vasp.6.2.1 16May21 (build Apr 11 2022 11:03:26) complex                        
  
 MD_VERSION_INFO: Compiled 2022-04-11T18:25:55-UTC in devlin.sd.materialsdesign.
 com:/home/medea2/data/build/vasp6.2.1/16685/x86_64/src/src/build/gpu from svn 1
 6685
 
 This VASP executable licensed from Materials Design, Inc.
 
 executed on                        Lin64 date 2025.08.16  11:15:24
 running on    4 total cores
 distrk:  each k-point on    4 cores,    1 groups
 distr:  one band on NCORE=   1 cores,    4 groups


--------------------------------------------------------------------------------------------------------


 INCAR:
   SYSTEM = Opt_BPDATFMB12
   PREC = Accurate
   ENCUT = 400.000
   IBRION = 2
   NSW = 100
   ISIF = 2
   NELMIN = 2
   EDIFF = 1.0e-05
   EDIFFG = -0.02
   VOSKOWN = 1
   NBLOCK = 1
   NWRITE = 1
   NELM = 60
   ALGO = Normal (blocked Davidson)
   ISPIN = 1
   INIWAV = 1
   ISTART = 0
   ICHARG = 2
   LWAVE = .FALSE.
   LCHARG = .FALSE.
   ADDGRID = .FALSE.
   ISMEAR = 1
   SIGMA = 0.2
   LREAL = Auto
   LSCALAPACK = .FALSE.
   RWIGS = 0.77 0.32 0.75 0.73 0.72
   NPAR = 4

 POTCAR:    PAW_PBE C 08Apr2002                   
 POTCAR:    PAW_PBE H 15Jun2001                   
 POTCAR:    PAW_PBE N 08Apr2002                   
 POTCAR:    PAW_PBE O 08Apr2002                   
 POTCAR:    PAW_PBE F 08Apr2002                   
 POTCAR:    PAW_PBE C 08Apr2002                   
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           4
   number of lm-projection operators is LMMAX =           8
 
 POTCAR:    PAW_PBE H 15Jun2001                   
  local pseudopotential read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           3
   number of lm-projection operators is LMMAX =           5
 
 POTCAR:    PAW_PBE N 08Apr2002                   
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           4
   number of lm-projection operators is LMMAX =           8
 
 POTCAR:    PAW_PBE O 08Apr2002                   
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density read in
  kinetic energy density of atom read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           4
   number of lm-projection operators is LMMAX =           8
 
 POTCAR:    PAW_PBE F 08Apr2002                   
  local pseudopotential read in
  partial core-charges read in
  partial kinetic energy density read in
  atomic valenz-charges read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           0  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
  non local Contribution for L=           1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =           4
   number of lm-projection operators is LMMAX =           8
 
 Optimization of the real space projectors (new method)

 maximal supplied QI-value         = 25.13
 optimisation between [QCUT,QGAM] = [ 10.05, 20.36] = [ 28.30,116.06] Ry 
 Optimized for a Real-space Cutoff    1.51 Angstroem

   l    n(q)    QCUT    max X(q) W(low)/X(q) W(high)/X(q)  e(spline) 
   0      9    10.053   115.676    0.19E-03    0.21E-03    0.38E-06
   0      9    10.053    87.132    0.19E-03    0.21E-03    0.38E-06
   1      9    10.053     4.429    0.87E-04    0.11E-03    0.39E-06
   1      9    10.053     2.733    0.59E-04    0.62E-04    0.43E-06
 Optimization of the real space projectors (new method)

 maximal supplied QI-value         = 34.20
 optimisation between [QCUT,QGAM] = [  9.92, 20.18] = [ 27.55,114.04] Ry 
 Optimized for a Real-space Cutoff    1.34 Angstroem

   l    n(q)    QCUT    max X(q) W(low)/X(q) W(high)/X(q)  e(spline) 
   0      8     9.919    19.460    0.16E-03    0.20E-03    0.36E-06
   0      8     9.919    12.209    0.16E-03    0.20E-03    0.35E-06
   1      8     9.919     4.655    0.19E-03    0.46E-03    0.40E-06
 Optimization of the real space projectors (new method)

 maximal supplied QI-value         = 25.13
 optimisation between [QCUT,QGAM] = [ 10.05, 20.36] = [ 28.30,116.06] Ry 
 Optimized for a Real-space Cutoff    1.70 Angstroem

   l    n(q)    QCUT    max X(q) W(low)/X(q) W(high)/X(q)  e(spline) 
   0     10    10.053    79.467    0.61E-04    0.98E-04    0.61E-06
   0     10    10.053    66.151    0.60E-04    0.98E-04    0.61E-06
   1     10    10.053     8.350    0.17E-03    0.71E-03    0.45E-05
   1     10    10.053     5.531    0.18E-03    0.77E-03    0.49E-05
 Optimization of the real space projectors (new method)

 maximal supplied QI-value         = 24.76
 optimisation between [QCUT,QGAM] = [ 10.15, 20.30] = [ 28.85,115.39] Ry 
 Optimized for a Real-space Cutoff    1.51 Angstroem

   l    n(q)    QCUT    max X(q) W(low)/X(q) W(high)/X(q)  e(spline) 
   0      9    10.150    20.381    0.17E-03    0.18E-03    0.41E-06
   0      9    10.150    15.268    0.18E-03    0.20E-03    0.43E-06
   1      9    10.150     5.964    0.16E-03    0.20E-03    0.36E-06
   1      9    10.150     5.382    0.13E-03    0.16E-03    0.33E-06
 Optimization of the real space projectors (new method)

 maximal supplied QI-value         = 24.76
 optimisation between [QCUT,QGAM] = [ 10.15, 20.30] = [ 28.85,115.39] Ry 
 Optimized for a Real-space Cutoff    1.46 Angstroem

   l    n(q)    QCUT    max X(q) W(low)/X(q) W(high)/X(q)  e(spline) 
   0      9    10.150    14.049    0.16E-03    0.14E-03    0.30E-06
   0      9    10.150     8.945    0.22E-03    0.20E-03    0.38E-06
   1      8    10.150     7.086    0.14E-03    0.29E-03    0.31E-06
   1      8    10.150     6.747    0.12E-03    0.26E-03    0.29E-06
  PAW_PBE C 08Apr2002                   :
 energy of atom  1       EATOM= -147.1560
 kinetic energy error for atom=    0.0288 (will be added to EATOM!!)
  PAW_PBE H 15Jun2001                   :
 energy of atom  2       EATOM=  -12.4884
 kinetic energy error for atom=    0.0098 (will be added to EATOM!!)
  PAW_PBE N 08Apr2002                   :
 energy of atom  3       EATOM= -264.5486
 kinetic energy error for atom=    0.0736 (will be added to EATOM!!)
  PAW_PBE O 08Apr2002                   :
 energy of atom  4       EATOM= -432.3788
 kinetic energy error for atom=    0.1156 (will be added to EATOM!!)
  PAW_PBE F 08Apr2002                   :
 energy of atom  5       EATOM= -659.6475
 kinetic energy error for atom=    0.1978 (will be added to EATOM!!)
 
 
 POSCAR: Opt_BPDATFMB12
  positions in direct lattice
  No initial velocities read in
 exchange correlation table for  LEXCH =        8
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000
 


--------------------------------------------------------------------------------------------------------


 ion  position               nearest neighbor table
   1  0.591  0.151  0.065-   4 1.37   2 1.38   7 1.55
   2  0.581  0.171  0.126-   1 1.38   3 1.41   8 1.56
   3  0.582  0.236  0.142- 361 1.09   2 1.41   6 1.43
   4  0.601  0.193  0.016- 362 1.09   1 1.37   5 1.41
   5  0.604  0.257  0.030- 363 1.08   4 1.41   6 1.42
   6  0.596  0.280  0.093-   5 1.42   3 1.43   9 1.55
   7  0.589  0.079  0.062- 507 1.50 532 1.50   1 1.55
   8  0.571  0.113  0.169- 531 1.50 507 1.54   2 1.56
   9  0.603  0.351  0.104-  10 1.42  12 1.44   6 1.55
  10  0.595  0.379  0.165- 364 1.09  11 1.40   9 1.42
  11  0.605  0.444  0.170-  14 1.38  10 1.40  16 1.54
  12  0.618  0.391  0.051- 365 1.09  13 1.42   9 1.44
  13  0.627  0.457  0.059- 366 1.09  14 1.38  12 1.42
  14  0.621  0.481  0.119-  13 1.38  11 1.38  15 1.56
  15  0.630  0.550  0.141- 508 1.50 534 1.50  14 1.56
  16  0.601  0.485  0.230- 533 1.50 508 1.52  11 1.54
  17  0.623  0.609  0.253-  18 1.39  20 1.41 508 1.52
  18  0.610  0.603  0.317- 368 1.09  17 1.39  19 1.39
  19  0.616  0.654  0.357- 367 1.08  18 1.39  22 1.40
  20  0.641  0.668  0.229- 369 1.09  21 1.41  17 1.41
  21  0.646  0.720  0.269-  22 1.41  20 1.41  30 1.55
  22  0.633  0.713  0.333-  19 1.40  21 1.41  23 1.55
  23  0.640  0.770  0.379-  26 1.40  24 1.40  22 1.55
  24  0.620  0.763  0.442-  25 1.39  23 1.40  29 1.54
  25  0.628  0.812  0.484- 370 1.09  24 1.39  28 1.40
  26  0.664  0.827  0.358- 371 1.09  27 1.40  23 1.40
  27  0.672  0.877  0.401- 372 1.09  26 1.40  28 1.41
  28  0.654  0.869  0.464- 505 1.09  25 1.40  27 1.41
  29  0.591  0.700  0.464- 582 1.49 583 1.49 584 1.49  24 1.54
  30  0.665  0.785  0.242- 581 1.49 580 1.49 579 1.49  21 1.55
  31  0.458  0.182  0.228-  34 1.36  32 1.37  37 1.51
  32  0.471  0.225  0.182-  33 1.37  31 1.37  38 1.55
  33  0.475  0.288  0.195- 373 1.09  32 1.37  36 1.43
  34  0.449  0.198  0.290- 374 1.09  31 1.36  35 1.40
  35  0.454  0.261  0.306- 375 1.09  34 1.40  36 1.43
  36  0.469  0.307  0.259-  33 1.43  35 1.43  39 1.53
  37  0.456  0.116  0.201- 536 1.50 509 1.50  31 1.51
  38  0.480  0.190  0.118- 535 1.51 509 1.51  32 1.55
  39  0.477  0.376  0.278-  40 1.41  42 1.44  36 1.53
  40  0.495  0.421  0.232- 376 1.09  41 1.38  39 1.41
  41  0.501  0.483  0.251-  44 1.38  40 1.38  46 1.54
  42  0.466  0.395  0.342- 377 1.09  43 1.42  39 1.44
  43  0.472  0.460  0.359- 378 1.09  44 1.38  42 1.42
  44  0.489  0.502  0.312-  41 1.38  43 1.38  45 1.55
  45  0.498  0.574  0.316- 538 1.50 510 1.51  44 1.55
  46  0.520  0.540  0.211- 537 1.50 510 1.50  41 1.54
  47  0.531  0.664  0.234-  50 1.39  48 1.40 510 1.51
  48  0.550  0.679  0.172- 380 1.09  49 1.40  47 1.40
  49  0.561  0.741  0.156- 379 1.08  48 1.40  52 1.40
  50  0.524  0.711  0.278- 381 1.09  47 1.39  51 1.39
  51  0.533  0.774  0.261-  50 1.39  52 1.41  60 1.55
  52  0.552  0.789  0.200-  49 1.40  51 1.41  53 1.54
  53  0.563  0.858  0.181-  56 1.40  54 1.41  52 1.54
  54  0.579  0.874  0.118-  55 1.40  53 1.41  59 1.55 596 1.68
  55  0.582  0.938  0.100- 382 1.09  54 1.40  58 1.41
  56  0.556  0.906  0.226- 383 1.08  57 1.40  53 1.40
  57  0.561  0.969  0.208- 384 1.09  58 1.39  56 1.40
  58  0.573  0.985  0.146-  57 1.39  55 1.41 507 1.53
  59  0.592  0.823  0.068- 588 1.49 589 1.49 590 1.50  54 1.55
  60  0.521  0.826  0.311- 585 1.49 587 1.49 586 1.49  51 1.55
  61  0.457  0.341  0.684-  62 1.38  64 1.38  67 1.55
  62  0.451  0.362  0.745-  61 1.38  63 1.40  68 1.55
  63  0.457  0.425  0.762- 385 1.09  62 1.40  66 1.43
  64  0.470  0.382  0.635- 386 1.09  61 1.38  65 1.43
  65  0.476  0.447  0.649- 387 1.09  64 1.43  66 1.45
  66  0.469  0.469  0.713-  63 1.43  65 1.45  69 1.56
  67  0.448  0.269  0.681- 540 1.50 511 1.51  61 1.55
  68  0.438  0.305  0.788- 539 1.49 511 1.51  62 1.55
  69  0.477  0.541  0.727-  72 1.43  70 1.44  66 1.56
  70  0.470  0.566  0.790- 388 1.09  71 1.40  69 1.44
  71  0.477  0.631  0.798-  74 1.38  70 1.40  76 1.56
  72  0.491  0.583  0.676- 389 1.09  73 1.41  69 1.43
  73  0.498  0.648  0.687- 390 1.09  74 1.38  72 1.41
  74  0.490  0.670  0.748-  73 1.38  71 1.38  75 1.54
  75  0.494  0.739  0.770- 542 1.50 512 1.52  74 1.54
  76  0.473  0.670  0.859- 541 1.50 512 1.53  71 1.56
  77  0.482  0.798  0.884-  78 1.41  80 1.42 512 1.56
  78  0.474  0.792  0.949- 392 1.09  77 1.41  79 1.41
  79  0.472  0.846  0.988- 391 1.08  82 1.40  78 1.41
  80  0.490  0.859  0.858- 393 1.09  81 1.41  77 1.42
  81  0.490  0.913  0.897-  82 1.41  80 1.41  90 1.55
  82  0.481  0.906  0.962-  79 1.40  81 1.41  83 1.55
  83  0.481  0.964  0.006-  84 1.40  86 1.40  82 1.55
  84  0.469  0.956  0.070-  85 1.38  83 1.40  89 1.53
  85  0.468  0.007  0.110- 394 1.09  84 1.38  88 1.39
  86  0.493  0.024  0.983- 395 1.08  87 1.40  83 1.40
  87  0.491  0.076  0.024- 396 1.09  88 1.40  86 1.40
  88  0.477  0.067  0.087-  85 1.39  87 1.40 509 1.50
  89  0.457  0.890  0.097- 596 1.49 594 1.49 595 1.49  84 1.53
  90  0.499  0.978  0.867- 593 1.49 592 1.49 591 1.49  81 1.55
  91  0.341  0.358  0.827-  94 1.38  92 1.38  97 1.55
  92  0.355  0.401  0.781-  91 1.38  93 1.40  98 1.56
  93  0.359  0.466  0.794- 397 1.09  92 1.40  96 1.44
  94  0.332  0.375  0.889- 398 1.09  91 1.38  95 1.42
  95  0.334  0.439  0.904- 399 1.09  94 1.42  96 1.43
  96  0.347  0.486  0.857-  95 1.43  93 1.44  99 1.57
  97  0.338  0.291  0.799- 544 1.50 513 1.50  91 1.55
  98  0.363  0.366  0.717- 543 1.50 513 1.53  92 1.56
  99  0.348  0.557  0.877- 100 1.43 102 1.45  96 1.57
 100  0.365  0.605  0.834- 400 1.09 101 1.40  99 1.43
 101  0.364  0.667  0.856- 104 1.38 100 1.40 106 1.55
 102  0.330  0.573  0.940- 401 1.09 103 1.42  99 1.45
 103  0.329  0.637  0.959- 402 1.09 104 1.37 102 1.42
 104  0.346  0.682  0.916- 103 1.37 101 1.38 105 1.54
 105  0.348  0.754  0.926- 546 1.50 514 1.51 104 1.54
 106  0.381  0.728  0.820- 545 1.50 514 1.52 101 1.55
 107  0.380  0.853  0.850- 108 1.39 110 1.41 514 1.54
 108  0.407  0.870  0.793- 404 1.09 107 1.39 109 1.40
 109  0.417  0.934  0.779- 403 1.09 112 1.40 108 1.40
 110  0.363  0.900  0.894- 405 1.09 111 1.41 107 1.41
 111  0.372  0.964  0.880- 110 1.41 112 1.41 120 1.53
 112  0.398  0.981  0.821- 109 1.40 111 1.41 113 1.57
 113  0.409  0.052  0.803- 114 1.40 116 1.41 112 1.57
 114  0.421  0.068  0.740- 115 1.40 113 1.40 119 1.54
 115  0.431  0.131  0.723- 406 1.09 118 1.39 114 1.40
 116  0.405  0.100  0.849- 407 1.09 113 1.41 117 1.42
 117  0.415  0.163  0.831- 408 1.09 118 1.41 116 1.42
 118  0.427  0.178  0.768- 115 1.39 117 1.41 511 1.53
 119  0.424  0.016  0.690- 601 1.48 600 1.50 602 1.50 114 1.54 608 1.75
 120  0.353  0.014  0.928- 597 1.48 598 1.49 599 1.49 111 1.53
 121  0.332  0.512  0.288- 124 1.37 122 1.38 127 1.55
 122  0.323  0.534  0.348- 121 1.38 123 1.40 128 1.55
 123  0.328  0.598  0.363- 409 1.09 122 1.40 126 1.43
 124  0.348  0.551  0.239- 410 1.09 121 1.37 125 1.41
 125  0.354  0.616  0.251- 411 1.09 124 1.41 126 1.44
 126  0.343  0.640  0.313- 123 1.43 125 1.44 129 1.55
 127  0.323  0.440  0.286- 548 1.50 515 1.51 121 1.55
 128  0.307  0.478  0.392- 547 1.49 515 1.52 122 1.55
 129  0.349  0.712  0.325- 130 1.43 132 1.43 126 1.55
 130  0.335  0.740  0.384- 412 1.09 131 1.40 129 1.43
 131  0.341  0.805  0.389- 134 1.38 130 1.40 136 1.56
 132  0.368  0.751  0.273- 413 1.09 133 1.41 129 1.43
 133  0.373  0.817  0.281- 414 1.09 134 1.38 132 1.41
 134  0.361  0.842  0.339- 131 1.38 133 1.38 135 1.55
 135  0.365  0.912  0.360- 550 1.50 516 1.52 134 1.55
 136  0.328  0.848  0.447- 549 1.50 516 1.52 131 1.56
 137  0.342  0.974  0.471- 138 1.40 140 1.41 516 1.55
 138  0.318  0.969  0.532- 416 1.09 137 1.40 139 1.41
 139  0.317  0.022  0.572- 415 1.08 142 1.40 138 1.41
 140  0.362  0.032  0.449- 417 1.09 137 1.41 141 1.42
 141  0.360  0.086  0.488- 142 1.41 140 1.42 150 1.53
 142  0.340  0.080  0.551- 139 1.40 141 1.41 143 1.58
 143  0.341  0.138  0.598- 146 1.41 144 1.41 142 1.58
 144  0.324  0.131  0.661- 145 1.40 143 1.41 149 1.53
 145  0.327  0.182  0.703- 418 1.09 144 1.40 148 1.40
 146  0.361  0.198  0.576- 419 1.09 143 1.41 147 1.42 609 1.68
 147  0.364  0.250  0.618- 420 1.09 148 1.41 146 1.42
 148  0.347  0.241  0.682- 145 1.40 147 1.41 513 1.54
 149  0.301  0.067  0.686- 608 1.48 607 1.49 606 1.49 144 1.53
 150  0.382  0.150  0.463- 605 1.49 603 1.49 604 1.49 141 1.53
 151  0.190  0.543  0.508- 152 1.38 154 1.39 157 1.55
 152  0.177  0.584  0.460- 151 1.38 153 1.40 158 1.57
 153  0.180  0.649  0.468- 421 1.09 152 1.40 156 1.43
 154  0.206  0.564  0.568- 422 1.09 151 1.39 155 1.42
 155  0.208  0.629  0.579- 423 1.09 154 1.42 156 1.44
 156  0.197  0.673  0.529- 153 1.43 155 1.44 159 1.55
 157  0.185  0.474  0.484- 552 1.50 517 1.52 151 1.55
 158  0.159  0.546  0.399- 551 1.50 517 1.52 152 1.57
 159  0.202  0.744  0.541- 160 1.42 162 1.44 156 1.55
 160  0.197  0.788  0.490- 424 1.09 161 1.38 159 1.42
 161  0.206  0.851  0.504- 164 1.37 160 1.38 166 1.55
 162  0.213  0.767  0.604- 425 1.09 163 1.42 159 1.44
 163  0.219  0.832  0.615- 426 1.09 164 1.37 162 1.42
 164  0.215  0.872  0.564- 163 1.37 161 1.37 165 1.54
 165  0.222  0.945  0.564- 554 1.50 518 1.50 164 1.54
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 167  0.225  0.034  0.474- 170 1.40 168 1.40 518 1.54
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 169  0.250  0.109  0.391- 427 1.08 172 1.41 168 1.41
 170  0.225  0.083  0.518- 429 1.09 167 1.40 171 1.40
 171  0.236  0.145  0.498- 170 1.40 172 1.42 180 1.55
 172  0.251  0.158  0.435- 169 1.41 171 1.42 173 1.57
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 183  0.086  0.761  0.104- 433 1.09 182 1.44 186 1.47
 184  0.047  0.719  0.982- 434 1.09 181 1.36 185 1.40
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 189  0.052  0.878  0.070- 190 1.43 192 1.45 186 1.57
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 199  0.113  0.194  0.291- 439 1.08 198 1.38 202 1.41
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 479  0.069  0.579  0.737- 296 1.08
 480  0.031  0.688  0.720- 297 1.09
 481  0.842  0.127  0.332- 303 1.09
 482  0.684  0.040  0.180- 304 1.09
 483  0.686  0.156  0.201- 305 1.09
 484  0.843  0.220  0.348- 310 1.09
 485  0.689  0.242  0.213- 312 1.09
 486  0.689  0.359  0.234- 313 1.09
 487  0.963  0.517  0.514- 319 1.08
 488  0.921  0.425  0.455- 318 1.09
 489  0.789  0.546  0.360- 320 1.09
 490  0.050  0.675  0.607- 325 1.09
 491  0.864  0.710  0.468- 326 1.09
 492  0.914  0.801  0.524- 327 1.09
 493  0.910  0.208  0.249- 333 1.09
 494  0.995  0.030  0.379- 334 1.09
 495  0.011  0.142  0.416- 335 1.09
 496  0.927  0.290  0.272- 340 1.09
 497  0.018  0.229  0.445- 342 1.09
 498  0.035  0.343  0.475- 343 1.09
 499  0.867  0.639  0.225- 349 1.08
 500  0.895  0.527  0.243- 348 1.09
 501  0.004  0.581  0.407- 350 1.09
 502  0.801  0.831  0.200- 355 1.09
 503  0.952  0.781  0.373- 356 1.09
 504  0.912  0.890  0.359- 357 1.09
 505  0.661  0.907  0.498-  28 1.09
 506  0.876  0.979  0.171- 529 1.07
 507  0.577  0.055  0.127-   7 1.50  58 1.53   8 1.54
 508  0.619  0.552  0.210-  15 1.50  17 1.52  16 1.52
 509  0.472  0.121  0.132-  37 1.50  88 1.50  38 1.51
 510  0.517  0.597  0.252-  46 1.50  45 1.51  47 1.51
 511  0.437  0.247  0.747-  67 1.51  68 1.51 118 1.53
 512  0.483  0.739  0.840-  75 1.52  76 1.53  77 1.56
 513  0.349  0.296  0.729-  97 1.50  98 1.53 148 1.54
 514  0.370  0.783  0.864- 105 1.51 106 1.52 107 1.54
 515  0.307  0.419  0.352- 127 1.51 128 1.52 178 1.54
 516  0.345  0.915  0.429- 135 1.52 136 1.52 137 1.55
 517  0.164  0.477  0.416- 157 1.52 158 1.52 208 1.54
 518  0.217  0.966  0.497- 165 1.50 166 1.52 167 1.54
 519  0.108  0.579  0.073- 187 1.49 188 1.56 238 1.58
 520  0.065  0.084  0.162- 197 1.49 195 1.49 196 1.51
 521  0.160  0.597  0.959- 217 1.51 218 1.55 268 1.56
 522  0.189  0.092  0.104- 225 1.52 226 1.54 227 1.57
 523  0.925  0.725  0.658- 247 1.50 248 1.50 298 1.51
 524  0.959  0.213  0.736- 256 1.52 255 1.52 257 1.54
 525  0.021  0.797  0.601- 277 1.50 278 1.51 328 1.52
 526  0.081  0.275  0.711- 286 1.51 285 1.51 287 1.53
 527  0.826  0.933  0.273- 307 1.50 308 1.52 358 1.52
 528  0.825  0.422  0.370- 315 1.51 316 1.51 317 1.53
 529  0.893  0.012  0.205- 506 1.07 338 1.50 337 1.51
 530  0.960  0.477  0.341- 346 1.51 345 1.51 347 1.53
 531  0.558  0.114  0.238-   8 1.50
 532  0.599  0.039  0.004-   7 1.50
 533  0.585  0.463  0.295-  16 1.50
 534  0.648  0.606  0.100-  15 1.50
 535  0.493  0.220  0.055-  38 1.51
 536  0.442  0.057  0.236-  37 1.50
 537  0.538  0.539  0.143-  46 1.50
 538  0.488  0.614  0.374-  45 1.50
 539  0.429  0.306  0.858-  68 1.49
 540  0.450  0.228  0.623-  67 1.50
 541  0.460  0.646  0.924-  76 1.50
 542  0.506  0.795  0.729-  75 1.50
 543  0.379  0.395  0.655-  98 1.50
 544  0.325  0.231  0.834-  97 1.50
 545  0.403  0.732  0.753- 106 1.50
 546  0.331  0.788  0.985- 105 1.50
 547  0.293  0.482  0.461- 128 1.49
 548  0.329  0.399  0.228- 127 1.50
 549  0.304  0.826  0.510- 136 1.50
 550  0.386  0.966  0.320- 135 1.50
 551  0.141  0.573  0.337- 158 1.50
 552  0.197  0.416  0.522- 157 1.50
 553  0.198  0.903  0.388- 166 1.50
 554  0.233  0.985  0.620- 165 1.50 607 1.69
 555  0.146  0.633  0.184- 188 1.50
 556  0.064  0.572  0.957- 187 1.49 267 1.64 268 1.78
 557  0.106  0.000  0.248- 196 1.51
 558  0.021  0.131  0.054- 195 1.50
 559  0.093  0.695  0.908- 218 1.51
 560  0.242  0.536  0.032- 217 1.50
 561  0.118  0.045  0.009- 226 1.50
 562  0.275  0.094  0.197- 225 1.50
 563  0.018  0.790  0.711- 248 1.50
 564  0.819  0.700  0.594- 247 1.51
 565  0.045  0.124  0.763- 256 1.51
 566  0.854  0.266  0.688- 255 1.49
 567  0.958  0.899  0.560- 278 1.50
 568  0.104  0.727  0.664- 277 1.50
 569  0.990  0.218  0.643- 286 1.51
 570  0.186  0.289  0.779- 285 1.50
 571  0.898  0.997  0.356- 308 1.50
 572  0.737  0.910  0.187- 307 1.50
 573  0.898  0.331  0.420- 316 1.49
 574  0.736  0.477  0.300- 315 1.50
 575  0.854  0.120  0.153- 338 1.50
 576  0.947  0.932  0.287- 337 1.50
 577  0.908  0.426  0.238- 346 1.50
 578  0.018  0.484  0.454- 345 1.50 644 1.58
 579  0.616  0.833  0.257-  30 1.49 585 1.72
 580  0.727  0.805  0.269-  30 1.49
 581  0.671  0.781  0.172-  30 1.49
 582  0.559  0.710  0.525-  29 1.49
 583  0.544  0.679  0.416-  29 1.49
 584  0.642  0.652  0.472-  29 1.49
 585  0.581  0.859  0.325-  60 1.49 579 1.72
 586  0.475  0.873  0.285-  60 1.49
 587  0.495  0.798  0.369-  60 1.49
 588  0.606  0.853  0.007-  59 1.49
 589  0.648  0.785  0.088-  59 1.49
 590  0.536  0.780  0.061-  59 1.50 596 1.62
 591  0.450  0.023  0.890-  90 1.49
 592  0.562  0.003  0.883-  90 1.49
 593  0.493  0.973  0.797-  90 1.49
 594  0.446  0.895  0.166-  89 1.49
 595  0.399  0.863  0.067-  89 1.49
 596  0.512  0.849  0.085-  89 1.49 590 1.62  54 1.68
 597  0.410  0.036  0.962- 120 1.48
 598  0.323  0.068  0.894- 120 1.49
 599  0.308  0.986  0.973- 120 1.49
 600  0.410  0.044  0.627- 119 1.50 608 1.70
 601  0.488  0.988  0.689- 119 1.48
 602  0.377  0.966  0.705- 119 1.50 608 1.51
 603  0.329  0.196  0.467- 150 1.49
 604  0.436  0.173  0.501- 150 1.49
 605  0.402  0.143  0.396- 150 1.49
 606  0.298  0.069  0.756- 149 1.49
 607  0.237  0.054  0.661- 149 1.49 554 1.69
 608  0.345  0.017  0.666- 149 1.48 602 1.51 600 1.70 119 1.75
 609  0.294  0.232  0.552- 180 1.49 146 1.68
 610  0.183  0.245  0.529- 180 1.49 618 1.69
 611  0.217  0.172  0.610- 180 1.49
 612  0.312  0.209  0.241- 179 1.49
 613  0.334  0.136  0.326- 179 1.49
 614  0.226  0.155  0.293- 179 1.50 620 1.64
 615  0.016  0.359  0.222- 210 1.49
 616  0.111  0.356  0.157- 210 1.48 233 1.65
 617  0.013  0.310  0.118- 210 1.49
 618  0.190  0.248  0.450- 209 1.48 610 1.69 176 1.70
 619  0.096  0.208  0.401- 209 1.49
 620  0.197  0.204  0.346- 209 1.49 614 1.64
 621  0.260  0.358  0.167- 240 1.49
 622  0.161  0.353  0.223- 240 1.49 206 1.67
 623  0.243  0.277  0.246- 240 1.49
 624  0.063  0.391  0.931- 239 1.49
 625  0.138  0.312  0.967- 631 1.46 239 1.49
 626  0.033  0.317  0.013- 239 1.49
 627  0.935  0.457  0.871- 270 1.50
 628  0.988  0.496  0.777- 270 1.49
 629  0.891  0.437  0.768- 270 1.48 638 1.64
 630  0.218  0.364  0.944- 269 1.49
 631  0.126  0.312  0.899- 625 1.46 269 1.50
 632  0.206  0.357  0.830- 269 1.49
 633  0.134  0.548  0.715- 300 1.48
 634  0.067  0.543  0.807- 300 1.49 266 1.58 267 1.71
 635  0.160  0.477  0.800- 300 1.49
 636  0.827  0.517  0.616- 299 1.49
 637  0.920  0.457  0.587- 299 1.49 643 1.60
 638  0.877  0.448  0.692- 299 1.49 629 1.64
 639  0.796  0.684  0.471- 330 1.49
 640  0.876  0.700  0.391- 330 1.49
 641  0.776  0.653  0.363- 330 1.49
 642  0.057  0.569  0.608- 329 1.49
 643  0.955  0.523  0.582- 329 1.49 637 1.60
 644  0.033  0.540  0.500- 329 1.48 578 1.58
 645  0.018  0.760  0.356- 360 1.49
 646  0.943  0.738  0.439- 360 1.49 326 1.68
 647  0.042  0.682  0.435- 360 1.49
 648  0.803  0.739  0.143- 359 1.49
 649  0.895  0.677  0.170- 359 1.49
 650  0.796  0.661  0.226- 359 1.49
 
  LATTYP: Found a simple cubic cell.
 ALAT       =    21.2589249000
  
  Lattice vectors:
  
 A1 = (  21.2589249000,   0.0000000000,   0.0000000000)
 A2 = (   0.0000000000,  21.2589249000,   0.0000000000)
 A3 = (   0.0000000000,   0.0000000000,  21.2589249000)


Analysis of symmetry for initial positions (statically):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple cubic supercell.


 Subroutine GETGRP returns: Found  1 space group operations
 (whereof  1 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The static configuration has the point symmetry C_1 .


Analysis of symmetry for dynamics (positions and initial velocities):
=====================================================================
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

 Routine SETGRP: Setting up the symmetry group for a 
 simple cubic supercell.


 Subroutine GETGRP returns: Found  1 space group operations
 (whereof  1 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The dynamic configuration has the point symmetry C_1 .


 Subroutine INISYM returns: Found  1 space group operations
 (whereof  1 operations are pure point group operations),
 and found     1 'primitive' translations


----------------------------------------------------------------------------------------

                                     Primitive cell                                     

  volume of cell :    9607.7987

  direct lattice vectors                    reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067

  position of ions in fractional coordinates (direct lattice)
     0.591471490  0.151452100  0.064956130
     0.581488540  0.171444880  0.125846730
     0.582352710  0.235644580  0.142066750
     0.601362740  0.192546420  0.016455290
     0.604267740  0.257247620  0.030056570
     0.596124320  0.279511560  0.092712610
     0.589371120  0.078718890  0.061534860
     0.570769890  0.113216110  0.168817550
     0.602894970  0.351414600  0.104102770
     0.595428970  0.379050400  0.164710820
     0.605186420  0.443882380  0.169926200
     0.618262510  0.390697350  0.051066100
     0.626811630  0.456544200  0.059013990
     0.621075500  0.480986210  0.118945090
     0.630431240  0.550373270  0.140810720
     0.601424670  0.485125950  0.229632860
     0.623366110  0.608959610  0.253097100
     0.610288940  0.602675720  0.316632960
     0.615643280  0.654167410  0.356645290
     0.641260080  0.667853150  0.228507600
     0.646045830  0.720358560  0.268545290
     0.633275600  0.713278660  0.333083890
     0.639505270  0.769571320  0.378922000
     0.620490970  0.762561210  0.441805690
     0.627927810  0.811932580  0.484356560
     0.664010420  0.827332650  0.358277320
     0.671690880  0.876933510  0.401058310
     0.654192010  0.868957080  0.464410460
     0.591176600  0.700344860  0.463958730
     0.665379610  0.785341460  0.241510510
     0.458479630  0.181721250  0.228352060
     0.471264780  0.224996790  0.182039520
     0.475053110  0.288257420  0.194871540
     0.449264610  0.197766820  0.289713870
     0.454313830  0.261163850  0.306361750
     0.468884830  0.307089070  0.259125770
     0.456442570  0.116146900  0.200845840
     0.479530310  0.190418180  0.118123900
     0.476714680  0.376124970  0.277853380
     0.495418830  0.420911440  0.232386590
     0.501137660  0.482643710  0.251106370
     0.465608060  0.395441930  0.341897380
     0.472457030  0.459805220  0.358705630
     0.489119960  0.501760760  0.311760150
     0.497552290  0.573921240  0.316489840
     0.520185920  0.539877870  0.210662560
     0.530698220  0.663950020  0.233725220
     0.549581840  0.678687900  0.172299540
     0.561258090  0.741139710  0.155680760
     0.523677310  0.711206410  0.278162010
     0.532586680  0.773981960  0.261315680
     0.552042930  0.789108230  0.199629120
     0.563128670  0.858315990  0.180678930
     0.578649670  0.874292300  0.118044590
     0.581617470  0.937770800  0.100488880
     0.555996310  0.905827710  0.225709010
     0.561010470  0.969112730  0.208468720
     0.572846880  0.985437270  0.146038990
     0.591841100  0.822500450  0.068110450
     0.521008520  0.826376740  0.310669940
     0.457081900  0.341426210  0.683641770
     0.451079450  0.361799960  0.744868030
     0.456523850  0.425158130  0.761648440
     0.469536250  0.382114370  0.634646340
     0.475621060  0.447466770  0.648656970
     0.469386850  0.469356780  0.712876000
     0.448021380  0.269009610  0.680828930
     0.438080520  0.304633490  0.788251080
     0.477086950  0.540857730  0.727197280
     0.470307180  0.565667900  0.789807490
     0.477454960  0.630634770  0.797642690
     0.491250000  0.582736840  0.676244470
     0.498166450  0.647778410  0.687361670
     0.490233090  0.669767510  0.747686200
     0.494049420  0.738674780  0.770045710
     0.472512150  0.670498570  0.859259850
     0.482322580  0.798136600  0.883894270
     0.473585990  0.791885040  0.949155790
     0.471878120  0.845617810  0.987698410
     0.490452400  0.858768230  0.857661800
     0.489657320  0.912594570  0.896561820
     0.480841000  0.905814180  0.961960010
     0.480967980  0.963833780  0.006315090
     0.468868150  0.955587640  0.070493320
     0.467516510  0.006693930  0.110402310
     0.492657510  0.024448910  0.982936110
     0.490827300  0.076176910  0.023792370
     0.476643050  0.066918000  0.087250480
     0.456555150  0.889974520  0.097232880
     0.498665040  0.978389320  0.866652990
     0.341281030  0.357686790  0.827119700
     0.354978980  0.400848770  0.780852670
     0.359157550  0.465532490  0.793644420
     0.332289980  0.374672020  0.888924420
     0.333772920  0.439376350  0.904470120
     0.347258640  0.485584970  0.857172550
     0.337920460  0.290846480  0.798753630
     0.362883780  0.365884330  0.716644280
     0.347650160  0.556586430  0.876626720
     0.364881710  0.605086420  0.833523850
     0.363871750  0.667068170  0.855519880
     0.330103180  0.573364280  0.940197800
     0.329288410  0.637380970  0.959084200
     0.345853400  0.682042190  0.915917740
     0.347847800  0.754041680  0.925583680
     0.380779210  0.727969150  0.819590240
     0.380019120  0.853016830  0.850166990
     0.407155390  0.870495510  0.793103850
     0.416632650  0.934285210  0.778664680
     0.362722630  0.899739620  0.893961480
     0.372218600  0.963795110  0.879615220
     0.398248010  0.981210190  0.821046140
     0.408887600  0.051926490  0.803185080
     0.421110870  0.067970650  0.740252220
     0.430741660  0.130754180  0.723077320
     0.405127990  0.099597920  0.848840520
     0.414691090  0.163110750  0.831341560
     0.427083100  0.178388630  0.767920410
     0.423963010  0.016326620  0.689778050
     0.353323930  0.013979810  0.927542390
     0.332293890  0.512020000  0.287669410
     0.322841300  0.533847340  0.347830600
     0.327814200  0.597524340  0.363034850
     0.347948660  0.551183620  0.238743870
     0.354440750  0.616143400  0.251280640
     0.343309680  0.640070530  0.313444290
     0.323028420  0.439905910  0.285509870
     0.306659960  0.477912400  0.391737250
     0.349067500  0.711809610  0.324592730
     0.334918480  0.739816770  0.384046890
     0.340603630  0.805121400  0.389039710
     0.368317070  0.750787760  0.273051420
     0.373411990  0.816613560  0.280869130
     0.360522320  0.841700330  0.339388720
     0.365049670  0.911623620  0.360126280
     0.327832790  0.847634290  0.447246880
     0.341541870  0.973687230  0.471006500
     0.317824360  0.968746950  0.532309260
     0.316709580  0.021766000  0.572274730
     0.362456920  0.032357530  0.448774570
     0.360429450  0.085869710  0.488459120
     0.339602170  0.080036590  0.551297170
     0.341125050  0.138258450  0.597547410
     0.323551890  0.131038490  0.661334060
     0.327112870  0.182140890  0.702900430
     0.361029710  0.197851760  0.576061810
     0.363699460  0.249667780  0.618265380
     0.347192720  0.241388730  0.681859250
     0.300786490  0.067190790  0.686075530
     0.381961430  0.149891410  0.463031800
     0.190237980  0.543069270  0.507922120
     0.176653250  0.584238390  0.459625620
     0.179599090  0.649482760  0.467669890
     0.205621800  0.563622700  0.567929160
     0.208436810  0.629442010  0.578965990
     0.196529590  0.672813950  0.528515120
     0.184742460  0.474269540  0.484188650
     0.159016530  0.546150140  0.399134740
     0.201569620  0.744376730  0.540874770
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     0.163600880  0.476798890  0.416129490
     0.216779470  0.966084790  0.496781150
     0.108358050  0.579289290  0.073129770
     0.065338970  0.083805830  0.161864650
     0.159846800  0.597107920  0.958792050
     0.189202380  0.092077640  0.103786200
     0.924524130  0.725118070  0.658255990
     0.958984330  0.213282050  0.736228230
     0.020957140  0.796744460  0.600717800
     0.080567700  0.274885910  0.710866930
     0.826388070  0.932872080  0.272964180
     0.825331490  0.421931930  0.370149350
     0.893331480  0.011898830  0.204672760
     0.960145930  0.476985310  0.341384890
     0.557670350  0.114274830  0.238235070
     0.598547050  0.039080790  0.003642510
     0.584842360  0.463029970  0.294579650
     0.648489340  0.605665320  0.100497890
     0.493254330  0.219631790  0.055030950
     0.442333380  0.057098590  0.236413770
     0.537715280  0.539087130  0.142558170
     0.487818710  0.613955750  0.373794930
     0.428600910  0.306432340  0.857602270
     0.449808420  0.228445970  0.623047700
     0.459588450  0.645968780  0.924315910
     0.506490000  0.794631300  0.729047890
     0.379024240  0.395170250  0.654638700
     0.324603690  0.231196300  0.833864730
     0.403325620  0.732146400  0.752938300
     0.331316420  0.788478270  0.984865790
     0.293484370  0.481531110  0.460706850
     0.329070270  0.398766930  0.228461170
     0.303973110  0.826442120  0.510275250
     0.385714360  0.965883920  0.319816640
     0.140502780  0.572914350  0.336520280
     0.196809790  0.415766270  0.522087020
     0.198142620  0.903422740  0.387903160
     0.232727300  0.985342850  0.620214610
     0.145623820  0.632896580  0.184476640
     0.063819190  0.572088560  0.957017440
     0.105558430  0.000067720  0.248093990
     0.020659530  0.131167330  0.054311950
     0.093228550  0.694622860  0.908386720
     0.241765440  0.535699470  0.032076400
     0.117544370  0.045213170  0.008934860
     0.274770240  0.093896900  0.197031210
     0.018464820  0.789802880  0.711366400
     0.818857490  0.699660670  0.594046830
     0.045435850  0.124051400  0.762621310
     0.854480010  0.265922350  0.687899810
     0.958468680  0.899195050  0.559903870
     0.104212280  0.726550550  0.663539780
     0.989956220  0.218220570  0.642913200
     0.186196430  0.289467360  0.778976430
     0.897500440  0.996930770  0.356138090
     0.737221120  0.909626610  0.186786490
     0.897663200  0.331030730  0.419878550
     0.736044430  0.477228530  0.299696380
     0.853988570  0.119849310  0.152821660
     0.947063440  0.932332640  0.287038150
     0.908260460  0.426045500  0.237717890
     0.017607940  0.484237310  0.453859280
     0.616420030  0.833078940  0.257499000
     0.726988450  0.804806840  0.268779410
     0.671363720  0.780995480  0.171820270
     0.558931900  0.710390470  0.525306720
     0.544395570  0.678563110  0.416396710
     0.641616470  0.652054700  0.471721110
     0.581310880  0.859012170  0.325344010
     0.474554800  0.872621860  0.285410150
     0.495356810  0.797766530  0.369378160
     0.605693510  0.852941230  0.006534490
     0.647528870  0.784801970  0.088093800
     0.535994260  0.780306260  0.061049150
     0.449562260  0.022779310  0.890296140
     0.562393690  0.002859760  0.882636760
     0.492897230  0.972793570  0.797129840
     0.446186320  0.894816160  0.166291160
     0.399381900  0.863233150  0.066870840
     0.511723550  0.848677640  0.084959520
     0.410085630  0.036007400  0.961751000
     0.323374880  0.067864030  0.894257790
     0.307647800  0.986412870  0.973220960
     0.409853260  0.044168810  0.626703120
     0.487973710  0.988496550  0.689032030
     0.376695230  0.966285130  0.704580190
     0.328967900  0.195663450  0.466691380
     0.435977280  0.173202130  0.501193130
     0.401894750  0.142633500  0.396351230
     0.297951450  0.069026960  0.756110710
     0.236992060  0.053667180  0.660602330
     0.345382620  0.017340300  0.666037930
     0.294092540  0.231862030  0.551914140
     0.182569970  0.244771030  0.529298280
     0.216513870  0.171685110  0.610396180
     0.311774420  0.209110790  0.240854160
     0.333958120  0.136278890  0.326124350
     0.225581930  0.155158620  0.293353210
     0.016362790  0.358681480  0.222170670
     0.110542630  0.356153940  0.157389600
     0.013472060  0.310454160  0.118473830
     0.190366520  0.248473000  0.450338560
     0.095826620  0.208231250  0.400815320
     0.196885340  0.203713910  0.345689960
     0.260382050  0.357704450  0.166984550
     0.160940920  0.352840380  0.223170050
     0.242953930  0.276665560  0.245828280
     0.063098930  0.391475890  0.931262440
     0.138019850  0.312014060  0.966816550
     0.033257500  0.316515030  0.012526860
     0.934519750  0.456859440  0.871196560
     0.988139480  0.495664020  0.776580350
     0.890890840  0.437025480  0.767520080
     0.218019610  0.363666930  0.943722340
     0.125756560  0.311598820  0.899448300
     0.205585730  0.356617670  0.830348910
     0.134342270  0.548208080  0.714656520
     0.066959040  0.543187930  0.806585690
     0.160384420  0.477177990  0.800347430
     0.826973170  0.516573630  0.615906160
     0.920363090  0.457185580  0.586855350
     0.876815030  0.447772540  0.692374760
     0.795507460  0.684052480  0.471389970
     0.876037880  0.700382870  0.391384530
     0.775793030  0.653323310  0.362931380
     0.057121160  0.568504180  0.607702040
     0.955405770  0.523475160  0.581929850
     0.033475500  0.540266090  0.499748650
     0.018025110  0.759894650  0.355506740
     0.942518170  0.737685910  0.438597730
     0.042152830  0.681619070  0.435318820
     0.802824600  0.739240750  0.142978440
     0.894999590  0.676920750  0.169707250
     0.796323880  0.660843420  0.226078140

  ion indices of the primitive-cell ions
   primitive index   ion index
                 1           1
                 2           2
                 3           3
                 4           4
                 5           5
                 6           6
                 7           7
                 8           8
                 9           9
                10          10
                11          11
                12          12
                13          13
                14          14
                15          15
                16          16
                17          17
                18          18
                19          19
                20          20
                21          21
                22          22
                23          23
                24          24
                25          25
                26          26
                27          27
                28          28
                29          29
                30          30
                31          31
                32          32
                33          33
                34          34
                35          35
                36          36
                37          37
                38          38
                39          39
                40          40
                41          41
                42          42
                43          43
                44          44
                45          45
                46          46
                47          47
                48          48
                49          49
                50          50
                51          51
                52          52
                53          53
                54          54
                55          55
                56          56
                57          57
                58          58
                59          59
                60          60
                61          61
                62          62
                63          63
                64          64
                65          65
                66          66
                67          67
                68          68
                69          69
                70          70
                71          71
                72          72
                73          73
                74          74
                75          75
                76          76
                77          77
                78          78
                79          79
                80          80
                81          81
                82          82
                83          83
                84          84
                85          85
                86          86
                87          87
                88          88
                89          89
                90          90
                91          91
                92          92
                93          93
                94          94
                95          95
                96          96
                97          97
                98          98
                99          99
               100         100
               101         101
               102         102
               103         103
               104         104
               105         105
               106         106
               107         107
               108         108
               109         109
               110         110
               111         111
               112         112
               113         113
               114         114
               115         115
               116         116
               117         117
               118         118
               119         119
               120         120
               121         121
               122         122
               123         123
               124         124
               125         125
               126         126
               127         127
               128         128
               129         129
               130         130
               131         131
               132         132
               133         133
               134         134
               135         135
               136         136
               137         137
               138         138
               139         139
               140         140
               141         141
               142         142
               143         143
               144         144
               145         145
               146         146
               147         147
               148         148
               149         149
               150         150
               151         151
               152         152
               153         153
               154         154
               155         155
               156         156
               157         157
               158         158
               159         159
               160         160
               161         161
               162         162
               163         163
               164         164
               165         165
               166         166
               167         167
               168         168
               169         169
               170         170
               171         171
               172         172
               173         173
               174         174
               175         175
               176         176
               177         177
               178         178
               179         179
               180         180
               181         181
               182         182
               183         183
               184         184
               185         185
               186         186
               187         187
               188         188
               189         189
               190         190
               191         191
               192         192
               193         193
               194         194
               195         195
               196         196
               197         197
               198         198
               199         199
               200         200
               201         201
               202         202
               203         203
               204         204
               205         205
               206         206
               207         207
               208         208
               209         209
               210         210
               211         211
               212         212
               213         213
               214         214
               215         215
               216         216
               217         217
               218         218
               219         219
               220         220
               221         221
               222         222
               223         223
               224         224
               225         225
               226         226
               227         227
               228         228
               229         229
               230         230
               231         231
               232         232
               233         233
               234         234
               235         235
               236         236
               237         237
               238         238
               239         239
               240         240
               241         241
               242         242
               243         243
               244         244
               245         245
               246         246
               247         247
               248         248
               249         249
               250         250
               251         251
               252         252
               253         253
               254         254
               255         255
               256         256
               257         257
               258         258
               259         259
               260         260
               261         261
               262         262
               263         263
               264         264
               265         265
               266         266
               267         267
               268         268
               269         269
               270         270
               271         271
               272         272
               273         273
               274         274
               275         275
               276         276
               277         277
               278         278
               279         279
               280         280
               281         281
               282         282
               283         283
               284         284
               285         285
               286         286
               287         287
               288         288
               289         289
               290         290
               291         291
               292         292
               293         293
               294         294
               295         295
               296         296
               297         297
               298         298
               299         299
               300         300
               301         301
               302         302
               303         303
               304         304
               305         305
               306         306
               307         307
               308         308
               309         309
               310         310
               311         311
               312         312
               313         313
               314         314
               315         315
               316         316
               317         317
               318         318
               319         319
               320         320
               321         321
               322         322
               323         323
               324         324
               325         325
               326         326
               327         327
               328         328
               329         329
               330         330
               331         331
               332         332
               333         333
               334         334
               335         335
               336         336
               337         337
               338         338
               339         339
               340         340
               341         341
               342         342
               343         343
               344         344
               345         345
               346         346
               347         347
               348         348
               349         349
               350         350
               351         351
               352         352
               353         353
               354         354
               355         355
               356         356
               357         357
               358         358
               359         359
               360         360
               361         361
               362         362
               363         363
               364         364
               365         365
               366         366
               367         367
               368         368
               369         369
               370         370
               371         371
               372         372
               373         373
               374         374
               375         375
               376         376
               377         377
               378         378
               379         379
               380         380
               381         381
               382         382
               383         383
               384         384
               385         385
               386         386
               387         387
               388         388
               389         389
               390         390
               391         391
               392         392
               393         393
               394         394
               395         395
               396         396
               397         397
               398         398
               399         399
               400         400
               401         401
               402         402
               403         403
               404         404
               405         405
               406         406
               407         407
               408         408
               409         409
               410         410
               411         411
               412         412
               413         413
               414         414
               415         415
               416         416
               417         417
               418         418
               419         419
               420         420
               421         421
               422         422
               423         423
               424         424
               425         425
               426         426
               427         427
               428         428
               429         429
               430         430
               431         431
               432         432
               433         433
               434         434
               435         435
               436         436
               437         437
               438         438
               439         439
               440         440
               441         441
               442         442
               443         443
               444         444
               445         445
               446         446
               447         447
               448         448
               449         449
               450         450
               451         451
               452         452
               453         453
               454         454
               455         455
               456         456
               457         457
               458         458
               459         459
               460         460
               461         461
               462         462
               463         463
               464         464
               465         465
               466         466
               467         467
               468         468
               469         469
               470         470
               471         471
               472         472
               473         473
               474         474
               475         475
               476         476
               477         477
               478         478
               479         479
               480         480
               481         481
               482         482
               483         483
               484         484
               485         485
               486         486
               487         487
               488         488
               489         489
               490         490
               491         491
               492         492
               493         493
               494         494
               495         495
               496         496
               497         497
               498         498
               499         499
               500         500
               501         501
               502         502
               503         503
               504         504
               505         505
               506         506
               507         507
               508         508
               509         509
               510         510
               511         511
               512         512
               513         513
               514         514
               515         515
               516         516
               517         517
               518         518
               519         519
               520         520
               521         521
               522         522
               523         523
               524         524
               525         525
               526         526
               527         527
               528         528
               529         529
               530         530
               531         531
               532         532
               533         533
               534         534
               535         535
               536         536
               537         537
               538         538
               539         539
               540         540
               541         541
               542         542
               543         543
               544         544
               545         545
               546         546
               547         547
               548         548
               549         549
               550         550
               551         551
               552         552
               553         553
               554         554
               555         555
               556         556
               557         557
               558         558
               559         559
               560         560
               561         561
               562         562
               563         563
               564         564
               565         565
               566         566
               567         567
               568         568
               569         569
               570         570
               571         571
               572         572
               573         573
               574         574
               575         575
               576         576
               577         577
               578         578
               579         579
               580         580
               581         581
               582         582
               583         583
               584         584
               585         585
               586         586
               587         587
               588         588
               589         589
               590         590
               591         591
               592         592
               593         593
               594         594
               595         595
               596         596
               597         597
               598         598
               599         599
               600         600
               601         601
               602         602
               603         603
               604         604
               605         605
               606         606
               607         607
               608         608
               609         609
               610         610
               611         611
               612         612
               613         613
               614         614
               615         615
               616         616
               617         617
               618         618
               619         619
               620         620
               621         621
               622         622
               623         623
               624         624
               625         625
               626         626
               627         627
               628         628
               629         629
               630         630
               631         631
               632         632
               633         633
               634         634
               635         635
               636         636
               637         637
               638         638
               639         639
               640         640
               641         641
               642         642
               643         643
               644         644
               645         645
               646         646
               647         647
               648         648
               649         649
               650         650

----------------------------------------------------------------------------------------

 
 
 KPOINTS: Automatic mesh                          

Automatic generation of k-mesh.
 Grid dimensions read from file:
 generate k-points for:    1    1    1

 Generating k-lattice:

  Cartesian coordinates                     Fractional coordinates (reciprocal lattice)
     0.047039067  0.000000000  0.000000000     1.000000000  0.000000000  0.000000000
     0.000000000  0.047039067  0.000000000     0.000000000  1.000000000  0.000000000
     0.000000000  0.000000000  0.047039067     0.000000000  0.000000000  1.000000000

  Length of vectors
     0.047039067  0.047039067  0.047039067

  Shift w.r.t. Gamma in fractional coordinates (k-lattice)
     0.000000000  0.000000000  0.000000000

 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found      1 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
 


--------------------------------------------------------------------------------------------------------




 Dimension of arrays:
   k-points           NKPTS =      1   k-points in BZ     NKDIM =      1   number of bands    NBANDS=   1576
   number of dos      NEDOS =    301   number of ions     NIONS =    650
   non local maximal  LDIM  =      4   non local SUM 2l+1 LMDIM =      8
   total plane-waves  NPLWV = ******
   max r-space proj   IRMAX =   5905   max aug-charges    IRDMAX=   3904
   dimension x,y,z NGX =   140 NGY =  140 NGZ =  140
   dimension x,y,z NGXF=   280 NGYF=  280 NGZF=  280
   support grid    NGXF=   280 NGYF=  280 NGZF=  280
   ions per type =             360 146  24  48  72
   NGX,Y,Z   is equivalent  to a cutoff of  10.95, 10.95, 10.95 a.u.
   NGXF,Y,Z  is equivalent  to a cutoff of  21.90, 21.90, 21.90 a.u.

 SYSTEM =  Opt_BPDATFMB12                          
 POSCAR =  Opt_BPDATFMB12                          

 Startparameter for this run:
   NWRITE =      1    write-flag & timer
   PREC   = accura    normal or accurate (medium, high low for compatibility)
   ISTART =      0    job   : 0-new  1-cont  2-samecut
   ICHARG =      2    charge: 1-file 2-atom 10-const
   ISPIN  =      1    spin polarized calculation?
   LNONCOLLINEAR =      F non collinear calculations
   LSORBIT =      F    spin-orbit coupling
   INIWAV =      1    electr: 0-lowe 1-rand  2-diag
   LASPH  =      F    aspherical Exc in radial PAW
 Electronic Relaxation 1
   ENCUT  =  400.0 eV  29.40 Ry    5.42 a.u.  34.67 34.67 34.67*2*pi/ulx,y,z
   ENINI  =  400.0     initial cutoff
   ENAUG  =  644.9 eV  augmentation charge cutoff
   NELM   =     60;   NELMIN=  2; NELMDL= -5     # of ELM steps 
   EDIFF  = 0.1E-04   stopping-criterion for ELM
   LREAL  =      T    real-space projection
   NLSPLINE    = F    spline interpolate recip. space projectors
   LCOMPAT=      F    compatible to vasp.4.4
   GGA_COMPAT  = T    GGA compatible to vasp.4.4-vasp.4.6
   LMAXPAW     = -100 max onsite density
   LMAXMIX     =    2 max onsite mixed and CHGCAR
   VOSKOWN=      1    Vosko Wilk Nusair interpolation
   ROPT   =   -0.00025  -0.00025  -0.00025  -0.00025
   ROPT   =   -0.00025
 Ionic relaxation
   EDIFFG = -.2E-01   stopping-criterion for IOM
   NSW    =    100    number of steps for IOM
   NBLOCK =      1;   KBLOCK =    100    inner block; outer block 
   IBRION =      2    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      1    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      2    stress and relaxation
   IWAVPR =     11    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      2    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.5000    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps = 0.13E+47 mass=  -0.103E-25a.u.
   SCALEE = 1.0000    scale energy and forces
   NPACO  =    256;   APACO  = 16.0  distance and # of slots for P.C.
   PSTRESS=    0.0 pullay stress

  Mass of Ions in am
   POMASS =  12.01  1.00 14.00 16.00 19.00
  Ionic Valenz
   ZVAL   =   4.00  1.00  5.00  6.00  7.00
  Atomic Wigner-Seitz radii
   RWIGS  =   0.77  0.32  0.75  0.73  0.72
  virtual crystal weights 
   VCA    =   1.00  1.00  1.00  1.00  1.00
   NELECT =    2498.0000    total number of electrons
   NUPDOWN=      -1.0000    fix difference up-down

 DOS related values:
   EMIN   =  10.00;   EMAX   =-10.00  energy-range for DOS
   EFERMI =   0.00
   ISMEAR =     1;   SIGMA  =   0.20  broadening in eV -4-tet -1-fermi 0-gaus

 Electronic relaxation 2 (details)
   IALGO  =     38    algorithm
   LDIAG  =      T    sub-space diagonalisation (order eigenvalues)
   LSUBROT=      F    optimize rotation matrix (better conditioning)
   TURBO    =      0    0=normal 1=particle mesh
   IRESTART =      0    0=no restart 2=restart with 2 vectors
   NREBOOT  =      0    no. of reboots
   NMIN     =      0    reboot dimension
   EREF     =   0.00    reference energy to select bands
   IMIX   =      4    mixing-type and parameters
     AMIX     =   0.40;   BMIX     =  1.00
     AMIX_MAG =   1.60;   BMIX_MAG =  1.00
     AMIN     =   0.10
     WC   =   100.;   INIMIX=   1;  MIXPRE=   1;  MAXMIX= -45

 Intra band minimization:
   WEIMIN = 0.0010     energy-eigenvalue tresh-hold
   EBREAK =  0.16E-08  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      14.78        99.75
  Fermi-wavevector in a.u.,A,eV,Ry     =   1.044875  1.974527 14.854348  1.091764
  Thomas-Fermi vector in A             =   2.179647
 
 Write flags
   LWAVE        =      F    write WAVECAR
   LDOWNSAMPLE  =      F    k-point downsampling of WAVECAR
   LCHARG       =      F    write CHGCAR
   LVTOT        =      F    write LOCPOT, total local potential
   LVHAR        =      F    write LOCPOT, Hartree potential only
   LELF         =      F    write electronic localiz. function (ELF)
   LORBIT       =      0    0 simple, 1 ext, 2 COOP (PROOUT), +10 PAW based schemes


 Dipole corrections
   LMONO  =      F    monopole corrections only (constant potential shift)
   LDIPOL =      F    correct potential (dipole corrections)
   IDIPOL =      0    1-x, 2-y, 3-z, 4-all directions 
   EPSILON=  1.0000000 bulk dielectric constant

 Exchange correlation treatment:
   GGA     =    --    GGA type
   LEXCH   =     8    internal setting for exchange type
   VOSKOWN=      1    Vosko Wilk Nusair interpolation
   LHFCALC =     F    Hartree Fock is set to
   LHFONE  =     F    Hartree Fock one center treatment
   AEXX    =    0.0000 exact exchange contribution

 Linear response parameters
   LEPSILON=     F    determine dielectric tensor
   LRPA    =     F    only Hartree local field effects (RPA)
   LNABLA  =     F    use nabla operator in PAW spheres
   LVEL    =     F    velocity operator in full k-point grid
   LINTERFAST=   F  fast interpolation
   KINTER  =     0    interpolate to denser k-point grid
   CSHIFT  =0.1000    complex shift for real part using Kramers Kronig
   OMEGAMAX=  -1.0    maximum frequency
   DEG_THRESHOLD= 0.2000000E-02 threshold for treating states as degnerate
   RTIME   =   -0.100 relaxation time in fs
  (WPLASMAI=    0.000 imaginary part of plasma frequency in eV, 0.658/RTIME)
   DFIELD  = 0.0000000 0.0000000 0.0000000 field for delta impulse in time
 
 Orbital magnetization related:
   ORBITALMAG=     F  switch on orbital magnetization
   LCHIMAG   =     F  perturbation theory with respect to B field
   DQ        =  0.001000  dq finite difference perturbation B field
   LLRAUG    =     F  two centre corrections for induced B field



--------------------------------------------------------------------------------------------------------


 conjugate gradient relaxation of ions
 charge density and potential will be updated during run
 non-spin polarized calculation
 Variant of blocked Davidson
 Davidson routine will perform the subspace rotation
 perform sub-space diagonalisation
    after iterative eigenvector-optimisation
 modified Broyden-mixing scheme, WC =      100.0
 initial mixing is a Kerker type mixing with AMIX =  0.4000 and BMIX =      1.0000
 Hartree-type preconditioning will be used
 using additional bands          327
 real space projection scheme for non local part
 use partial core corrections
 calculate Harris-corrections to forces 
   (improved forces if not selfconsistent)
 use gradient corrections 
 use of overlap-Matrix (Vanderbilt PP)
 Methfessel and Paxton  Order N= 1 SIGMA  =   0.20


--------------------------------------------------------------------------------------------------------


  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 
 k-points in units of 2pi/SCALE and weight: Automatic mesh                          
   0.00000000  0.00000000  0.00000000       1.000
 
 k-points in reciprocal lattice and weights: Automatic mesh                          
   0.00000000  0.00000000  0.00000000       1.000
 
 position of ions in fractional coordinates (direct lattice) 
   0.59147149  0.15145210  0.06495613
   0.58148854  0.17144488  0.12584673
   0.58235271  0.23564458  0.14206675
   0.60136274  0.19254642  0.01645529
   0.60426774  0.25724762  0.03005657
   0.59612432  0.27951156  0.09271261
   0.58937112  0.07871889  0.06153486
   0.57076989  0.11321611  0.16881755
   0.60289497  0.35141460  0.10410277
   0.59542897  0.37905040  0.16471082
   0.60518642  0.44388238  0.16992620
   0.61826251  0.39069735  0.05106610
   0.62681163  0.45654420  0.05901399
   0.62107550  0.48098621  0.11894509
   0.63043124  0.55037327  0.14081072
   0.60142467  0.48512595  0.22963286
   0.62336611  0.60895961  0.25309710
   0.61028894  0.60267572  0.31663296
   0.61564328  0.65416741  0.35664529
   0.64126008  0.66785315  0.22850760
   0.64604583  0.72035856  0.26854529
   0.63327560  0.71327866  0.33308389
   0.63950527  0.76957132  0.37892200
   0.62049097  0.76256121  0.44180569
   0.62792781  0.81193258  0.48435656
   0.66401042  0.82733265  0.35827732
   0.67169088  0.87693351  0.40105831
   0.65419201  0.86895708  0.46441046
   0.59117660  0.70034486  0.46395873
   0.66537961  0.78534146  0.24151051
   0.45847963  0.18172125  0.22835206
   0.47126478  0.22499679  0.18203952
   0.47505311  0.28825742  0.19487154
   0.44926461  0.19776682  0.28971387
   0.45431383  0.26116385  0.30636175
   0.46888483  0.30708907  0.25912577
   0.45644257  0.11614690  0.20084584
   0.47953031  0.19041818  0.11812390
   0.47671468  0.37612497  0.27785338
   0.49541883  0.42091144  0.23238659
   0.50113766  0.48264371  0.25110637
   0.46560806  0.39544193  0.34189738
   0.47245703  0.45980522  0.35870563
   0.48911996  0.50176076  0.31176015
   0.49755229  0.57392124  0.31648984
   0.52018592  0.53987787  0.21066256
   0.53069822  0.66395002  0.23372522
   0.54958184  0.67868790  0.17229954
   0.56125809  0.74113971  0.15568076
   0.52367731  0.71120641  0.27816201
   0.53258668  0.77398196  0.26131568
   0.55204293  0.78910823  0.19962912
   0.56312867  0.85831599  0.18067893
   0.57864967  0.87429230  0.11804459
   0.58161747  0.93777080  0.10048888
   0.55599631  0.90582771  0.22570901
   0.56101047  0.96911273  0.20846872
   0.57284688  0.98543727  0.14603899
   0.59184110  0.82250045  0.06811045
   0.52100852  0.82637674  0.31066994
   0.45708190  0.34142621  0.68364177
   0.45107945  0.36179996  0.74486803
   0.45652385  0.42515813  0.76164844
   0.46953625  0.38211437  0.63464634
   0.47562106  0.44746677  0.64865697
   0.46938685  0.46935678  0.71287600
   0.44802138  0.26900961  0.68082893
   0.43808052  0.30463349  0.78825108
   0.47708695  0.54085773  0.72719728
   0.47030718  0.56566790  0.78980749
   0.47745496  0.63063477  0.79764269
   0.49125000  0.58273684  0.67624447
   0.49816645  0.64777841  0.68736167
   0.49023309  0.66976751  0.74768620
   0.49404942  0.73867478  0.77004571
   0.47251215  0.67049857  0.85925985
   0.48232258  0.79813660  0.88389427
   0.47358599  0.79188504  0.94915579
   0.47187812  0.84561781  0.98769841
   0.49045240  0.85876823  0.85766180
   0.48965732  0.91259457  0.89656182
   0.48084100  0.90581418  0.96196001
   0.48096798  0.96383378  0.00631509
   0.46886815  0.95558764  0.07049332
   0.46751651  0.00669393  0.11040231
   0.49265751  0.02444891  0.98293611
   0.49082730  0.07617691  0.02379237
   0.47664305  0.06691800  0.08725048
   0.45655515  0.88997452  0.09723288
   0.49866504  0.97838932  0.86665299
   0.34128103  0.35768679  0.82711970
   0.35497898  0.40084877  0.78085267
   0.35915755  0.46553249  0.79364442
   0.33228998  0.37467202  0.88892442
   0.33377292  0.43937635  0.90447012
   0.34725864  0.48558497  0.85717255
   0.33792046  0.29084648  0.79875363
   0.36288378  0.36588433  0.71664428
   0.34765016  0.55658643  0.87662672
   0.36488171  0.60508642  0.83352385
   0.36387175  0.66706817  0.85551988
   0.33010318  0.57336428  0.94019780
   0.32928841  0.63738097  0.95908420
   0.34585340  0.68204219  0.91591774
   0.34784780  0.75404168  0.92558368
   0.38077921  0.72796915  0.81959024
   0.38001912  0.85301683  0.85016699
   0.40715539  0.87049551  0.79310385
   0.41663265  0.93428521  0.77866468
   0.36272263  0.89973962  0.89396148
   0.37221860  0.96379511  0.87961522
   0.39824801  0.98121019  0.82104614
   0.40888760  0.05192649  0.80318508
   0.42111087  0.06797065  0.74025222
   0.43074166  0.13075418  0.72307732
   0.40512799  0.09959792  0.84884052
   0.41469109  0.16311075  0.83134156
   0.42708310  0.17838863  0.76792041
   0.42396301  0.01632662  0.68977805
   0.35332393  0.01397981  0.92754239
   0.33229389  0.51202000  0.28766941
   0.32284130  0.53384734  0.34783060
   0.32781420  0.59752434  0.36303485
   0.34794866  0.55118362  0.23874387
   0.35444075  0.61614340  0.25128064
   0.34330968  0.64007053  0.31344429
   0.32302842  0.43990591  0.28550987
   0.30665996  0.47791240  0.39173725
   0.34906750  0.71180961  0.32459273
   0.33491848  0.73981677  0.38404689
   0.34060363  0.80512140  0.38903971
   0.36831707  0.75078776  0.27305142
   0.37341199  0.81661356  0.28086913
   0.36052232  0.84170033  0.33938872
   0.36504967  0.91162362  0.36012628
   0.32783279  0.84763429  0.44724688
   0.34154187  0.97368723  0.47100650
   0.31782436  0.96874695  0.53230926
   0.31670958  0.02176600  0.57227473
   0.36245692  0.03235753  0.44877457
   0.36042945  0.08586971  0.48845912
   0.33960217  0.08003659  0.55129717
   0.34112505  0.13825845  0.59754741
   0.32355189  0.13103849  0.66133406
   0.32711287  0.18214089  0.70290043
   0.36102971  0.19785176  0.57606181
   0.36369946  0.24966778  0.61826538
   0.34719272  0.24138873  0.68185925
   0.30078649  0.06719079  0.68607553
   0.38196143  0.14989141  0.46303180
   0.19023798  0.54306927  0.50792212
   0.17665325  0.58423839  0.45962562
   0.17959909  0.64948276  0.46766989
   0.20562180  0.56362270  0.56792916
   0.20843681  0.62944201  0.57896599
   0.19652959  0.67281395  0.52851512
   0.18474246  0.47426954  0.48418865
   0.15901653  0.54615014  0.39913474
   0.20156962  0.74437673  0.54087477
   0.19714185  0.78786575  0.49045676
   0.20564309  0.85094803  0.50396001
   0.21275620  0.76711246  0.60376706
   0.21945941  0.83247217  0.61472446
   0.21539184  0.87231634  0.56411692
   0.22163294  0.94450356  0.56402447
   0.20600673  0.90710145  0.45774611
   0.22489252  0.03402475  0.47366238
   0.23574357  0.04697974  0.40988105
   0.25015009  0.10884952  0.39064288
   0.22453695  0.08324924  0.51757352
   0.23599906  0.14542235  0.49844111
   0.25107579  0.15830077  0.43483591
   0.26748208  0.22685038  0.41315692
   0.28461792  0.23891312  0.35010754
   0.29824509  0.30091520  0.33067623
   0.26496055  0.27680644  0.45625460
   0.27708495  0.33880254  0.43633256
   0.29351892  0.35096130  0.37347405
   0.28893700  0.18437163  0.30228547
   0.23242490  0.19901669  0.54773808
   0.07123603  0.67818894  0.02524358
   0.09131415  0.69618838  0.08404815
   0.08566686  0.76064653  0.10441447
   0.04660448  0.71923345  0.98245666
   0.04242685  0.78311730  0.99770056
   0.06038653  0.80538045  0.05824364
   0.08036756  0.60724653  0.01521091
   0.11790275  0.63544694  0.11947766
   0.05172776  0.87788263  0.07039941
   0.06874197  0.90790628  0.12804610
   0.06287819  0.97317878  0.13040556
   0.02634606  0.91578724  0.01937700
   0.02071792  0.98131206  0.02571479
   0.04010494  0.00799320  0.08028624
   0.04064672  0.07812810  0.09650999
   0.07948872  0.01801182  0.18473167
   0.07507950  0.14302035  0.19768194
   0.10059897  0.13954020  0.25709785
   0.11292138  0.19376622  0.29068732
   0.05944596  0.20143522  0.17098782
   0.07133224  0.25690651  0.20448555
   0.10033032  0.25311662  0.26431353
   0.11809443  0.31295807  0.30203056
   0.14433925  0.30654921  0.36202187
   0.15911375  0.35939284  0.39764369
   0.10792428  0.37337258  0.27717533
   0.12412306  0.42706795  0.31300475
   0.14833193  0.41961116  0.37424581
   0.15691051  0.24117366  0.38972392
   0.05293068  0.32116664  0.17549219
   0.21741632  0.66242914  0.03693775
   0.17931589  0.70442571  0.00485828
   0.17878972  0.77042159  0.01962668
   0.25651860  0.68117149  0.08587115
   0.25736104  0.74613776  0.10366516
   0.21942336  0.79190167  0.07030278
   0.20878263  0.59418628  0.00988453
   0.14041667  0.66720762  0.95352549
   0.22396045  0.86414884  0.09137009
   0.18872775  0.91406062  0.06080456
   0.19635501  0.97620795  0.08429533
   0.26517005  0.88021656  0.14310644
   0.27094000  0.94375678  0.16359432
   0.23632546  0.98953265  0.13348111
   0.23578928  0.06124805  0.14803747
   0.16404805  0.03882112  0.06165386
   0.17246497  0.16414767  0.10156313
   0.13385252  0.18882421  0.05360971
   0.12335956  0.25554644  0.04942124
   0.19776391  0.20547151  0.14756971
   0.18628083  0.27154485  0.14444427
   0.15152901  0.29747667  0.09440608
   0.14271797  0.37318375  0.08899276
   0.11094809  0.39886931  0.03744148
   0.10193791  0.46508981  0.03228183
   0.16716268  0.41478364  0.13625481
   0.15711095  0.48173972  0.13180631
   0.12369288  0.50676003  0.08019503
   0.08599862  0.35455341  0.98643664
   0.21286479  0.31500791  0.19549242
   0.86412377  0.81716591  0.62284660
   0.91574314  0.84028298  0.65455109
   0.92533164  0.90427526  0.66375860
   0.81981567  0.85648815  0.59572640
   0.82756204  0.92240581  0.60352509
   0.87952974  0.94623459  0.63964357
   0.86599467  0.74386219  0.62323828
   0.95726500  0.78496597  0.67706201
   0.88441404  0.01698961  0.65195705
   0.93596555  0.04264331  0.68644979
   0.93523673  0.10637276  0.69836412
   0.83546097  0.05736451  0.62972198
   0.83671025  0.12153903  0.64430796
   0.88655438  0.14403963  0.67873498
   0.89729375  0.21176771  0.70046999
   0.98447289  0.14669703  0.73444390
   0.99023609  0.27086632  0.76710741
   0.05075224  0.26535645  0.79232215
   0.08091744  0.31813904  0.81907636
   0.95869461  0.32909582  0.76959910
   0.98685681  0.38112459  0.79959039
   0.04811041  0.37583132  0.82542492
   0.07980041  0.43409821  0.85941035
   0.13714934  0.42764935  0.89126755
   0.16285363  0.47982858  0.92463709
   0.05015580  0.49299202  0.85861244
   0.07893935  0.54605055  0.88590811
   0.13266514  0.53938228  0.92211616
   0.17183063  0.36428785  0.89124021
   0.95007051  0.44328032  0.80387676
   0.09825731  0.85444683  0.66413188
   0.05904879  0.89911851  0.63867878
   0.06569042  0.96240890  0.65124205
   0.14940120  0.87013557  0.70124178
   0.16080563  0.93529223  0.71293434
   0.11745584  0.98185030  0.68860155
   0.07599156  0.78828448  0.64416286
   0.00873008  0.86684331  0.59702174
   0.12697313  0.05255020  0.70303534
   0.08218353  0.09773261  0.68089485
   0.09113356  0.16013251  0.69758531
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   0.90995641  0.60834062  0.65149735
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   0.94489384  0.05961414  0.29634443
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   0.95955697  0.36145654  0.33531385
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   0.91226088  0.56351326  0.27551485
   0.89689296  0.62669635  0.26470933
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   0.67681641  0.83375502  0.30926250
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   0.48189114  0.32267721  0.15746825
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   0.51148636  0.69907324  0.32634994
   0.59057032  0.95031324  0.05143329
   0.54691849  0.89356232  0.27428965
   0.55573337  0.00562540  0.24387341
   0.45109793  0.44027499  0.81050146
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   0.46002664  0.53507278  0.82960785
   0.49671182  0.56428770  0.62882126
   0.50975331  0.67981120  0.64907672
   0.46323057  0.84051542  0.03754074
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   0.45943783  0.99958400  0.16051517
   0.50309020  0.03134620  0.93364762
   0.50080275  0.12327444  0.00618387
   0.37089538  0.49920642  0.75681948
   0.32450118  0.33914586  0.92512058
   0.32429344  0.45421196  0.95243947
   0.37824608  0.59425189  0.78519167
   0.31737112  0.53677418  0.97373435
   0.31581764  0.65074755  0.00672626
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   0.42126915  0.83435080  0.75967564
   0.34172180  0.88651892  0.93885544
   0.44142697  0.14246976  0.67440553
   0.39512057  0.08769576  0.89750810
   0.41276264  0.20011193  0.86689176
   0.32034714  0.61408943  0.41104562
   0.35492865  0.53271043  0.19154500
   0.36818122  0.64818857  0.21368833
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   0.03793932  0.20358052  0.12425194
   0.17920385  0.35353628  0.44425858
   0.08767311  0.37881564  0.23056205
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   0.28693281  0.76132368  0.14280214
   0.15789233  0.90442135  0.02121810
   0.29214408  0.84341407  0.16662915
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   0.22626441  0.18649994  0.18577573
   0.07819654  0.48429027  0.99094630
   0.19346025  0.39581253  0.17567164
   0.17564979  0.51294230  0.16808151
   0.96676789  0.92174070  0.68874733
   0.78036785  0.83765548  0.56922813
   0.79422689  0.95509094  0.58182515
   0.97431870  0.01305929  0.70282648
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   0.68363091  0.03988458  0.17965049
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   0.99529427  0.02993729  0.37942286
   0.01094368  0.14191963  0.41628525
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   0.47150959  0.12134389  0.13207694
   0.51716397  0.59667553  0.25229511
   0.43723271  0.24669667  0.74721767
   0.48285865  0.73917728  0.84048232
   0.34927165  0.29645008  0.72918785
   0.36977028  0.78274375  0.86445568
   0.30698634  0.41882221  0.35158964
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   0.16360088  0.47679889  0.41612949
   0.21677947  0.96608479  0.49678115
   0.10835805  0.57928929  0.07312977
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   0.59854705  0.03908079  0.00364251
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   0.49325433  0.21963179  0.05503095
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   0.29348437  0.48153111  0.46070685
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   0.30397311  0.82644212  0.51027525
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   0.14050278  0.57291435  0.33652028
   0.19680979  0.41576627  0.52208702
   0.19814262  0.90342274  0.38790316
   0.23272730  0.98534285  0.62021461
   0.14562382  0.63289658  0.18447664
   0.06381919  0.57208856  0.95701744
   0.10555843  0.00006772  0.24809399
   0.02065953  0.13116733  0.05431195
   0.09322855  0.69462286  0.90838672
   0.24176544  0.53569947  0.03207640
   0.11754437  0.04521317  0.00893486
   0.27477024  0.09389690  0.19703121
   0.01846482  0.78980288  0.71136640
   0.81885749  0.69966067  0.59404683
   0.04543585  0.12405140  0.76262131
   0.85448001  0.26592235  0.68789981
   0.95846868  0.89919505  0.55990387
   0.10421228  0.72655055  0.66353978
   0.98995622  0.21822057  0.64291320
   0.18619643  0.28946736  0.77897643
   0.89750044  0.99693077  0.35613809
   0.73722112  0.90962661  0.18678649
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   0.73604443  0.47722853  0.29969638
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   0.94706344  0.93233264  0.28703815
   0.90826046  0.42604550  0.23771789
   0.01760794  0.48423731  0.45385928
   0.61642003  0.83307894  0.25749900
   0.72698845  0.80480684  0.26877941
   0.67136372  0.78099548  0.17182027
   0.55893190  0.71039047  0.52530672
   0.54439557  0.67856311  0.41639671
   0.64161647  0.65205470  0.47172111
   0.58131088  0.85901217  0.32534401
   0.47455480  0.87262186  0.28541015
   0.49535681  0.79776653  0.36937816
   0.60569351  0.85294123  0.00653449
   0.64752887  0.78480197  0.08809380
   0.53599426  0.78030626  0.06104915
   0.44956226  0.02277931  0.89029614
   0.56239369  0.00285976  0.88263676
   0.49289723  0.97279357  0.79712984
   0.44618632  0.89481616  0.16629116
   0.39938190  0.86323315  0.06687084
   0.51172355  0.84867764  0.08495952
   0.41008563  0.03600740  0.96175100
   0.32337488  0.06786403  0.89425779
   0.30764780  0.98641287  0.97322096
   0.40985326  0.04416881  0.62670312
   0.48797371  0.98849655  0.68903203
   0.37669523  0.96628513  0.70458019
   0.32896790  0.19566345  0.46669138
   0.43597728  0.17320213  0.50119313
   0.40189475  0.14263350  0.39635123
   0.29795145  0.06902696  0.75611071
   0.23699206  0.05366718  0.66060233
   0.34538262  0.01734030  0.66603793
   0.29409254  0.23186203  0.55191414
   0.18256997  0.24477103  0.52929828
   0.21651387  0.17168511  0.61039618
   0.31177442  0.20911079  0.24085416
   0.33395812  0.13627889  0.32612435
   0.22558193  0.15515862  0.29335321
   0.01636279  0.35868148  0.22217067
   0.11054263  0.35615394  0.15738960
   0.01347206  0.31045416  0.11847383
   0.19036652  0.24847300  0.45033856
   0.09582662  0.20823125  0.40081532
   0.19688534  0.20371391  0.34568996
   0.26038205  0.35770445  0.16698455
   0.16094092  0.35284038  0.22317005
   0.24295393  0.27666556  0.24582828
   0.06309893  0.39147589  0.93126244
   0.13801985  0.31201406  0.96681655
   0.03325750  0.31651503  0.01252686
   0.93451975  0.45685944  0.87119656
   0.98813948  0.49566402  0.77658035
   0.89089084  0.43702548  0.76752008
   0.21801961  0.36366693  0.94372234
   0.12575656  0.31159882  0.89944830
   0.20558573  0.35661767  0.83034891
   0.13434227  0.54820808  0.71465652
   0.06695904  0.54318793  0.80658569
   0.16038442  0.47717799  0.80034743
   0.82697317  0.51657363  0.61590616
   0.92036309  0.45718558  0.58685535
   0.87681503  0.44777254  0.69237476
   0.79550746  0.68405248  0.47138997
   0.87603788  0.70038287  0.39138453
   0.77579303  0.65332331  0.36293138
   0.05712116  0.56850418  0.60770204
   0.95540577  0.52347516  0.58192985
   0.03347550  0.54026609  0.49974865
   0.01802511  0.75989465  0.35550674
   0.94251817  0.73768591  0.43859773
   0.04215283  0.68161907  0.43531882
   0.80282460  0.73924075  0.14297844
   0.89499959  0.67692075  0.16970725
   0.79632388  0.66084342  0.22607814
 
 position of ions in cartesian coordinates  (Angst):
  12.57404799  3.21970882  1.38089749
  12.36182120  3.64473383  2.67536618
  12.38019253  5.00955043  3.02018637
  12.78432533  4.09332988  0.34982177
  12.84608250  5.46880783  0.63897036
  12.67296215  5.94211526  1.97097041
  12.52939638  1.67347897  1.30816497
  12.13395423  2.40685278  3.58887962
  12.81689889  7.47069659  2.21311297
  12.65817976  8.05820399  3.50157495
  12.86561265  9.43646218  3.61244832
  13.14359627  8.30580562  1.08561038
  13.32534137  9.70563886  1.25457398
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   8.06300829 15.50835765  4.84125160
   8.22091044 17.99887748  5.13641073
   6.33084108  0.37248124 13.16357434
   6.37969558 19.63721439 11.67441833
   8.09188960  0.77917935  8.52354910
   6.67583751  3.73560659 15.99143483
   7.95687566  4.34012028 11.20577128
   8.04825672  6.28731173 12.78532365
   3.59984731 14.49131198  9.11779664
   4.57431922 11.27146540 12.87774193
   4.67059664 13.75747196 13.30326185
   3.98298565 16.41346722  9.41152227
   4.59532113 15.60666381 13.66576904
   4.84296422 18.08334918 14.07017161
   5.54430976  2.51465743  7.26544018
   4.95013301  0.19867464  7.97493299
   4.57462663  1.55473214 12.05141624
   6.64975132  6.59022356  6.00278611
   5.39659275  5.69031159 10.73976842
   5.81041473  8.02397287  9.98596308
   2.10769400 16.48565233  3.22642196
   0.63655493 14.93087341 19.92526772
   0.54689009 17.35547697 20.46235596
   1.81381381 18.73347496  3.58047150
   0.24614540 18.99306195 20.74498656
   0.02522924  0.21219872 20.99994698
   2.80681330  4.04459784  7.17577153
   2.35901914  1.98904837  5.90422293
   0.80654915  4.32790299  2.64146266
   3.80968119  7.51580123  9.44445979
   1.86383606  8.05321324  4.90150131
   2.50738794 10.07482879  6.23396544
   3.17101419 17.07819426 21.12457126
   6.08023152 13.75353523  2.34907740
   6.09988306 16.18492294  3.03581997
   3.35662119 19.22702556  0.45107399
   6.21066906 17.93007637  3.54235659
   6.42023189 20.32339105  4.30319756
   1.99340156  5.82783897  0.25647809
   2.37528795  3.33740631  0.41672106
   4.81013810  3.96478822  3.94939229
   1.66237437 10.29549048 21.06645297
   4.11275693  8.41454885  3.73459020
   3.73412569 10.90460183  3.57323220
  20.55244597 19.59521632 14.64202776
  16.58978152 17.80765494 12.10117807
  16.88440981 20.30420657 12.36897717
  20.71296807  0.27762647 14.94133536
  16.94890875  0.81330290 12.78606856
  16.98758235  3.24632669 13.36972448
   2.75911487  6.68719232 17.72151612
   1.58437112  4.67479358 16.82765379
  19.39363154  7.10453393 15.90486360
   4.37350699 10.07346801 20.24579554
   0.09771899 10.57910814 17.81976551
   1.26219594 12.59831271 18.66160661
   0.67590392 21.18487581 13.46440429
   3.82492745 17.72453956 15.32884899
   4.29952721 20.19461638 15.72458919
   0.90051530  1.77408620 13.85308865
   4.57802976  0.83760079 16.06842212
   4.80597390  3.27559960 16.66003312
  19.88589002  9.09472900 13.79277942
  20.74482712  6.78229221 13.87324679
   2.83318755  8.09259349 16.24575238
  18.39094733 13.11460611 13.35755757
   1.46373332 12.30612197 15.66867184
   0.65289305 14.63296147 15.31076147
  17.90408776  2.70048126  7.05621643
  14.53325818  0.84790329  3.81917628
  14.58504704  3.32046422  4.26728635
  17.92784610  4.67765269  7.39419295
  14.64843478  5.13624597  4.52790057
  14.64568855  7.62801944  4.97119338
  20.46486940 10.98034611 10.92279650
  19.58068542  9.03958335  9.67675160
  16.78065520 11.59884838  7.64704915
   1.06696780 14.34708250 12.89374140
  18.37740646 15.08809698  9.94218160
  19.43070136 17.02800832 11.13317035
  19.35036112  4.41793028  5.29434349
  21.15888614  0.63643460  8.06612209
   0.23265087  3.01705876  8.84977687
  19.70051326  6.16318725  5.77668341
   0.38616943  4.85917691  9.46579907
   0.74792235  7.28247347 10.10504283
  18.44153613 13.58557251  4.78289351
  19.03541717 11.20661165  5.17153068
   0.07756489 12.34774992  8.64343285
  17.03588688 17.66650227  4.25890523
  20.23960920 16.60495061  7.92211944
  19.39434435 18.93047950  7.63520857
  14.05620280 19.28287615 10.58843230
  18.62470962 20.81772249  3.62602938
  12.27043291  1.16643001  2.69437846
  13.15051754 11.73126958  4.47172812
  10.02378696  2.57964064  2.80781375
  10.99435000 12.68468028  5.36352280
   9.29509735  5.24450598 15.88504433
  10.26505578 15.71411428 17.86775052
   7.42513978  6.30220999 15.50174974
   7.86091861 16.64029060 18.37739838
   6.52619955  8.90370991  7.47441775
   7.32954987 19.44398139  9.11118043
   3.47797882 10.13623179  8.84646558
   4.60849847 20.53792400 10.56103316
   2.30357565 12.31506751  1.55466029
   1.38903626  1.78162185  3.44106844
   3.39817112 12.69387243 20.38288819
   4.02223919  1.95747163  2.20638303
  19.65438905 15.41523059 13.99381466
  20.38697585  4.53414708 15.65142065
   0.44552627 16.93793064 12.77061460
   1.71278268  5.84377892 15.11226668
  17.56812192 19.83185749  5.80292500
  17.54566016  8.96981921  7.86897723
  18.99126684  0.25295633  4.35112283
  20.41167022 10.14019488  7.25747574
  11.85547209  2.42936003  5.06462146
  12.72446679  0.83081558  0.07743585
  12.43311981  9.84351936  6.26244666
  13.78618618 12.87579355  2.13647710
  10.48605676  4.66913573  1.16989883
   9.40353211  1.21385464  5.02590258
  11.43124876 11.46041281  3.03063343
  10.37050132 13.05203918  7.94647834
   9.11159456  6.51442210 18.23170225
   9.56244342  4.85651572 13.24532426
   9.77035634 13.73260178 19.64996251
  10.76743287 16.89300713 15.49877434
   8.05764785  8.40089467 13.91691496
   6.90072547  4.91498478 17.72706767
   8.57426907 15.56464533 16.00665877
   7.04343089 16.76220033 20.93718787
   6.23916218 10.23683370  9.79413233
   6.99568016  8.47735622  4.85683886
   6.46214152 17.56927096 10.84790322
   8.19987261 20.53365372  6.79895793
   2.98693805 12.17954314  7.15405936
   4.18396455  8.83874391 11.09900875
   4.21229908 19.20579618  8.24640415
   4.94753219 20.94732965 13.18509582
   3.09580585 13.45470086  3.92177504
   1.35672737 12.16198773 20.34516188
   2.24405874  0.00143965  5.27421150
   0.43919940  2.78847642  1.15461367
   1.98193874 14.76693521 19.31132506
   5.13967333 11.38839480  0.68190978
   2.49886693  0.96118339  0.18994552
   5.84131990  1.99614715  4.18867170
   0.39254222 16.79036011 15.12288487
  17.40802988 14.87403364 12.62879695
   0.96591732  2.63719940 16.21250916
  18.16532636  5.65322327 14.62401040
  20.37601369 19.11592004 11.90295432
   2.21544103 15.44568358 14.10614235
  21.04540494  4.63913471 13.66764344
   3.95833592  6.15376487 16.56020142
  19.07989445 21.19367637  7.57111291
  15.67252842 19.33768379  3.97087996
  19.08335455  7.03735743  8.92616656
  15.64751326 10.14536548  6.37122284
  18.15487888  2.54786748  3.24882419
  20.13355055 19.82038958  6.10212247
  19.30864091  9.05726929  5.05362677
   0.37432587 10.29436461  9.64856035
  13.10442712 17.71036262  5.47415190
  15.45499286 17.10932817  5.71396129
  14.27247090 16.60312426  3.65271422
  11.88229129 15.10213765 11.16745611
  11.57326454 14.42552220  8.85214639
  13.64007635 13.86198190 10.02828365
  12.35804434 18.26167521  6.91646388
  10.08852485 18.55100259  6.06751294
  10.53075322 16.95965875  7.85258256
  12.87639284 18.13261355  0.13891623
  13.76576762 16.68404614  1.87277948
  11.39466172 16.58847218  1.29783930
   9.55721032  0.48426364 18.92673878
  11.95588522  0.06079542 18.76390859
  10.47846520 20.68054545 16.94612340
   9.48544147 19.02282954  3.53517128
   8.49042982 18.35140871  1.42160217
  10.87869252 18.04197421  1.80614806
   8.71797961  0.76547861 20.44579228
   6.87460229  1.44271632 19.01095920
   6.54026148 20.97007712 20.68963130
   8.71303967  0.93898141 13.32303456
  10.37379645 21.01437392 14.64808018
   8.00813560 20.54218301 14.97861735
   6.99350388  4.15959459  9.92135700
   9.26840825  3.68209107 10.65482711
   8.54385031  3.03223486  8.42600103
   6.33412750  1.46743896 16.07410080
   5.03819641  1.14090655 14.04369532
   7.34246318  0.36863614 14.15925033
   6.25209122  4.92913748 11.73310125
   3.88124128  5.20356894 11.25231238
   4.60285210  3.64984086 12.97636655
   6.62798898  4.44547058  5.12030050
   7.09959059  2.89714269  6.93305306
   4.79562931  3.29850545  6.23637386
   0.34785532  7.62518265  4.72310959
   2.35001747  7.57144986  3.34593369
   0.28640151  6.59992167  2.51862625
   4.04698755  5.28226885  9.57371363
   2.03717092  4.42677251  8.52090279
   4.18557066  4.33073871  7.34899690
   5.53544245  7.60441204  3.54991201
   3.42143093  7.50100714  4.74435533
   5.16493935  5.88161236  5.22604494
   1.34141541  8.32235655 19.79763827
   2.93415363  6.63308347 20.55348043
   0.70701869  6.72876925  0.26630758
  19.86688518  9.71234052 18.52070224
  21.00678300 10.53728418 16.50926334
  18.93938146  9.29069186 16.31665174
   4.63486252  7.73116795 20.06252235
   2.67344926  6.62425591 19.12130386
   4.37053159  7.58130826 17.65232512
   2.85597223 11.65431440 15.19282929
   1.42347720 11.54759141 17.14714461
   3.40960034 10.14429105 17.01452591
  17.58056052 10.98180001 13.09350280
  19.56592981  9.71927391 12.47591381
  18.64014487  9.51916280 14.71914303
  16.91163335 14.54222030 10.02124397
  18.62362350 14.88938683  8.32041433
  16.49252576 13.88895118  7.71553095
   1.21433445 12.08578767 12.91909203
  20.31089951 11.12851911 12.37120298
   0.71165314 11.48547623 10.62411902
   0.38319446 16.15454330  7.55769109
  20.03692299 15.68240936  9.32411620
   0.89612385 14.49048862  9.25441010
  17.06718788 15.71546359  3.03956792
  19.02672907 14.39060739  3.60779368
  16.92898956 14.04882064  4.80617820
 


--------------------------------------------------------------------------------------------------------


 k-point  1 :   0.0000 0.0000 0.0000  plane waves:  174173

 maximum and minimum number of plane-waves per node :    174173   174173

 maximum number of plane-waves:    174173
 maximum index in each direction: 
   IXMAX=   34   IYMAX=   34   IZMAX=   34
   IXMIN=  -34   IYMIN=  -34   IZMIN=  -34

 The following grids will avoid any aliasing or wrap around errors in the Hartre
 e energy
  - symmetry arguments have not been applied
  - exchange correlation energies might require even more grid points
  - we recommend to set PREC=Normal or Accurate and rely on VASP defaults
 NGX is ok and might be reduce to   140
 NGY is ok and might be reduce to   140
 NGZ is ok and might be reduce to   140

 serial   3D FFT for wavefunctions
 parallel 3D FFT for charge:
    minimum data exchange during FFTs selected (reduces bandwidth)


 total amount of memory used by VASP MPI-rank0  2133693. kBytes
=======================================================================

   base      :      30000. kBytes
   nonlr-proj:     225693. kBytes
   fftplans  :     196345. kBytes
   grid      :     551622. kBytes
   one-center:       1996. kBytes
   wavefun   :    1128037. kBytes
 
 Broyden mixing: mesh for mixing (old mesh)
   NGX = 69   NGY = 69   NGZ = 69
  (NGX  =280   NGY  =280   NGZ  =280)
  gives a total of 328509 points

 initial charge density was supplied:
 charge density of overlapping atoms calculated
 number of electron    2498.0000000 magnetization 
 keeping initial charge density in first step


--------------------------------------------------------------------------------------------------------


 Maximum index for non-local projection operator         5700
 Maximum index for augmentation-charges          922 (set IRDMAX)


--------------------------------------------------------------------------------------------------------


 First call to EWALD:  gamma=   0.083
 Maximum number of real-space cells 3x 3x 3
 Maximum number of reciprocal cells 3x 3x 3



----------------------------------------- Iteration    1(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3208
 total energy-change (2. order) : 0.1692331E+05  (-0.1038842E+06)
 number of electron    2498.0000000 magnetization 
 augmentation part     2498.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -227809.49098323
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9545.14196457
  PAW double counting   =     99755.22751190  -100443.74328721
  entropy T*S    EENTRO =         0.08630360
  eigenvalues    EBANDS =     -8743.85057187
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     16923.31447125 eV

  energy without entropy =    16923.22816766  energy(sigma->0) =    16923.28570339


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(   2)  ---------------------------------------



 eigenvalue-minimisations  :  4200
 total energy-change (2. order) :-0.1928699E+05  (-0.1860383E+05)
 number of electron    2498.0000000 magnetization 
 augmentation part     2498.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -227809.49098323
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9545.14196457
  PAW double counting   =     99755.22751190  -100443.74328721
  entropy T*S    EENTRO =         0.00437584
  eigenvalues    EBANDS =    -28030.75827837
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -2363.67516301 eV

  energy without entropy =    -2363.67953885  energy(sigma->0) =    -2363.67662162


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3608
 total energy-change (2. order) :-0.2157535E+04  (-0.2129334E+04)
 number of electron    2498.0000000 magnetization 
 augmentation part     2498.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -227809.49098323
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9545.14196457
  PAW double counting   =     99755.22751190  -100443.74328721
  entropy T*S    EENTRO =         0.08428674
  eigenvalues    EBANDS =    -30188.37289463
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4521.20986837 eV

  energy without entropy =    -4521.29415510  energy(sigma->0) =    -4521.23796395


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3896
 total energy-change (2. order) :-0.6387883E+02  (-0.6350769E+02)
 number of electron    2498.0000000 magnetization 
 augmentation part     2498.0000000 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -227809.49098323
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9545.14196457
  PAW double counting   =     99755.22751190  -100443.74328721
  entropy T*S    EENTRO =         0.06801277
  eigenvalues    EBANDS =    -30252.23545210
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4585.08869980 eV

  energy without entropy =    -4585.15671258  energy(sigma->0) =    -4585.11137073


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(   5)  ---------------------------------------



 eigenvalue-minimisations  :  4224
 total energy-change (2. order) :-0.2196326E+01  (-0.2192976E+01)
 number of electron    2497.9999905 magnetization 
 augmentation part      167.7830587 magnetization 

 Broyden mixing:
  rms(total) = 0.10860E+02    rms(broyden)= 0.10840E+02
  rms(prec ) = 0.11666E+02
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -227809.49098323
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9545.14196457
  PAW double counting   =     99755.22751190  -100443.74328721
  entropy T*S    EENTRO =         0.06743471
  eigenvalues    EBANDS =    -30254.43120013
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4587.28502590 eV

  energy without entropy =    -4587.35246061  energy(sigma->0) =    -4587.30750413


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3848
 total energy-change (2. order) : 0.2672299E+03  (-0.6683466E+02)
 number of electron    2497.9999909 magnetization 
 augmentation part      152.6428296 magnetization 

 Broyden mixing:
  rms(total) = 0.66439E+01    rms(broyden)= 0.66320E+01
  rms(prec ) = 0.70569E+01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9785
  0.9785

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -230140.08787150
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9703.30659580
  PAW double counting   =    137035.22558546  -137763.55087176
  entropy T*S    EENTRO =         0.22157763
  eigenvalues    EBANDS =    -27775.11367023
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4320.05512111 eV

  energy without entropy =    -4320.27669873  energy(sigma->0) =    -4320.12898032


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(   7)  ---------------------------------------



 eigenvalue-minimisations  :  4072
 total energy-change (2. order) : 0.4222634E+02  (-0.2457416E+02)
 number of electron    2497.9999912 magnetization 
 augmentation part      159.3686743 magnetization 

 Broyden mixing:
  rms(total) = 0.40318E+01    rms(broyden)= 0.40246E+01
  rms(prec ) = 0.43302E+01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2184
  1.8229  0.6138

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -230934.94760758
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9741.49961739
  PAW double counting   =    162168.32842422  -162886.17862561
  entropy T*S    EENTRO =        -0.00006967
  eigenvalues    EBANDS =    -26986.47405310
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4277.82878086 eV

  energy without entropy =    -4277.82871119  energy(sigma->0) =    -4277.82875764


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3952
 total energy-change (2. order) : 0.1784139E+02  (-0.1166005E+02)
 number of electron    2497.9999914 magnetization 
 augmentation part      156.7007960 magnetization 

 Broyden mixing:
  rms(total) = 0.21061E+01    rms(broyden)= 0.21005E+01
  rms(prec ) = 0.23385E+01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1293
  2.0841  0.6520  0.6520

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -232034.68569442
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9809.73664869
  PAW double counting   =    193111.09786177  -193833.30055421
  entropy T*S    EENTRO =         0.02760373
  eigenvalues    EBANDS =    -25932.80679232
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4259.98739326 eV

  energy without entropy =    -4260.01499699  energy(sigma->0) =    -4259.99659450


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(   9)  ---------------------------------------



 eigenvalue-minimisations  :  4040
 total energy-change (2. order) : 0.2041694E+01  (-0.5205184E+01)
 number of electron    2497.9999913 magnetization 
 augmentation part      156.1334397 magnetization 

 Broyden mixing:
  rms(total) = 0.12521E+01    rms(broyden)= 0.12444E+01
  rms(prec ) = 0.13650E+01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1128
  2.2165  1.1303  0.5523  0.5523

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -232339.11882205
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9829.05238409
  PAW double counting   =    204399.16042187  -205120.86575543
  entropy T*S    EENTRO =         0.07141348
  eigenvalues    EBANDS =    -25646.18887450
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4257.94569905 eV

  energy without entropy =    -4258.01711253  energy(sigma->0) =    -4257.96950355


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3768
 total energy-change (2. order) : 0.1503047E+01  (-0.9899273E+00)
 number of electron    2497.9999915 magnetization 
 augmentation part      155.8404050 magnetization 

 Broyden mixing:
  rms(total) = 0.73077E+00    rms(broyden)= 0.72844E+00
  rms(prec ) = 0.79787E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0966
  2.2571  1.3847  0.6736  0.6736  0.4940

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -232529.87607857
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9836.64122746
  PAW double counting   =    211098.59969117  -211820.07497599
  entropy T*S    EENTRO =         0.09269588
  eigenvalues    EBANDS =    -25461.76874533
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4256.44265188 eV

  energy without entropy =    -4256.53534776  energy(sigma->0) =    -4256.47355051


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  11)  ---------------------------------------



 eigenvalue-minimisations  :  3976
 total energy-change (2. order) :-0.3813478E-01  (-0.6231786E+00)
 number of electron    2497.9999913 magnetization 
 augmentation part      155.5243047 magnetization 

 Broyden mixing:
  rms(total) = 0.66130E+00    rms(broyden)= 0.65747E+00
  rms(prec ) = 0.76963E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0376
  2.2604  1.6638  0.6825  0.6825  0.5486  0.3881

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -232595.41770784
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9838.07840430
  PAW double counting   =    213683.90388258  -214404.88368582
  entropy T*S    EENTRO =         0.10332660
  eigenvalues    EBANDS =    -25398.20853996
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4256.48078666 eV

  energy without entropy =    -4256.58411325  energy(sigma->0) =    -4256.51522886


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  12)  ---------------------------------------



 eigenvalue-minimisations  :  4096
 total energy-change (2. order) : 0.1759302E+00  (-0.3748747E+00)
 number of electron    2497.9999915 magnetization 
 augmentation part      155.7930707 magnetization 

 Broyden mixing:
  rms(total) = 0.41679E+00    rms(broyden)= 0.41222E+00
  rms(prec ) = 0.51706E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9791
  2.2531  1.8054  0.7193  0.7193  0.5090  0.5090  0.3389

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -232622.60530314
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9837.59197516
  PAW double counting   =    214786.34674040  -215506.29312478
  entropy T*S    EENTRO =         0.09223071
  eigenvalues    EBANDS =    -25371.38090824
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4256.30485641 eV

  energy without entropy =    -4256.39708712  energy(sigma->0) =    -4256.33559998


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  13)  ---------------------------------------



 eigenvalue-minimisations  :  4128
 total energy-change (2. order) : 0.1996207E+00  (-0.1835374E+00)
 number of electron    2497.9999914 magnetization 
 augmentation part      155.8108267 magnetization 

 Broyden mixing:
  rms(total) = 0.24385E+00    rms(broyden)= 0.24105E+00
  rms(prec ) = 0.30560E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9335
  2.2467  1.8190  0.7940  0.7940  0.5723  0.5723  0.3513  0.3187

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -232647.62447907
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9837.53236456
  PAW double counting   =    215229.19846775  -215948.59249172
  entropy T*S    EENTRO =         0.13917557
  eigenvalues    EBANDS =    -25346.70180632
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4256.10523573 eV

  energy without entropy =    -4256.24441131  energy(sigma->0) =    -4256.15162759


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  14)  ---------------------------------------



 eigenvalue-minimisations  :  3832
 total energy-change (2. order) : 0.4980609E-01  (-0.3355065E-01)
 number of electron    2497.9999915 magnetization 
 augmentation part      155.8151569 magnetization 

 Broyden mixing:
  rms(total) = 0.13867E+00    rms(broyden)= 0.13719E+00
  rms(prec ) = 0.17873E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9170
  2.1909  1.8817  1.0508  0.7191  0.7191  0.5095  0.5095  0.4130  0.2599

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -232675.01142320
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9837.68362950
  PAW double counting   =    215333.60475708  -216052.66721630
  entropy T*S    EENTRO =         0.08702590
  eigenvalues    EBANDS =    -25319.69573612
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4256.05542964 eV

  energy without entropy =    -4256.14245555  energy(sigma->0) =    -4256.08443828


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  15)  ---------------------------------------



 eigenvalue-minimisations  :  3648
 total energy-change (2. order) :-0.3285231E-02  (-0.1660673E-01)
 number of electron    2497.9999914 magnetization 
 augmentation part      155.8526503 magnetization 

 Broyden mixing:
  rms(total) = 0.10202E+00    rms(broyden)= 0.10144E+00
  rms(prec ) = 0.12967E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9198
  2.0804  2.0804  1.3471  0.7756  0.7756  0.5897  0.4839  0.4069  0.4069  0.2513

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -232703.70127121
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9837.88157292
  PAW double counting   =    215333.35157413  -216052.05512372
  entropy T*S    EENTRO =         0.14128872
  eigenvalues    EBANDS =    -25291.62028920
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4256.05871487 eV

  energy without entropy =    -4256.20000359  energy(sigma->0) =    -4256.10581111


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  16)  ---------------------------------------



 eigenvalue-minimisations  :  3936
 total energy-change (2. order) :-0.2676497E-02  (-0.6163157E-02)
 number of electron    2497.9999914 magnetization 
 augmentation part      155.8453522 magnetization 

 Broyden mixing:
  rms(total) = 0.96800E-01    rms(broyden)= 0.96067E-01
  rms(prec ) = 0.11788E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9151
  2.1805  2.1805  1.3753  0.8541  0.7164  0.7164  0.5382  0.5382  0.4137  0.3002
  0.2531

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -232738.67117656
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9838.31611397
  PAW double counting   =    215306.47313915  -216025.01450105
  entropy T*S    EENTRO =         0.07218593
  eigenvalues    EBANDS =    -25257.18068629
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4256.06139137 eV

  energy without entropy =    -4256.13357730  energy(sigma->0) =    -4256.08545335


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  17)  ---------------------------------------



 eigenvalue-minimisations  :  3808
 total energy-change (2. order) : 0.7467036E-04  (-0.2788636E-02)
 number of electron    2497.9999914 magnetization 
 augmentation part      155.8409032 magnetization 

 Broyden mixing:
  rms(total) = 0.41236E-01    rms(broyden)= 0.40664E-01
  rms(prec ) = 0.58183E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9342
  2.3423  2.3423  1.2212  1.2212  0.7401  0.7401  0.5886  0.5886  0.4429  0.4429
  0.2565  0.2842

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -232766.26342388
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9838.73550355
  PAW double counting   =    215279.35427118  -215997.84482560
  entropy T*S    EENTRO =         0.10465239
  eigenvalues    EBANDS =    -25230.09102782
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4256.06131670 eV

  energy without entropy =    -4256.16596909  energy(sigma->0) =    -4256.09620083


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  18)  ---------------------------------------



 eigenvalue-minimisations  :  3656
 total energy-change (2. order) :-0.8656999E-02  (-0.1243788E-02)
 number of electron    2497.9999914 magnetization 
 augmentation part      155.8350658 magnetization 

 Broyden mixing:
  rms(total) = 0.38130E-01    rms(broyden)= 0.37916E-01
  rms(prec ) = 0.51912E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9334
  2.4268  2.4268  1.3597  1.3597  0.7847  0.7847  0.5822  0.5822  0.4511  0.4511
  0.3869  0.2585  0.2795

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -232797.38049536
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9839.14458546
  PAW double counting   =    215242.10019909  -215960.54694152
  entropy T*S    EENTRO =         0.09364454
  eigenvalues    EBANDS =    -25199.42449940
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4256.06997370 eV

  energy without entropy =    -4256.16361824  energy(sigma->0) =    -4256.10118855


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  19)  ---------------------------------------



 eigenvalue-minimisations  :  3960
 total energy-change (2. order) :-0.4449712E-02  (-0.6060834E-03)
 number of electron    2497.9999914 magnetization 
 augmentation part      155.8292272 magnetization 

 Broyden mixing:
  rms(total) = 0.28113E-01    rms(broyden)= 0.27792E-01
  rms(prec ) = 0.39810E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9479
  2.5367  2.5367  1.4760  1.4760  0.8434  0.8434  0.6561  0.5921  0.5921  0.4456
  0.4456  0.2965  0.2609  0.2695

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -232816.94336259
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9839.42241796
  PAW double counting   =    215219.12649078  -215937.56402341
  entropy T*S    EENTRO =         0.10422432
  eigenvalues    EBANDS =    -25180.16370396
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4256.07442341 eV

  energy without entropy =    -4256.17864773  energy(sigma->0) =    -4256.10916485


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  20)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) :-0.6165881E-02  (-0.4084570E-03)
 number of electron    2497.9999914 magnetization 
 augmentation part      155.8218257 magnetization 

 Broyden mixing:
  rms(total) = 0.15302E-01    rms(broyden)= 0.15181E-01
  rms(prec ) = 0.23582E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9693
  2.6406  2.6406  1.7097  1.3569  1.0157  1.0157  0.6903  0.6903  0.5405  0.5405
  0.4388  0.4388  0.2972  0.2616  0.2616

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -232841.12497997
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9839.73134430
  PAW double counting   =    215182.41172123  -215900.82928477
  entropy T*S    EENTRO =         0.09363406
  eigenvalues    EBANDS =    -25156.30655764
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4256.08058929 eV

  energy without entropy =    -4256.17422336  energy(sigma->0) =    -4256.11180065


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  21)  ---------------------------------------



 eigenvalue-minimisations  :  3712
 total energy-change (2. order) :-0.6779721E-02  (-0.2819525E-03)
 number of electron    2497.9999914 magnetization 
 augmentation part      155.8225127 magnetization 

 Broyden mixing:
  rms(total) = 0.12233E-01    rms(broyden)= 0.12182E-01
  rms(prec ) = 0.17562E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0043
  3.2326  2.4913  2.0092  1.2843  1.2843  1.0147  0.7379  0.7379  0.5331  0.5331
  0.5156  0.4374  0.4374  0.2962  0.2619  0.2619

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -232860.74422150
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9839.93753980
  PAW double counting   =    215144.14975065  -215862.54838460
  entropy T*S    EENTRO =         0.09774601
  eigenvalues    EBANDS =    -25136.92333287
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4256.08736901 eV

  energy without entropy =    -4256.18511502  energy(sigma->0) =    -4256.11995102


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  22)  ---------------------------------------



 eigenvalue-minimisations  :  3840
 total energy-change (2. order) :-0.5425643E-02  (-0.1442443E-03)
 number of electron    2497.9999914 magnetization 
 augmentation part      155.8221710 magnetization 

 Broyden mixing:
  rms(total) = 0.77200E-02    rms(broyden)= 0.76759E-02
  rms(prec ) = 0.11221E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0434
  3.9197  2.4371  2.0967  1.4227  1.4227  0.8610  0.8610  0.7420  0.7420  0.5513
  0.5513  0.4475  0.4475  0.4162  0.2959  0.2617  0.2617

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -232875.36876051
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9840.04160862
  PAW double counting   =    215117.41496036  -215835.79787587
  entropy T*S    EENTRO =         0.09719541
  eigenvalues    EBANDS =    -25122.42345615
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4256.09279466 eV

  energy without entropy =    -4256.18999007  energy(sigma->0) =    -4256.12519313


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  23)  ---------------------------------------



 eigenvalue-minimisations  :  3784
 total energy-change (2. order) :-0.4023042E-02  (-0.7060111E-04)
 number of electron    2497.9999914 magnetization 
 augmentation part      155.8246741 magnetization 

 Broyden mixing:
  rms(total) = 0.59317E-02    rms(broyden)= 0.59020E-02
  rms(prec ) = 0.81601E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0749
  4.4494  2.4167  2.0143  2.0143  1.1139  1.0689  1.0689  0.7375  0.7375  0.5400
  0.5400  0.5476  0.4418  0.4418  0.3969  0.2959  0.2617  0.2617

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -232884.40935421
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9840.07025709
  PAW double counting   =    215106.96926666  -215825.34874824
  entropy T*S    EENTRO =         0.09675528
  eigenvalues    EBANDS =    -25113.41852777
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4256.09681770 eV

  energy without entropy =    -4256.19357298  energy(sigma->0) =    -4256.12906946


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  24)  ---------------------------------------



 eigenvalue-minimisations  :  3824
 total energy-change (2. order) :-0.2167962E-02  (-0.3130112E-04)
 number of electron    2497.9999914 magnetization 
 augmentation part      155.8227284 magnetization 

 Broyden mixing:
  rms(total) = 0.42227E-02    rms(broyden)= 0.41978E-02
  rms(prec ) = 0.58238E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0973
  4.9084  2.3444  2.1696  2.1696  1.1996  1.1996  1.0132  0.7685  0.7685  0.6082
  0.6082  0.5128  0.5128  0.4315  0.4315  0.3828  0.2960  0.2617  0.2617

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -232888.71113017
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9840.07604373
  PAW double counting   =    215110.33669227  -215828.72212551
  entropy T*S    EENTRO =         0.09751036
  eigenvalues    EBANDS =    -25109.11950982
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4256.09898566 eV

  energy without entropy =    -4256.19649602  energy(sigma->0) =    -4256.13148911


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  25)  ---------------------------------------



 eigenvalue-minimisations  :  3752
 total energy-change (2. order) :-0.1499912E-02  (-0.1432111E-04)
 number of electron    2497.9999914 magnetization 
 augmentation part      155.8206700 magnetization 

 Broyden mixing:
  rms(total) = 0.26198E-02    rms(broyden)= 0.26066E-02
  rms(prec ) = 0.38397E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1311
  5.3612  2.3695  2.3695  2.1235  1.3524  1.3524  0.9683  0.9683  0.7380  0.7380
  0.6012  0.6012  0.5079  0.5079  0.4313  0.4313  0.3802  0.2960  0.2617  0.2617

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -232891.59322773
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9840.08246245
  PAW double counting   =    215114.11812997  -215832.51057411
  entropy T*S    EENTRO =         0.09749385
  eigenvalues    EBANDS =    -25106.23830348
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4256.10048557 eV

  energy without entropy =    -4256.19797942  energy(sigma->0) =    -4256.13298352


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  26)  ---------------------------------------



 eigenvalue-minimisations  :  3376
 total energy-change (2. order) :-0.1256639E-02  (-0.7999549E-05)
 number of electron    2497.9999914 magnetization 
 augmentation part      155.8204822 magnetization 

 Broyden mixing:
  rms(total) = 0.20346E-02    rms(broyden)= 0.20223E-02
  rms(prec ) = 0.28340E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1720
  5.9065  2.7404  2.3950  1.9430  1.9430  1.0990  1.0990  1.0798  0.7849  0.7849
  0.6065  0.6065  0.5874  0.4881  0.4881  0.4307  0.4307  0.3795  0.2960  0.2617
  0.2617

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -232893.64675886
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9840.07863833
  PAW double counting   =    215115.79512053  -215834.18707873
  entropy T*S    EENTRO =         0.09765926
  eigenvalues    EBANDS =    -25104.18285622
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4256.10174221 eV

  energy without entropy =    -4256.19940147  energy(sigma->0) =    -4256.13429530


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  27)  ---------------------------------------



 eigenvalue-minimisations  :  3176
 total energy-change (2. order) :-0.6769866E-03  (-0.4807985E-05)
 number of electron    2497.9999914 magnetization 
 augmentation part      155.8209517 magnetization 

 Broyden mixing:
  rms(total) = 0.15477E-02    rms(broyden)= 0.15399E-02
  rms(prec ) = 0.20649E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1875
  6.2540  3.0152  2.3447  2.0199  2.0199  1.1659  1.1659  0.8311  0.8311  0.8606
  0.7172  0.7172  0.5715  0.5715  0.4886  0.4886  0.4330  0.4330  0.2617  0.2617
  0.2960  0.3771

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -232894.70117772
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9840.07118646
  PAW double counting   =    215115.83473634  -215834.22424259
  entropy T*S    EENTRO =         0.09775739
  eigenvalues    EBANDS =    -25103.12421257
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4256.10241920 eV

  energy without entropy =    -4256.20017659  energy(sigma->0) =    -4256.13500500


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  28)  ---------------------------------------



 eigenvalue-minimisations  :  2656
 total energy-change (2. order) :-0.3229605E-03  (-0.2481378E-05)
 number of electron    2497.9999914 magnetization 
 augmentation part      155.8214653 magnetization 

 Broyden mixing:
  rms(total) = 0.86281E-03    rms(broyden)= 0.85421E-03
  rms(prec ) = 0.12008E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2079
  6.5055  3.3050  2.3229  2.1558  1.8554  1.2917  1.2917  1.0436  1.0436  0.7816
  0.7816  0.6173  0.6173  0.5601  0.5601  0.4942  0.4942  0.4322  0.4322  0.2617
  0.2617  0.2960  0.3768

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -232895.06443848
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9840.06535836
  PAW double counting   =    215116.59385335  -215834.98255139
  entropy T*S    EENTRO =         0.09742255
  eigenvalues    EBANDS =    -25102.75592004
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4256.10274216 eV

  energy without entropy =    -4256.20016471  energy(sigma->0) =    -4256.13521634


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  29)  ---------------------------------------



 eigenvalue-minimisations  :  2496
 total energy-change (2. order) :-0.2137352E-03  (-0.1290335E-05)
 number of electron    2497.9999914 magnetization 
 augmentation part      155.8214038 magnetization 

 Broyden mixing:
  rms(total) = 0.74984E-03    rms(broyden)= 0.74779E-03
  rms(prec ) = 0.96330E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2458
  6.8024  3.7126  2.3583  2.3583  1.8273  1.8273  1.1126  1.1126  0.8848  0.8321
  0.8321  0.7635  0.7635  0.5761  0.5761  0.5122  0.4920  0.4920  0.4330  0.4330
  0.2617  0.2617  0.2960  0.3773

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -232895.25137698
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9840.06337783
  PAW double counting   =    215117.80171501  -215836.19184897
  entropy T*S    EENTRO =         0.09736923
  eigenvalues    EBANDS =    -25102.56572550
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4256.10295590 eV

  energy without entropy =    -4256.20032513  energy(sigma->0) =    -4256.13541231


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  30)  ---------------------------------------



 eigenvalue-minimisations  :  2464
 total energy-change (2. order) :-0.1230218E-03  (-0.9852779E-06)
 number of electron    2497.9999914 magnetization 
 augmentation part      155.8212996 magnetization 

 Broyden mixing:
  rms(total) = 0.34800E-03    rms(broyden)= 0.34521E-03
  rms(prec ) = 0.48456E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2706
  7.0905  4.1159  2.4430  2.4430  1.8825  1.8825  1.1441  1.1441  0.9887  0.9887
  0.7804  0.7804  0.6709  0.6606  0.5975  0.5975  0.4992  0.4992  0.4945  0.4333
  0.4333  0.2617  0.2617  0.2960  0.3770

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -232895.37556906
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9840.06449205
  PAW double counting   =    215118.08797860  -215836.47904191
  entropy T*S    EENTRO =         0.09758036
  eigenvalues    EBANDS =    -25102.44205245
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4256.10307892 eV

  energy without entropy =    -4256.20065928  energy(sigma->0) =    -4256.13560570


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  31)  ---------------------------------------



 eigenvalue-minimisations  :  2400
 total energy-change (2. order) :-0.4226540E-04  (-0.4255862E-06)
 number of electron    2497.9999914 magnetization 
 augmentation part      155.8212163 magnetization 

 Broyden mixing:
  rms(total) = 0.24172E-03    rms(broyden)= 0.24031E-03
  rms(prec ) = 0.32806E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2877
  7.2855  4.3779  2.4829  2.4829  2.0837  1.7119  1.2407  1.2407  1.0625  1.0625
  0.8261  0.8261  0.7435  0.7435  0.5850  0.5850  0.5985  0.2617  0.2617  0.2960
  0.4959  0.4959  0.4332  0.4332  0.4859  0.3770

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -232895.44618723
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9840.06551005
  PAW double counting   =    215117.66526807  -215836.05605334
  entropy T*S    EENTRO =         0.09758916
  eigenvalues    EBANDS =    -25102.37278138
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4256.10312118 eV

  energy without entropy =    -4256.20071034  energy(sigma->0) =    -4256.13565090


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  32)  ---------------------------------------



 eigenvalue-minimisations  :  2328
 total energy-change (2. order) :-0.2159594E-04  (-0.2202901E-06)
 number of electron    2497.9999914 magnetization 
 augmentation part      155.8212357 magnetization 

 Broyden mixing:
  rms(total) = 0.15596E-03    rms(broyden)= 0.15574E-03
  rms(prec ) = 0.21615E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3175
  7.4885  4.7333  2.7097  2.5153  2.1183  1.6843  1.6843  1.0966  1.0966  1.0178
  1.0178  0.8036  0.8036  0.7314  0.6914  0.6914  0.5738  0.5738  0.2617  0.2617
  0.2960  0.4950  0.4950  0.4333  0.4333  0.4876  0.3770

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -232895.47563700
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9840.06579885
  PAW double counting   =    215117.22070692  -215835.61075087
  entropy T*S    EENTRO =         0.09758151
  eigenvalues    EBANDS =    -25102.34437568
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4256.10314278 eV

  energy without entropy =    -4256.20072429  energy(sigma->0) =    -4256.13566995


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  33)  ---------------------------------------



 eigenvalue-minimisations  :  2320
 total energy-change (2. order) :-0.1225996E-04  (-0.1545133E-06)
 number of electron    2497.9999914 magnetization 
 augmentation part      155.8212956 magnetization 

 Broyden mixing:
  rms(total) = 0.95874E-04    rms(broyden)= 0.95150E-04
  rms(prec ) = 0.13216E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3329
  7.6043  5.0055  2.9769  2.4183  2.1293  1.9807  1.6067  1.1573  1.1573  1.0746
  1.0746  0.8341  0.8341  0.7476  0.7476  0.6555  0.5861  0.5861  0.6009  0.2617
  0.2617  0.2960  0.4965  0.4965  0.4333  0.4333  0.4873  0.3770

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -232895.49424756
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9840.06592260
  PAW double counting   =    215117.05151642  -215835.44111314
  entropy T*S    EENTRO =         0.09753566
  eigenvalues    EBANDS =    -25102.32630250
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4256.10315504 eV

  energy without entropy =    -4256.20069070  energy(sigma->0) =    -4256.13566693


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  34)  ---------------------------------------



 eigenvalue-minimisations  :  2296
 total energy-change (2. order) :-0.4087051E-05  (-0.6381720E-07)
 number of electron    2497.9999914 magnetization 
 augmentation part      155.8212956 magnetization 

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =      2907.85871891
  Ewald energy   TEWEN  =    112347.99140102
  -Hartree energ DENC   =   -232895.50508248
  -exchange      EXHF   =         0.00000000
  -V(xc)+E(xc)   XCENC  =      9840.06614742
  PAW double counting   =    215117.12818189  -215835.51793030
  entropy T*S    EENTRO =         0.09755636
  eigenvalues    EBANDS =    -25102.31556549
  atomic energy  EATOM  =    129364.09341355
  Solvation  Ediel_sol  =         0.00000000
  ---------------------------------------------------
  free energy    TOTEN  =     -4256.10315913 eV

  energy without entropy =    -4256.20071548  energy(sigma->0) =    -4256.13567791


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0026       2 -56.3969       3 -55.9494       4 -55.7042       5 -55.7153
       6 -56.0777       7 -58.0410       8 -58.2282       9 -55.9529      10 -55.7841
      11 -56.0389      12 -55.6008      13 -55.4420      14 -56.0370      15 -58.0740
      16 -58.1113      17 -56.7165      18 -55.1170      19 -54.6509      20 -55.5302
      21 -55.7689      22 -55.6706      23 -55.4941      24 -55.7855      25 -55.1600
      26 -54.8685      27 -54.9601      28 -55.0905      29 -60.8339      30 -60.6466
      31 -55.8491      32 -56.0734      33 -55.5889      34 -55.1994      35 -55.4250
      36 -55.8245      37 -58.0105      38 -58.2802      39 -55.6266      40 -55.2393
      41 -56.3030      42 -55.2141      43 -55.3458      44 -55.7443      45 -57.9864
      46 -58.3043      47 -56.6105      48 -55.2171      49 -54.6987      50 -55.3302
      51 -56.0114      52 -55.6692      53 -55.2380      54 -56.5259      55 -54.8384
      56 -54.4573      57 -54.6180      58 -56.2518      59 -61.1742      60 -61.1173
      61 -56.4589      62 -56.5896      63 -56.2255      64 -56.2590      65 -56.0625
      66 -56.2121      67 -58.0965      68 -58.2715      69 -56.0364      70 -55.8646
      71 -56.1132      72 -55.6542      73 -55.4559      74 -56.1014      75 -58.2558
      76 -58.1075      77 -56.7015      78 -55.1665      79 -54.7292      80 -55.6925
      81 -55.8983      82 -55.7015      83 -55.4656      84 -55.8935      85 -55.1959
      86 -55.2541      87 -55.1610      88 -56.6577      89 -61.2065      90 -61.1352
      91 -55.9424      92 -56.2138      93 -55.6565      94 -55.2385      95 -55.2027
      96 -55.7262      97 -58.1265      98 -58.5226      99 -55.8408     100 -55.6981
     101 -56.1352     102 -55.3442     103 -55.3848     104 -55.8537     105 -58.0653
     106 -58.3797     107 -56.5683     108 -55.1310     109 -55.4155     110 -55.2182
     111 -56.0482     112 -55.7698     113 -55.8225     114 -56.0517     115 -55.6156
     116 -55.0862     117 -55.2209     118 -56.6968     119 -61.5246     120 -60.9265
     121 -56.0788     122 -56.1559     123 -55.8122     124 -55.6880     125 -55.7175
     126 -56.0896     127 -58.1433     128 -58.1704     129 -56.1500     130 -55.8716
     131 -56.2774     132 -55.7618     133 -55.7547     134 -56.1407     135 -58.1939
     136 -58.3201     137 -56.7718     138 -55.6308     139 -55.1230     140 -55.6486
     141 -56.1173     142 -56.0562     143 -55.8066     144 -56.1717     145 -55.7618
     146 -56.4924     147 -56.6576     148 -56.8321     149 -61.0584     150 -61.3669
     151 -55.8511     152 -55.9284     153 -55.5814     154 -55.4352     155 -55.4499
     156 -55.8307     157 -58.0023     158 -57.9324     159 -55.7676     160 -55.5675
     161 -56.1063     162 -55.4130     163 -55.4616     164 -55.8817     165 -58.1067
     166 -58.0750     167 -56.7052     168 -55.3829     169 -54.8357     170 -55.7815
     171 -56.1705     172 -56.0999     173 -56.2112     174 -55.8413     175 -55.0097
     176 -55.3532     177 -54.7241     178 -56.1832     179 -61.0079     180 -61.5619
     181 -56.1693     182 -55.9484     183 -55.4670     184 -55.4850     185 -55.1691
     186 -55.8494     187 -58.4941     188 -57.8732     189 -55.9619     190 -55.6903
     191 -56.0004     192 -55.5409     193 -55.5039     194 -55.9471     195 -58.0152
     196 -58.1267     197 -56.4686     198 -54.9595     199 -54.7184     200 -55.3159
     201 -56.0169     202 -55.6525     203 -55.6466     204 -55.9092     205 -55.1565
     206 -55.5842     207 -55.0137     208 -56.4585     209 -60.9802     210 -61.0388
     211 -56.1801     212 -56.3390     213 -55.8017     214 -55.6649     215 -55.6394
     216 -56.0980     217 -58.2412     218 -58.5093     219 -56.2144     220 -55.9462
     221 -56.3220     222 -55.7879     223 -55.6653     224 -56.1826     225 -58.2692
     226 -58.5226     227 -56.6955     228 -55.2906     229 -55.0541     230 -55.4943
     231 -56.1115     232 -56.0203     233 -56.6826     234 -56.0001     235 -55.5645
     236 -55.2540     237 -55.2502     238 -56.6517     239 -61.1850     240 -60.9323
     241 -56.0648     242 -56.1335     243 -55.9488     244 -55.6270     245 -55.6558
     246 -55.9722     247 -58.1571     248 -58.3458     249 -56.0793     250 -55.7841
     251 -56.2350     252 -55.6068     253 -55.6615     254 -55.9972     255 -58.1500
     256 -58.0435     257 -56.9469     258 -56.4017     259 -55.6256     260 -56.0028
     261 -56.1081     262 -56.5907     263 -56.1882     264 -56.6558     265 -55.7307
     266 -56.5264     267 -57.6925     268 -57.7354     269 -61.5597     270 -61.3238
     271 -56.1223     272 -56.1511     273 -55.6818     274 -55.8093     275 -55.7605
     276 -55.9969     277 -58.3801     278 -58.3005     279 -55.6081     280 -56.0231
     281 -56.5848     282 -55.3233     283 -55.1752     284 -55.7805     285 -58.2313
     286 -58.0437     287 -56.8264     288 -55.5999     289 -54.8122     290 -56.1451
     291 -56.1522     292 -56.3058     293 -55.7661     294 -56.3952     295 -55.1294
     296 -54.9815     297 -54.8966     298 -56.4749     299 -61.0525     300 -61.9286
     301 -55.9825     302 -56.1876     303 -55.8579     304 -55.5363     305 -55.5647
     306 -55.9941     307 -58.0215     308 -58.4255     309 -56.0842     310 -55.8097
     311 -56.1845     312 -55.6991     313 -55.6828     314 -56.0994     315 -58.1457
     316 -58.1426     317 -56.4837     318 -55.2235     319 -54.7838     320 -55.2265
     321 -55.7663     322 -55.5394     323 -55.3128     324 -55.7846     325 -54.9397
     326 -55.6677     327 -55.3017     328 -56.6212     329 -60.4195     330 -60.8862
     331 -55.9839     332 -55.8293     333 -55.3719     334 -55.3454     335 -55.2993
     336 -55.6297     337 -58.1210     338 -57.9500     339 -55.5842     340 -55.3053
     341 -55.7103     342 -55.2835     343 -55.3447     344 -55.7067     345 -57.7294
     346 -57.7810     347 -56.2794     348 -54.8070     349 -54.4484     350 -55.2586
     351 -55.8158     352 -55.4902     353 -55.5081     354 -55.7091     355 -55.1382
     356 -54.5445     357 -54.9861     358 -56.3686     359 -60.8294     360 -61.0267
     361 -39.1069     362 -38.7064     363 -38.9924     364 -39.0338     365 -38.8371
     366 -38.3784     367 -39.0624     368 -38.2414     369 -38.2960     370 -38.2244
     371 -38.9165     372 -38.1967     373 -38.8031     374 -38.2743     375 -38.6807
     376 -38.7081     377 -38.4959     378 -38.4220     379 -39.0257     380 -38.0574
     381 -38.2684     382 -37.8606     383 -39.0642     384 -37.6334     385 -39.1915
     386 -39.1042     387 -39.1128     388 -38.9877     389 -38.8941     390 -38.3810
     391 -39.6506     392 -38.0647     393 -38.6180     394 -38.0293     395 -39.1998
     396 -38.2907     397 -38.9301     398 -38.1965     399 -38.4821     400 -38.9515
     401 -38.2818     402 -38.5109     403 -39.2409     404 -38.0617     405 -38.1198
     406 -38.5470     407 -39.0295     408 -37.8965     409 -38.8121     410 -38.6388
     411 -38.9934     412 -38.9278     413 -39.0474     414 -38.7179     415 -39.8649
     416 -39.2562     417 -38.3694     418 -38.5397     419 -39.9973     420 -39.1361
     421 -38.6023     422 -38.3512     423 -38.5794     424 -38.6923     425 -38.4214
     426 -38.9145     427 -39.1484     428 -38.1760     429 -38.7866     430 -38.0215
     431 -39.7155     432 -37.6777     433 -38.4662     434 -38.5985     435 -38.6393
     436 -38.6678     437 -38.8301     438 -38.3979     439 -39.6115     440 -37.8613
     441 -38.0773     442 -38.2263     443 -39.5406     444 -37.9718     445 -38.8283
     446 -38.6818     447 -38.8415     448 -38.9601     449 -38.9191     450 -38.4408
     451 -39.1433     452 -37.9743     453 -38.2601     454 -38.7336     455 -39.3212
     456 -38.1100     457 -39.1057     458 -38.6281     459 -38.8702     460 -39.1343
     461 -38.9021     462 -38.6234     463 -39.8539     464 -39.6410     465 -38.7392
     466 -38.5496     467 -40.5558     468 -39.5203     469 -39.0233     470 -38.9531
     471 -38.8528     472 -39.1355     473 -38.5921     474 -38.2690     475 -39.3530
     476 -38.4620     477 -39.0974     478 -38.0393     479 -39.4093     480 -37.7639
     481 -38.9515     482 -38.4453     483 -38.7353     484 -38.8826     485 -38.8381
     486 -38.6350     487 -39.4199     488 -38.6243     489 -38.0080     490 -37.9031
     491 -39.2248     492 -38.3564     493 -38.6058     494 -38.2295     495 -38.5541
     496 -38.5448     497 -38.4918     498 -38.3623     499 -38.7569     500 -37.6173
     501 -38.2134     502 -37.9321     503 -38.8652     504 -37.7655     505 -38.3303
     506 -40.8660     507 -71.6742     508 -71.8587     509 -72.0156     510 -71.9451
     511 -71.8324     512 -71.8364     513 -71.9626     514 -71.8428     515 -71.8177
     516 -71.9638     517 -71.5202     518 -71.8927     519 -71.8231     520 -71.8881
     521 -72.2317     522 -71.9612     523 -71.9003     524 -72.0553     525 -72.0936
     526 -72.7081     527 -71.8071     528 -71.8952     529 -71.4608     530 -71.5146
     531 -76.0777     532 -75.6383     533 -75.9115     534 -75.5550     535 -75.8199
     536 -75.6158     537 -76.0351     538 -75.8727     539 -76.3768     540 -76.7563
     541 -75.6329     542 -75.6568     543 -76.2260     544 -75.7994     545 -76.4095
     546 -75.9845     547 -76.1688     548 -76.1860     549 -76.6978     550 -76.0998
     551 -75.7994     552 -75.7062     553 -75.9625     554 -76.5081     555 -75.5669
     556 -77.6174     557 -76.0151     558 -75.9063     559 -76.6042     560 -76.0248
     561 -76.4560     562 -76.1508     563 -76.3594     564 -75.7330     565 -77.4221
     566 -76.0196     567 -76.0708     568 -75.5671     569 -75.9796     570 -76.2465
     571 -76.6122     572 -75.9614     573 -76.1705     574 -76.0443     575 -75.6948
     576 -75.5557     577 -75.6366     578 -75.9814     579 -82.7908     580 -82.5032
     581 -82.1599     582 -82.3599     583 -82.5280     584 -82.4796     585 -82.9430
     586 -82.6554     587 -82.5755     588 -82.4447     589 -82.3876     590 -82.8495
     591 -83.4016     592 -82.5403     593 -83.0956     594 -82.7796     595 -82.8461
     596 -84.3558     597 -83.2326     598 -82.7313     599 -82.4720     600 -82.5748
     601 -82.8994     602 -83.1765     603 -83.9935     604 -83.0062     605 -82.9419
     606 -82.9274     607 -83.0576     608 -84.0069     609 -84.5084     610 -83.0929
     611 -82.9198     612 -82.2579     613 -82.4907     614 -82.8582     615 -82.7005
     616 -84.4888     617 -82.5430     618 -83.8852     619 -83.0021     620 -83.4064
     621 -82.5041     622 -83.7387     623 -82.6805     624 -83.7256     625 -83.6090
     626 -82.8443     627 -82.7306     628 -84.2588     629 -82.9538     630 -82.8946
     631 -84.2107     632 -82.9897     633 -83.3402     634 -85.8347     635 -83.3804
     636 -82.3986     637 -82.8562     638 -82.8206     639 -82.4503     640 -82.9111
     641 -82.2352     642 -82.2606     643 -83.5993     644 -82.8122     645 -82.6143
     646 -83.7864     647 -82.5181     648 -82.1095     649 -82.3788     650 -82.3593
 
 
 
 E-fermi :  -0.6617     XC(G=0):  -6.3714     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -31.1753      2.00000
      2     -30.9866      2.00000
      3     -30.9436      2.00000
      4     -30.2295      2.00000
      5     -30.0268      2.00000
      6     -29.6372      2.00000
      7     -29.5517      2.00000
      8     -29.2986      2.00000
      9     -29.1417      2.00000
     10     -29.0899      2.00000
     11     -28.8623      2.00000
     12     -28.8052      2.00000
     13     -28.6738      2.00000
     14     -28.5757      2.00000
     15     -28.2034      2.00000
     16     -28.1402      2.00000
     17     -28.1194      2.00000
     18     -27.9473      2.00000
     19     -27.8391      2.00000
     20     -27.7978      2.00000
     21     -27.6634      2.00000
     22     -27.5945      2.00000
     23     -27.5566      2.00000
     24     -27.5410      2.00000
     25     -27.5349      2.00000
     26     -27.5260      2.00000
     27     -27.4619      2.00000
     28     -27.3308      2.00000
     29     -27.2814      2.00000
     30     -27.2308      2.00000
     31     -27.1437      2.00000
     32     -27.1095      2.00000
     33     -27.0909      2.00000
     34     -27.0830      2.00000
     35     -27.0524      2.00000
     36     -27.0468      2.00000
     37     -27.0176      2.00000
     38     -26.9690      2.00000
     39     -26.8940      2.00000
     40     -26.8687      2.00000
     41     -26.8651      2.00000
     42     -26.8202      2.00000
     43     -26.7926      2.00000
     44     -26.7162      2.00000
     45     -26.6494      2.00000
     46     -26.5895      2.00000
     47     -26.5512      2.00000
     48     -26.4784      2.00000
     49     -26.4714      2.00000
     50     -26.3820      2.00000
     51     -26.3586      2.00000
     52     -26.3464      2.00000
     53     -26.3398      2.00000
     54     -26.2627      2.00000
     55     -26.2439      2.00000
     56     -26.2438      2.00000
     57     -26.2279      2.00000
     58     -26.2035      2.00000
     59     -26.1794      2.00000
     60     -26.1363      2.00000
     61     -26.0854      2.00000
     62     -26.0510      2.00000
     63     -26.0386      2.00000
     64     -26.0258      2.00000
     65     -26.0083      2.00000
     66     -25.9560      2.00000
     67     -25.9189      2.00000
     68     -25.8534      2.00000
     69     -25.7717      2.00000
     70     -25.7703      2.00000
     71     -25.7044      2.00000
     72     -25.5768      2.00000
     73     -23.1790      2.00000
     74     -22.2542      2.00000
     75     -22.1889      2.00000
     76     -21.9239      2.00000
     77     -21.7665      2.00000
     78     -21.5989      2.00000
     79     -21.4307      2.00000
     80     -21.4081      2.00000
     81     -21.3833      2.00000
     82     -21.1449      2.00000
     83     -20.9366      2.00000
     84     -20.9067      2.00000
     85     -20.8455      2.00000
     86     -20.8259      2.00000
     87     -20.6743      2.00000
     88     -20.6647      2.00000
     89     -20.6011      2.00000
     90     -20.5606      2.00000
     91     -20.5172      2.00000
     92     -20.5158      2.00000
     93     -20.4889      2.00000
     94     -20.3911      2.00000
     95     -20.3475      2.00000
     96     -20.2659      2.00000
     97     -20.2566      2.00000
     98     -20.2123      2.00000
     99     -20.1748      2.00000
    100     -19.9810      2.00000
    101     -19.9528      2.00000
    102     -19.9047      2.00000
    103     -19.8864      2.00000
    104     -19.8824      2.00000
    105     -19.8202      2.00000
    106     -19.7516      2.00000
    107     -19.6343      2.00000
    108     -19.6229      2.00000
    109     -19.6146      2.00000
    110     -19.6105      2.00000
    111     -19.5260      2.00000
    112     -19.5144      2.00000
    113     -19.4822      2.00000
    114     -19.4220      2.00000
    115     -19.3742      2.00000
    116     -19.3337      2.00000
    117     -19.3214      2.00000
    118     -19.2870      2.00000
    119     -19.1964      2.00000
    120     -19.1645      2.00000
    121     -19.1055      2.00000
    122     -19.0805      2.00000
    123     -19.0287      2.00000
    124     -18.9659      2.00000
    125     -18.9604      2.00000
    126     -18.9517      2.00000
    127     -18.9426      2.00000
    128     -18.8979      2.00000
    129     -18.8970      2.00000
    130     -18.8554      2.00000
    131     -18.8211      2.00000
    132     -18.8117      2.00000
    133     -18.8053      2.00000
    134     -18.7941      2.00000
    135     -18.7899      2.00000
    136     -18.7816      2.00000
    137     -18.7361      2.00000
    138     -18.7219      2.00000
    139     -18.7071      2.00000
    140     -18.6604      2.00000
    141     -18.6141      2.00000
    142     -18.6017      2.00000
    143     -18.5890      2.00000
    144     -18.5658      2.00000
    145     -18.5422      2.00000
    146     -18.5188      2.00000
    147     -18.4942      2.00000
    148     -18.4684      2.00000
    149     -18.4547      2.00000
    150     -18.4517      2.00000
    151     -18.4509      2.00000
    152     -18.4396      2.00000
    153     -18.4255      2.00000
    154     -18.4059      2.00000
    155     -18.3792      2.00000
    156     -18.3786      2.00000
    157     -18.3518      2.00000
    158     -18.3455      2.00000
    159     -18.3388      2.00000
    160     -18.2905      2.00000
    161     -18.2516      2.00000
    162     -18.2199      2.00000
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    164     -18.1934      2.00000
    165     -18.1894      2.00000
    166     -18.1733      2.00000
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    168     -18.1175      2.00000
    169     -18.1089      2.00000
    170     -18.0693      2.00000
    171     -18.0514      2.00000
    172     -18.0012      2.00000
    173     -17.9828      2.00000
    174     -17.9676      2.00000
    175     -17.9600      2.00000
    176     -17.9516      2.00000
    177     -17.9112      2.00000
    178     -17.8799      2.00000
    179     -17.8589      2.00000
    180     -17.8480      2.00000
    181     -17.8461      2.00000
    182     -17.7862      2.00000
    183     -17.7107      2.00000
    184     -17.6909      2.00000
    185     -17.6580      2.00000
    186     -17.6411      2.00000
    187     -17.6145      2.00000
    188     -17.5768      2.00000
    189     -17.5762      2.00000
    190     -17.5732      2.00000
    191     -17.5014      2.00000
    192     -17.4670      2.00000
    193     -17.3690      2.00000
    194     -16.9742      2.00000
    195     -16.9238      2.00000
    196     -16.8286      2.00000
    197     -16.7669      2.00000
    198     -16.7546      2.00000
    199     -16.7108      2.00000
    200     -16.6691      2.00000
    201     -16.5952      2.00000
    202     -16.5383      2.00000
    203     -16.5293      2.00000
    204     -16.4989      2.00000
    205     -16.4710      2.00000
    206     -16.4224      2.00000
    207     -16.4148      2.00000
    208     -16.3969      2.00000
    209     -16.3444      2.00000
    210     -16.3365      2.00000
    211     -16.3203      2.00000
    212     -16.2888      2.00000
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    214     -16.2287      2.00000
    215     -16.2219      2.00000
    216     -16.1942      2.00000
    217     -16.1647      2.00000
    218     -16.1401      2.00000
    219     -16.1253      2.00000
    220     -16.0886      2.00000
    221     -16.0823      2.00000
    222     -16.0472      2.00000
    223     -16.0238      2.00000
    224     -16.0072      2.00000
    225     -15.9727      2.00000
    226     -15.9414      2.00000
    227     -15.9008      2.00000
    228     -15.8786      2.00000
    229     -15.8584      2.00000
    230     -15.8414      2.00000
    231     -15.8184      2.00000
    232     -15.8029      2.00000
    233     -15.7539      2.00000
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    235     -15.6871      2.00000
    236     -15.6679      2.00000
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    238     -15.5979      2.00000
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    240     -15.5765      2.00000
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    255     -15.3205      2.00000
    256     -15.3101      2.00000
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    266     -15.1001      2.00000
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    270     -15.0431      2.00000
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    276     -14.8836      2.00000
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    300     -14.0128      2.00000
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   1512       4.6813      0.00000
   1513       4.7194      0.00000
   1514       4.7223      0.00000
   1515       4.7256      0.00000
   1516       4.7376      0.00000
   1517       4.7550      0.00000
   1518       4.7654      0.00000
   1519       4.7888      0.00000
   1520       4.7919      0.00000
   1521       4.7951      0.00000
   1522       4.8128      0.00000
   1523       4.8169      0.00000
   1524       4.8306      0.00000
   1525       4.8402      0.00000
   1526       4.8449      0.00000
   1527       4.8594      0.00000
   1528       4.8693      0.00000
   1529       4.8930      0.00000
   1530       4.9003      0.00000
   1531       4.9031      0.00000
   1532       4.9181      0.00000
   1533       4.9219      0.00000
   1534       4.9306      0.00000
   1535       4.9465      0.00000
   1536       4.9516      0.00000
   1537       4.9689      0.00000
   1538       4.9722      0.00000
   1539       4.9880      0.00000
   1540       5.0104      0.00000
   1541       5.0156      0.00000
   1542       5.0376      0.00000
   1543       5.0452      0.00000
   1544       5.0597      0.00000
   1545       5.0806      0.00000
   1546       5.0818      0.00000
   1547       5.0875      0.00000
   1548       5.0999      0.00000
   1549       5.1176      0.00000
   1550       5.1206      0.00000
   1551       5.1280      0.00000
   1552       5.1417      0.00000
   1553       5.1579      0.00000
   1554       5.1725      0.00000
   1555       5.1892      0.00000
   1556       5.1945      0.00000
   1557       5.2134      0.00000
   1558       5.2261      0.00000
   1559       5.2324      0.00000
   1560       5.2391      0.00000
   1561       5.2539      0.00000
   1562       5.2690      0.00000
   1563       5.2793      0.00000
   1564       5.2897      0.00000
   1565       5.3052      0.00000
   1566       5.3200      0.00000
   1567       5.3323      0.00000
   1568       5.3464      0.00000
   1569       5.3538      0.00000
   1570       5.3662      0.00000
   1571       5.4019      0.00000
   1572       5.4125      0.00000
   1573       5.4338      0.00000
   1574       5.4456      0.00000
   1575       5.4707      0.00000
   1576       5.5068      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.085  13.408  -0.001   0.001  -0.000  -0.001  -0.005   0.001
 13.408  17.826  -0.001   0.002  -0.000  -0.001  -0.007   0.001
 -0.001  -0.001  -4.231   0.002  -0.001   8.277  -0.003   0.002
  0.001   0.002   0.002  -4.233   0.002  -0.003   8.279  -0.003
 -0.000  -0.000  -0.001   0.002  -4.222   0.002  -0.003   8.263
 -0.001  -0.001   8.277  -0.003   0.002 -18.322   0.003  -0.003
 -0.005  -0.007  -0.003   8.279  -0.003   0.003 -18.320   0.004
  0.001   0.001   0.002  -0.003   8.263  -0.003   0.004 -18.301
 total augmentation occupancy for first ion, spin component:           1
  8.357  -3.752   0.338   0.124  -0.012   0.046   0.023  -0.004
 -3.752   1.756  -0.160  -0.089  -0.000  -0.021  -0.013   0.003
  0.338  -0.160   1.676  -0.080   0.024   0.159  -0.011   0.005
  0.124  -0.089  -0.080   1.921  -0.116  -0.011   0.182  -0.019
 -0.012  -0.000   0.024  -0.116   1.283   0.005  -0.019   0.082
  0.046  -0.021   0.159  -0.011   0.005   0.016  -0.001   0.001
  0.023  -0.013  -0.011   0.182  -0.019  -0.001   0.019  -0.002
 -0.004   0.003   0.005  -0.019   0.082   0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -63069.90708123110.04140 52305.62634-13499.68331  3728.15104 35821.02245
  Hartree -9162.10398151996.05446 90061.58471-13947.85465  1747.64743 30685.58391
  E(xc)  -10645.32146-10534.97797-10563.59333     2.68579     8.16682    23.49619
  Local   39017.02001************************ 27458.84900 -5486.49999-66083.55511
  n-local -5682.64616 -5740.10041 -5738.41462    -0.36979    -2.69204   -15.97167
  augment  1448.44670  1521.73340  1443.12549     5.10807    18.23329    -2.17897
  Kinetic 45352.99942 43000.81046 43407.58887   -34.13287   -45.54457  -570.66688
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      166.3461706   -683.8110039   -246.3627613    -15.3977412    -32.5380309   -142.2700759
  in kB       27.7395555   -114.0309584    -41.0829624     -2.5676966     -5.4259771    -23.7246739
  external PRESSURE =     -42.4581218 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.349E+03 -.954E+02 0.239E+03   0.350E+03 0.943E+02 -.241E+03   0.538E+00 -.280E+01 0.151E+01   0.349E-05 -.268E-04 0.899E-05
   -.313E+03 -.123E+03 0.275E+02   0.314E+03 0.123E+03 -.263E+02   -.317E+00 -.214E+01 0.138E+01   0.189E-04 -.233E-05 0.169E-04
   -.260E+03 -.145E+03 -.117E+02   0.261E+03 0.147E+03 0.136E+02   0.114E+01 -.160E+01 -.260E+01   0.389E-04 -.598E-04 0.745E-04
   -.323E+03 -.110E+03 0.362E+03   0.323E+03 0.110E+03 -.365E+03   0.106E+00 0.402E+00 0.231E+01   -.373E-04 -.116E-03 0.705E-04
   -.271E+03 -.164E+03 0.324E+03   0.271E+03 0.164E+03 -.325E+03   0.103E+00 -.117E+01 0.163E+01   -.239E-04 -.160E-03 0.112E-03
   -.233E+03 -.138E+03 0.170E+03   0.233E+03 0.138E+03 -.170E+03   0.297E+00 0.282E+00 0.455E+00   0.262E-04 -.133E-03 0.112E-03
   -.397E+03 -.112E+03 0.202E+03   0.400E+03 0.114E+03 -.207E+03   -.102E+01 -.401E+01 0.232E+01   0.334E-04 -.759E-04 -.110E-03
   -.296E+03 -.975E+02 -.638E+02   0.297E+03 0.101E+03 0.677E+02   -.741E+00 -.456E+01 0.341E+00   -.177E-05 0.482E-04 -.989E-05
   -.168E+03 0.473E+01 0.209E+03   0.169E+03 -.521E+01 -.209E+03   -.266E+00 -.614E+00 0.153E-01   0.453E-04 -.808E-04 0.130E-03
   -.153E+03 0.996E+02 0.740E+02   0.153E+03 -.101E+03 -.732E+02   0.613E+00 0.168E+01 -.187E+01   0.431E-04 -.942E-04 0.921E-04
   -.177E+03 0.133E+03 0.136E+03   0.177E+03 -.134E+03 -.136E+03   0.871E+00 0.164E+01 0.219E+01   0.480E-04 -.235E-04 0.680E-05
   -.176E+03 0.636E+01 0.346E+03   0.176E+03 -.608E+01 -.347E+03   -.256E+00 0.434E+00 0.192E+01   0.505E-04 0.175E-04 0.103E-03
   -.183E+03 -.165E+02 0.384E+03   0.183E+03 0.168E+02 -.387E+03   -.664E+00 -.140E+01 0.242E+01   0.958E-04 0.146E-03 0.104E-04
   -.209E+03 0.517E+02 0.320E+03   0.211E+03 -.509E+02 -.321E+03   0.307E+00 0.167E+01 0.183E+01   0.592E-04 0.997E-04 0.414E-05
   -.246E+03 0.868E+02 0.322E+03   0.248E+03 -.863E+02 -.329E+03   -.249E+01 0.347E+01 0.377E+01   0.551E-04 0.142E-03 -.311E-04
   -.221E+03 0.176E+03 0.323E+02   0.222E+03 -.182E+03 -.303E+02   -.204E+00 0.503E+01 0.241E+01   0.107E-03 0.864E-04 -.177E-03
   -.204E+03 0.161E+03 0.468E+02   0.207E+03 -.158E+03 -.432E+02   0.196E+00 -.547E+01 -.511E+01   0.436E-04 0.514E-04 -.100E-03
   -.133E+03 0.241E+03 -.185E+03   0.133E+03 -.243E+03 0.189E+03   0.718E+00 0.202E+01 -.255E+01   0.296E-04 0.109E-03 -.180E-03
   -.112E+03 0.182E+03 -.205E+03   0.113E+03 -.184E+03 0.210E+03   0.121E+01 0.908E+00 -.709E+01   0.495E-04 0.158E-03 -.134E-03
   -.213E+03 0.145E+03 0.182E+03   0.216E+03 -.144E+03 -.186E+03   -.116E+01 -.792E+00 0.402E+01   0.323E-04 -.404E-05 -.654E-04
   -.171E+03 0.102E+03 0.562E+01   0.171E+03 -.104E+03 -.511E+01   0.125E+01 0.228E+01 -.148E+01   0.151E-04 -.367E-04 0.178E-04
   -.127E+03 0.543E+02 -.166E+03   0.127E+03 -.542E+02 0.168E+03   0.279E+00 0.138E+01 -.283E+00   0.599E-04 0.797E-04 -.373E-04
   -.118E+03 -.265E+02 -.249E+03   0.118E+03 0.260E+02 0.248E+03   -.915E-02 -.164E+01 0.321E+00   0.122E-03 0.497E-04 -.593E-05
   -.568E+02 -.766E+02 -.335E+03   0.577E+02 0.789E+02 0.335E+03   -.128E+01 -.314E+01 0.837E+00   0.167E-03 0.928E-04 -.156E-03
   -.340E+02 -.149E+03 -.411E+03   0.337E+02 0.149E+03 0.414E+03   0.276E+00 -.702E+00 -.207E+01   0.218E-03 -.881E-04 -.228E-03
   -.198E+03 -.174E+03 -.242E+03   0.201E+03 0.175E+03 0.239E+03   -.155E+01 -.100E+01 0.558E+01   0.120E-03 -.820E-04 0.876E-04
   -.138E+03 -.315E+03 -.261E+03   0.138E+03 0.316E+03 0.261E+03   0.216E-02 -.118E+01 0.756E+00   0.182E-03 -.222E-03 -.421E-04
   -.700E+02 -.267E+03 -.351E+03   0.704E+02 0.268E+03 0.351E+03   -.249E+00 -.111E+01 -.513E+00   0.239E-03 -.262E-03 -.221E-03
   -.235E+02 0.154E+02 -.344E+03   0.270E+02 -.503E+01 0.342E+03   -.382E+01 -.850E+01 0.390E+01   0.812E-04 0.156E-03 -.163E-03
   -.197E+03 0.330E+02 0.510E+02   0.194E+03 -.431E+02 -.498E+02   0.301E+01 0.818E+01 -.299E+01   0.452E-04 -.666E-04 -.479E-04
   -.152E+03 -.353E+02 -.504E+02   0.152E+03 0.343E+02 0.518E+02   0.169E+00 -.191E+01 -.287E+01   -.663E-05 0.253E-04 0.450E-04
   -.107E+03 -.142E+03 0.103E+03   0.106E+03 0.143E+03 -.103E+03   -.151E+00 -.210E+01 -.239E+01   0.734E-05 -.442E-04 0.818E-04
   -.137E+03 -.154E+03 0.140E+03   0.136E+03 0.157E+03 -.140E+03   -.197E+00 -.199E+01 0.162E+01   0.125E-04 -.713E-04 0.138E-03
   -.285E+03 0.206E+01 -.151E+03   0.284E+03 -.365E+01 0.155E+03   0.856E+00 0.231E+01 -.280E+01   0.263E-05 0.682E-04 0.687E-04
   -.293E+03 -.734E+02 -.187E+03   0.293E+03 0.734E+02 0.187E+03   0.510E+00 -.103E+00 -.192E+01   0.284E-05 0.146E-04 0.126E-03
   -.216E+03 -.612E+02 -.365E+02   0.216E+03 0.620E+02 0.370E+02   0.268E+00 0.219E+00 -.291E+00   -.120E-04 -.554E-04 0.124E-03
   -.407E+02 -.284E+02 -.447E+02   0.382E+02 0.265E+02 0.520E+02   0.109E+01 -.337E+01 -.427E+01   -.284E-04 0.233E-04 -.144E-04
   -.903E+01 -.178E+03 0.146E+03   0.745E+01 0.185E+03 -.149E+03   0.153E+01 -.467E+01 -.227E+01   0.104E-04 -.760E-04 0.251E-04
   -.168E+03 0.663E+02 -.483E+02   0.167E+03 -.666E+02 0.490E+02   -.958E-01 -.682E+00 -.257E+00   -.860E-04 -.812E-04 0.876E-04
   -.636E+02 0.944E+02 0.154E+03   0.632E+02 -.968E+02 -.156E+03   -.177E+01 0.152E+01 0.218E+01   -.110E-03 -.118E-03 0.692E-04
   0.155E+02 0.771E+02 0.878E+02   -.179E+02 -.787E+02 -.885E+02   0.706E+00 0.322E+01 -.182E+01   -.203E-03 -.729E-04 0.149E-04
   -.196E+03 0.865E+02 -.246E+03   0.196E+03 -.869E+02 0.247E+03   0.402E+00 0.117E+01 -.143E+01   -.158E-03 -.142E-03 0.668E-04
   -.138E+03 0.425E+02 -.323E+03   0.137E+03 -.436E+02 0.326E+03   0.406E-01 -.841E-01 -.241E+01   -.242E-03 -.121E-03 -.269E-04
   -.321E+02 0.452E+02 -.188E+03   0.312E+02 -.447E+02 0.190E+03   -.132E+00 0.343E+01 -.119E+01   -.261E-03 -.160E-04 0.263E-04
   0.315E+02 0.955E+02 -.160E+03   -.344E+02 -.978E+02 0.167E+03   0.141E+01 0.458E+01 -.243E+01   -.185E-03 0.800E-04 -.231E-04
   0.882E+02 0.806E+02 0.177E+03   -.917E+02 -.839E+02 -.181E+03   0.337E+01 0.461E+01 0.261E+00   -.397E-04 0.125E-03 -.105E-03
   0.109E+03 0.103E+03 0.107E+03   -.110E+03 -.976E+02 -.109E+03   -.200E+01 -.667E+01 0.225E+01   -.101E-03 0.107E-03 -.102E-03
   0.373E+02 0.179E+03 0.301E+03   -.375E+02 -.181E+03 -.305E+03   -.116E+01 0.128E+01 0.349E+01   -.106E-03 0.639E-04 -.140E-03
   -.150E+02 0.200E+03 0.241E+03   0.164E+02 -.200E+03 -.245E+03   -.231E+01 -.136E+01 0.627E+01   -.764E-04 -.154E-04 -.148E-03
   0.131E+03 0.942E+02 -.818E+02   -.133E+03 -.948E+02 0.862E+02   0.704E+00 0.696E+00 -.375E+01   -.110E-03 0.605E-04 -.737E-04
   0.114E+03 0.731E+02 -.338E+02   -.115E+03 -.751E+02 0.315E+02   -.103E+01 0.226E+01 0.237E+01   -.118E-03 -.252E-04 -.748E-04
   0.543E+02 0.738E+02 0.109E+03   -.545E+02 -.727E+02 -.111E+03   -.135E+01 0.381E+00 0.498E+00   -.117E-03 -.443E-04 -.822E-04
   -.112E+03 -.542E+02 0.491E+02   0.111E+03 0.543E+02 -.474E+02   0.366E+00 -.108E+01 -.183E+01   -.517E-04 -.346E-04 -.975E-04
   -.342E+03 -.855E+02 0.121E+03   0.347E+03 0.894E+02 -.116E+03   -.102E+01 -.282E+01 -.295E+01   0.443E-04 -.544E-04 -.102E-03
   -.371E+03 -.129E+03 0.193E+03   0.373E+03 0.131E+03 -.196E+03   0.467E+00 -.142E+01 0.416E+01   0.517E-04 -.529E-04 -.945E-04
   -.109E+03 -.226E+03 -.112E+03   0.109E+03 0.227E+03 0.115E+03   0.650E+00 0.154E+01 -.611E+01   -.547E-04 -.519E-04 -.101E-03
   -.180E+03 -.202E+03 -.182E+03   0.179E+03 0.203E+03 0.185E+03   0.937E+00 -.106E+01 -.302E+01   -.330E-04 -.380E-04 -.103E-03
   -.285E+03 -.124E+03 0.110E+02   0.285E+03 0.118E+03 -.877E+01   0.105E+01 0.697E+01 -.273E+01   -.795E-05 -.417E-04 -.812E-04
   -.355E+03 0.700E+02 0.292E+03   0.358E+03 -.620E+02 -.286E+03   0.258E+01 -.785E+01 -.831E+01   0.211E-03 -.135E-03 -.273E-03
   0.543E+02 -.345E+02 -.190E+03   -.536E+02 0.256E+02 0.184E+03   -.241E+01 0.697E+01 0.713E+01   -.103E-03 -.786E-04 -.850E-04
   -.496E+03 -.500E+02 0.832E+02   0.498E+03 0.475E+02 -.851E+02   0.740E+00 -.374E+01 0.142E+01   -.206E-04 -.308E-03 -.399E-05
   -.492E+03 -.951E+02 -.989E+02   0.495E+03 0.944E+02 0.101E+03   -.184E+01 -.232E+01 0.630E+00   -.892E-04 -.219E-03 -.512E-04
   -.427E+03 -.120E+03 -.124E+03   0.429E+03 0.123E+03 0.126E+03   0.115E+00 -.134E+01 -.305E+01   -.103E-03 -.102E-03 -.314E-04
   -.435E+03 -.765E+02 0.190E+03   0.436E+03 0.774E+02 -.193E+03   -.783E+00 0.587E+00 0.207E+01   -.224E-04 -.292E-03 -.395E-04
   -.349E+03 -.143E+03 0.138E+03   0.349E+03 0.144E+03 -.138E+03   0.222E+00 -.137E+01 0.164E+01   -.115E-03 -.798E-04 0.329E-04
   -.344E+03 -.114E+03 0.233E+02   0.345E+03 0.115E+03 -.234E+02   0.250E+00 -.160E+00 0.333E+00   -.990E-04 0.535E-05 0.385E-04
   -.533E+03 -.707E+02 0.447E+02   0.537E+03 0.743E+02 -.471E+02   -.841E+00 -.420E+01 0.191E+01   -.590E-04 -.180E-03 -.128E-03
   -.492E+03 -.710E+02 -.135E+03   0.495E+03 0.747E+02 0.138E+03   -.747E+00 -.474E+01 0.955E+00   -.123E-03 -.157E-03 -.153E-03
   -.276E+03 0.275E+02 0.479E+02   0.277E+03 -.279E+02 -.481E+02   -.483E+00 -.776E+00 0.192E+00   -.918E-04 0.102E-03 0.698E-04
   -.307E+03 0.116E+03 -.437E+02   0.307E+03 -.118E+03 0.445E+02   0.627E+00 0.180E+01 -.212E+01   0.351E-06 0.121E-03 -.220E-04
   -.319E+03 0.129E+03 0.108E+02   0.319E+03 -.130E+03 -.985E+01   0.556E+00 0.181E+01 0.177E+01   0.700E-04 0.587E-04 0.336E-04
   -.230E+03 0.345E+02 0.141E+03   0.231E+03 -.342E+02 -.142E+03   -.378E+00 0.222E+00 0.194E+01   -.157E-03 0.477E-04 0.192E-03
   -.242E+03 -.877E+01 0.158E+03   0.243E+03 0.933E+01 -.162E+03   -.576E+00 -.155E+01 0.240E+01   -.967E-04 -.228E-04 0.221E-03
   -.311E+03 0.451E+02 0.135E+03   0.312E+03 -.445E+02 -.136E+03   0.973E-01 0.182E+01 0.210E+01   0.144E-04 -.822E-05 0.141E-03
   -.377E+03 0.543E+02 0.147E+03   0.380E+03 -.534E+02 -.154E+03   -.267E+01 0.363E+01 0.319E+01   0.712E-04 -.165E-04 0.169E-03
   -.358E+03 0.162E+03 0.113E+02   0.358E+03 -.168E+03 -.798E+01   -.315E+00 0.459E+01 0.179E+01   0.169E-03 0.710E-04 0.793E-04
   -.342E+03 0.149E+03 0.112E+03   0.343E+03 -.145E+03 -.108E+03   0.618E+00 -.510E+01 -.495E+01   0.189E-03 -.457E-04 0.671E-04
   -.208E+03 0.244E+03 0.675E+02   0.208E+03 -.246E+03 -.647E+02   0.474E+00 0.208E+01 -.295E+01   0.170E-03 -.647E-04 -.362E-05
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   0.249E+03 0.580E+03 0.965E+02   -.275E+03 -.610E+03 -.986E+02   0.263E+02 0.298E+02 -.162E+02   -.679E-04 -.351E-03 -.122E-03
   -.385E+03 -.538E+02 0.149E+03   0.405E+03 0.499E+02 -.183E+03   -.212E+02 0.702E+01 0.404E+02   0.497E-04 -.169E-03 -.412E-03
   -.449E+03 -.354E+03 0.150E+03   0.466E+03 0.376E+03 -.181E+03   -.163E+02 -.235E+02 0.343E+02   0.545E-03 0.199E-04 0.577E-04
   0.212E+03 -.646E+03 -.123E+03   -.231E+03 0.676E+03 0.127E+03   0.241E+02 -.252E+02 -.136E+02   -.728E-04 0.239E-03 -.337E-03
   -.504E+03 -.208E+03 0.108E+03   0.535E+03 0.191E+03 -.885E+02   -.327E+02 0.202E+02 -.231E+02   0.423E-03 0.116E-03 -.478E-03
   0.102E+04 0.430E+02 -.210E+03   -.105E+04 -.291E+02 0.197E+03   0.393E+02 -.158E+02 0.140E+02   0.131E-03 -.142E-03 0.331E-03
   0.597E+03 0.619E+03 0.849E+02   -.583E+03 -.642E+03 -.117E+03   -.233E+02 0.151E+02 0.334E+02   -.715E-04 -.418E-03 -.220E-04
   0.997E+03 0.251E+03 -.207E+03   -.100E+04 -.271E+03 0.234E+03   0.399E+01 0.243E+02 -.379E+02   -.296E-03 -.144E-03 0.200E-03
   0.583E+03 -.132E+03 -.505E+03   -.604E+03 0.143E+03 0.540E+03   0.193E+02 -.128E+02 -.384E+02   0.120E-03 0.443E-03 -.745E-04
   0.290E+03 -.256E+03 0.740E+02   -.267E+03 0.277E+03 -.881E+02   -.323E+02 -.236E+02 0.147E+02   0.159E-04 0.339E-03 -.425E-04
   0.375E+03 0.116E+03 0.526E+02   -.403E+03 -.119E+03 -.817E+02   0.311E+02 0.390E+01 0.320E+02   0.123E-03 0.241E-03 -.125E-03
   -.328E+03 -.773E+02 -.186E+03   0.357E+03 0.794E+02 0.212E+03   -.310E+02 -.303E+01 -.299E+02   0.782E-04 -.739E-04 0.258E-03
   0.329E+03 0.687E+02 -.107E+03   -.347E+03 -.871E+02 0.113E+03   0.293E+02 0.283E+02 -.101E+02   -.125E-03 -.122E-03 0.154E-03
   -.238E+03 -.393E+02 0.123E+02   0.254E+03 0.312E+02 -.405E+02   -.138E+02 0.164E+02 0.380E+02   -.270E-04 -.119E-03 -.883E-04
   -.373E+03 -.402E+03 0.332E+03   0.392E+03 0.429E+03 -.357E+03   -.167E+02 -.297E+02 0.281E+02   0.588E-04 0.274E-03 -.322E-04
   0.565E+02 -.537E+03 -.103E+03   -.745E+02 0.555E+03 0.118E+03   0.258E+02 -.157E+02 -.196E+02   -.153E-03 0.325E-03 -.914E-04
   -.375E+03 -.153E+03 0.310E+02   0.405E+03 0.136E+03 -.950E+01   -.327E+02 0.190E+02 -.234E+02   -.380E-04 0.273E-03 -.110E-03
   -.471E+02 -.530E+02 0.814E+03   0.268E+02 0.704E+02 -.844E+03   0.222E+02 -.199E+02 0.332E+02   -.246E-05 0.513E-04 -.594E-03
   -.194E+03 0.117E+03 0.685E+03   0.229E+03 -.132E+03 -.702E+03   -.371E+02 0.178E+02 0.149E+02   -.105E-03 0.185E-03 -.184E-03
   0.180E+03 0.337E+03 0.333E+03   -.207E+03 -.363E+03 -.314E+03   0.264E+02 0.282E+02 -.213E+02   0.416E-04 0.528E-04 -.130E-03
 -----------------------------------------------------------------------------------------------
   -.538E+02 -.184E+02 0.748E+00   -.117E-10 0.108E-11 0.546E-11   0.538E+02 0.184E+02 -.759E+00   -.135E-02 -.133E-02 -.617E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.57405      3.21971      1.38090         1.083032     -3.870943     -0.189313
     12.36182      3.64473      2.67537         0.955203     -1.593324      2.589525
     12.38019      5.00955      3.02019         1.980044      0.516668     -0.644675
     12.78433      4.09333      0.34982         0.459086      1.086700     -0.599289
     12.84608      5.46881      0.63897         0.015975     -0.794658      0.925237
     12.67296      5.94212      1.97097         0.320321      1.166000      0.432329
     12.52940      1.67348      1.30816         1.749629     -2.734467     -3.451600
     12.13395      2.40685      3.58888         0.432604     -1.054256      4.233808
     12.81690      7.47070      2.21311         0.004126     -1.086863     -0.560051
     12.65818      8.05820      3.50157         0.797487     -0.177839     -1.017958
     12.86561      9.43646      3.61245         0.705042      0.670652      2.637662
     13.14360      8.30581      1.08561        -0.228406      0.714351      1.266683
     13.32534      9.70564      1.25457         0.010345     -1.155302     -0.706990
     13.20340     10.22525      2.52864         1.431733      2.507702      0.554052
     13.40229     11.70034      2.99348         0.073125      4.028806     -3.636454
     12.78564     10.31326      4.88175         1.620750     -1.103669      4.413105
     13.25209     12.94583      5.38057         2.481749     -2.685888     -1.521371
     12.97409     12.81224      6.73128         1.325435     -0.161546      0.976688
     13.08791     13.90690      7.58190         2.424675     -1.050901     -2.352221
     13.63250     14.19784      4.85783         1.723811      0.432268      0.151414
     13.73424     15.31405      5.70898         1.363242      0.560642     -0.965439
     13.46276     15.16354      7.08101         0.731947      1.567719      1.636924
     13.59519     16.36026      8.05547         0.369955     -2.128322     -1.133005
     13.19097     16.21123      9.39231        -0.350532     -0.896770      0.488073
     13.34907     17.26081     10.29690        -0.029482      0.167877      0.325457
     14.11615     17.58820      7.61659         1.111337      0.214982      2.482875
     14.27943     18.64266      8.52607         0.248404     -0.428572      0.723506
     13.90742     18.47309      9.87287         0.161957     -0.094764     -0.504399
     12.56778     14.88858      9.86326        -0.360629      1.823247      1.880035
     14.14526     16.69552      5.13425         0.545460     -1.968610     -1.845831
      9.74678      3.86320      4.85452        -0.276486     -2.870795     -1.472308
     10.01858      4.78319      3.86996        -0.746451     -0.972147     -2.862610
     10.09912      6.12804      4.14276        -0.607238      0.935761      1.159707
      9.55088      4.20431      6.15901        -0.031958      0.720886      1.434287
      9.65822      5.55206      6.51292         0.346217     -0.133724     -1.075697
      9.96799      6.52838      5.50874        -0.120805      1.092799      0.215275
      9.70348      2.46916      4.26977        -1.422498     -5.292111      3.057626
     10.19430      4.04809      2.51119        -0.056339      2.092022     -5.026523
     10.13444      7.99601      5.90686        -0.498028     -0.985913      0.390159
     10.53207      8.94812      4.94029        -2.103270     -0.892394      0.002124
     10.65365     10.26049      5.33825        -1.665836      1.627953     -2.458538
      9.89833      8.40667      7.26837         0.489760      0.730291     -0.857413
     10.04393      9.77496      7.62570        -0.348462     -1.208119      0.020162
     10.39816     10.66689      6.62769        -0.997562      3.919842      1.279337
     10.57743     12.20095      6.72823        -1.525734      2.318723      3.894553
     11.05859     11.47722      4.47846        -0.166521      1.355989     -3.231547
     11.28207     14.11486      4.96875        -2.401237     -1.483377     -0.171433
     11.68352     14.42818      3.66290        -1.359425      0.207130     -0.508775
     11.93174     15.75583      3.30961        -0.892975     -1.199510      1.987705
     11.13282     15.11948      5.91343        -1.335590      0.104539      0.691212
     11.32222     16.45402      5.55529        -1.605034      0.278390      0.158717
     11.73584     16.77559      4.24390        -1.639714      1.433115     -1.555741
     11.97151     18.24688      3.84104        -0.394613     -1.039605     -0.094964
     12.30147     18.58651      2.50950         3.893685      1.123363      1.877526
     12.36456     19.93600      2.13629         1.807882      0.703141      0.263310
     11.81988     19.25692      4.79833         0.403258      2.101288     -2.719953
     11.92648     20.60229      4.43182         0.250091      0.155783      0.380156
     12.17811     20.94934      3.10463         1.360230      1.169502     -0.514450
     12.58191     17.48548      1.44795         5.091323      0.184456     -2.009098
     11.07608     17.56788      6.60451        -1.655934     -1.959975      1.058796
      9.71707      7.25835     14.53349         2.989237     -6.294060     -0.545000
      9.58946      7.69148     15.83509         0.971031     -2.981275      2.814785
      9.70521      9.03840     16.19183         2.450382      1.494584     -0.460740
      9.98184      8.12334     13.49190         1.013423      1.458533     -0.665681
     10.11119      9.51266     13.78975         0.550621     -0.783071      1.039869
      9.97866      9.97802     15.15498         0.741077      1.037582      0.179155
      9.52445      5.71886     14.47369         2.884226     -0.629919     -0.517099
      9.31312      6.47618     16.75737         2.033506     -1.073106      4.432449
     10.14236     11.49805     15.45943        -0.034947     -1.160159      0.002162
      9.99823     12.02549     16.79046         1.175796     -0.403068     -1.304808
     10.15018     13.40662     16.95703         0.962775      0.679232      2.736136
     10.44345     12.38836     14.37623        -0.196927      0.508344      1.159369
     10.59048     13.77107     14.61257         0.129607     -0.997206     -1.098031
     10.42183     14.23854     15.89500         1.057830      2.487545      0.830758
     10.50296     15.70343     16.37034        -0.170329      4.568450     -3.630632
     10.04510     14.25408     18.26694         0.388063     -1.489276      5.101870
     10.25366     16.96753     18.79064         1.432027     -2.057974     -0.666819
     10.06793     16.83462     20.17803         0.328254      0.239643     -0.189153
     10.03162     17.97693     20.99741        -0.222131     -0.667170     -3.435247
     10.42649     18.25649     18.23297         1.455117      0.205272      0.211174
     10.40959     19.40078     19.05994         1.077104      0.713410     -0.674188
     10.22216     19.25664     20.45024         0.100070      2.030870      1.499077
     10.22486     20.49007      0.13425         0.521344     -2.461512     -1.878576
      9.96763     20.31477      1.49861        -1.127677     -0.798332      0.279230
      9.93890      0.14231      2.34703        -1.773112     -0.717161      0.725526
     10.47337      0.51976     20.89616         2.580533     -0.379386      3.118651
     10.43446      1.61944      0.50580        -0.914372      0.635035      0.266668
     10.13292      1.42260      1.85485        -1.794444      2.337007      0.186475
      9.70587     18.91990      2.06707        -1.996298      3.418059      2.149751
     10.60108     20.79951     18.42411         1.878549     -2.149880     -0.630068
      7.25527      7.60404     17.58368        -1.157514     -2.079056     -1.355938
      7.54647      8.52161     16.60009        -2.488909      0.045718     -2.053363
      7.63530      9.89672     16.87203        -1.767188      0.530624      1.401885
      7.06413      7.96512     18.89758        -0.183151      1.503148      1.293858
      7.09565      9.34067     19.22806         0.325712     -0.759566     -1.174283
      7.38235     10.32301     18.22257        -0.134089      1.131024     -0.050168
      7.18383      6.18308     16.98064        -2.339075     -4.178615      2.059847
      7.71452      7.77831     15.23509        -0.775384      0.921004     -3.457779
      7.39067     11.83243     18.63614        -0.284213     -1.069010      0.202919
      7.75699     12.86349     17.71982        -1.750423     -0.460387      0.506487
      7.73552     14.18115     18.18743        -0.455000      1.854160     -2.669365
      7.01764     12.18911     19.98759         0.888595      0.466736     -1.477149
      7.00032     13.55003     20.38910        -0.014270     -1.366122      0.288192
      7.35247     14.49948     19.47143        -0.538568      3.510799      0.722457
      7.39487     16.03012     19.67691        -1.216490      2.673864      3.873379
      8.09496     15.47584     17.42361        -0.007980      1.043284     -2.968136
      8.07880     18.13422     18.07364        -2.206907     -1.497128      0.609604
      8.65569     18.50580     16.86054        -1.431633      0.164528     -0.856947
      8.85716     19.86190     16.55357        -1.881035     -2.637106      1.388571
      7.71109     19.12750     19.00466        -0.890675     -0.457573      0.123269
      7.91297     20.48925     18.69967        -2.187345     -1.010916     -0.583606
      8.46632     20.85947     17.45456        -3.763396      1.291909     -1.313469
      8.69251      1.10390     17.07485        -1.092185     -1.539805     -0.791771
      8.95236      1.44498     15.73697         0.559499     -0.789777     -0.035463
      9.15710      2.77969     15.37185         0.826152     -0.187672     -0.517189
      8.61259      2.11734     18.04544         1.348321      3.077393     -2.159622
      8.81589      3.46756     17.67343         0.229200     -0.574134      0.230932
      9.07933      3.79235     16.32516         1.265194      2.113515      0.090220
      9.01300      0.34709     14.66394         2.876707      2.225100     -0.048057
      7.51129      0.29720     19.71855        -3.042117     -1.698426      0.260453
      7.06421     10.88499      6.11554        -0.473179     -3.096701     -0.580675
      6.86326     11.34902      7.39450        -0.709704     -1.156203      2.465277
      6.96898     12.70273      7.71773         0.134466      0.228349     -0.655228
      7.39701     11.71757      5.07544         0.210270      1.096370     -0.512281
      7.53503     13.09855      5.34196        -0.427058     -0.558764      1.118628
      7.29839     13.60721      6.66349         0.225557      0.993030     -0.221674
      6.86724      9.35193      6.06963         0.454080     -3.398361     -3.600225
      6.51926     10.15990      8.32791        -0.799287     -0.644492      4.482118
      7.42080     15.13231      6.90049        -0.020462     -1.002862     -0.315809
      7.12001     15.72771      8.16442         0.153121     -0.093809     -0.779591
      7.24087     17.11602      8.27057        -0.739690      0.678303      2.714979
      7.83002     15.96094      5.80478        -0.421371      0.508435      1.169071
      7.93834     17.36033      5.97098        -0.473839     -1.035776     -0.695630
      7.66432     17.89364      7.21504        -0.006251      3.154602      0.494904
      7.76056     19.38014      7.65590         1.261271      4.283143     -2.548848
      6.96937     18.01979      9.50799        -0.490263     -0.827367      4.178357
      7.26081     20.69954     10.01309         1.083042     -1.733094     -1.199120
      6.75660     20.59452     11.31632         2.222423      1.133179      0.541513
      6.73291      0.46272     12.16595         1.126168     -0.107468     -4.653263
      7.70544      0.68789      9.54046         0.293769      0.081714      0.069995
      7.66234      1.82550     10.38412         0.834020      0.238236     -0.651303
      7.21958      1.70149     11.71999         0.381131      2.262383      1.165939
      7.25195      2.93923     12.70322         0.550286     -2.521755     -1.411792
      6.87837      2.78574     14.05925        -0.512851     -0.708771      0.240789
      6.95407      3.87212     14.94291        -0.761411      0.300570      0.078217
      7.67510      4.20612     12.24645         0.733015     -1.854261      2.225418
      7.73186      5.30767     13.14366         1.870042      0.739984      1.136057
      7.38094      5.13166     14.49559        -2.538025      1.864704      1.663784
      6.39440      1.42840     14.58523        -0.627184      3.593039      0.657975
      8.12009      3.18653      9.84356         1.718638     -2.959683     -1.212939
      4.04425     11.54507     10.79788        -0.184263     -2.834748     -0.266381
      3.75546     12.42028      9.77115        -0.731841     -0.450705     -2.590789
      3.81808     13.80731      9.94216         0.281666     -0.066648      0.687972
      4.37130     11.98201     12.07356         0.133984      0.909478      0.427503
      4.43114     13.38126     12.30819        -0.259391     -0.462271     -1.261425
      4.17801     14.30330     11.23566         0.008584      0.926387      0.423192
      3.92743     10.08246     10.29333         0.763566     -4.555054      2.212914
      3.38052     11.61056      8.48518        -1.543435      1.210999     -4.685190
      4.28515     15.82465     11.49842        -0.128322     -1.118663      0.342624
      4.19102     16.74918     10.42658        -0.669774     -0.888003      0.503375
      4.37175     18.09024     10.71365        -1.278077      1.968603     -2.385539
      4.52297     16.30799     12.83544         0.155601      0.410569     -1.140080
      4.66547     17.69746     13.06838         0.710286     -1.392554     -0.025187
      4.57900     18.54451     11.99252        -0.574565      3.563498      0.662845
      4.71168     20.07913     11.99055        -0.241129      1.135547      2.889492
      4.37948     19.28400      9.73119        -1.030528      0.475815     -5.064458
      4.78097      0.72333     10.06955        -0.998954     -1.805247      0.300321
      5.01165      0.99874      8.71363        -0.183819      0.292714      0.049991
      5.31792      2.31402      8.30465        -0.860078     -1.262386      2.600604
      4.77341      1.76979     11.00306        -0.739252      0.058190      0.132631
      5.01709      3.09152     10.59632        -1.208970      0.558984      0.565475
      5.33760      3.36530      9.24414        -1.584669     -0.014883     -1.216107
      5.68638      4.82260      8.78327         3.277074     -1.383002     -2.442799
      6.05067      5.07904      7.44291         2.301881      0.095582      0.665779
      6.34037      6.39713      7.02982         1.271326      0.963991      0.595574
      5.63278      5.88461      9.69948         4.566839      4.163605     -1.858228
      5.89053      7.20258      9.27596         0.903577     -0.597918      0.656217
      6.23990      7.46106      7.93966         0.909870      1.287345     -1.145561
      6.14249      3.91954      6.42626         2.375777      1.343080     -1.730900
      4.94110      4.23088     11.64432        -3.202869     -2.952557      0.906956
      1.51440     14.41757      0.53665        -0.581896     -4.153432      0.399243
      1.94124     14.80022      1.78677         0.425769     -1.098829      3.608181
      1.82119     16.17053      2.21974        -0.998411     -0.316580     -1.245829
      0.99076     15.29013     20.88597        -3.453552      2.848903      0.265416
      0.90195     16.64823     21.21004        -0.060743     -0.594302      0.799371
      1.28375     17.12152      1.23820        -0.134404      0.857710      1.343686
      1.70853     12.90941      0.32337        -1.682591     -1.453616      0.160881
      2.50649     13.50892      2.53997         1.714487      0.119962      4.916171
      1.09968     18.66284      1.49662        -0.176890     -1.363609     -0.552839
      1.46138     19.30111      2.72212        -0.587583     -0.330582     -0.798574
      1.33672     20.68873      2.77228         0.376987      0.866655      2.469794
      0.56009     19.46865      0.41193         0.417417      0.009171      1.386610
      0.44044     20.86164      0.54667        -0.883598     -1.433485     -1.434160
      0.85259      0.16993      1.70680        -0.644249      3.024238      1.708013
      0.86411      1.66092      2.05170        -1.793381      4.129711     -2.602123
      1.68984      0.38291      3.92720         1.872382     -0.878432      4.846206
      1.59611      3.04046      4.20251        -0.619631     -1.221076     -1.461981
      2.13863      2.96647      5.46562         0.160691     -0.560940      0.585573
      2.40059      4.11926      6.17970        -2.371553      0.168473     -2.297831
      1.26376      4.28230      3.63502        -0.852027      0.114933     -0.167060
      1.51645      5.46156      4.34714        -0.523030      0.438571     -0.285177
      2.13291      5.38099      5.61902         0.249123      1.807566      1.321135
      2.51056      6.65315      6.42084        -2.210471     -2.865358      0.862509
      3.06850      6.51691      7.69620        -0.159194     -0.898849      0.086996
      3.38259      7.64031      8.45348        -0.153313      0.397179      0.883674
      2.29435      7.93750      5.89245        -1.595484      2.369316      4.731716
      2.63872      9.07901      6.65414        -0.359309     -0.153936      0.074791
      3.15338      8.92048      7.95606         0.398146      1.819118      0.997060
      3.33575      5.12709      8.28511        -0.641773      2.958889      0.649808
      1.12525      6.82766      3.73078        -3.701682     -3.142117      0.293219
      4.62204     14.08253      0.78526        -0.348323     -2.908169     -0.867124
      3.81206     14.97533      0.10328        -0.504497      0.539415     -2.752956
      3.80088     16.37833      0.41724         2.022256     -0.478314      0.405067
      5.45331     14.48097      1.82553         0.106701      1.572697      0.946506
      5.47122     15.86209      2.20381        -1.009571     -0.675339     -1.293040
      4.66470     16.83498      1.49456         0.034414      0.717548      0.052926
      4.43849     12.63176      0.21013         2.434339     -3.891910      1.078385
      2.98511     14.18412     20.27093        -0.755463      1.480265     -3.373758
      4.76116     18.37088      1.94243        -0.050404     -0.961705     -0.383560
      4.01215     19.43195      1.29264         1.341702     -0.143566      0.943235
      4.17430     20.75313      1.79203        -1.512851      1.031480     -1.935584
      5.63723     18.71246      3.04229        -0.987238      0.956206     -0.862130
      5.75989     20.06325      3.47784         0.318859     -1.443619      0.069514
      5.02403     21.03640      2.83766         0.208682      2.904908      0.845045
      5.01263      1.30207      3.14712         2.594249      2.940562      3.478827
      3.48749      0.82530      1.31069        -2.332976      1.168860     -3.903037
      3.66642      3.48960      2.15912         1.028775     -1.087525     -0.083701
      2.84556      4.01420      1.13968         0.454567      0.749971     -0.039247
      2.62249      5.43264      1.05064         1.281559     -2.174681      2.602465
      4.20425      4.36810      3.13717         0.115383      0.027195     -0.354535
      3.96013      5.77275      3.07073         0.941347     -0.782202      0.141557
      3.22134      6.32403      2.00697         0.902022      0.240819     -2.871697
      3.03403      7.93349      1.89189         3.168165     -1.021656     -4.266543
      2.35864      8.47953      0.79597        -0.219585      0.088578     -0.708879
      2.16709      9.88731      0.68628        -0.286892      0.515783      0.945438
      3.55370      8.81785      2.89663         2.276568      6.057755     -3.433068
      3.34001     10.24127      2.80206         0.250580     -1.527776     -0.100583
      2.62958     10.77317      1.70486        -1.145151      1.123174     -0.958180
      1.82824      7.53742     20.97058        -0.743336      1.184938      3.304220
      4.52528      6.69673      4.15596         2.522741     -2.611761     -0.788249
     18.37034     17.37207     13.24105        -0.710888     -3.147848      0.053518
     19.46771     17.86351     13.91505         1.156869     -2.233487      2.643677
     19.67156     19.22392     14.11079        -1.316238      0.576505      0.796679
     17.42840     18.20802     12.66450        -0.171093      1.239776     -0.031681
     17.59308     19.60936     12.83029         0.829433     -0.935660      0.567484
     18.69786     20.11593     13.59813        -0.696650      1.133912      0.118422
     18.41012     15.81371     13.24938        -3.483596     -3.278483     -2.239798
     20.35042     16.68753     14.39361         1.323966     -0.485831      2.045564
     18.80169      0.36118     13.85991        -0.198360     -1.114109     -0.334216
     19.89762      0.90655     14.59318        -0.820064     -0.541706     -0.411664
     19.88213      2.26137     14.84647         2.798718      1.126351      2.036543
     17.76100      1.21951     13.38721         0.830101      0.046366      0.490682
     17.78756      2.58379     13.69729        -0.704690     -0.547364     -0.523402
     18.84719      3.06213     14.42918         0.016267      3.485641      0.876087
     19.07550      4.50195     14.89124        -3.246197      4.360465     -0.901730
     20.92884      3.11862     15.61349        -0.063419     -0.478281      3.386631
     21.05135      5.75833     16.30788        -4.634964     -2.067092      1.424024
      1.07894      5.64119     16.84392        -0.708192      0.172238      3.190534
      1.72022      6.76329     17.41268        -3.526519      0.103921     -0.037144
     20.38082      6.99622     16.36085        -0.351708     -0.946027      0.649052
     20.97951      8.10230     16.99843        -1.406055      1.104017      1.988209
      1.02278      7.98977     17.54765        -0.488997      1.736814      1.296634
      1.69647      9.22846     18.27014        -2.478479      0.435834     -3.564864
      2.91565      9.09137     18.94739         3.875012      0.963660      0.519966
      3.46209     10.20064     19.65679         0.444542     -0.897432     -0.469172
      1.06626     10.48048     18.25318        -0.601018     -6.179248      6.770059
      1.67817     11.60845     18.83345         0.279175      2.809353      3.283749
      2.82032     11.46669     19.60320         5.597851      1.131487      0.190287
      3.65293      7.74437     18.94681         2.935637      3.454397     -0.355443
     20.19748      9.42366     17.08956        -2.516207     -3.723012      0.679457
      2.08884     18.16462     14.11873        -0.030746     -2.687397     -0.915135
      1.25531     19.11429     13.57762        -2.041112     -0.993849     -2.194145
      1.39651     20.45978     13.84471         0.767129      0.605329      0.378256
      3.17611     18.49815     14.90765        -0.216368      1.439921      1.288358
      3.41855     19.88331     15.15622        -1.372739     -0.450223     -0.562540
      2.49698     20.87308     14.63893         0.386206      1.233627      0.608057
      1.61550     16.75808     13.69421         1.253567     -4.685631      3.778187
      0.18559     18.42816     12.69204        -2.072355      1.609831     -4.177078
      2.69931      1.11716     14.94578        -0.249893     -1.007616     -0.468889
      1.74713      2.07769     14.47509         2.090516     -2.539355     -1.120469
      1.93740      3.40425     14.82991        -0.405140      3.772416     -2.125809
      3.82952      1.55595     15.72938        -2.303177      0.945303      0.854707
      3.96911      2.92656     16.05447         0.302047     -1.468613      0.355710
      3.01347      3.80915     15.58844         1.176692      4.125217     -0.085621
      2.95864      5.33533     15.80498         5.473460      0.751710      0.648771
      1.05368      4.63802     14.48006        -1.159112      0.698880     -4.788822
      1.21320      7.28866     15.05242         2.243983     -1.107617     -3.729146
      0.03531      7.57986     14.36318         0.946900     -0.327968     -0.760384
     20.82212      8.88977     14.29103         2.219429     -0.512334      0.312989
      1.92820      8.31860     15.67592         1.301299      0.071038     -1.228988
      1.47892      9.64486     15.57354         2.308200      0.972812     -1.589772
      0.28454      9.93183     14.86334         0.928604      1.080446     -3.533454
     21.02340     11.38912     14.69475         0.240378     -0.969439     -0.690445
     19.77715     11.62708     14.06009        -0.733035     -0.071663      2.901431
     19.34469     12.93267     13.85013        -1.167751      0.257082      0.707729
      0.52448     12.47639     15.15467        -2.072209      1.337118     -0.533924
      0.06891     13.78562     14.94535        -0.138254     -0.084343      0.954273
     20.12307     14.00701     14.26786        -0.783997      1.522850      0.805330
     18.88685     10.45034     13.58434        -3.884706      0.512320      0.864734
      2.29501     10.76040     16.23674         2.815900     -3.965846     -3.512860
     16.21931      0.48718      5.09052        -0.111207     -3.359740     -0.475266
     17.12035      0.98013      6.00604         1.167642     -1.681718      2.216958
     17.17961      2.32503      6.32990        -1.130321      0.555404      0.341037
     15.27916      1.27736      4.48528        -0.591516      1.118464     -0.373902
     15.29802      2.66093      4.75796         1.094849     -0.368010      0.831400
     16.26105      3.20030      5.67900        -0.520422      1.080984     -0.219121
     16.44136     20.23708      4.89407        -2.460851     -3.508548     -2.516214
     17.99831     21.08558      6.53864         1.415715     -0.878390      3.031075
     16.27913      4.72250      5.94427        -0.405897     -0.997750     -0.456013
     17.19709      5.29597      6.86754        -0.560094     -0.208245     -0.301311
     17.13621      6.67173      7.07319         2.074173      0.765778      1.926835
     15.34801      5.57041      5.24716         0.879964      0.588924      0.896511
     15.34042      6.97262      5.49191        -0.358238     -1.246786     -0.530822
     16.24057      7.47707      6.40728        -0.045386      3.230041      0.558693
     16.42821      8.95567      6.85485        -2.408995      4.402949     -1.525210
     18.00036      7.53303      8.02269         2.598572     -1.053265      3.848766
     18.11235     10.19086      8.60309        -1.475192     -1.585098     -0.394527
     19.15640     10.02647      9.51273        -1.575914      0.406646      0.639563
     19.66698     11.12580     10.21006        -2.512276      0.028937     -1.865232
     17.58680     11.46859      8.36726        -0.397453      0.554549      0.053418
     18.10447     12.58596      9.05918        -1.010220      0.252913     -0.290695
     19.15132     12.41052      9.98962         0.397675      1.905322      1.751510
     19.75128     13.62553     10.76917        -1.355362     -2.162829     -0.865686
     20.84593     13.42788     11.63596         0.532898     -0.520556     -0.436067
      0.19297     14.50939     12.25730         1.470850     -0.302240     -0.547332
     19.23435     14.92604     10.59032         0.032494     -1.456810      4.034583
     19.83909     16.02198     11.25357         0.010675      0.744643      3.263896
     20.96773     15.80081     12.07337         1.367077      1.794557     -1.281971
      0.14231     12.01842     11.88738         2.562709      3.946372      1.159696
     17.52883     13.98889      8.78017        -1.676498     -1.818918     -1.221280
     20.08743      1.26733      6.29996         0.971351     -1.709559     -1.959237
     19.58324      2.30312      5.55229        -0.685411     -1.067829     -3.035710
     19.74563      3.61277      5.91516         1.005783      1.340795      0.941818
     20.77455      1.47404      7.48439         1.377640      1.752001      0.839800
     20.96074      2.81047      7.91802        -0.707827     -0.746313     -1.097198
     20.44882      3.89116      7.12091         0.039016      1.067569      0.241189
     19.76009     21.18599      5.61199         1.946742     -4.541016      0.134755
     18.85776      1.74781      4.30630        -2.153165      2.179532     -4.679348
     20.64891      5.34633      7.56074         0.438569     -1.328001      0.254057
     20.19673      6.38559      6.72201         0.578730     -0.656371     -0.285111
     20.39915      7.68418      7.12841         0.071126      2.308872     -2.612587
      0.04399      5.65913      8.80816        -0.992698      1.150928     -0.758510
      0.23642      7.01966      9.17806         0.464047     -1.202070     -0.163036
     21.01665      7.99777      8.31746         1.425197      3.036708      0.295275
     21.06529      9.54226      8.48601         2.031285      1.135028      1.471955
     19.99459      8.97562      6.38802        -2.159360      1.080785     -4.408812
     20.17676     11.62300      6.95739         0.569537     -1.852920      0.290672
     19.39369     11.97969      5.85715         0.026017     -0.101321     -0.181275
     19.06698     13.32289      5.62744         1.238421     -1.092767      1.953574
     20.70783     12.62331      7.79744         0.599856      0.389159     -0.221478
     20.42431     13.98491      7.54107         1.808332     -0.439085     -0.212656
     19.54396     14.32803      6.48516         0.525717      1.545329     -1.802354
     19.10091     15.80778      6.25682         0.937141     -1.615279     -0.526471
     18.23113     16.13094      5.18756         0.064994     -0.697861     -0.424361
     17.73424     17.42901      5.06229         0.139675      0.367207     -0.714482
     19.53398     16.82786      7.12749        -2.026691      1.486862     -1.310688
     19.05165     18.13920      6.96926        -0.256468     -0.846118      0.914140
     18.12832     18.42745      5.95905        -1.036589      1.632431     -0.343038
     17.81044     15.05900      4.15556        -0.888145      2.069248     -0.942746
     21.06581     15.08861      8.42801         2.616491     -2.455543     -1.526281
     12.17504      5.34302      4.03822         0.613615     -0.224946     -0.194096
     12.89919      3.73702     20.58970         0.077020     -0.110944     -0.156788
     13.02662      6.17821     21.10006        -0.017297     -0.144032     -0.192924
     12.38485      7.45739      4.36854         0.228386      0.046135     -0.033521
     13.25707      7.85606      0.09653         0.017071      0.348750      0.156748
     13.55110     10.34839      0.40089         0.059944     -0.009383      0.097980
     12.89108     13.78369      8.63739         2.176419     -2.020647     -3.256946
     12.66824     11.84596      7.12886         0.525731     -0.119887      0.040076
     13.85338     14.29911      3.79728         0.439672     -0.304591      0.126054
     13.03344     17.13648     11.33552         0.033305      0.006160     -0.102134
     14.38839     17.72474      6.57459        -0.083961      0.972028      3.058965
     14.69872     19.59447      8.18863        -0.035840     -0.039592     -0.002472
     10.24449      6.85977      3.34761        -0.018166     -0.124378      0.024982
      9.31832      3.44567      6.90396         0.364048      0.236688     -0.562202
      9.50816      5.85538      7.54706         0.052120     -0.070326     -0.024951
     10.74009      8.65041      3.91203        -0.630558      0.301925      0.314022
      9.60782      7.66903      8.02184         0.029978      0.269284     -0.087403
      9.88642     10.10899      8.65298        -0.043979      0.047288     -0.075614
     12.28345     15.99280      2.31369         0.038882     -2.427141      2.740796
     11.79779     13.63864      2.92166         0.024634      0.034333     -0.050365
     10.87365     14.86155      6.93785        -0.372135      0.011458     -0.282362
     12.55489     20.20264      1.09342         0.177133      0.069157      0.291179
     11.62690     18.99617      5.83110         0.959940      2.635927     -2.686599
     11.81429      0.11959      5.18449        -0.066253      0.099841      0.028546
      9.58986      9.35977     17.23039         0.921245     -0.324322     -0.259935
     10.09353      7.75327     12.46972        -0.037503      0.033965      0.087593
     10.30968     10.22758     12.98657        -0.082510     -0.287799      0.069825
      9.77967     11.37507     17.63657         0.176240      0.101466     -0.000872
     10.55956     11.99615     13.36806         0.055662      0.177522      0.002413
     10.83681     14.45206     13.79867        -0.021545      0.054481     -0.017681
      9.84778     17.86845      0.79808        -0.157122     -1.535572     -4.331249
      9.96150     15.84451     20.62465         0.004648     -0.022201     -0.148270
     10.57409     18.36918     17.15935         0.888701     -0.368404      0.357404
      9.76715     21.25008      3.41238        -0.297385      0.237830     -0.082951
     10.69516      0.66639     19.84834         1.369575      0.924250      3.067005
     10.64653      2.62068      0.13146        -0.461288     -0.038291     -0.073023
      7.88484     10.61259     16.08917        -0.401343     -0.072970      0.077349
      6.89855      7.20988     19.66707         0.019424      0.040608     -0.154095
      6.89413      9.65606     20.24784         0.101471     -0.155312      0.073224
      8.04111     12.63316     16.69233        -0.736197      0.217170      0.229193
      6.74697     11.41124     20.70055         0.033802      0.299604     -0.022569
      6.71394     13.83419      0.14299         0.392848     -0.100650     -0.334011
      9.32855     20.13911     15.61368         1.071958     -2.586136      2.703745
      8.95573     17.73740     16.14989        -0.024855      0.075856     -0.168450
      7.26464     18.84644     19.95906         0.039699     -0.092279     -0.095120
      9.38426      3.02875     14.33714         0.174839      0.003645      0.086576
      8.39984      1.86432     19.08006         1.693270      2.257692     -1.398043
      8.77489      4.25416     18.42919         0.217783     -0.180174     -0.092892
      6.81024     13.05488      8.73839         0.008207     -0.141913     -0.057340
      7.54540     11.32485      4.07204         0.042648     -0.073056     -0.091485
      7.82714     13.77979      4.54278        -0.088765     -0.239372     -0.012700
      6.80938     15.12162      9.01490        -0.014300      0.088843      0.022564
      8.06301     15.50836      4.84125         0.013619      0.227732      0.070435
      8.22091     17.99888      5.13641        -0.101477     -0.071645      0.065575
      6.33084      0.37248     13.16357        -0.616151     -0.743937     -3.489661
      6.37970     19.63721     11.67442         1.030332     -0.363228      0.143142
      8.09189      0.77918      8.52355        -0.089088     -0.130912      0.000800
      6.67584      3.73561     15.99143        -0.005267      0.275039     -0.226125
      7.95688      4.34012     11.20577         0.262108      1.014861      2.982898
      8.04826      6.28731     12.78532        -0.898184      0.086797     -0.255981
      3.59985     14.49131      9.11780        -0.033973     -0.240749      0.036243
      4.57432     11.27147     12.87774        -0.007296     -0.005260     -0.097994
      4.67060     13.75747     13.30326         0.001423     -0.141157     -0.087492
      3.98299     16.41347      9.41152         0.103363      0.146969     -0.056526
      4.59532     15.60666     13.66577         0.010675      0.196252     -0.082984
      4.84296     18.08335     14.07017         0.752424     -0.190279     -0.754541
      5.54431      2.51466      7.26544        -0.967597     -2.359641      2.587088
      4.95013      0.19867      7.97493         0.040585     -0.072353      0.012927
      4.57463      1.55473     12.05142        -0.230571      0.095258     -0.306216
      6.64975      6.59022      6.00279         0.477694      0.214434      0.747642
      5.39659      5.69031     10.73977         0.748768      2.360556     -2.359494
      5.81041      8.02397      9.98596         0.014057     -0.035365      0.077132
      2.10769     16.48565      3.22642        -0.005145     -0.170774     -0.139571
      0.63655     14.93087     19.92527        -1.933104      0.004298      0.999201
      0.54689     17.35548     20.46236        -0.099238     -0.345057     -0.021772
      1.81381     18.73347      3.58047         0.080616      0.039226      0.073563
      0.24615     18.99306     20.74499        -0.037146      0.200055      0.044867
      0.02523      0.21220     20.99995         0.085600     -0.015243      0.052451
      2.80681      4.04460      7.17577        -2.725269     -1.735135     -3.324135
      2.35902      1.98905      5.90422        -0.054752      0.024209     -0.116111
      0.80655      4.32790      2.64146        -0.024641     -0.170136      0.311948
      3.80968      7.51580      9.44446        -0.462195      0.326930      0.015194
      1.86384      8.05321      4.90150         0.081074      1.589524      2.736627
      2.50739     10.07483      6.23397        -0.037795      0.122944      0.049050
      3.17101     17.07819     21.12457         0.466973     -0.231277     -0.095562
      6.08023     13.75354      2.34908        -0.149270      0.049142     -0.011184
      6.09988     16.18492      3.03582        -0.028950     -0.209327     -0.171956
      3.35662     19.22703      0.45107         0.065095      0.088723     -0.050496
      6.21067     17.93008      3.54236        -0.063097      0.245343     -0.002435
      6.42023     20.32339      4.30320         0.087781      0.048287      0.093339
      1.99340      5.82784      0.25648         0.485894     -3.035298      2.315056
      2.37529      3.33741      0.41672         0.172111      0.235031      0.081470
      4.81014      3.96479      3.94939        -0.086308     -0.007797     -0.264612
      1.66237     10.29549     21.06645        -0.279950     -0.343619      0.812970
      4.11276      8.41455      3.73459        -0.493684      2.853301     -1.988879
      3.73413     10.90460      3.57323        -0.092394     -0.018291      0.064288
     20.55245     19.59522     14.64203        -0.489594     -0.182617      0.142881
     16.58978     17.80765     12.10118        -0.107316     -0.098454     -0.047909
     16.88441     20.30421     12.36898         0.070792     -0.318855      0.105919
     20.71297      0.27763     14.94134        -0.124572      0.045814      0.199773
     16.94891      0.81330     12.78607        -0.008701      0.143013      0.121926
     16.98758      3.24633     13.36972         0.012086      0.104789      0.008406
      2.75911      6.68719     17.72152        -1.244605     -0.532960     -3.528356
      1.58437      4.67479     16.82765        -0.571315     -0.244740      1.322774
     19.39363      7.10453     15.90486        -0.001260     -0.287525      0.149826
      4.37351     10.07347     20.24580        -0.281615      0.106947      0.052848
      0.09772     10.57911     17.81977         0.936130      0.329275      3.551904
      1.26220     12.59831     18.66161         0.354707      0.055870     -0.850323
      0.67590     21.18488     13.46440         0.208821     -0.198708     -0.239939
      3.82493     17.72454     15.32885        -0.538477      0.146996      0.360476
      4.29953     20.19462     15.72459        -0.253296     -0.156745     -0.006367
      0.90052      1.77409     13.85309         0.225489      0.211073      0.108579
      4.57803      0.83760     16.06842        -1.004362      0.259869      0.356532
      4.80597      3.27560     16.66003        -0.167107      0.043195      0.047763
     19.88589      9.09473     13.79278         2.742589     -2.341146      1.018272
     20.74483      6.78229     13.87325         0.001457     -0.172950     -0.242091
      2.83319      8.09259     16.24575         0.176081      0.266135     -1.102069
     18.39095     13.11461     13.35756        -0.003435      0.109095     -0.032938
      1.46373     12.30612     15.66867        -1.773734      1.919375     -1.575039
      0.65289     14.63296     15.31076        -0.058947     -0.172031     -0.107605
     17.90409      2.70048      7.05622        -0.499809     -0.213016      0.086489
     14.53326      0.84790      3.81918         0.106245     -0.038821     -0.081936
     14.58505      3.32046      4.26729         0.028714     -0.175873      0.043274
     17.92785      4.67765      7.39419        -0.189287      0.200125      0.046047
     14.64843      5.13625      4.52790         0.124192      0.230291      0.120810
     14.64569      7.62802      4.97119         0.023011      0.050058      0.013414
     20.46487     10.98035     10.92280        -2.296175     -1.111940     -2.837576
     19.58069      9.03958      9.67675        -0.577817     -0.184760      0.420572
     16.78066     11.59885      7.64705        -0.006766     -0.079572     -0.020378
      1.06697     14.34708     12.89374        -0.124987      0.204459     -0.245038
     18.37741     15.08810      9.94218         1.233098      0.762601      2.680205
     19.43070     17.02801     11.13317         0.310485     -0.120784     -0.245570
     19.35036      4.41793      5.29434         0.003096     -0.211102     -0.043533
     21.15889      0.63643      8.06612         0.055433      0.052190     -0.090694
      0.23265      3.01706      8.84978        -0.155869     -0.192892     -0.133780
     19.70051      6.16319      5.77668         0.134391      0.237982      0.055114
      0.38617      4.85918      9.46580        -0.472318      0.414341      0.084644
      0.74792      7.28247     10.10504        -0.071663      0.024722      0.034779
     18.44154     13.58557      4.78289         1.483417     -2.544258      2.341031
     19.03542     11.20661      5.17153         0.004094     -0.018955      0.138153
      0.07756     12.34775      8.64343         0.060916      0.066643     -0.363409
     17.03589     17.66650      4.25891         0.245191      0.096993      0.046745
     20.23961     16.60495      7.92212        -2.449340      2.088328     -1.290432
     19.39434     18.93048      7.63521        -0.321020     -0.367795      0.264969
     14.05620     19.28288     10.58843        -0.081795      0.019320      0.038877
     18.62471     20.81772      3.62603         0.661991      1.251618      1.247689
     12.27043      1.16643      2.69438         2.030600      1.489698      0.533575
     13.15052     11.73127      4.47173         3.017077     -0.582950      1.904269
     10.02379      2.57964      2.80781        -1.215537      0.667608      0.387782
     10.99435     12.68468      5.36352        -2.302960     -1.376314     -0.091133
      9.29510      5.24451     15.88504         3.728005     -0.327953     -0.050937
     10.26506     15.71411     17.86775         1.448793     -0.873585      0.745445
      7.42514      6.30221     15.50175        -4.274944      2.039905      0.077808
      7.86092     16.64029     18.37740        -1.231695     -1.124771     -0.025910
      6.52620      8.90371      7.47442         0.086626      1.236364     -0.207254
      7.32955     19.44398      9.11118         0.084168     -1.031803     -0.551717
      3.47798     10.13623      8.84647         0.039076      1.113561      0.704527
      4.60850     20.53792     10.56103        -1.904192     -0.987750     -0.246345
      2.30358     12.31507      1.55466        -0.460314      0.854383     -0.264306
      1.38904      1.78162      3.44107        -0.525268     -1.248815     -0.748553
      3.39817     12.69387     20.38289         4.241528      1.108389     -0.428614
      4.02224      1.95747      2.20638         0.500333     -1.269782     -0.090413
     19.65439     15.41523     13.99381        -0.649908      1.715529      1.643537
     20.38698      4.53415     15.65142        -1.223755     -1.583409      3.446300
      0.44553     16.93793     12.77061        -0.272192      1.462994     -2.171641
      1.71278      5.84378     15.11227         1.168565     -0.768618     -3.549221
     17.56812     19.83186      5.80293        -1.835504      0.561060      0.280581
     17.54566      8.96982      7.86898        -0.473875     -1.071237     -0.461224
     18.99127      0.25296      4.35112         2.428564      2.495132      0.603505
     20.41167     10.14019      7.25748         0.964774     -1.376493     -0.503870
     11.85547      2.42936      5.06462         2.313810     -0.205414     -7.831487
     12.72447      0.83082      0.07744         0.605274      4.566964      6.857884
     12.43312      9.84352      6.26245         5.365029      2.255838     -6.447925
     13.78619     12.87579      2.13648        -1.700561     -6.452609      4.866979
     10.48606      4.66914      1.16990        -4.069280     -3.365956      6.880969
      9.40353      1.21385      5.02590         1.289936      7.203009     -4.629793
     11.43125     11.46041      3.03063        -4.680424      0.836484      4.390816
     10.37050     13.05204      7.94648        -0.177457     -5.727329     -7.719963
      9.11159      6.51442     18.23170         2.780711     -0.653864     -7.324751
      9.56244      4.85652     13.24532         1.658923      3.359641      4.886152
      9.77036     13.73260     19.64996         2.850045      3.071247     -7.414376
     10.76743     16.89301     15.49877        -0.456296     -6.289906      4.949932
      8.05765      8.40089     13.91691        -6.322108     -1.715006      4.904516
      6.90073      4.91498     17.72707         0.489873      7.158688     -4.419477
      8.57427     15.56465     16.00666        -3.742203     -0.028845      6.095709
      7.04343     16.76220     20.93719         1.987997     -4.002327     -7.428873
      6.23916     10.23683      9.79413         2.119555     -0.507538     -8.329444
      6.99568      8.47736      4.85684         0.071196      5.481778      7.969060
      6.46214     17.56927     10.84790         4.931683      2.680529     -8.128039
      8.19987     20.53365      6.79896        -2.724529     -6.622613      5.273507
      2.98694     12.17954      7.15406         2.309961     -3.514700      7.715417
      4.18396      8.83874     11.09901        -2.016291      7.011731     -4.401010
      4.21230     19.20580      8.24640         1.051117      0.636050      8.492376
      4.94753     20.94733     13.18510        -4.605655    -11.478385     -9.692440
      3.09581     13.45470      3.92178        -3.465507     -0.095709     -8.180119
      1.35673     12.16199     20.34516        -6.034354      2.127177      9.993110
      2.24406      0.00144      5.27421        -3.154326      2.287920     -7.797060
      0.43920      2.78848      1.15461         1.963865     -6.349290      5.406422
      1.98194     14.76694     19.31133         8.684319     -3.996946      1.559237
      5.13967     11.38839      0.68191        -3.988394      6.773950     -2.536084
      2.49887      0.96118      0.18995         6.934672     -0.188826      6.024535
      5.84132      1.99615      4.18867        -4.956183     -4.184426     -6.475693
      0.39254     16.79036     15.12288        -6.053475     -0.652666     -1.421652
     17.40803     14.87403     12.62880         5.234515      5.345308      4.204642
      0.96592      2.63720     16.21251        -9.110651      2.059917     -0.325709
     18.16533      5.65322     14.62401         5.391768     -6.350736      1.810184
     20.37601     19.11592     11.90295         6.870654     -3.865098      2.949242
      2.21544     15.44568     14.10614        -1.995182      6.718463     -3.002826
     21.04540      4.63913     13.66764         7.878727      0.657957      0.598371
      3.95834      6.15376     16.56020        -5.988662     -7.664267     -7.528670
     19.07989     21.19368      7.57111        -8.488250     -1.079428     -1.929417
     15.67253     19.33768      3.97088         4.487555      5.110309      5.114072
     19.08335      7.03736      8.92617        -9.218404      3.060116     -3.325568
     15.64751     10.14537      6.37122         4.709286     -6.892240      2.922155
     18.15488      2.54787      3.24882         4.098655     -4.877228      5.975887
     20.13355     19.82039      6.10212         0.837207      7.147262     -5.231210
     19.30864      9.05727      5.05363         3.760965     -0.301465      7.540469
      0.37433     10.29436      9.64856        -2.609345    -11.370495    -13.143879
     13.10443     17.71036      5.47415        10.861426     -4.217347     -4.945898
     15.45499     17.10933      5.71396        -1.706155     -1.326257     -3.210777
     14.27247     16.60312      3.65271         1.612338      0.734074      7.286174
     11.88229     15.10214     11.16746         1.534200     -1.341441     -3.221241
     11.57326     14.42552      8.85215        -1.545945      3.157724      6.307873
     13.64008     13.86198     10.02828        -2.377778      1.777468      1.761135
     12.35804     18.26168      6.91646        -7.990614      1.203806      7.333402
     10.08852     18.55100      6.06751         0.692651     -2.550304      3.185123
     10.53075     16.95966      7.85258         1.365659      2.289171     -2.915453
     12.87639     18.13261      0.13892        -0.584680     -2.393154      3.117836
     13.76577     16.68405      1.87278        -2.971111      2.398606     -6.110058
     11.39466     16.58847      1.29784         6.223159     -6.679173     -6.201062
      9.55721      0.48426     18.92674         9.245140     -2.870432     -5.609882
     11.95589      0.06080     18.76391        -2.817100     -0.612784     -1.877638
     10.47847     20.68055     16.94612         6.967159      2.064651      4.530357
      9.48544     19.02283      3.53517        -0.234896     -1.095047     -4.045392
      8.49043     18.35141      1.42160         0.724168      1.141821      3.719107
     10.87869     18.04197      1.80615       -13.416685      9.087099      4.753717
      8.71798      0.76548     20.44579        -9.128982      1.298812      3.756612
      6.87460      1.44272     19.01096        -2.626448     -3.396226      3.268510
      6.54026     20.97008     20.68963         2.419243      2.133258     -2.076987
      8.71304      0.93898     13.32303         9.894177     -0.132743     -0.519806
     10.37380     21.01437     14.64808        -2.580996      1.206896     -1.773222
      8.00814     20.54218     14.97862         7.225271     -9.948386      3.680545
      6.99350      4.15959      9.92136         8.633973     -1.985800     -0.602334
      9.26841      3.68209     10.65483        -0.264055     -1.199000     -3.778476
      8.54385      3.03223      8.42600        -0.075055      1.165992      5.484094
      6.33413      1.46744     16.07410         0.446456     -0.958364     -3.404874
      5.03820      1.14091     14.04370         4.650884      6.660338      4.947495
      7.34246      0.36864     14.15925       -18.415600     11.133716      0.306090
      6.25209      4.92914     11.73310        -6.474522      1.075226      1.809220
      3.88124      5.20357     11.25231         1.067715     -2.642486     10.476832
      4.60285      3.64984     12.97637         0.566342      2.468496     -3.376167
      6.62799      4.44547      5.12030         0.219278     -3.369791      3.416028
      7.09959      2.89714      6.93305        -1.714838      2.549742     -4.060714
      4.79563      3.29851      6.23637         6.173185     -3.085220     -8.337438
      0.34786      7.62518      4.72311        -0.580272     -1.984837     -4.308261
      2.35002      7.57145      3.34593       -13.266221     -1.695931      1.451739
      0.28640      6.59992      2.51863         2.041776      1.407722      3.763181
      4.04699      5.28227      9.57371       -11.416969     -0.855755     -9.336015
      2.03717      4.42677      8.52090         3.522583      0.649669      1.879672
      4.18557      4.33074      7.34900        -5.807032      5.703586      8.312106
      5.53544      7.60441      3.54991        -1.485823     -3.391257      1.399052
      3.42143      7.50101      4.74436        11.705576     -3.863054      1.819570
      5.16494      5.88161      5.22604        -4.258232      3.835120     -4.227569
      1.34142      8.32236     19.79764        -2.600899     -4.758248      7.164291
      2.93415      6.63308     20.55348        -0.061411      2.325006     21.620209
      0.70702      6.72877      0.26631         0.776956      2.500821     -2.998890
     19.86689      9.71234     18.52070        -0.182498      0.047311     -3.117770
     21.00678     10.53728     16.50926        -8.301219     -1.005553      3.241964
     18.93938      9.29069     16.31665         4.802555     -0.132742     11.146977
      4.63486      7.73117     20.06252        -1.291972     -0.087468     -3.453147
      2.67345      6.62426     19.12130         0.763826      0.229184    -18.275883
      4.37053      7.58131     17.65233        -0.312248      3.174941      6.301106
      2.85597     11.65431     15.19283         0.972055     -1.992058      2.886639
      1.42348     11.54759     17.14714         5.189431      4.233570     -9.293523
      3.40960     10.14429     17.01453        -1.541989      3.550303     -3.559275
     17.58056     10.98180     13.09350         3.241491     -1.942830      1.017511
     19.56593      9.71927     12.47591        -9.312421     -7.790917      1.340700
     18.64014      9.51916     14.71914        -3.813008      4.136945    -10.830639
     16.91163     14.54222     10.02124        -0.900297     -1.171132     -3.608209
     18.62362     14.88939      8.32041        -8.412872     -2.443205      0.618815
     16.49253     13.88895      7.71553         2.504881      1.091273      2.848663
      1.21433     12.08579     12.91909        -1.728507     -0.876469     -3.529398
     20.31090     11.12852     12.37120        11.330976      9.854696     -4.210592
      0.71165     11.48548     10.62412         2.736952      8.341405      9.757791
      0.38319     16.15454      7.55769         2.356199     -3.168869      2.627919
     20.03692     15.68241      9.32412         7.904856      2.195454     -4.373652
      0.89612     14.49049      9.25441        -2.713734      2.379457     -1.959271
     17.06719     15.71546      3.03957         1.917536     -2.474448      2.611178
     19.02673     14.39061      3.60779        -2.758689      2.705988     -1.951617
     16.92899     14.04882      4.80618        -0.274547      2.643076     -2.702372
 -----------------------------------------------------------------------------------
    total drift:                                0.016914      0.000500     -0.016496


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4256.1031591253 eV

  energy  without entropy=    -4256.2007154825  energy(sigma->0) =    -4256.13567791
 


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3328
 total energy-change (2. order) : 0.2156496E+04  (-0.1298210E+05)
 number of electron    2498.0000095 magnetization 
 augmentation part      174.7956702 magnetization 

  free energy =  -0.209960695076E+04  energy without entropy=  -0.209964598750E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3640
 total energy-change (2. order) :-0.1588697E+04  (-0.1598594E+04)
 number of electron    2498.0000112 magnetization 
 augmentation part      186.8812628 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7192
  0.7192

  free energy =  -0.368830357628E+04  energy without entropy=  -0.368823314112E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3760
 total energy-change (2. order) : 0.8715349E+02  (-0.7799126E+02)
 number of electron    2498.0000112 magnetization 
 augmentation part      182.5554805 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2835
  1.2835  1.2835

  free energy =  -0.360115008623E+04  energy without entropy=  -0.360124493054E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3728
 total energy-change (2. order) : 0.3073109E+02  (-0.4695952E+02)
 number of electron    2498.0000103 magnetization 
 augmentation part      174.7103123 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1638
  1.4336  1.2931  0.7648

  free energy =  -0.357041899731E+04  energy without entropy=  -0.357040808496E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3840
 total energy-change (2. order) : 0.1208641E+02  (-0.1574115E+02)
 number of electron    2498.0000104 magnetization 
 augmentation part      174.6457410 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0257
  1.3472  1.3472  0.7041  0.7041

  free energy =  -0.355833258633E+04  energy without entropy=  -0.355832981650E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(   6)  ---------------------------------------



 eigenvalue-minimisations  :  4080
 total energy-change (2. order) : 0.7169962E+01  (-0.5150167E+01)
 number of electron    2498.0000106 magnetization 
 augmentation part      175.2784634 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0012
  1.3530  1.3530  0.8626  0.8626  0.5749

  free energy =  -0.355116262458E+04  energy without entropy=  -0.355127153187E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3736
 total energy-change (2. order) : 0.9142710E+00  (-0.1461802E+01)
 number of electron    2498.0000105 magnetization 
 augmentation part      175.3364030 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0014
  1.5308  1.5308  0.9225  0.9225  0.5509  0.5509

  free energy =  -0.355024835354E+04  energy without entropy=  -0.355025583208E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3712
 total energy-change (2. order) : 0.1979151E+00  (-0.4724992E+00)
 number of electron    2498.0000105 magnetization 
 augmentation part      175.4246545 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9911
  1.6697  1.6697  0.9417  0.9417  0.6073  0.6073  0.5000

  free energy =  -0.355005043842E+04  energy without entropy=  -0.355012161641E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3832
 total energy-change (2. order) : 0.1295554E+00  (-0.2449219E+00)
 number of electron    2498.0000105 magnetization 
 augmentation part      175.4339633 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9861
  1.7078  1.7078  1.0503  1.0503  0.7337  0.7337  0.4524  0.4524

  free energy =  -0.354992088300E+04  energy without entropy=  -0.354990129448E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3744
 total energy-change (2. order) : 0.2715894E+00  (-0.1194368E+00)
 number of electron    2498.0000105 magnetization 
 augmentation part      175.3143644 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9825
  1.9721  1.4646  1.1542  1.1542  0.8307  0.8307  0.6536  0.3911  0.3911

  free energy =  -0.354964929364E+04  energy without entropy=  -0.354965731857E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(  11)  ---------------------------------------



 eigenvalue-minimisations  :  3800
 total energy-change (2. order) : 0.4760196E-01  (-0.9820152E-01)
 number of electron    2498.0000105 magnetization 
 augmentation part      175.1854274 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9673
  2.1773  1.3298  1.2178  1.2178  0.8876  0.8876  0.5942  0.5942  0.4605  0.3060

  free energy =  -0.354960169169E+04  energy without entropy=  -0.354963341851E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(  12)  ---------------------------------------



 eigenvalue-minimisations  :  3616
 total energy-change (2. order) : 0.7900350E-01  (-0.3288059E-01)
 number of electron    2498.0000105 magnetization 
 augmentation part      175.1914451 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9566
  2.2711  1.3101  1.2440  1.2440  0.9470  0.9470  0.6594  0.6594  0.4718  0.4718
  0.2972

  free energy =  -0.354952268819E+04  energy without entropy=  -0.354953255002E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(  13)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) : 0.1320440E-02  (-0.7369672E-02)
 number of electron    2498.0000105 magnetization 
 augmentation part      175.1920840 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9551
  2.3292  1.5066  1.1679  1.1679  0.9958  0.9958  0.7767  0.7767  0.5024  0.5024
  0.4312  0.3088

  free energy =  -0.354952136775E+04  energy without entropy=  -0.354950524840E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(  14)  ---------------------------------------



 eigenvalue-minimisations  :  3712
 total energy-change (2. order) :-0.5817620E-04  (-0.2286180E-02)
 number of electron    2498.0000106 magnetization 
 augmentation part      175.2030862 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9630
  2.1531  2.1531  1.0926  1.0926  1.1094  1.1094  0.7930  0.7930  0.5564  0.5564
  0.4825  0.2975  0.3302

  free energy =  -0.354952142592E+04  energy without entropy=  -0.354952035311E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(  15)  ---------------------------------------



 eigenvalue-minimisations  :  3712
 total energy-change (2. order) : 0.5806519E-02  (-0.1418360E-02)
 number of electron    2498.0000105 magnetization 
 augmentation part      175.2058546 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0059
  2.4259  2.2724  1.2655  1.2655  1.0508  1.0508  0.8515  0.8515  0.7056  0.7056
  0.4950  0.4950  0.3009  0.3464

  free energy =  -0.354951561940E+04  energy without entropy=  -0.354950054951E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(  16)  ---------------------------------------



 eigenvalue-minimisations  :  3624
 total energy-change (2. order) :-0.5729607E-02  (-0.2042718E-02)
 number of electron    2498.0000105 magnetization 
 augmentation part      175.2117757 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0092
  2.5618  2.4082  1.3574  1.3574  1.0417  1.0417  0.8980  0.7972  0.7972  0.6204
  0.6204  0.4864  0.4864  0.2989  0.3643

  free energy =  -0.354952134901E+04  energy without entropy=  -0.354949219755E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(  17)  ---------------------------------------



 eigenvalue-minimisations  :  3648
 total energy-change (2. order) :-0.3101706E-03  (-0.1330947E-02)
 number of electron    2498.0000105 magnetization 
 augmentation part      175.2106817 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0317
  2.9766  1.9795  1.9795  1.1084  1.1084  1.1208  1.1208  0.8118  0.8118  0.6787
  0.6787  0.5202  0.5202  0.4266  0.2986  0.3669

  free energy =  -0.354952165918E+04  energy without entropy=  -0.354949889363E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(  18)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) :-0.2988598E-02  (-0.2916330E-03)
 number of electron    2498.0000105 magnetization 
 augmentation part      175.2068483 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0617
  3.2339  2.1361  2.1361  1.1052  1.1052  1.1514  1.1514  0.9107  0.9107  0.7635
  0.7635  0.5366  0.5366  0.5086  0.4390  0.2987  0.3625

  free energy =  -0.354952464778E+04  energy without entropy=  -0.354950258690E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(  19)  ---------------------------------------



 eigenvalue-minimisations  :  3656
 total energy-change (2. order) :-0.1767996E-02  (-0.1785522E-03)
 number of electron    2498.0000105 magnetization 
 augmentation part      175.2055954 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0803
  3.5309  2.1752  2.1752  1.1002  1.1002  1.2098  1.2098  1.0211  1.0211  0.7767
  0.7767  0.6379  0.5572  0.5572  0.4864  0.4497  0.2987  0.3615

  free energy =  -0.354952641577E+04  energy without entropy=  -0.354950214053E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(  20)  ---------------------------------------



 eigenvalue-minimisations  :  3624
 total energy-change (2. order) :-0.1496431E-02  (-0.5635801E-04)
 number of electron    2498.0000105 magnetization 
 augmentation part      175.2043607 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1023
  3.8501  2.3124  1.9589  1.9589  1.1233  1.1233  1.0785  0.9572  0.9572  0.7910
  0.7910  0.7214  0.7214  0.5317  0.5317  0.4378  0.4378  0.2987  0.3611

  free energy =  -0.354952791221E+04  energy without entropy=  -0.354950273033E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(  21)  ---------------------------------------



 eigenvalue-minimisations  :  3624
 total energy-change (2. order) :-0.1063620E-02  (-0.3114958E-04)
 number of electron    2498.0000105 magnetization 
 augmentation part      175.2053216 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1562
  4.2880  2.5829  2.1435  2.1435  1.1124  1.1124  1.1011  1.1011  0.9272  0.9272
  0.9198  0.7723  0.7723  0.6142  0.5369  0.5369  0.2987  0.3607  0.4366  0.4366

  free energy =  -0.354952897583E+04  energy without entropy=  -0.354950398601E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(  22)  ---------------------------------------



 eigenvalue-minimisations  :  3568
 total energy-change (2. order) :-0.9612999E-03  (-0.1215208E-04)
 number of electron    2498.0000105 magnetization 
 augmentation part      175.2060047 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1758
  4.6391  2.6727  2.0957  2.0957  1.3085  1.3085  1.1233  1.1233  0.9590  0.9590
  0.8958  0.7668  0.7668  0.7697  0.6065  0.5361  0.5361  0.2987  0.3606  0.4355
  0.4355

  free energy =  -0.354952993713E+04  energy without entropy=  -0.354950554208E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(  23)  ---------------------------------------



 eigenvalue-minimisations  :  3312
 total energy-change (2. order) :-0.4209441E-03  (-0.4018803E-05)
 number of electron    2498.0000105 magnetization 
 augmentation part      175.2059632 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2160
  5.0497  2.8117  2.1463  2.0307  2.0307  1.1231  1.1231  1.0113  1.0113  1.1130
  0.7846  0.7846  0.8465  0.8465  0.8144  0.6232  0.5351  0.5351  0.2987  0.3606
  0.4359  0.4359

  free energy =  -0.354953035807E+04  energy without entropy=  -0.354950624753E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(  24)  ---------------------------------------



 eigenvalue-minimisations  :  2592
 total energy-change (2. order) :-0.3051749E-03  (-0.1637010E-05)
 number of electron    2498.0000105 magnetization 
 augmentation part      175.2055973 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2578
  5.5719  3.0573  2.5028  1.9831  1.9831  1.1283  1.1283  1.1582  1.1582  0.9901
  0.9901  0.9605  0.7807  0.7807  0.7698  0.7698  0.6161  0.5352  0.5352  0.2987
  0.3606  0.4357  0.4357

  free energy =  -0.354953066325E+04  energy without entropy=  -0.354950627239E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(  25)  ---------------------------------------



 eigenvalue-minimisations  :  2408
 total energy-change (2. order) :-0.1518670E-03  (-0.1357187E-05)
 number of electron    2498.0000105 magnetization 
 augmentation part      175.2054417 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2781
  5.8144  3.2331  2.5885  1.9619  1.9619  1.3790  1.3790  1.1208  1.1208  0.9968
  0.9968  0.7931  0.7931  0.8225  0.8225  0.8767  0.7950  0.6160  0.5353  0.5353
  0.2987  0.3606  0.4357  0.4357

  free energy =  -0.354953081511E+04  energy without entropy=  -0.354950647094E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(  26)  ---------------------------------------



 eigenvalue-minimisations  :  2344
 total energy-change (2. order) :-0.7974941E-04  (-0.4669871E-06)
 number of electron    2498.0000105 magnetization 
 augmentation part      175.2054321 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3212
  6.2547  3.6537  2.5505  2.3226  1.8432  1.8432  1.1239  1.1239  1.0426  1.0426
  1.0244  1.0244  1.0305  0.7806  0.7806  0.8341  0.7708  0.7708  0.6118  0.5351
  0.5351  0.2987  0.3606  0.4357  0.4357

  free energy =  -0.354953089486E+04  energy without entropy=  -0.354950640143E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(  27)  ---------------------------------------



 eigenvalue-minimisations  :  2304
 total energy-change (2. order) :-0.4708394E-04  (-0.3552353E-06)
 number of electron    2498.0000105 magnetization 
 augmentation part      175.2055224 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3280
  6.3675  3.8279  2.4677  2.4677  1.8110  1.8110  1.1252  1.1252  1.2502  1.2502
  1.0097  1.0097  0.9019  0.9019  0.9219  0.7806  0.7806  0.7529  0.7529  0.6124
  0.5351  0.5351  0.2987  0.3606  0.4357  0.4357

  free energy =  -0.354953094195E+04  energy without entropy=  -0.354950665270E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(  28)  ---------------------------------------



 eigenvalue-minimisations  :  2320
 total energy-change (2. order) :-0.1396472E-04  (-0.1840578E-06)
 number of electron    2498.0000105 magnetization 
 augmentation part      175.2055689 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3520
  6.5468  4.0762  2.5946  2.5946  1.8454  1.8454  1.3197  1.3197  1.1150  1.1150
  1.0933  1.0933  0.9938  0.9938  0.7791  0.7791  0.8549  0.8549  0.7385  0.7385
  0.6125  0.5351  0.5351  0.2987  0.3606  0.4357  0.4357

  free energy =  -0.354953095591E+04  energy without entropy=  -0.354950666067E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    2(  29)  ---------------------------------------



 eigenvalue-minimisations  :  2264
 total energy-change (2. order) :-0.9373063E-05  (-0.9882156E-07)
 number of electron    2498.0000105 magnetization 
 augmentation part      175.2055689 magnetization 

  free energy =  -0.354953096528E+04  energy without entropy=  -0.354950668899E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.3634       2 -55.5229       3 -55.5478       4 -55.3569       5 -55.3481
       6 -55.8258       7 -59.6523       8 -59.5278       9 -55.9541      10 -55.7330
      11 -55.7874      12 -55.5296      13 -55.5877      14 -55.8566      15 -60.9357
      16 -59.4268      17 -55.9443      18 -54.5602      19 -54.2657      20 -54.9244
      21 -54.9228      22 -54.9556      23 -55.0697      24 -55.0442      25 -54.7631
      26 -54.1785      27 -54.4036      28 -54.5450      29 -60.3328      30 -61.1100
      31 -55.5292      32 -55.6710      33 -55.5142      34 -55.2412      35 -55.3102
      36 -55.7548      37 -62.9692      38 -60.6262      39 -55.7478      40 -55.3160
      41 -55.6433      42 -55.3545      43 -55.4697      44 -55.4290      45 -61.5950
      46 -57.9890      47 -56.0033      48 -54.9463      49 -54.4865      50 -55.1388
      51 -55.6432      52 -55.4857      53 -55.3846      54 -55.7128      55 -55.0982
      56 -54.6348      57 -54.8993      58 -55.9988      59 -61.4775      60 -60.5289
      61 -55.0884      62 -55.2599      63 -55.4254      64 -55.1758      65 -55.1254
      66 -55.3859      67 -56.9822      68 -59.4357      69 -55.5757      70 -55.3467
      71 -55.4771      72 -55.2043      73 -55.2259      74 -55.4850      75 -60.9510
      76 -60.5766      77 -55.7394      78 -54.5181      79 -54.2821      80 -54.9709
      81 -55.0123      82 -55.1740      83 -55.1804      84 -55.0352      85 -54.8338
      86 -54.4439      87 -54.5085      88 -55.7073      89 -62.8516      90 -60.2283
      91 -55.1950      92 -55.3891      93 -55.2626      94 -55.0938      95 -55.0584
      96 -55.5086      97 -60.8258      98 -57.9336      99 -55.6808     100 -55.3607
     101 -55.4629     102 -55.2478     103 -55.1676     104 -55.2757     105 -60.5581
     106 -58.3179     107 -55.7960     108 -54.7206     109 -55.2608     110 -54.7100
     111 -55.4183     112 -55.1088     113 -55.3131     114 -55.4297     115 -55.0072
     116 -54.7143     117 -54.9286     118 -56.0317     119 -59.3420     120 -60.2843
     121 -55.2431     122 -55.2682     123 -55.3204     124 -55.2532     125 -55.2619
     126 -55.6440     127 -61.7600     128 -60.2653     129 -55.6159     130 -55.3177
     131 -55.3077     132 -55.1627     133 -55.1298     134 -55.3062     135 -61.2251
     136 -60.8782     137 -55.6697     138 -54.7719     139 -54.3870     140 -54.9469
     141 -55.1241     142 -55.3532     143 -55.1478     144 -54.8627     145 -54.9026
     146 -54.7274     147 -55.3899     148 -55.4436     149 -64.7482     150 -60.4275
     151 -55.2117     152 -55.1820     153 -55.1841     154 -55.0959     155 -55.1442
     156 -55.5208     157 -60.5931     158 -60.8915     159 -55.6490     160 -55.2178
     161 -55.2167     162 -55.2809     163 -55.3548     164 -55.1124     165 -68.1923
     166 -60.7396     167 -55.7249     168 -54.8153     169 -54.3644     170 -55.1875
     171 -55.4930     172 -55.4409     173 -55.4486     174 -55.3099     175 -54.5925
     176 -54.3720     177 -54.6903     178 -55.5062     179 -60.6818     180 -60.5282
     181 -55.1765     182 -55.3091     183 -55.2131     184 -55.0377     185 -54.8825
     186 -55.4752     187 -57.1916     188 -61.1893     189 -55.5298     190 -55.1387
     191 -55.1813     192 -55.1478     193 -55.1362     194 -55.1538     195 -60.6547
     196 -60.9678     197 -55.2634     198 -54.1562     199 -53.8023     200 -54.4703
     201 -54.9105     202 -54.7434     203 -54.6646     204 -54.3288     205 -54.3440
     206 -54.0519     207 -54.2541     208 -55.3700     209 -64.1591     210 -60.0929
     211 -55.0754     212 -55.4934     213 -55.2013     214 -55.1312     215 -55.0656
     216 -55.5403     217 -59.8033     218 -58.9295     219 -55.5274     220 -55.1295
     221 -55.1494     222 -55.0669     223 -55.0693     224 -55.0962     225 -61.3882
     226 -60.6781     227 -55.5037     228 -54.4271     229 -54.6425     230 -54.5277
     231 -54.9140     232 -55.5578     233 -55.5769     234 -54.9576     235 -54.4367
     236 -54.2764     237 -54.7037     238 -55.5235     239 -60.3846     240 -60.6598
     241 -55.4843     242 -55.4419     243 -55.4833     244 -55.3233     245 -55.3487
     246 -55.7442     247 -60.8638     248 -57.7011     249 -56.1800     250 -55.9675
     251 -56.1501     252 -55.7526     253 -55.8646     254 -56.0444     255 -62.3246
     256 -58.7198     257 -56.8091     258 -56.1426     259 -57.4833     260 -55.8206
     261 -55.7576     262 -56.5997     263 -55.7312     264 -55.4315     265 -55.2180
     266 -54.8042     267 -55.9985     268 -55.9084     269 -59.6919     270 -62.1091
     271 -55.7647     272 -55.5811     273 -55.5594     274 -55.6232     275 -55.5450
     276 -55.9247     277 -60.1506     278 -59.6519     279 -55.7426     280 -55.6847
     281 -55.9109     282 -55.4090     283 -55.4388     284 -55.7362     285 -66.2717
     286 -58.5708     287 -56.1546     288 -55.3389     289 -54.6368     290 -56.0223
     291 -55.6288     292 -55.7997     293 -55.1763     294 -55.4288     295 -54.8471
     296 -53.9368     297 -54.4233     298 -55.8131     299 -61.9886     300 -60.4922
     301 -55.0083     302 -55.2373     303 -55.0939     304 -54.9486     305 -54.9874
     306 -55.3811     307 -60.3555     308 -58.4378     309 -55.4024     310 -55.0208
     311 -55.0501     312 -54.9953     313 -55.0237     314 -55.0885     315 -61.0783
     316 -60.9790     317 -55.4607     318 -54.4437     319 -54.2939     320 -54.6439
     321 -54.9418     322 -54.9968     323 -55.0182     324 -54.7509     325 -54.4639
     326 -54.4437     327 -54.4327     328 -55.5090     329 -62.3002     330 -59.9930
     331 -54.7007     332 -54.6652     333 -54.6137     334 -54.6146     335 -54.5205
     336 -54.8886     337 -59.3876     338 -61.0335     339 -54.8237     340 -54.4280
     341 -54.3285     342 -54.4434     343 -54.5987     344 -54.1675     345 -70.3266
     346 -59.6181     347 -55.2492     348 -54.1929     349 -53.8811     350 -54.6726
     351 -54.9405     352 -54.7354     353 -54.7514     354 -54.8341     355 -54.4159
     356 -53.7633     357 -54.2110     358 -55.3099     359 -60.1119     360 -60.0444
     361 -38.3771     362 -38.6178     363 -38.1205     364 -38.4582     365 -38.1759
     366 -38.7313     367 -38.1697     368 -38.3548     369 -38.3870     370 -38.2761
     371 -38.0099     372 -37.6263     373 -38.5956     374 -39.0926     375 -37.9901
     376 -38.7133     377 -38.0578     378 -38.4712     379 -38.3421     380 -38.4278
     381 -38.8955     382 -38.6343     383 -38.1219     384 -38.5817     385 -38.4732
     386 -38.2742     387 -37.9401     388 -38.0765     389 -37.8719     390 -38.5767
     391 -38.2464     392 -37.8118     393 -38.3506     394 -38.9805     395 -37.9594
     396 -38.3760     397 -37.9632     398 -38.4119     399 -37.7737     400 -38.1856
     401 -37.9414     402 -38.5447     403 -39.8671     404 -38.3519     405 -38.3137
     406 -38.1739     407 -37.5732     408 -38.2849     409 -38.1807     410 -38.4917
     411 -37.9634     412 -38.1401     413 -37.8771     414 -38.2294     415 -38.7171
     416 -38.0858     417 -38.3104     418 -38.5603     419 -38.0347     420 -38.6161
     421 -38.0591     422 -38.1545     423 -37.7945     424 -38.3291     425 -38.1423
     426 -38.8437     427 -38.1090     428 -38.0834     429 -38.7350     430 -38.3506
     431 -37.5473     432 -38.2052     433 -37.5379     434 -38.2400     435 -38.0011
     436 -37.9311     437 -37.8157     438 -38.7635     439 -37.9341     440 -38.1731
     441 -38.1702     442 -38.4466     443 -36.9008     444 -37.6873     445 -37.6525
     446 -38.2493     447 -37.5721     448 -37.5647     449 -37.5426     450 -38.2861
     451 -38.3137     452 -37.9071     453 -37.8330     454 -37.7425     455 -37.2254
     456 -37.5958     457 -38.5349     458 -38.2713     459 -38.0642     460 -38.7831
     461 -38.5230     462 -39.1195     463 -58.5607     464 -39.3928     465 -39.0763
     466 -38.5368     467 -37.6073     468 -39.3049     469 -38.7224     470 -38.7457
     471 -38.1592     472 -38.7092     473 -38.0055     474 -38.7712     475 -38.8573
     476 -38.6099     477 -39.8955     478 -38.5979     479 -38.0081     480 -38.0350
     481 -38.0361     482 -38.2235     483 -37.7354     484 -37.9674     485 -37.6832
     486 -38.1747     487 -38.2890     488 -37.8371     489 -38.0447     490 -38.5273
     491 -37.5523     492 -38.0611     493 -37.9522     494 -37.7818     495 -37.1358
     496 -37.7701     497 -36.9753     498 -37.7674     499 -37.7375     500 -37.7397
     501 -38.2037     502 -38.0816     503 -37.4943     504 -37.6339     505 -37.6485
     506 -38.1306     507 -69.4835     508 -69.6906     509 -69.1195     510 -69.7929
     511 -70.1607     512 -69.1169     513 -69.6159     514 -69.5274     515 -69.1031
     516 -69.2853     517 -69.1439     518 -68.7982     519 -69.3896     520 -68.9307
     521 -69.7040     522 -68.9424     523 -69.6359     524 -70.2368     525 -69.0807
     526 -69.5691     527 -69.4663     528 -68.9321     529 -68.6903     530 -68.4033
     531 -80.0911     532 -80.3149     533 -79.8185     534 -82.0275     535 -81.3971
     536 -83.8945     537 -77.4638     538 -82.3140     539 -80.2272     540 -76.6912
     541 -81.3130     542 -82.0376     543 -77.5020     544 -81.8445     545 -78.2900
     546 -81.3179     547 -81.0884     548 -82.5743     549 -81.6510     550 -82.1762
     551 -81.7507     552 -81.5409     553 -81.5508     554 -87.4818     555 -82.1310
     556 -76.9340     557 -81.9264     558 -81.5747     559 -79.2824     560 -80.4904
     561 -81.5999     562 -82.2315     563 -77.0962     564 -81.6861     565 -78.6619
     566 -83.4310     567 -80.1605     568 -81.0375     569 -78.6771     570 -86.9381
     571 -78.6376     572 -81.1448     573 -81.6512     574 -82.0120     575 -81.8275
     576 -80.0532     577 -80.4444     578 -88.5283     579 -84.2325     580 -80.7741
     581 -84.6454     582 -83.5990     583 -82.0326     584 -81.7806     585 -81.4928
     586 -82.3184     587 -83.5915     588 -84.4072     589 -85.9817     590 -79.7785
     591 -83.4039     592 -81.5210     593 -82.3734     594 -82.8836     595 -80.5335
     596 -87.7623     597 -81.3775     598 -82.1335     599 -83.5165     600 -81.7326
     601 -83.1963     602 -81.9390     603 -82.5407     604 -81.3806     605 -84.2411
     606 -82.1807     607 -83.1688     608 -89.9588     609 -81.4417     610 -82.3306
     611 -83.6664     612 -84.2366     613 -83.0014     614 -80.9916     615 -81.5595
     616 -82.5906     617 -82.7980     618 -88.5521     619 -79.7091     620 -84.0290
     621 -82.2638     622 -82.1989     623 -84.2339     624 -83.6359     625 -83.2103
     626 -82.7521     627 -81.1989     628 -81.4594     629 -87.6233     630 -83.4722
     631 -88.1899     632 -85.0789     633 -82.1514     634 -80.9774     635 -84.1042
     636 -84.1043     637 -79.6478     638 -86.8876     639 -81.2049     640 -82.6809
     641 -82.7817     642 -81.9676     643 -86.2436     644 -83.3602     645 -81.6286
     646 -81.6472     647 -83.2148     648 -83.6473     649 -81.3805     650 -81.5716
 
 
 
 E-fermi :   0.2812     XC(G=0):  -6.2642     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -41.7252      2.00000
      2     -39.1355      2.00000
      3     -38.1937      2.00000
      4     -37.1119      2.00000
      5     -36.8505      2.00000
      6     -36.2273      2.00000
      7     -36.0904      2.00000
      8     -35.0251      2.00000
      9     -33.8780      2.00000
     10     -33.8575      2.00000
     11     -32.3653      2.00000
     12     -32.3396      2.00000
     13     -31.9233      2.00000
     14     -31.9129      2.00000
     15     -31.7733      2.00000
     16     -31.6654      2.00000
     17     -31.5904      2.00000
     18     -31.3506      2.00000
     19     -31.2234      2.00000
     20     -30.8563      2.00000
     21     -30.8134      2.00000
     22     -30.7672      2.00000
     23     -30.7479      2.00000
     24     -30.7263      2.00000
     25     -30.6611      2.00000
     26     -30.6594      2.00000
     27     -30.3449      2.00000
     28     -30.2550      2.00000
     29     -30.2516      2.00000
     30     -30.2258      2.00000
     31     -30.2049      2.00000
     32     -30.1545      2.00000
     33     -30.0549      2.00000
     34     -29.8920      2.00000
     35     -29.8498      2.00000
     36     -29.8384      2.00000
     37     -29.7729      2.00000
     38     -29.7719      2.00000
     39     -29.7649      2.00000
     40     -29.6566      2.00000
     41     -29.6228      2.00000
     42     -29.5817      2.00000
     43     -29.5724      2.00000
     44     -29.4797      2.00000
     45     -29.4531      2.00000
     46     -29.4512      2.00000
     47     -29.4231      2.00000
     48     -29.3805      2.00000
     49     -29.3423      2.00000
     50     -29.3396      2.00000
     51     -29.3190      2.00000
     52     -29.3117      2.00000
     53     -29.2260      2.00000
     54     -29.2024      2.00000
     55     -29.1973      2.00000
     56     -29.1617      2.00000
     57     -29.1226      2.00000
     58     -29.0916      2.00000
     59     -29.0684      2.00000
     60     -29.0657      2.00000
     61     -29.0162      2.00000
     62     -28.8187      2.00000
     63     -28.6400      2.00000
     64     -28.6035      2.00000
     65     -28.5584      2.00000
     66     -28.5329      2.00000
     67     -28.4525      2.00000
     68     -28.4201      2.00000
     69     -28.3892      2.00000
     70     -28.3637      2.00000
     71     -28.3319      2.00000
     72     -28.1509      2.00000
     73     -28.0667      2.00000
     74     -28.0171      2.00000
     75     -27.9047      2.00000
     76     -27.9024      2.00000
     77     -27.8178      2.00000
     78     -27.7985      2.00000
     79     -27.6152      2.00000
     80     -27.5843      2.00000
     81     -27.4763      2.00000
     82     -27.4306      2.00000
     83     -27.0749      2.00000
     84     -27.0479      2.00000
     85     -27.0259      2.00000
     86     -27.0052      2.00000
     87     -26.8810      2.00000
     88     -26.8658      2.00000
     89     -26.8175      2.00000
     90     -26.6556      2.00000
     91     -26.6333      2.00000
     92     -26.6081      2.00000
     93     -26.5352      2.00000
     94     -26.5097      2.00000
     95     -26.1877      2.00000
     96     -26.1509      2.00000
     97     -26.1463      2.00000
     98     -26.1461      2.00000
     99     -25.9894      2.00000
    100     -25.7942      2.00000
    101     -25.6914      2.00000
    102     -25.6692      2.00000
    103     -25.6690      2.00000
    104     -25.6461      2.00000
    105     -25.6008      2.00000
    106     -25.5978      2.00000
    107     -25.5703      2.00000
    108     -25.5646      2.00000
    109     -25.5200      2.00000
    110     -25.4813      2.00000
    111     -25.2833      2.00000
    112     -25.2531      2.00000
    113     -24.9625      2.00000
    114     -24.8611      2.00000
    115     -24.8377      2.00000
    116     -24.5028      2.00000
    117     -24.2159      2.00000
    118     -23.7417      2.00000
    119     -23.5283      2.00000
    120     -23.4481      2.00000
    121     -19.7551      2.00000
    122     -19.2738      2.00000
    123     -19.2513      2.00000
    124     -19.1779      2.00000
    125     -19.1241      2.00000
    126     -18.8333      2.00000
    127     -18.8052      2.00000
    128     -18.7134      2.00000
    129     -18.6505      2.00000
    130     -18.6266      2.00000
    131     -18.5454      2.00000
    132     -18.5338      2.00000
    133     -18.4826      2.00000
    134     -18.4135      2.00000
    135     -18.3238      2.00000
    136     -18.2698      2.00000
    137     -18.2669      2.00000
    138     -18.2609      2.00000
    139     -18.1961      2.00000
    140     -18.1814      2.00000
    141     -18.1722      2.00000
    142     -18.1419      2.00000
    143     -18.1181      2.00000
    144     -18.1131      2.00000
    145     -18.0922      2.00000
    146     -18.0439      2.00000
    147     -18.0111      2.00000
    148     -18.0057      2.00000
    149     -17.9975      2.00000
    150     -17.9405      2.00000
    151     -17.9128      2.00000
    152     -17.8865      2.00000
    153     -17.8817      2.00000
    154     -17.8540      2.00000
    155     -17.8408      2.00000
    156     -17.8107      2.00000
    157     -17.7950      2.00000
    158     -17.7725      2.00000
    159     -17.7408      2.00000
    160     -17.7054      2.00000
    161     -17.6560      2.00000
    162     -17.6234      2.00000
    163     -17.6171      2.00000
    164     -17.6135      2.00000
    165     -17.5680      2.00000
    166     -17.5616      2.00000
    167     -17.5334      2.00000
    168     -17.5191      2.00000
    169     -17.4837      2.00000
    170     -17.4743      2.00000
    171     -17.4441      2.00000
    172     -17.4377      2.00000
    173     -17.3972      2.00000
    174     -17.3462      2.00000
    175     -17.3001      2.00000
    176     -17.2836      2.00000
    177     -17.2340      2.00000
    178     -17.1738      2.00000
    179     -17.1718      2.00000
    180     -17.1194      2.00000
    181     -17.0874      2.00000
    182     -17.0772      2.00000
    183     -17.0349      2.00000
    184     -17.0221      2.00000
    185     -17.0010      2.00000
    186     -16.9876      2.00000
    187     -16.9786      2.00000
    188     -16.9566      2.00000
    189     -16.8953      2.00000
    190     -16.8504      2.00000
    191     -16.8350      2.00000
    192     -16.8142      2.00000
    193     -16.7629      2.00000
    194     -16.7090      2.00000
    195     -16.6700      2.00000
    196     -16.6501      2.00000
    197     -16.6036      2.00000
    198     -16.5646      2.00000
    199     -16.4892      2.00000
    200     -16.4675      2.00000
    201     -16.4625      2.00000
    202     -16.3410      2.00000
    203     -16.2826      2.00000
    204     -16.2770      2.00000
    205     -16.1312      2.00000
    206     -16.1085      2.00000
    207     -16.0996      2.00000
    208     -16.0752      2.00000
    209     -16.0598      2.00000
    210     -16.0173      2.00000
    211     -15.9910      2.00000
    212     -15.9869      2.00000
    213     -15.8998      2.00000
    214     -15.8222      2.00000
    215     -15.8041      2.00000
    216     -15.7931      2.00000
    217     -15.7871      2.00000
    218     -15.7262      2.00000
    219     -15.6972      2.00000
    220     -15.6704      2.00000
    221     -15.6201      2.00000
    222     -15.5906      2.00000
    223     -15.5487      2.00000
    224     -15.5440      2.00000
    225     -15.5400      2.00000
    226     -15.5205      2.00000
    227     -15.4976      2.00000
    228     -15.4874      2.00000
    229     -15.4699      2.00000
    230     -15.4392      2.00000
    231     -15.4175      2.00000
    232     -15.3787      2.00000
    233     -15.3437      2.00000
    234     -15.3326      2.00000
    235     -15.3196      2.00000
    236     -15.3095      2.00000
    237     -15.2848      2.00000
    238     -15.2834      2.00000
    239     -15.2818      2.00000
    240     -15.2402      2.00000
    241     -15.2137      2.00000
    242     -15.1899      2.00000
    243     -15.1509      2.00000
    244     -15.1117      2.00000
    245     -15.1029      2.00000
    246     -15.0989      2.00000
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    249     -15.0058      2.00000
    250     -14.9970      2.00000
    251     -14.9862      2.00000
    252     -14.9652      2.00000
    253     -14.9530      2.00000
    254     -14.9401      2.00000
    255     -14.9214      2.00000
    256     -14.9111      2.00000
    257     -14.8941      2.00000
    258     -14.8756      2.00000
    259     -14.8586      2.00000
    260     -14.8341      2.00000
    261     -14.8070      2.00000
    262     -14.7873      2.00000
    263     -14.7842      2.00000
    264     -14.7765      2.00000
    265     -14.7594      2.00000
    266     -14.7201      2.00000
    267     -14.6916      2.00000
    268     -14.6856      2.00000
    269     -14.6560      2.00000
    270     -14.6162      2.00000
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    272     -14.5915      2.00000
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    274     -14.5550      2.00000
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    276     -14.5366      2.00000
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    280     -14.4604      2.00000
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    282     -14.4106      2.00000
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    286     -14.2895      2.00000
    287     -14.2726      2.00000
    288     -14.2578      2.00000
    289     -14.1744      2.00000
    290     -14.1689      2.00000
    291     -14.0919      2.00000
    292     -14.0606      2.00000
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    294     -13.9937      2.00000
    295     -13.9777      2.00000
    296     -13.9507      2.00000
    297     -13.9468      2.00000
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    300     -13.9027      2.00000
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   1465       5.3800     -0.00000
   1466       5.3814     -0.00000
   1467       5.3968     -0.00000
   1468       5.4111     -0.00000
   1469       5.4125     -0.00000
   1470       5.4226     -0.00000
   1471       5.4306     -0.00000
   1472       5.4576     -0.00000
   1473       5.4691     -0.00000
   1474       5.4824     -0.00000
   1475       5.4900     -0.00000
   1476       5.4965     -0.00000
   1477       5.5093     -0.00000
   1478       5.5144     -0.00000
   1479       5.5187     -0.00000
   1480       5.5326     -0.00000
   1481       5.5499     -0.00000
   1482       5.5580     -0.00000
   1483       5.5751     -0.00000
   1484       5.5879     -0.00000
   1485       5.6015     -0.00000
   1486       5.6140      0.00000
   1487       5.6186      0.00000
   1488       5.6289      0.00000
   1489       5.6418      0.00000
   1490       5.6538      0.00000
   1491       5.6704      0.00000
   1492       5.6831      0.00000
   1493       5.6890      0.00000
   1494       5.6947      0.00000
   1495       5.7054      0.00000
   1496       5.7127      0.00000
   1497       5.7259      0.00000
   1498       5.7446      0.00000
   1499       5.7503      0.00000
   1500       5.7582      0.00000
   1501       5.7692      0.00000
   1502       5.7748      0.00000
   1503       5.7883      0.00000
   1504       5.8010      0.00000
   1505       5.8155      0.00000
   1506       5.8197      0.00000
   1507       5.8282      0.00000
   1508       5.8367      0.00000
   1509       5.8470      0.00000
   1510       5.8550      0.00000
   1511       5.8665      0.00000
   1512       5.8702      0.00000
   1513       5.8925      0.00000
   1514       5.8985      0.00000
   1515       5.9046      0.00000
   1516       5.9115      0.00000
   1517       5.9279      0.00000
   1518       5.9325      0.00000
   1519       5.9375      0.00000
   1520       5.9417      0.00000
   1521       5.9616      0.00000
   1522       5.9708      0.00000
   1523       5.9742      0.00000
   1524       5.9838      0.00000
   1525       5.9945      0.00000
   1526       6.0107      0.00000
   1527       6.0189      0.00000
   1528       6.0324      0.00000
   1529       6.0356      0.00000
   1530       6.0489      0.00000
   1531       6.0540      0.00000
   1532       6.0663      0.00000
   1533       6.0730      0.00000
   1534       6.0845      0.00000
   1535       6.0992      0.00000
   1536       6.1041      0.00000
   1537       6.1177      0.00000
   1538       6.1287      0.00000
   1539       6.1372      0.00000
   1540       6.1490      0.00000
   1541       6.1562      0.00000
   1542       6.1610      0.00000
   1543       6.1758      0.00000
   1544       6.1837      0.00000
   1545       6.1847      0.00000
   1546       6.1994      0.00000
   1547       6.2115      0.00000
   1548       6.2183      0.00000
   1549       6.2307      0.00000
   1550       6.2358      0.00000
   1551       6.2463      0.00000
   1552       6.2538      0.00000
   1553       6.2604      0.00000
   1554       6.2704      0.00000
   1555       6.2852      0.00000
   1556       6.2992      0.00000
   1557       6.3004      0.00000
   1558       6.3158      0.00000
   1559       6.3171      0.00000
   1560       6.3299      0.00000
   1561       6.3326      0.00000
   1562       6.3490      0.00000
   1563       6.3533      0.00000
   1564       6.3681      0.00000
   1565       6.3715      0.00000
   1566       6.3884      0.00000
   1567       6.3973      0.00000
   1568       6.4042      0.00000
   1569       6.4135      0.00000
   1570       6.4241      0.00000
   1571       6.4286      0.00000
   1572       6.4393      0.00000
   1573       6.4504      0.00000
   1574       6.4781      0.00000
   1575       6.4867      0.00000
   1576       6.5000      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.036  13.342  -0.000   0.000  -0.000   0.002   0.000   0.002
 13.342  17.736  -0.000   0.000  -0.001   0.003   0.000   0.002
 -0.000  -0.000  -4.202  -0.000  -0.000   8.228   0.000   0.000
  0.000   0.000  -0.000  -4.199   0.000   0.000   8.224   0.000
 -0.000  -0.001  -0.000   0.000  -4.198   0.000   0.000   8.225
  0.002   0.003   8.228   0.000   0.000 -18.240  -0.000  -0.000
  0.000   0.000   0.000   8.224   0.000  -0.000 -18.233  -0.001
  0.002   0.002   0.000   0.000   8.225  -0.000  -0.001 -18.240
 total augmentation occupancy for first ion, spin component:           1
  6.717  -2.834  -0.010   0.020  -0.034  -0.009   0.005  -0.006
 -2.834   1.310  -0.039  -0.022   0.023   0.006  -0.003   0.003
 -0.010  -0.039   1.627   0.002   0.006   0.145   0.000   0.002
  0.020  -0.022   0.002   1.552  -0.067   0.000   0.133  -0.011
 -0.034   0.023   0.006  -0.067   1.143   0.002  -0.011   0.065
 -0.009   0.006   0.145   0.000   0.002   0.015   0.000   0.000
  0.005  -0.003   0.000   0.133  -0.011   0.000   0.012  -0.001
 -0.006   0.003   0.002  -0.011   0.065   0.000  -0.001   0.004


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -58918.98766127735.87631 51262.91072-13223.45973  5183.64809 34286.89027
  Hartree -3562.32081154751.27850 87574.49764-13190.83095  3455.74990 28255.48109
  E(xc)  -10929.84324-10802.01803-10838.27885     1.35421     7.46128    27.16094
  Local   29640.68971************************ 26298.47920 -8766.74117-61527.24801
  n-local -6108.95026 -6135.31213 -6335.46080    22.49618    46.55466   -63.30336
  augment  1535.65059  1523.71883  1428.67499    17.23139    29.23560   -27.09286
  Kinetic 46892.38848 44277.36407 45159.74921   -44.40013  -122.27163  -467.42446
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     1456.4855281   1467.5395850   2851.4987280   -119.1298447   -166.3632560    484.4636123
  in kB      242.8806201    244.7239725    475.5102374    -19.8658552    -27.7424046     80.7881852
  external PRESSURE =     321.0382767 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.348E+03 -.153E+03 0.235E+03   0.348E+03 0.155E+03 -.235E+03   -.297E+00 0.377E+01 0.942E+00   0.737E-04 -.289E-04 -.282E-03
   -.313E+03 -.148E+03 0.504E+02   0.314E+03 0.145E+03 -.507E+02   0.927E+00 0.234E+01 -.395E+01   0.229E-05 -.301E-04 -.615E-04
   -.262E+03 -.129E+03 0.543E+01   0.263E+03 0.129E+03 -.296E+01   -.668E+00 -.175E+01 -.688E+00   0.546E-04 -.130E-03 -.365E-04
   -.299E+03 -.100E+03 0.346E+03   0.299E+03 0.969E+02 -.346E+03   -.126E+00 -.207E+01 0.215E+01   0.207E-03 -.158E-03 -.349E-03
   -.256E+03 -.167E+03 0.316E+03   0.256E+03 0.170E+03 -.317E+03   -.439E-01 0.540E+00 -.381E+00   0.257E-03 -.289E-03 -.226E-03
   -.217E+03 -.120E+03 0.184E+03   0.217E+03 0.119E+03 -.185E+03   0.167E+00 -.103E+01 -.337E+00   0.177E-03 -.223E-03 -.646E-04
   -.356E+03 -.205E+03 0.451E+02   0.344E+03 0.254E+03 0.232E+02   0.992E+00 -.169E+01 -.173E+01   0.659E-04 -.132E-04 -.366E-03
   -.320E+03 -.772E+02 0.102E+03   0.336E+03 0.754E+02 -.174E+03   -.477E+00 -.136E+00 0.205E+01   -.847E-04 -.149E-04 0.574E-04
   -.162E+03 -.132E+02 0.211E+03   0.162E+03 0.141E+02 -.211E+03   -.374E-02 0.147E+01 0.978E+00   0.196E-03 -.234E-03 0.100E-04
   -.149E+03 0.800E+02 0.854E+02   0.149E+03 -.807E+02 -.840E+02   0.128E+00 0.176E+01 0.629E+00   0.837E-04 -.167E-03 0.120E-03
   -.172E+03 0.137E+03 0.161E+03   0.172E+03 -.136E+03 -.162E+03   0.160E+01 -.345E+00 -.322E+01   0.291E-04 -.162E-03 0.181E-03
   -.165E+03 0.154E+02 0.343E+03   0.165E+03 -.185E+02 -.346E+03   -.546E-01 -.753E+00 -.511E+00   0.301E-03 -.205E-03 -.928E-04
   -.172E+03 -.327E+02 0.365E+03   0.172E+03 0.360E+02 -.364E+03   0.183E+00 0.163E+01 0.294E+01   0.239E-03 -.225E-03 -.116E-03
   -.198E+03 0.811E+02 0.318E+03   0.198E+03 -.834E+02 -.318E+03   -.131E+01 -.106E+01 0.482E-01   0.613E-04 -.136E-03 0.581E-04
   -.108E+03 0.251E+03 0.218E+03   0.716E+02 -.339E+03 -.163E+03   0.312E+01 0.435E+01 -.251E+01   0.104E-04 0.323E-04 0.110E-03
   -.232E+03 0.109E+03 0.184E+03   0.245E+03 -.891E+02 -.247E+03   0.123E+00 0.279E-01 0.298E+01   0.838E-05 -.106E-03 0.264E-03
   -.200E+03 0.106E+03 0.260E+02   0.201E+03 -.101E+03 -.206E+02   0.282E+00 -.226E+01 -.219E+01   -.766E-04 0.250E-05 0.156E-03
   -.115E+03 0.242E+03 -.171E+03   0.115E+03 -.245E+03 0.168E+03   0.111E+01 -.961E+00 -.324E+01   -.389E-04 -.633E-05 0.669E-04
   -.992E+02 0.152E+03 -.211E+03   0.100E+03 -.148E+03 0.215E+03   -.591E+00 0.155E+01 -.531E+00   -.241E-04 0.855E-04 -.530E-04
   -.180E+03 0.164E+03 0.174E+03   0.181E+03 -.165E+03 -.174E+03   -.210E+00 -.200E+01 0.106E+01   -.104E-03 0.108E-03 0.157E-03
   -.122E+03 0.145E+03 -.334E+02   0.121E+03 -.147E+03 0.375E+02   0.240E+00 -.616E+00 -.528E+00   -.105E-03 0.962E-04 0.146E-03
   -.943E+02 0.742E+02 -.148E+03   0.944E+02 -.775E+02 0.144E+03   0.949E+00 -.148E+01 -.324E+01   -.607E-04 0.924E-04 0.131E-04
   -.112E+03 -.522E+02 -.245E+03   0.113E+03 0.564E+02 0.248E+03   -.401E+00 0.805E+00 0.331E+01   -.436E-04 0.708E-04 -.564E-04
   -.764E+02 -.101E+03 -.303E+03   0.784E+02 0.105E+03 0.301E+03   -.651E+00 -.160E+01 0.125E+01   0.209E-04 0.177E-03 -.198E-03
   -.384E+02 -.154E+03 -.408E+03   0.386E+02 0.155E+03 0.408E+03   0.901E-01 -.129E+01 -.188E+01   0.490E-04 0.250E-03 -.247E-03
   -.163E+03 -.166E+03 -.216E+03   0.164E+03 0.164E+03 0.213E+03   -.164E+01 -.230E+01 0.197E+01   -.404E-04 0.919E-04 0.457E-04
   -.135E+03 -.323E+03 -.245E+03   0.136E+03 0.325E+03 0.245E+03   0.354E+00 -.521E+00 0.874E+00   -.715E-05 0.109E-03 0.612E-04
   -.697E+02 -.267E+03 -.358E+03   0.696E+02 0.268E+03 0.360E+03   -.571E+00 -.918E+00 0.149E+01   0.175E-04 0.186E-03 -.622E-04
   -.902E+02 -.731E+01 -.264E+03   0.989E+02 0.156E+02 0.255E+03   -.633E+01 -.901E+01 0.473E+01   0.103E-03 0.184E-03 -.351E-03
   -.150E+03 0.207E+03 -.554E+02   0.156E+03 -.235E+03 0.810E+02   0.268E+01 0.977E+01 -.501E+01   -.716E-04 0.934E-04 0.125E-03
   -.151E+03 -.770E+02 -.686E+02   0.151E+03 0.782E+02 0.697E+02   -.954E-01 0.276E+01 0.493E+00   -.303E-04 -.192E-03 0.164E-03
   -.908E+02 -.166E+03 0.759E+02   0.901E+02 0.166E+03 -.762E+02   -.236E+00 0.748E+00 0.418E+01   0.433E-04 -.207E-03 0.175E-03
   -.139E+03 -.123E+03 0.142E+03   0.139E+03 0.123E+03 -.144E+03   -.179E+00 -.204E+01 -.724E+00   0.707E-04 -.206E-03 0.275E-03
   -.302E+03 0.124E+02 -.133E+03   0.302E+03 -.142E+02 0.132E+03   0.975E+00 -.774E-01 -.428E+01   0.439E-04 -.148E-03 0.178E-03
   -.297E+03 -.735E+02 -.175E+03   0.297E+03 0.755E+02 0.177E+03   -.562E-01 0.129E+00 0.293E+00   0.114E-03 -.158E-03 0.187E-03
   -.216E+03 -.425E+02 -.336E+02   0.216E+03 0.415E+02 0.340E+02   -.243E-01 -.102E+01 -.360E+00   0.853E-04 -.140E-03 0.229E-03
   -.107E+03 -.215E+03 0.532E+02   0.147E+03 0.376E+03 -.144E+03   -.135E+01 -.336E+01 0.227E+01   -.145E-03 -.185E-03 0.163E-03
   -.342E+01 -.882E+02 -.329E+02   -.108E+02 0.427E+02 0.136E+03   0.305E-01 0.129E+01 -.301E+01   0.875E-04 -.255E-03 0.776E-04
   -.189E+03 0.499E+02 -.542E+02   0.189E+03 -.489E+02 0.545E+02   0.417E-01 0.103E+01 -.953E+00   0.852E-04 -.115E-03 0.214E-03
   -.724E+02 0.693E+02 0.143E+03   0.723E+02 -.688E+02 -.144E+03   -.148E+00 0.306E+01 0.164E+01   0.410E-04 -.115E-03 0.310E-03
   0.219E+02 0.967E+02 0.755E+02   -.233E+02 -.960E+02 -.742E+02   -.813E+00 -.775E+00 0.232E+01   0.188E-06 -.828E-04 0.239E-03
   -.211E+03 0.892E+02 -.242E+03   0.211E+03 -.923E+02 0.244E+03   -.809E-01 -.216E+00 -.207E+00   0.115E-03 -.128E-03 0.137E-03
   -.167E+03 0.323E+02 -.306E+03   0.167E+03 -.290E+02 0.307E+03   0.540E+00 0.276E+01 -.125E+01   0.490E-04 -.150E-03 0.766E-04
   -.488E+02 0.107E+03 -.172E+03   0.484E+02 -.111E+03 0.171E+03   -.477E-01 -.375E+01 -.203E+01   -.525E-05 -.567E-04 0.123E-03
   -.400E+02 0.207E+03 0.922E+01   0.636E+02 -.290E+03 -.123E+03   -.121E+01 0.170E+01 0.310E+01   -.402E-04 0.293E-04 0.105E-04
   0.727E+02 0.777E+02 0.786E+02   -.773E+02 -.792E+02 -.598E+02   -.636E+00 0.131E+01 -.695E+00   -.112E-04 0.652E-04 0.254E-03
   0.964E+02 0.727E+02 0.105E+03   -.962E+02 -.701E+02 -.107E+03   -.120E+01 -.313E+01 0.191E+01   -.754E-04 0.102E-03 0.160E-03
   0.402E+02 0.176E+03 0.292E+03   -.416E+02 -.179E+03 -.292E+03   -.996E+00 -.797E+00 0.294E+01   -.695E-04 0.178E-03 0.179E-03
   -.130E+02 0.150E+03 0.245E+03   0.148E+02 -.147E+03 -.249E+03   -.167E+01 0.118E+01 0.205E+01   -.828E-04 0.178E-03 0.130E-03
   0.106E+03 0.974E+02 -.734E+02   -.106E+03 -.983E+02 0.734E+02   -.173E+00 0.297E+00 -.369E+01   -.687E-04 0.119E-03 0.788E-04
   0.713E+02 0.587E+02 0.385E+01   -.706E+02 -.601E+02 -.765E+01   -.385E+00 0.159E+01 0.242E+01   -.872E-04 0.120E-03 0.877E-04
   0.576E+02 0.623E+02 0.104E+03   -.590E+02 -.636E+02 -.103E+03   -.239E+00 -.395E+00 0.313E+01   -.949E-04 0.140E-03 0.838E-04
   -.994E+02 -.348E+02 0.416E+02   0.989E+02 0.359E+02 -.420E+02   0.181E+01 0.154E+01 -.163E+01   -.105E-03 0.107E-03 0.345E-04
   -.312E+03 -.436E+02 0.154E+03   0.313E+03 0.426E+02 -.153E+03   -.159E+01 -.156E+01 -.310E+01   -.588E-04 0.105E-03 -.480E-04
   -.362E+03 -.954E+02 0.204E+03   0.362E+03 0.962E+02 -.206E+03   0.113E+01 -.624E+00 0.294E+01   -.508E-04 0.394E-04 -.109E-03
   -.124E+03 -.152E+03 -.132E+03   0.124E+03 0.147E+03 0.136E+03   0.320E+00 -.164E+01 -.922E+00   -.141E-03 0.659E-04 0.492E-04
   -.172E+03 -.203E+03 -.189E+03   0.173E+03 0.207E+03 0.188E+03   0.685E+00 0.913E+00 -.334E+01   -.163E-03 0.398E-04 0.690E-04
   -.278E+03 -.996E+02 0.105E+02   0.278E+03 0.990E+02 -.855E+01   0.785E+00 0.369E+01 -.121E+01   -.104E-03 0.535E-05 -.243E-04
   -.180E+03 -.270E+02 0.181E+03   0.156E+03 0.433E+02 -.168E+03   0.598E+01 -.535E+01 -.794E+01   0.577E-04 0.247E-03 -.183E-03
   -.414E+02 0.498E+01 -.360E+02   0.479E+02 -.908E+01 0.226E+02   -.412E+01 0.731E+01 0.897E+01   -.127E-03 0.841E-04 0.258E-04
   -.514E+03 -.151E+03 0.787E+02   0.516E+03 0.160E+03 -.783E+02   -.606E+00 0.382E+01 0.279E+01   0.261E-03 -.435E-03 -.137E-03
   -.480E+03 -.139E+03 -.647E+02   0.481E+03 0.140E+03 0.625E+02   0.164E+01 0.156E+01 -.214E+01   0.339E-03 -.275E-03 -.173E-03
   -.415E+03 -.764E+02 -.110E+03   0.417E+03 0.746E+02 0.112E+03   -.101E+01 -.318E+01 -.648E+00   0.313E-03 -.862E-04 -.114E-03
   -.387E+03 -.620E+02 0.159E+03   0.387E+03 0.596E+02 -.159E+03   0.488E+00 -.302E+01 0.276E+01   0.222E-03 -.322E-03 -.848E-04
   -.335E+03 -.136E+03 0.127E+03   0.336E+03 0.138E+03 -.128E+03   -.994E-01 0.549E-01 -.280E+00   0.222E-03 -.182E-03 0.185E-04
   -.328E+03 -.893E+02 0.386E+02   0.329E+03 0.890E+02 -.395E+02   0.381E+00 -.867E+00 0.604E+00   0.261E-03 -.440E-04 -.593E-05
   -.517E+03 -.837E+02 -.245E+02   0.518E+03 0.874E+02 0.304E+02   0.189E+00 -.544E+01 0.113E+01   0.233E-03 -.815E-03 -.130E-03
   -.508E+03 -.511E+02 0.412E+02   0.522E+03 0.507E+02 -.110E+03   -.630E+00 -.439E+00 0.345E+01   0.329E-03 -.560E-03 -.296E-03
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   0.798E+03 0.482E+03 -.337E+03   -.834E+03 -.507E+03 0.347E+03   0.214E+02 0.174E+02 -.133E+02   0.269E-03 -.173E-03 0.201E-03
   -.704E+02 0.396E+03 0.250E+03   0.139E+03 -.470E+03 -.318E+03   -.487E+02 0.527E+02 0.411E+02   0.515E-03 -.343E-03 0.232E-03
   -.655E+03 -.359E+03 0.536E+03   0.694E+03 0.400E+03 -.561E+03   -.333E+02 -.398E+02 0.218E+02   0.495E-03 -.270E-04 0.621E-03
   0.113E+03 -.506E+03 -.836E+01   -.155E+03 0.551E+03 0.543E+02   0.276E+02 -.303E+02 -.439E+02   0.367E-03 -.102E-03 0.436E-03
   -.388E+03 0.177E+03 -.238E+02   0.419E+03 -.230E+03 0.120E+03   -.151E+02 0.306E+02 -.761E+02   0.508E-03 -.323E-03 0.480E-03
   0.726E+03 -.593E+02 0.964E+02   -.761E+03 0.888E+02 -.149E+03   0.348E+02 -.257E+02 0.457E+02   -.191E-02 0.288E-03 0.862E-03
   -.146E+03 0.249E+03 0.314E+03   0.172E+03 -.258E+03 -.321E+03   -.226E+02 0.129E+02 -.106E+02   -.586E-03 -.258E-03 0.101E-02
   0.990E+03 0.343E+03 0.873E+02   -.104E+04 -.375E+03 -.755E+02   0.491E+02 0.274E+02 -.780E+01   -.112E-02 0.584E-04 0.215E-03
   0.874E+03 -.158E+03 -.737E+03   -.883E+03 0.176E+03 0.787E+03   0.104E+02 -.178E+02 -.401E+02   -.148E-02 0.505E-03 0.265E-03
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   0.113E+03 0.477E+03 -.325E+03   -.948E+02 -.486E+03 0.455E+03   -.153E+02 0.317E+01 -.778E+02   -.790E-03 -.366E-02 -.126E-02
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   0.171E+03 -.541E+03 -.141E+03   -.200E+03 0.571E+03 0.173E+03   0.261E+02 -.297E+02 -.300E+02   -.446E-03 0.814E-05 0.518E-03
   -.442E+03 -.737E+02 -.562E+02   0.495E+03 0.518E+02 0.109E+03   -.466E+02 0.177E+02 -.476E+02   -.167E-03 -.138E-03 0.555E-03
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   0.173E+03 0.394E+03 0.302E+03   -.202E+03 -.425E+03 -.283E+03   0.289E+02 0.306E+02 -.201E+02   -.336E-03 0.317E-03 0.209E-03
 -----------------------------------------------------------------------------------------------
   -.458E+02 0.233E+02 0.196E+03   -.617E-11 -.153E-11 0.102E-11   0.458E+02 -.233E+02 -.196E+03   0.227E-01 0.137E-02 0.157E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.62630      3.03296      1.37176         0.360783      5.463443      1.241840
     12.40790      3.56787      2.80029         1.940299      0.105884     -4.326950
     12.47572      5.03448      2.98909         0.101132     -2.053913      1.788874
     12.80647      4.14576      0.32091        -0.274979     -5.294066      2.475757
     12.84685      5.43047      0.68361         0.486574      3.332856     -1.313914
     12.68842      5.99837      1.99183         0.303849     -2.230759     -0.940349
     12.61380      1.54156      1.14165       -11.190404     47.535917     66.606695
     12.15482      2.35599      3.79313        15.299010     -1.915409    -69.745345
     12.81710      7.41826      2.18609         0.241777      2.408102      1.169603
     12.69665      8.04962      3.45247         0.206436      1.089679      2.039567
     12.89963      9.46882      3.73970         1.820865      0.819279     -4.311438
     13.13258      8.34027      1.14672        -0.042726     -3.812356     -2.749203
     13.32584      9.64990      1.22047         0.415393      4.965710      3.531500
     13.27247     10.34623      2.55537        -1.251180     -3.413733      0.156721
     13.40582     11.89470      2.81805       -33.156627    -83.343363     52.756241
     12.86383     10.26001      5.09465        13.212259     19.622666    -59.355738
     13.37182     12.81625      5.30718         0.938243      2.236277      3.206860
     13.03803     12.80444      6.77839         1.386573     -4.506074     -6.803971
     13.20489     13.85620      7.46842         0.604150      5.365061      3.619614
     13.71566     14.21869      4.86513         0.763628     -2.818336      0.507314
     13.80001     15.34110      5.66241        -0.482639     -2.650169      3.574493
     13.49807     15.23917      7.15997         1.075193     -4.755421     -6.983850
     13.61304     16.25758      8.00082         0.627273      4.949025      6.166174
     13.17406     16.16797      9.41586         1.359069      2.147995     -0.866473
     13.34765     17.26891     10.31260         0.273407     -0.710276     -1.874511
     14.16976     17.59857      7.73637        -0.795688     -3.850293     -1.786284
     14.29141     18.62199      8.56097         1.125752      2.333758      0.430110
     13.91523     18.46852      9.84853        -0.652868      0.234469      3.551575
     12.55038     14.97654      9.95396         2.413983     -0.702347     -4.690853
     14.17157     16.60054      5.04521         8.043655    -18.549568     20.669425
      9.73345      3.72470      4.78349        -0.196251      3.944412      1.559925
      9.98257      4.73629      3.73186        -0.894340      0.555630      3.869201
     10.06982      6.17319      4.19871        -0.365719     -2.701457     -2.452503
      9.54934      4.23909      6.22820         1.064865     -1.946937     -5.994470
      9.67493      5.54561      6.46103        -0.141458      2.087197      2.768500
      9.96216      6.58110      5.51912        -0.408751     -1.922272      0.002291
      9.63485      2.21385      4.41727        38.493884    156.860214    -89.000918
     10.19158      4.14901      2.26869       -14.186995    -44.173513     99.901350
     10.11042      7.94845      5.92569         0.107262      1.954150     -0.611532
     10.43060      8.90507      4.94039        -0.255816      3.647215      0.392008
     10.57328     10.33902      5.21965        -2.278636     -0.119302      3.598077
      9.92195      8.44190      7.22701        -0.767959     -3.359413      1.259499
     10.02712      9.71668      7.62667         0.951335      6.073575     -0.896990
     10.35004     10.85600      6.68940        -0.407290     -7.286604     -3.155513
     10.50382     12.31281      6.91612        22.334846    -81.061463   -110.223517
     11.05056     11.54264      4.32256        -5.260294     -0.187569     18.129684
     11.16623     14.04330      4.96048        -1.053277     -0.502394      0.441351
     11.61794     14.43817      3.63836        -2.448254     -3.912688      2.806212
     11.88866     15.69797      3.40550         0.076890      3.646478     -1.337606
     11.06838     15.12453      5.94677        -0.228716     -0.630136     -3.619136
     11.24479     16.46745      5.56295         0.328108      0.146481     -1.370630
     11.65674     16.84473      4.16885        -1.665981     -1.751918      3.939225
     11.95247     18.19672      3.83646         1.307549      2.592869     -2.047979
     12.48931     18.64071      2.60008        -0.642404     -2.560080     -2.195693
     12.45178     19.96992      2.14899         1.171729      0.179408      1.189009
     11.83934     19.35829      4.66711        -0.564726     -6.292755      3.005062
     11.93854     20.60981      4.45016         1.490022      5.392846     -4.067280
     12.24373     21.00576      3.07981         0.821495      3.075848      0.728620
     12.82752     17.49437      1.35103       -17.912754     11.023515      4.526179
     10.99619     17.47333      6.65559         2.426704      3.210178     -4.428167
      9.86128      6.95471     14.50720         1.669879     12.598295      3.263264
      9.63631      7.54765     15.97089         2.926172      2.439572     -4.382915
      9.82342      9.11051     16.16960         0.113609     -5.016805      0.939866
     10.03073      8.19370     13.45978         0.476859     -5.433183      2.279283
     10.13776      9.47489     13.83992         0.529028      2.060504     -1.354948
     10.01441     10.02808     15.16362         0.514640     -1.138561     -0.234902
      9.66360      5.68847     14.44874         1.585733     -1.769053      7.108202
      9.41122      6.42441     16.97120        13.366603     -0.879766    -65.251315
     10.14067     11.44208     15.45954         0.665611      1.969902     -0.582051
     10.05495     12.00605     16.72751         0.250610      1.389458      3.195658
     10.19663     13.43939     17.08902         1.445484      0.319104     -4.136977
     10.43395     12.41288     14.43216        -0.000470     -3.479847     -2.539743
     10.59674     13.72296     14.55960        -0.079767      4.068533      4.215402
     10.47286     14.35854     15.93508        -0.482977     -3.093918     -0.234164
     10.49474     15.92383     16.19519       -30.323507    -92.399559     60.324100
     10.06382     14.18223     18.51307        20.973685     37.437732   -102.590369
     10.32274     16.86824     18.75847         0.787181     -0.027709     -1.096010
     10.08376     16.84619     20.16891         0.661108     -4.491941     -4.563046
     10.02091     17.94474     20.83168         0.005828      5.012501      3.161688
     10.49669     18.26639     18.24316         0.725447     -1.715119      1.052951
     10.46155     19.43520     19.02742         0.262586     -3.073961      2.364217
     10.22699     19.35461     20.52256         0.505902     -7.176984     -8.801982
     10.25001     20.37132      0.04362         0.005994      7.425840      8.356500
      9.91323     20.27625      1.51208        -2.148738      7.698314     -1.423716
      9.85336      0.10771      2.38204        -0.165632      2.930276     -4.623634
     10.59786      0.50145     21.04662        -1.431224     -1.338105     -1.922086
     10.39035      1.65007      0.51866        -1.283640     -0.616926      1.456747
     10.04635      1.53535      1.86385        -0.916975     -0.846102      2.740417
      9.60956     19.08480      2.17078       -63.181971     61.090404      6.169156
     10.69171     20.69579     18.39371         5.770286     -6.285412      0.644811
      7.19943      7.50374     17.51826        -1.266963      3.665319      1.734666
      7.42640      8.52382     16.50103        -0.640374     -1.654328      2.472406
      7.55005      9.92232     16.93966        -0.199796     -0.542245     -3.348603
      7.05529      8.03764     18.96000         0.425494     -6.397490     -4.723976
      7.11137      9.30403     19.17141        -0.142198      5.890731      3.302899
      7.37588     10.37758     18.22015        -0.785182     -1.613244      1.044606
      7.07098      5.98150     17.08002        17.305782     94.552629    -53.461378
      7.67711      7.82274     15.06827        -4.841104    -10.316749     24.249689
      7.37696     11.78086     18.64593         0.288129      1.367472     -1.411727
      7.67255     12.84128     17.74426        -0.007973      2.428327     -1.259907
      7.71357     14.27060     18.05866        -2.717446     -0.963750      4.571757
      7.06051     12.21162     19.91633        -0.929429     -2.407603      2.914976
      6.99963     13.48413     20.40300         1.423031      4.924321     -2.782686
      7.32649     14.66885     19.50628        -0.048091     -5.529362     -1.945401
      7.33618     16.15911     19.86378        25.474388    -57.308936    -94.595843
      8.09457     15.52617     17.28042       -10.078772     -2.105816     29.651375
      7.97233     18.06200     18.10305        -0.251090     -1.775711     -1.938947
      8.58662     18.51374     16.81919        -3.407771     -9.401605      4.081159
      8.76642     19.73468     16.62056         1.509790      8.836076      1.995339
      7.66812     19.10542     19.01061        -0.493080     -1.493935     -0.877709
      7.80744     20.44048     18.67152        -0.079827      2.433892     -0.943542
      8.28477     20.92180     17.39119        -0.749327     -2.186416      1.479767
      8.63982      1.02962     17.03665        -0.531746      2.132880      0.230673
      8.97936      1.40688     15.73526         0.322401      1.135474     -0.722688
      9.19696      2.77064     15.34690        -0.040941      1.142531      2.910078
      8.67763      2.26581     17.94125        -2.283540    -13.463759      3.536060
      8.82694      3.43986     17.68457         2.422011     11.789339     -3.782625
      9.14036      3.89431     16.32951         1.466359     -1.338968     -2.675023
      9.15178      0.45443     14.66162         0.074762      3.038009     -3.302940
      7.36453      0.21526     19.73112         5.080978      2.505623     -4.730913
      7.04138     10.73560      6.08753         0.142932      5.033814      1.668229
      6.82902     11.29324      7.51344         0.882623      0.301700     -4.779694
      6.97546     12.71374      7.68612        -0.361977     -1.311122      1.031480
      7.40716     11.77046      5.05072        -1.358361     -4.867439      2.474288
      7.51443     13.07159      5.39592         0.807194      2.784367     -2.008698
      7.30928     13.65512      6.65279        -0.419328     -1.862074      0.878158
      6.88914      9.18798      5.89595       -20.626892     90.888067    127.373386
      6.48070     10.12881      8.54414        17.040876     -7.055090   -100.574360
      7.41981     15.08393      6.88526        -0.041147      1.953559      0.816532
      7.12739     15.72318      8.12681        -0.350208      1.055661      1.673579
      7.20518     17.14874      8.40154         1.645670      0.666059     -5.132981
      7.80970     15.98547      5.86118         0.130780     -3.229597     -2.323989
      7.91548     17.31036      5.93742        -0.817320      4.772467      3.336474
      7.66402     18.04583      7.23891        -1.200112     -4.727029      0.122071
      7.82141     19.58677      7.53293       -38.713416   -101.354879     73.760388
      6.94572     17.97988      9.70956        36.944792     38.730369   -111.731359
      7.31306     20.61593      9.95524         0.984677     -0.178092     -0.401643
      6.86382     20.64919     11.34245         1.599625     -9.883569     -7.248429
      6.78723      0.45754     11.94146        -1.377954      7.525613      8.951036
      7.71962      0.69183      9.54384         0.013744     -2.064714     -0.087706
      7.70258      1.83699     10.35270        -0.390293     -1.774956      2.668810
      7.23796      1.81064     11.77623         1.231586     -5.289643     -7.476173
      7.27850      2.81757     12.63511        -0.290900      4.222033      6.541442
      6.85362      2.75154     14.07087         3.914949      8.951732     -0.790932
      6.91734      3.88662     14.94668        -0.342246      1.157746     -1.773715
      7.71047      4.11666     12.35381         0.659003      2.694433      0.995299
      7.82208      5.34337     13.19846        -3.416912     -4.382879      1.852197
      7.25850      5.22162     14.57586         0.090498      1.200601     -1.755551
      6.36414      1.60174     14.61697        -7.283426    107.389678     67.370467
      8.20300      3.04375      9.78504        -1.018099     -0.182355     11.136777
      4.03537     11.40831     10.78503        -0.056420      4.071439     -0.646906
      3.72015     12.39854      9.64616         1.229261     -0.663332      4.154623
      3.83167     13.80409      9.97535        -0.433103     -1.014519     -1.444042
      4.37776     12.02589     12.09419        -0.769372     -4.209616     -3.131932
      4.41863     13.35896     12.24734         0.564426      3.077745      2.355163
      4.17842     14.34799     11.25608        -0.292642     -2.270829     -0.754655
      3.96426      9.86271     10.40009       -16.528909     93.097325    -61.695695
      3.30606     11.66899      8.25915        31.575483    -47.960509    110.684395
      4.27896     15.77068     11.51495        -0.126559      1.643032     -1.140029
      4.15871     16.70634     10.45087         0.004897      3.130455     -0.360229
      4.31009     18.18521     10.59856        -0.575859     -2.329685      4.902586
      4.53047     16.32779     12.78044         0.434746     -2.667008      1.421916
      4.69974     17.63028     13.06717         0.232938      5.092563     -2.803535
      4.55128     18.71642     12.02450        -0.782198    -11.748650     -6.542458
      4.70005     20.13391     12.12995       -19.219759   -180.104491   -390.346137
      4.32977     19.30696      9.48687         9.386984      8.369719    122.315475
      4.73278      0.63624     10.08404        -0.816233     -0.717288      0.323270
      5.00279      1.01286      8.71604        -1.827108     -5.405610      3.053630
      5.27643      2.25312      8.43011         0.336553      2.578937     -3.367774
      4.73775      1.77260     11.00946        -0.492795     -0.808231     -1.777983
      4.95876      3.11849     10.62360        -0.997290     -1.187044     -2.680718
      5.26115      3.36459      9.18548         1.269672      2.860536      3.943042
      5.84448      4.75588      8.66542        -1.468869      0.395348      6.750388
      6.16172      5.08365      7.47503         1.454794      0.305048     -6.115952
      6.40170      6.44364      7.05855         0.567791      0.057081     -0.014584
      5.85309      6.08547      9.60984        -3.856355    -23.021424      6.114738
      5.93412      7.17373      9.30762         3.248847     20.335147     -7.661297
      6.28379      7.52316      7.88439         0.610898      2.549617      0.762249
      6.25710      3.98434      6.34276        -5.141923     -1.449899      7.686925
      4.78659      4.08844     11.68808         2.696323      3.776226     -5.679839
      1.48633     14.21720      0.55591        -0.780740      7.381060      3.546509
      1.96178     14.74721      1.96084        -2.559742     -0.598820     -5.077657
      1.77302     16.15525      2.15964         0.931173     -0.330276      3.703338
      0.82415     15.42757     20.89878         0.901689    -11.250563      0.840969
      0.89902     16.61956     21.24861        -0.833949      7.712117      1.412394
      1.27727     17.16290      1.30302        -0.603521     -1.678926     -1.859836
      1.62736     12.83928      0.33113         6.224587      6.621352     11.923553
      2.58920     13.51471      2.77714       -54.269553     12.968642   -117.920907
      1.09114     18.59706      1.46995         0.438926      1.278132      2.332929
      1.43303     19.28516      2.68360         0.099669      1.304849      1.377133
      1.35491     20.73054      2.89143        -1.621371     -0.588095     -3.273471
      0.58023     19.46909      0.47883        -1.026849     -2.608043     -3.241598
      0.39781     20.79248      0.47748         1.528392      3.712611      5.589823
      0.82151      0.31582      1.78920        -0.900440     -4.725691     -1.716536
      0.77759      1.86015      1.92617        33.961722    -90.950941     71.929161
      1.78017      0.34053      4.16099       -47.561211     31.606956   -113.057863
      1.56622      2.98155      4.13198         0.396917     -1.569947      0.734888
      2.14638      2.93941      5.49387        -2.454186      0.186222     -5.481719
      2.28618      4.12739      6.06885         0.948855      0.512032      1.449781
      1.22265      4.28784      3.62696         0.562263     -0.956256      1.972235
      1.49121      5.48271      4.33339        -0.026712     -2.798989      2.052186
      2.14493      5.46819      5.68276        -3.382970     -3.938280     -5.629856
      2.40392      6.51492      6.46245         1.271659      7.870242      3.816776
      3.06082      6.47354      7.70039        -2.885067      6.982688     -2.916709
      3.37519      7.65947      8.49611        -1.733812      1.176024     -3.042389
      2.21738      8.05180      6.12072        -3.550343    -10.704181     -7.653421
      2.62139      9.07158      6.65775         3.265449      8.384349      6.326145
      3.17258      9.00824      8.00416         0.761286     -0.552499      1.981565
      3.30479      5.26984      8.31646       -41.951683     18.384595   -108.848001
      0.94667      6.67607      3.74492        -1.661036     -5.034054      7.698372
      4.60523     13.94223      0.74342         0.141412      4.676213      1.030180
      3.78772     15.00136     -0.02953         2.960317     -2.871793      2.454936
      3.89844     16.35526      0.43678        -1.733559      1.056206     -2.780769
      5.45846     14.55684      1.87119        -2.050401     -6.610650     -3.673848
      5.42251     15.82951      2.14143         1.594142      5.260293      3.275662
      4.66636     16.86959      1.49711         0.432235     -0.742147     -0.138958
      4.55593     12.44401      0.26216       -40.125618     77.764658    -29.551510
      2.94866     14.25553     20.10817        30.433525    -14.456743     36.634316
      4.75873     18.32448      1.92393         0.157012      0.841628      0.274723
      4.07688     19.42502      1.33814        -1.883692      0.575732     -2.522453
      4.10131     20.80289      1.69865         3.570028      0.138545      3.735407
      5.58960     18.75859      3.00070         1.242454     -4.378021      0.586848
      5.77528     19.99361      3.48119        -1.712748      5.801480     -0.648716
      5.03409     21.17654      2.87843        -0.940808     -4.368815     -1.961995
      5.13778      1.44393      3.31495       -84.445887    -67.350786   -103.116669
      3.37494      0.88168      1.12240        76.123986    -12.543886     88.833199
      3.71605      3.43714      2.15509         0.454968     -1.797279     -0.881291
      2.86749      4.05038      1.13779         2.617676     -7.022369      1.675722
      2.68432      5.32773      1.17619        -4.927695     -2.502634     -0.477572
      4.20981      4.36942      3.12007         0.619101     -1.641102     -0.171638
      4.00554      5.73502      3.07756        -1.353082      0.916356     -3.768727
      3.26486      6.33565      1.86843         4.587970      0.611331     11.192865
      3.18687      7.88420      1.68606         0.657856      4.381168      5.141053
      2.34804      8.48381      0.76177         1.112815      5.796787      3.882599
      2.15325      9.91219      0.73189        -1.078038     -0.347863     -0.613648
      3.66353      9.11010      2.73101         6.840816    -29.343318      0.017748
      3.35210     10.16756      2.79721        -7.215582     27.276333     -0.309738
      2.57433     10.82736      1.65863        -0.299460      1.848506      1.089605
      1.79238      7.59459     21.12999        -0.695842      0.664169      2.676332
      4.64698      6.57073      4.11793        -6.232600      5.062178    -18.656186
     18.33605     17.22021     13.24363         1.077478      4.050966      0.809363
     19.52353     17.75576     14.04259        -4.481540      1.833971     -1.694469
     19.60806     19.25173     14.14923        -0.449837     -2.526778      1.107777
     17.42015     18.26783     12.66297         1.159377     -5.732559      0.666559
     17.63309     19.56422     12.85767        -1.680463      3.914017     -0.819925
     18.66425     20.17063     13.60385         1.246600     -3.269241      0.585381
     18.24206     15.65555     13.14132        78.986786     76.129677     43.243610
     20.41430     16.66409     14.49229       -14.966330     -1.373812     -7.665555
     18.79212      0.30743     13.84378         0.145726      2.561836      0.439372
     19.85806      0.88042     14.57332         1.804665      2.525512      1.723075
     20.01714      2.31571     14.94472        -6.926164      0.052627     -3.525348
     17.80105      1.22174     13.41088        -1.442326     -1.206106     -1.149292
     17.75356      2.55738     13.67204         3.318552      3.016219      2.528315
     18.84798      3.23028     14.47144         0.765780     -5.234407     -1.073067
     18.91890      4.71231     14.84774        82.661126   -111.863891     22.412823
     20.92578      3.09555     15.77687       -25.879839     10.236410    -11.488069
     20.82775      5.65860     16.37658         3.699560     -2.005354      2.515785
      1.04477      5.64950     16.99784        -4.859215     -3.602592     -1.838387
      1.55009      6.76831     17.41089       -12.071980      3.688380     -2.301050
     20.36385      6.95058     16.39216        -1.558123      1.145753      0.863797
     20.91168      8.15556     17.09435         3.579495     -6.454020     -0.473110
      0.99919      8.07356     17.61020        -4.138190     -1.563331     -1.961625
      1.57690      9.24949     18.09816        10.397324     -9.911086      0.833899
      3.10259      9.13785     18.97247        -5.130306     -3.373617     -4.044765
      3.48354     10.15735     19.63416         2.986227      5.175956      3.180541
      1.03726     10.18238     18.57978        -6.871807     17.401124      2.188142
      1.69163     11.74398     18.99187         5.158365     -7.430271      2.498654
      3.09037     11.52127     19.61238        -4.491891      4.137956     -1.419847
      3.79456      7.91102     18.92966        -6.533050      7.527022     11.464030
     20.07609      9.24406     17.12233        52.997289      1.581233     18.322643
      2.08736     18.03497     14.07458        -1.448936      3.708913      1.066752
      1.15685     19.06635     13.47177         4.447582     -0.080826      2.746938
      1.43352     20.48898     13.86295        -0.767342     -2.602655     -1.328124
      3.16567     18.56761     14.96980        -3.091816     -5.151843     -1.872579
      3.35233     19.86159     15.12908         2.217230      4.294108      2.158198
      2.51562     20.93260     14.66826        -1.082765     -3.086297     -1.056290
      1.67597     16.53203     13.87648       -38.850508     75.456704     -9.806199
      0.08562     18.50582     12.49053        62.955319    -40.958807     43.841308
      2.68726      1.06855     14.92316         1.420081      0.512962      1.551524
      1.84799      1.95518     14.42104        -2.447240      6.910789     -1.401856
      1.91786      3.58624     14.72736         4.908842     -3.735602      0.497195
      3.71841      1.60155     15.77061         1.047716     -3.993496      0.747617
      3.98368      2.85571     16.07163        -2.516228      6.300178      0.269785
      3.07023      4.00816     15.58431        -2.692171     -8.640203     -3.209918
      3.22270      5.37159     15.83628      -178.677236   -169.526400   -146.534797
      0.99776      4.67174     14.24903        32.566218      0.748673     20.234924
      1.32145      7.23522     14.87251         1.790508     -1.572968     -0.061247
      0.08099      7.56404     14.32650         1.496958     -1.243578     -0.477562
     20.92919      8.86505     14.30613         0.348983      0.158378     -0.508096
      1.99098      8.32202     15.61663        -1.383576     -0.263466     -3.367695
      1.59027      9.69179     15.49685        -3.040152     -4.506769     -3.948441
      0.32934      9.98396     14.69288         3.542440      0.967417      2.460056
     21.03499     11.34235     14.66144        -1.134272      1.258706      0.131183
     19.74179     11.62362     14.20006        -1.594709     -0.344594     -2.106402
     19.28836     12.94507     13.88428         1.904916      0.646581      2.280176
      0.42451     12.54090     15.12891         0.756209     -3.344394     -1.508886
      0.06224     13.78155     14.99138        -3.635139      3.387536     -1.060321
     20.08525     14.08048     14.30671        -1.290356      1.221538      0.528413
     18.69944     10.47506     13.62606        20.991324     31.128428    -22.046566
      2.43085     10.56908     16.06727        -2.513575      6.464790     -1.353370
     16.21394      0.32509      5.06760        -0.305494      5.071080      1.856063
     17.17668      0.89900      6.11299        -3.889459      0.873925     -3.207753
     17.12508      2.35182      6.34636         0.319719     -2.537102      0.335469
     15.25062      1.33132      4.46725         3.038481     -4.581223      1.587379
     15.35084      2.64318      4.79806        -2.465114      2.125827     -1.713589
     16.23594      3.25245      5.66843         1.165653     -1.685383      1.062318
     16.32264     20.06782      4.77268        53.679164     64.238203     69.838998
     18.06661     21.04320      6.68487       -26.050089     -1.536192    -27.403322
     16.25955      4.67437      5.92227         0.751609      2.258773      1.138772
     17.17007      5.28593      6.85300         0.406115      1.473142      0.807514
     17.23628      6.70867      7.16614        -3.897473      0.350745     -3.546522
     15.39046      5.59882      5.29041        -1.508811     -3.696499     -2.042306
     15.32314      6.91247      5.46630         2.025591      5.435021      2.823168
     16.23838      7.63289      6.43423         0.801918     -4.876903     -0.276302
     16.31199      9.16808      6.78127        69.574092   -106.661789     42.260363
     18.12572      7.48222      8.20837       -90.989505     48.894249    -97.792283
     18.04119     10.11439      8.58406        -1.306910     -0.170919     -0.638519
     19.08038     10.04609      9.54358        -2.850913     -3.644815     -2.099616
     19.54578     11.12720     10.12007         1.766997      3.045213      2.616342
     17.56763     11.49535      8.36984         0.311569     -2.355108      0.377814
     18.05573     12.59816      9.04515         1.250939     -0.860850      2.019982
     19.17051     12.50244     10.07412        -5.520014     -5.525486     -5.691226
     19.68590     13.52119     10.72741         4.038685      5.170993      5.391008
     20.87163     13.40277     11.61492         0.360678      9.760826      0.187621
      0.26392     14.49481     12.23090        -3.060479      2.127987     -3.411974
     19.23592     14.85576     10.78496        -0.002602      2.031924     -0.667462
     19.83960     16.05790     11.41103        -1.636482     -2.810406     -2.597348
     21.03368     15.88738     12.01152         3.062006      0.543191      2.216467
      0.26595     12.20880     11.94333        29.613396     49.199391     -4.247520
     17.44795     13.90114      8.72125         0.386147     -3.634857      6.168162
     20.13429      1.18486      6.20545         0.949190      2.711091      0.584558
     19.55017      2.25160      5.40584         2.961264      2.107007      3.923111
     19.79415      3.67745      5.96060        -1.055818     -3.586358     -2.648205
     20.84101      1.55856      7.52490        -2.142786     -7.453587     -4.994679
     20.92659      2.77447      7.86509         1.600922      6.781464      3.729773
     20.45070      3.94266      7.13254         0.302613     -2.159795      0.192287
     19.85401     20.96692      5.61849       -25.152380     76.326016    -21.742152
     18.75389      1.85296      4.08055        70.417815    -76.852915     95.839375
     20.67007      5.28226      7.57300        -0.818752      3.479527     -1.005130
     20.22465      6.35392      6.70826         0.795081      2.615847      0.768077
     20.40258      7.79556      7.00237         2.063704     -3.231859      3.478028
     -0.00390      5.71466      8.77156         0.502209     -4.133906      1.409381
      0.25881      6.96167      9.17020        -0.746084      6.077086     -1.123732
     21.08540      8.14427      8.33171        -4.038036    -11.144813     -6.608775
     21.16329      9.59701      8.55702      -340.143218   -157.070873   -455.645899
     19.89042      9.02776      6.17533        50.374483     -4.570060     94.164194
     20.20424     11.53361      6.97142         0.302764     -0.942770     -0.363745
     19.39494     11.97480      5.84840         2.358191     -3.085699      2.801365
     19.12672     13.27017      5.72168        -0.563326      2.257468     -1.155400
     20.73677     12.64209      7.78675        -0.067964     -2.552703     -1.306215
     20.51155     13.96373      7.53081        -1.519487      1.195225     -2.682911
     19.56933     14.40258      6.39821         3.435079     -2.687446      3.316596
     19.14612     15.72985      6.23142        -2.093957      3.346304     -2.073154
     18.23427     16.09728      5.16708         0.421158      1.720640      0.647524
     17.74098     17.44672      5.02783         1.685939      0.208110      1.753447
     19.43621     16.89959      7.06426         2.487831     -6.829363      0.177337
     19.03928     18.09838      7.01336        -4.382611      6.733102     -2.783782
     18.07831     18.50620      5.94250        -0.150649     -0.364463      0.168417
     17.76759     15.15883      4.11008         3.974818     -2.755925      5.302506
     21.19204     14.97014      8.35437        -3.555666      2.716072     -3.356443
     12.20465      5.33217      4.02885         0.792678     -0.002110     -0.680824
     12.90291      3.73166     20.58214         0.134547      0.525580     -0.481587
     13.02578      6.17126     21.09076        -0.273979     -0.974583      0.990253
     12.39587      7.45962      4.36692         0.497315      0.282639     -0.983662
     13.25789      7.87288      0.10409        -0.205173      0.785028      1.325272
     13.55399     10.34794      0.40562        -0.048713     -0.630472     -0.312452
     12.99608     13.68621      8.48026         0.221292     -0.499689      0.312689
     12.69361     11.84018      7.13079         0.376485     -0.010542      0.696739
     13.87459     14.28442      3.80336         0.573019      0.413410     -0.170207
     13.03505     17.13677     11.33060        -0.148398      0.124700      0.598692
     14.38434     17.77163      6.72216         0.587067      0.602302      0.728255
     14.69700     19.59255      8.18851        -0.239640     -0.626175      0.248451
     10.24361      6.85377      3.34881        -0.106868      0.042142      0.520201
      9.33588      3.45709      6.87684        -0.218784     -0.768414      1.545441
      9.51067      5.85199      7.54585         0.284311     -0.229831     -1.217363
     10.70967      8.66498      3.92718        -0.564502     -0.313959     -0.208923
      9.60926      7.68202      8.01762         0.450356      0.948799     -0.848430
      9.88429     10.11127      8.64933        -0.121459     -0.863692     -0.066438
     12.28533     15.87571      2.44591        -0.046513     -0.568053      0.048512
     11.79898     13.64029      2.91923        -0.240739      0.525041     -0.107458
     10.85570     14.86210      6.92423        -0.604216     -0.089253      1.854208
     12.56344     20.20597      1.10746         0.433573     -0.129769     -0.335123
     11.67321     19.12334      5.70149         0.376117      0.602554     -0.444718
     11.81110      0.12441      5.18586         0.035378      0.031409      0.571080
      9.63430      9.34413     17.21785         0.639953      0.393635     -0.136823
     10.09172      7.75491     12.47394         0.142813      0.663533     -0.646983
     10.30570     10.21370     12.98994        -0.245803     -0.879207      0.925696
      9.78817     11.37997     17.63653         0.518612      0.396307     -1.123329
     10.56224     12.00471     13.36818        -0.185952      0.509385      1.342773
     10.83577     14.45468     13.79782        -0.006752     -0.299194     -0.680451
      9.84020     17.79437      0.58912        -0.182613     -0.950299     -0.298953
      9.96172     15.84344     20.61750         0.038003      0.711269      0.259952
     10.61696     18.35141     17.17660         0.747451      0.298921      0.017736
      9.75281      0.00263      3.40838        -0.616564     -0.669716      1.542568
     10.76123      0.71097     19.99631         0.865309      0.452229      1.857835
     10.62427      2.61883      0.12794        -0.156788      0.355348     -0.667228
      7.86548     10.60907     16.09290        -0.801359     -0.509610      1.075344
      6.89948      7.21184     19.65964         0.011817      0.592168      0.472843
      6.89903      9.64857     20.25137         0.478408     -0.496062     -1.396029
      8.00559     12.64363     16.70339        -0.822034     -0.148568      0.633272
      6.74860     11.42570     20.69946         0.771554      0.936414     -1.276770
      6.73290     13.82934      0.12688         0.030502     -0.669135      0.474498
      9.38026     20.01435     15.74412         5.078916     -1.107855      3.570145
      8.95453     17.74106     16.14176        -0.316769      0.428440      0.041851
      7.26655     18.84199     19.95447        -0.411072     -0.027013      1.012359
      9.39270      3.02893     14.34131         0.459970      0.005977     -0.949640
      8.48153      1.97323     19.01261         0.770630      0.962156     -1.436068
      8.78540      4.24547     18.42471         0.127356     -0.517463      0.315601
      6.81063     13.04803      8.73562         0.113402      0.096077     -0.612299
      7.54746     11.32133      4.06763         0.206176      0.601206     -0.320463
      7.82285     13.76824      4.54217        -0.431990     -0.840611      1.040309
      6.80869     15.12591      9.01599         0.166180      0.141621     -0.670499
      8.06367     15.51934      4.84465        -0.318714      0.688599      1.282125
      8.21601     17.99542      5.13957        -0.091744     -0.668136     -0.295995
      6.30112      0.33659     12.99522         1.073894     -1.127036     -5.565770
      6.42940     19.61969     11.68132         1.511664      1.706191     -0.130794
      8.08759      0.77286      8.52359         0.021853      0.373381     -0.038521
      6.67558      3.74888     15.98053        -0.362380     -0.514724      0.291897
      7.96952      4.38908     11.34967         0.199429      0.131715      1.553282
      8.00493      6.29150     12.77297         0.055114      0.884237     -0.753438
      3.59821     14.47970      9.11955         0.138051     -0.229327      0.618661
      4.57397     11.27121     12.87301         0.039977      0.663439      0.185820
      4.67067     13.75066     13.29904        -0.277507     -0.630236     -1.377551
      3.98797     16.42056      9.40880        -0.012399     -0.415425      0.152151
      4.59584     15.61613     13.66177         0.097817      0.714257     -0.963117
      4.87926     18.07417     14.03377         0.645781     -0.736858      0.148977
      5.49763      2.40082      7.39025        -0.569484     -0.492516      0.506759
      4.95209      0.19518      7.97556         0.205430      0.606869     -0.007954
      4.56350      1.55933     12.03664        -0.500498      0.074223      0.783793
      6.67280      6.60057      6.03885         0.386230     -0.040473     -0.415711
      5.43272      5.80419     10.62594         1.031466      1.236127     -2.273249
      5.81109      8.02227      9.98968         0.100348     -0.338957     -0.010797
      2.10745     16.47741      3.21969        -0.491802     -0.187683     -1.419373
      0.54330     14.93108     19.97347        -0.683694      0.981655     -0.116007
      0.54210     17.33883     20.46131         0.261241     -0.419923      0.764563
      1.81770     18.73537      3.58402        -0.260053      0.141833     -0.852796
      0.24435     19.00271     20.74715         0.452693      0.385930      1.223687
      0.02936      0.21146     21.00248        -0.425703     -0.126960     -1.125130
      2.67534      3.96089      7.01541        -0.693519     -0.645745      0.009320
      2.35638      1.99022      5.89862         0.393665     -0.624656      1.071013
      0.80536      4.31970      2.65651        -0.658023      0.450674     -0.766952
      3.78738      7.53157      9.44519         0.248046     -0.388841      1.348610
      1.86775      8.12990      5.03352         0.900894      0.708687      2.813678
      2.50556     10.08076      6.23633        -0.074735     -0.360472     -0.261090
      3.19354     17.06704     21.11996         1.428185     -0.817960      0.741910
      6.07303     13.75591      2.34854        -0.158569      1.003841      0.238132
      6.09849     16.17482      3.02752        -1.018116     -0.544173     -1.423430
      3.35976     19.23131      0.44864         1.189088      0.038413      1.211833
      6.20763     17.94191      3.54224        -0.932930      1.154781     -0.820435
      6.42447     20.32572      4.30770         0.054517     -0.838211     -0.138388
      2.01684      5.68141      0.36816        -1.718837     -4.482246      1.952443
      2.38359      3.34874      0.42065         0.169145      1.028020      0.298270
      4.80597      3.96441      3.93663        -0.220969      0.184821     -0.053013
      1.64887     10.27891     21.10567        -0.425996     -0.078247      0.239542
      4.08894      8.55220      3.63864        -0.573275      2.207174     -1.965913
      3.72967     10.90372      3.57633        -0.578063     -0.772758     -0.369534
     20.52883     19.58641     14.64892        -0.587915      0.080881      0.149537
     16.58460     17.80291     12.09887         0.208573      0.833347      0.060233
     16.88782     20.28882     12.37409         0.821756     -1.061586      0.544665
     20.70696      0.27984     14.95097        -0.639533     -0.051155     -0.118742
     16.94849      0.82020     12.79195         0.761189      0.345142      0.636238
     16.98817      3.25138     13.37013        -0.700577     -0.143625     -0.487072
      2.69907      6.66148     17.55130         5.730298      1.577939    -46.553879
      1.55681      4.66299     16.89147        -0.284304      0.450214      0.870850
     19.39357      7.09066     15.91209        -0.159278      0.288922      0.224403
      4.35992     10.07863     20.24835         0.767878     -0.660484      0.319867
      0.14288     10.59499     17.99112         1.480310     -0.762365      2.398957
      1.27931     12.60101     18.62058        -1.294354      1.901988     -0.751692
      0.68598     21.17529     13.45283         0.389373      0.111872     -0.057468
      3.79895     17.73163     15.34624        -0.333348      1.063700      0.506316
      4.28731     20.18705     15.72428        -1.327755     -0.521917     -0.668672
      0.91139      1.78427     13.85833         0.792632     -0.343781     -0.010891
      4.52958      0.85014     16.08562        -1.930925      0.997955      0.283245
      4.79791      3.27768     16.66234         0.214299     -0.890017      0.157155
     20.01820      8.98179     13.84190        -0.618725     -0.297673     -0.808395
     20.74490      6.77395     13.86157         0.090216      0.428740     -0.159141
      2.84168      8.10543     16.19259         1.489578      0.076522     -0.024319
     18.39078     13.11987     13.35597        -0.975288     -0.183750     -0.407476
      1.37816     12.39872     15.59269        -0.891178      1.392181     -2.020389
      0.65005     14.62466     15.30557         0.342703     -0.011485      0.410152
     17.87998      2.69020      7.06039        -0.484486      0.210104      0.091994
     14.53838      0.84603      3.81522        -0.438825      0.583764     -0.430707
     14.58643      3.31198      4.26937         1.020597     -0.719158      0.642200
     17.91871      4.68731      7.39641        -0.389991     -0.029435     -0.202129
     14.65443      5.14736      4.53373         0.927693      0.671047      0.930323
     14.64680      7.63043      4.97184        -0.006385     -0.831471     -0.214684
     20.35410     10.92670     10.78590        -0.379898     -0.778125     -0.843428
     19.55281      9.03067      9.69704        -0.831478      1.182517      0.470128
     16.78033     11.59501      7.64607        -0.331850      0.535717     -0.284420
      1.06094     14.35695     12.88192         1.356956     -0.620720      0.633501
     18.43689     15.12489     10.07148         1.092346      0.184016      1.876224
     19.44568     17.02218     11.12132        -0.068579      0.009971     -0.139865
     19.35051      4.40775      5.29224         0.124026      0.430252      0.163448
     21.16156      0.63895      8.06175         0.119034      0.914738      0.134622
      0.22513      3.00775      8.84332        -0.786813     -0.238038     -1.256391
     19.70700      6.17467      5.77934        -0.009680     -0.345841     -0.327767
      0.36338      4.87917      9.46988        -0.759788      1.255253     -0.854766
      0.74447      7.28367     10.10672        -0.093661     -0.767717     -0.062145
     18.51310     13.46283      4.89583        -0.244051     -0.560094     -0.117606
     19.03561     11.20570      5.17820        -0.352782      0.251217     -0.350020
      0.08050     12.35096      8.62590         0.548653      0.115683      0.382009
     17.04772     17.67118      4.26116        -0.374826     -0.052553     -0.884457
     20.12145     16.70570      7.85987        -0.651632      0.773639     -0.601062
     19.37886     18.91274      7.64799         0.126729     -0.420542      0.454597
     14.05226     19.28381     10.59031        -0.144028     -0.313378     -0.370821
     18.65665     20.87810      3.68622         1.048142      1.667119      1.560732
     12.36839      1.23830      2.72012         0.419446     -5.960058      1.715436
     13.29607     11.70315      4.56360         0.938785      0.935957      0.004106
      9.96515      2.61185      2.82652        -0.359173     -3.589877     -4.610419
     10.88325     12.61828      5.35913         0.424867      4.458276     -3.722530
      9.47495      5.22868     15.88259        -0.128239     -3.454860      1.487412
     10.33495     15.67197     17.90371         0.852214      4.116613      2.936893
      7.21891      6.40062     15.50550        -0.768012     -3.206002     -2.954364
      7.80150     16.58603     18.37615        -0.158665      4.861071     -1.919275
      6.53038      8.96336      7.46442        -1.066996     -5.323538      1.914150
      7.33361     19.39420      9.08456        -0.013400      5.099354      2.946689
      3.47986     10.18995      8.88045        -0.959652     -4.340214     -3.327334
      4.51664     20.49027     10.54915        -0.473617      5.593408     -3.543367
      2.28137     12.35629      1.54191         1.153087     -4.355949      0.649372
      1.36370      1.72138      3.40496         0.391615      5.884760      2.959767
      3.60279     12.74734     20.36221        -0.908787     -4.200905     -3.242307
      4.04638      1.89621      2.20202        -0.906860      5.859308     -0.253113
     19.62304     15.49799     14.07310         1.814222     -4.609721      1.992093
     20.32794      4.45776     15.81768        -0.417926      3.267785      1.909499
      0.43240     17.00851     12.66585        -0.817630     -3.166680     -2.308626
      1.76916      5.80670     14.94104        -1.937500      4.646714     -2.130680
     17.47957     19.85892      5.81646         2.577131     -4.540047      1.691277
     17.52280      8.91814      7.84673         1.585377      5.394238      2.536550
     19.10843      0.37333      4.38024        -1.793446     -5.059039     -4.688855
     20.45821     10.07379      7.23317        -1.550021      6.686648     -3.533938
     11.96710      2.41945      4.68681       -13.345044      2.417051     68.014846
     12.75367      1.05114      0.40828        14.287412    -45.672780    -64.647903
     12.69194      9.95235      5.95138        -9.362867    -20.333673     58.902752
     13.70415     12.56450      2.37127        34.537282     80.281284    -52.521322
     10.28974      4.50675      1.50186        11.353019     44.112604    -97.817957
      9.46576      1.56135      4.80255       -39.471639   -154.206534     89.116214
     11.20545     11.50077      3.24246         0.676346      0.857818    -15.705782
     10.36194     12.77574      7.57405       -23.568673     80.626422    110.535961
      9.24574      6.48288     17.87834       -10.322510      1.515036     63.858235
      9.64247      5.01859     13.48105         1.694290     -4.853961     -5.139776
      9.90785     13.88077     19.29227       -18.807504    -37.821586    101.151489
     10.74542     16.58957     15.73757        32.418320     89.117006    -59.747619
      7.75265      8.31816     14.15352         0.221232     10.401692    -21.439852
      6.92436      5.26034     17.51386       -18.804875    -90.509469     52.745181
      8.39374     15.56325     16.30073         6.447674      2.736785    -28.296639
      7.13934     16.56912     20.57880       -25.651876     55.929841     93.556177
      6.34142     10.21235      9.39230       -16.118468      7.446378     98.704285
      6.99911      8.74181      5.24129        20.947242    -89.072718   -126.358417
      6.70006     17.69859     10.45579       -34.956803    -39.531331    110.764003
      8.06843     20.21416      7.05337        38.170560     99.049609    -73.209333
      3.09838     12.00998      7.52627       -30.794236     48.164339   -108.396402
      4.08669      9.17701     10.88669        15.552856    -90.050178     61.529575
      4.26301     19.23648      8.65610        -9.731894     -8.440753   -121.036736
      4.72534     20.39358     12.71751        17.649758    185.013465    395.561121
      2.92862     13.45008      3.52714        53.328361    -11.833310    117.170058
      1.06561     12.26461     20.82726        -8.735028     -8.224786     -9.821067
      2.09189      0.11181      4.89806        46.625079    -32.269450    110.656614
      0.53394      2.48217      1.41543       -34.108889     88.039297    -70.417587
      2.40089     14.57411     19.38655       -26.228577     14.368024    -37.114652
      4.94726     11.71519      0.55956        39.775230    -75.215943     29.778504
      2.83341      0.95207      0.48059       -73.579109     11.895517    -88.175322
      5.60222      1.79428      3.87627        83.947480     65.330256    101.216399
      0.10051     16.75887     15.05430        11.729541      0.202098      9.640379
     17.66056     15.13191     12.83164       -79.324697    -73.467329    -41.481448
      0.52640      2.73658     16.19680        24.705329     -9.943962     14.707736
     18.42544      5.34685     14.71134       -82.802756    109.981230    -22.380945
     20.70747     18.92946     12.04523       -61.331666     40.665497    -45.272259
      2.11919     15.76980     13.96128        40.423897    -72.460253      8.249091
      0.16657      4.67088     13.69651       -29.760141      0.379232    -21.411417
      3.66943      5.78402     16.19700       181.525100    171.537297    146.467967
     18.67040     21.14160      7.47803        20.144442      1.067983     28.537670
     15.88902     19.58422      4.21760       -53.407041    -62.347998    -69.120376
     18.63863      7.18499      8.76573        88.618362    -49.816831     98.281867
     15.87470      9.81287      6.51220       -68.990759    104.398222    -42.017181
     18.35261      2.31258      3.53712       -68.645434     76.328943    -93.819822
     20.17394     20.16519      5.84976        28.649260    -72.216575     18.801869
     19.49008      9.04273      5.41740       -49.201126      3.849191    -92.737938
      0.24844      9.74582      9.01446       345.947182    162.227740    460.449566
     13.62841     17.50691      5.23555       -19.364014     25.343892     10.106764
     15.37268     17.04535      5.55906         7.028456     -1.236452      2.729299
     14.35025     16.63854      4.00422         7.443983     -4.783484    -35.872626
     11.95631     15.03742     11.01205        -2.711276      1.240278      8.452882
     11.49868     14.57786      9.15645        -0.842331     -0.809429     -1.443575
     13.52537     13.94773     10.11325        -0.374518     -0.066075      0.495841
     11.97256     18.31975      7.27025         1.830569      1.146824     -1.704729
     10.12194     18.42797      6.22117        -1.522592      0.657790     -0.584139
     10.59664     17.07009      7.71193        -5.047839     -5.807907      7.538633
     12.84819     18.01716      0.28933         0.427188      5.030164     -9.395289
     13.62243     16.79976      1.57801        19.097560    -14.397879      4.998129
     11.69488     16.26625      0.99868        -0.385835      1.431768     -0.657522
     10.00322      0.34579     18.65610       -10.617219      9.717640      4.895456
     11.81998      0.03123     18.67333         9.122776      0.606120      3.437422
     10.81458     20.78015     17.16468         1.058445     -2.592136    -10.080679
      9.47411     18.97000      3.34001        -8.662026      4.856544     21.157835
      8.52537     18.40649      1.60102        -8.377788     -0.186279     -1.660214
     10.23144     18.48036      2.03548        78.719681    -72.455520    -22.544803
      8.27757      0.82814     20.62702         1.873691      0.991785     -1.356800
      6.74790      1.27887     19.16864        -1.602914      0.825343     -1.174721
      6.65697     21.07299     20.58943        -8.657531     -5.979697      6.965239
      9.19036      0.93258     13.29796        -1.556837      0.456356      1.304008
     10.24928     21.07260     14.56254         3.981959     -2.563086      0.978547
      8.35670     20.06225     15.15618        -8.052394      1.054678     -9.069735
      7.41003      4.06379      9.89230        -3.737467      3.428342      0.557981
      9.25567      3.62425     10.47254         3.969081     -0.875423      1.413770
      8.54023      3.08849      8.69057         5.021371     -1.859705    -15.518085
      6.35567      1.42120     15.90984         1.015195      0.666767      7.753968
      5.26257      1.46222     14.28238       -53.033205     17.481248     -1.131006
      6.45405      0.90576     14.17402        57.099342   -131.976923    -69.917587
      5.93974      4.98101     11.82038         0.615793     -0.201406      0.082398
      3.93275      5.07609     11.75774        -5.519943      4.433292     -4.210136
      4.63017      3.76893     12.81349        -0.228926     -7.931833     11.451316
      6.63857      4.28290      5.28510         5.137627      5.674234    -11.330135
      7.01686      3.02015      6.73715         3.464029     -3.114718      1.851509
      5.09344      3.14967      5.83415        -1.275399      0.912932      1.593371
      0.31986      7.52943      4.51527        -7.840277      0.739826      5.869234
      1.71002      7.48963      3.41597        18.283156     11.582905     -3.322626
      0.38490      6.66783      2.70017       -11.449001     -5.723198    -11.890795
      3.49620      5.24098      9.12332        38.395273      6.378688    143.898080
      2.20711      4.45811      8.61158       -15.022895     -7.921060     -2.773949
      3.90542      4.60589      7.74999        19.523867    -21.585522    -26.046792
      5.46376      7.44081      3.61741         6.104705      1.670839     -3.663473
      3.98614      7.31464      4.83214       -13.777844     14.623747      2.113066
      4.95951      6.06663      5.02210        16.307469    -22.810087     19.933059
      1.21594      8.09281     20.14326         0.046666      3.861150     -7.267676
      2.93119      6.74525      0.33757         3.859344      3.875213    -18.497335
      0.74450      6.84942      0.12163        -2.947222     -4.509950      4.027936
     19.85808      9.71462     18.37029         1.379604      0.984211      9.998288
     20.60631     10.48877     16.66566         1.562270      2.221983     -1.183339
     19.17107      9.28429     16.85441       -62.787725     -2.096426    -24.862076
      4.57253      7.72695     19.89593         3.524477     -1.576198      5.616403
      2.71030      6.63531     18.23963         3.380925     -5.878657     51.994676
      4.35547      7.73448     17.95631         9.446592     -3.112904    -15.942743
      2.90287     11.55821     15.33209         4.687336      0.767485     -6.333756
      1.67383     11.75183     16.69880        -0.736329     -2.331743      7.277125
      3.33521     10.31557     16.84282         5.276076     -2.664312      3.650151
     17.73694     10.88807     13.14259       -12.580474      9.430944     -8.871390
     19.11667      9.34342     12.54059         1.842581      0.450896     -4.998320
     18.45620      9.71874     14.19664       -11.946221    -38.711986     36.754061
     16.86820     14.48572      9.84717        -2.330104     -0.464021      1.698029
     18.21776     14.77152      8.35027         6.991045      6.327042     -1.684659
     16.61337     13.94160      7.85296        -8.590566     -1.984464     -6.853872
      1.13095     12.04350     12.74882        14.843735      2.920247     16.675860
     20.85754     11.60394     12.16807       -59.778632    -52.080742     20.448940
      0.84369     11.88789     11.09486        18.710535     -8.570835    -33.741057
      0.49686     16.00167      7.68447         3.087755      0.523080     -3.333966
     20.41827     15.78832      9.11312        -2.359165      0.153724      1.921814
      0.76521     14.60528      9.15989         6.344622     -4.261717      4.836017
     17.15969     15.59609      3.16554        -4.503042      3.726948     -6.339256
     18.89364     14.52115      3.51364        -0.222617      0.114924     -0.396252
     16.91574     14.17633      4.67581        -0.359856      0.100839     -0.416003
 -----------------------------------------------------------------------------------
    total drift:                                0.013253      0.014715      0.030918


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -3549.5309652833 eV

  energy  without entropy=    -3549.5066889947  energy(sigma->0) =    -3549.52287319
 
 d Force =-0.1964086E+04[-0.459E+04, 0.665E+03]  d Energy =-0.7065722E+03-0.126E+04
 d Force =-0.9065594E+04[-0.194E+05, 0.128E+04]  d Ewald  =-0.7734037E+04-0.133E+04


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Steepest descent step on ions:
 trial-energy change:  706.572194  1 .order 1964.086023 -664.764917 4592.936963
  (g-gl).g = 0.665E+03      g.g   = 0.665E+03  gl.gl    = 0.000E+00
 g(Force)  = 0.665E+03   g(Stress)= 0.000E+00 ortho     = 0.000E+00
 gamma     =   0.00000
 trial     =   1.00000
 opt step  =   0.12644  (harmonic =   0.12644) maximal distance =0.13187523
 next E    = -4298.128402   (d E  = -42.02524)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3224
 total energy-change (2. order) : 0.7602511E+02  (-0.1061233E+05)
 number of electron    2497.9999869 magnetization 
 augmentation part      144.1381715 magnetization 

  free energy =  -0.347350584398E+04  energy without entropy=  -0.347344337491E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(   2)  ---------------------------------------



 eigenvalue-minimisations  :  4448
 total energy-change (2. order) :-0.1032932E+04  (-0.1335336E+04)
 number of electron    2497.9999848 magnetization 
 augmentation part      174.3017334 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.6715
  0.6715

  free energy =  -0.450643813403E+04  energy without entropy=  -0.450641325763E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(   3)  ---------------------------------------



 eigenvalue-minimisations  :  4328
 total energy-change (2. order) : 0.1378345E+03  (-0.1471059E+03)
 number of electron    2497.9999845 magnetization 
 augmentation part      164.8596623 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0624
  1.0624  1.0624

  free energy =  -0.436860362595E+04  energy without entropy=  -0.436856818005E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3832
 total energy-change (2. order) : 0.3438332E+02  (-0.6007905E+02)
 number of electron    2497.9999861 magnetization 
 augmentation part      156.4826348 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0832
  1.7404  0.8082  0.7011

  free energy =  -0.433422030159E+04  energy without entropy=  -0.433430751317E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3808
 total energy-change (2. order) :-0.8834674E+01  (-0.2852350E+02)
 number of electron    2497.9999868 magnetization 
 augmentation part      155.0470731 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0672
  2.0239  0.8206  0.7121  0.7121

  free energy =  -0.434305497576E+04  energy without entropy=  -0.434305858417E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(   6)  ---------------------------------------



 eigenvalue-minimisations  :  4448
 total energy-change (2. order) : 0.1117540E+02  (-0.4102894E+01)
 number of electron    2497.9999861 magnetization 
 augmentation part      155.8157327 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1414
  2.3361  0.8982  0.8982  0.9548  0.6194

  free energy =  -0.433187957598E+04  energy without entropy=  -0.433197279162E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3776
 total energy-change (2. order) :-0.5112881E+00  (-0.4943222E+01)
 number of electron    2497.9999860 magnetization 
 augmentation part      157.0839134 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0530
  2.4231  1.1033  0.8868  0.8868  0.5090  0.5090

  free energy =  -0.433239086412E+04  energy without entropy=  -0.433243771357E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(   8)  ---------------------------------------



 eigenvalue-minimisations  :  4064
 total energy-change (2. order) : 0.2126161E+01  (-0.4521023E+01)
 number of electron    2497.9999860 magnetization 
 augmentation part      157.4402534 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0086
  2.4770  1.1784  0.8685  0.8685  0.6440  0.5121  0.5121

  free energy =  -0.433026470353E+04  energy without entropy=  -0.433040170848E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3696
 total energy-change (2. order) : 0.3596586E+00  (-0.2784847E+00)
 number of electron    2497.9999859 magnetization 
 augmentation part      157.3431778 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9972
  2.5044  1.2262  0.9210  0.9210  0.7387  0.7387  0.4636  0.4636

  free energy =  -0.432990504488E+04  energy without entropy=  -0.432999676278E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3864
 total energy-change (2. order) : 0.5023673E-01  (-0.1507659E+00)
 number of electron    2497.9999861 magnetization 
 augmentation part      157.2174738 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9780
  2.5372  1.3304  0.9849  0.9849  0.7705  0.7705  0.5116  0.4559  0.4559

  free energy =  -0.432985480815E+04  energy without entropy=  -0.433000585142E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(  11)  ---------------------------------------



 eigenvalue-minimisations  :  3872
 total energy-change (2. order) : 0.9102392E-01  (-0.3013488E-01)
 number of electron    2497.9999860 magnetization 
 augmentation part      157.1183203 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9968
  2.5650  1.7021  0.9187  0.9187  0.8833  0.8446  0.6347  0.6347  0.4332  0.4332

  free energy =  -0.432976378423E+04  energy without entropy=  -0.432984031063E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(  12)  ---------------------------------------



 eigenvalue-minimisations  :  3832
 total energy-change (2. order) : 0.2549415E-02  (-0.1261034E-01)
 number of electron    2497.9999861 magnetization 
 augmentation part      157.0833783 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0038
  2.6082  2.0405  0.9580  0.9580  1.0167  0.7077  0.7077  0.5840  0.5840  0.4386
  0.4386

  free energy =  -0.432976123481E+04  energy without entropy=  -0.432984477890E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(  13)  ---------------------------------------



 eigenvalue-minimisations  :  3912
 total energy-change (2. order) : 0.3828029E-02  (-0.4396752E-02)
 number of electron    2497.9999860 magnetization 
 augmentation part      157.0857136 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9947
  2.6504  2.1713  1.0001  1.0001  1.0778  0.7481  0.7481  0.6237  0.6237  0.4417
  0.4417  0.4092

  free energy =  -0.432975740678E+04  energy without entropy=  -0.432979877242E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(  14)  ---------------------------------------



 eigenvalue-minimisations  :  3744
 total energy-change (2. order) :-0.3137989E-02  (-0.2388431E-02)
 number of electron    2497.9999860 magnetization 
 augmentation part      157.0998993 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9830
  2.7139  2.2723  1.1467  0.9982  0.9982  0.8210  0.8210  0.6663  0.6663  0.4449
  0.4449  0.4559  0.3288

  free energy =  -0.432976054477E+04  energy without entropy=  -0.432981498144E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(  15)  ---------------------------------------



 eigenvalue-minimisations  :  3776
 total energy-change (2. order) :-0.3175574E-02  (-0.9393093E-03)
 number of electron    2497.9999860 magnetization 
 augmentation part      157.1162310 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9836
  2.7104  2.2923  1.4507  0.9900  0.9900  0.8923  0.8923  0.7504  0.6107  0.6107
  0.4416  0.4416  0.4197  0.2781

  free energy =  -0.432976372035E+04  energy without entropy=  -0.432980240361E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(  16)  ---------------------------------------



 eigenvalue-minimisations  :  3752
 total energy-change (2. order) :-0.3524384E-02  (-0.3848874E-03)
 number of electron    2497.9999860 magnetization 
 augmentation part      157.1153733 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9977
  2.6372  2.3878  1.8925  1.0081  1.0081  0.9525  0.8604  0.8604  0.6671  0.6671
  0.4437  0.4437  0.4784  0.3922  0.2662

  free energy =  -0.432976724473E+04  energy without entropy=  -0.432981023314E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(  17)  ---------------------------------------



 eigenvalue-minimisations  :  3696
 total energy-change (2. order) :-0.3973021E-02  (-0.3629928E-03)
 number of electron    2497.9999860 magnetization 
 augmentation part      157.1123278 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0025
  2.6445  2.5946  1.8866  1.0019  1.0019  0.9862  0.9862  0.8414  0.8414  0.6207
  0.6207  0.4435  0.4435  0.4747  0.3825  0.2692

  free energy =  -0.432977121775E+04  energy without entropy=  -0.432981073418E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(  18)  ---------------------------------------



 eigenvalue-minimisations  :  3856
 total energy-change (2. order) :-0.2690980E-02  (-0.1670642E-03)
 number of electron    2497.9999860 magnetization 
 augmentation part      157.1127004 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0070
  2.6348  2.6348  2.0027  1.0131  1.0131  0.9275  0.9275  1.0203  1.0203  0.6356
  0.6356  0.6428  0.4427  0.4427  0.4733  0.3834  0.2684

  free energy =  -0.432977390873E+04  energy without entropy=  -0.432980991831E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(  19)  ---------------------------------------



 eigenvalue-minimisations  :  3744
 total energy-change (2. order) :-0.2037632E-02  (-0.6401061E-04)
 number of electron    2497.9999860 magnetization 
 augmentation part      157.1116412 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0564
  3.0586  2.5693  2.2398  1.6371  1.0101  1.0101  0.9939  0.8709  0.8709  0.7716
  0.7716  0.6041  0.6041  0.4426  0.4426  0.4649  0.3842  0.2685

  free energy =  -0.432977594636E+04  energy without entropy=  -0.432981220229E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(  20)  ---------------------------------------



 eigenvalue-minimisations  :  3880
 total energy-change (2. order) :-0.2352878E-02  (-0.4776814E-04)
 number of electron    2497.9999860 magnetization 
 augmentation part      157.1120395 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0712
  3.4324  2.6701  2.3660  1.6043  1.0021  1.0021  0.9666  0.9666  0.9327  0.9327
  0.6419  0.6419  0.6496  0.4426  0.4426  0.5426  0.4621  0.3848  0.2685

  free energy =  -0.432977829924E+04  energy without entropy=  -0.432981107499E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(  21)  ---------------------------------------



 eigenvalue-minimisations  :  3800
 total energy-change (2. order) :-0.8707228E-03  (-0.6670230E-04)
 number of electron    2497.9999860 magnetization 
 augmentation part      157.1120511 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0810
  3.8686  2.5725  2.3945  1.6850  1.0155  1.0155  1.0471  1.0471  0.9387  0.8337
  0.8337  0.6626  0.6626  0.4426  0.4426  0.5334  0.5334  0.4361  0.3861  0.2685

  free energy =  -0.432977916996E+04  energy without entropy=  -0.432981247319E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(  22)  ---------------------------------------



 eigenvalue-minimisations  :  3928
 total energy-change (2. order) :-0.5874326E-03  (-0.2037036E-04)
 number of electron    2497.9999860 magnetization 
 augmentation part      157.1118717 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1086
  4.3063  2.5494  2.5494  1.8783  1.0212  1.0212  1.0541  1.0541  1.0359  0.8069
  0.8069  0.8458  0.6430  0.6430  0.4426  0.4426  0.5402  0.5402  0.4450  0.3855
  0.2685

  free energy =  -0.432977975740E+04  energy without entropy=  -0.432981294675E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(  23)  ---------------------------------------



 eigenvalue-minimisations  :  3760
 total energy-change (2. order) :-0.4397248E-03  (-0.1065608E-04)
 number of electron    2497.9999860 magnetization 
 augmentation part      157.1114884 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1538
  4.9820  2.6806  2.4823  2.1928  1.1826  1.1826  1.0123  1.0123  1.0795  0.8488
  0.8488  0.7870  0.7870  0.6396  0.6396  0.4427  0.4427  0.5353  0.5151  0.4357
  0.3856  0.2685

  free energy =  -0.432978019712E+04  energy without entropy=  -0.432981359098E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(  24)  ---------------------------------------



 eigenvalue-minimisations  :  3752
 total energy-change (2. order) :-0.2710998E-03  (-0.7761678E-05)
 number of electron    2497.9999860 magnetization 
 augmentation part      157.1116056 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1710
  5.4191  2.8289  2.4966  2.3224  1.2424  1.2424  1.0155  1.0155  1.0819  0.9301
  0.8646  0.8646  0.7086  0.7086  0.6102  0.6102  0.4427  0.4427  0.4995  0.4995
  0.3856  0.4321  0.2685

  free energy =  -0.432978046822E+04  energy without entropy=  -0.432981450735E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(  25)  ---------------------------------------



 eigenvalue-minimisations  :  3368
 total energy-change (2. order) :-0.1411143E-03  (-0.4211664E-05)
 number of electron    2497.9999860 magnetization 
 augmentation part      157.1116005 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1778
  5.7884  2.8710  2.5754  2.3771  1.2684  1.2684  1.0204  1.0204  1.1249  0.9243
  0.9243  0.8740  0.6962  0.6962  0.6247  0.6247  0.6261  0.4427  0.4427  0.2685
  0.5211  0.4827  0.3859  0.4179

  free energy =  -0.432978060934E+04  energy without entropy=  -0.432981430491E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(  26)  ---------------------------------------



 eigenvalue-minimisations  :  2504
 total energy-change (2. order) :-0.1013725E-03  (-0.1034886E-05)
 number of electron    2497.9999860 magnetization 
 augmentation part      157.1118007 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2374
  6.3054  3.1658  2.6212  2.5032  1.8661  1.2430  1.2430  1.0194  1.0194  0.9529
  0.8802  0.8802  0.8434  0.8434  0.6826  0.6826  0.6149  0.6149  0.4427  0.4427
  0.2685  0.4951  0.4951  0.3857  0.4246

  free energy =  -0.432978071071E+04  energy without entropy=  -0.432981450711E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(  27)  ---------------------------------------



 eigenvalue-minimisations  :  2680
 total energy-change (2. order) :-0.9794810E-04  (-0.1553787E-05)
 number of electron    2497.9999860 magnetization 
 augmentation part      157.1119192 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2589
  6.7782  3.3791  2.5580  2.5580  2.1272  1.2433  1.2433  1.0204  1.0204  1.0032
  0.9421  0.9421  0.8455  0.8455  0.6813  0.6813  0.6989  0.6096  0.6096  0.4427
  0.4427  0.2685  0.4903  0.4903  0.3857  0.4247

  free energy =  -0.432978080866E+04  energy without entropy=  -0.432981472421E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(  28)  ---------------------------------------



 eigenvalue-minimisations  :  2464
 total energy-change (2. order) :-0.3334475E-04  (-0.1104449E-05)
 number of electron    2497.9999860 magnetization 
 augmentation part      157.1118964 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2624
  7.0810  3.5954  2.7127  2.4849  2.1674  1.1839  1.1839  1.0230  1.0230  1.1051
  1.1051  0.8667  0.8667  0.8116  0.8116  0.6697  0.6697  0.6119  0.6119  0.4427
  0.4427  0.2685  0.5381  0.4988  0.4988  0.3857  0.4240

  free energy =  -0.432978084200E+04  energy without entropy=  -0.432981485701E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(  29)  ---------------------------------------



 eigenvalue-minimisations  :  2368
 total energy-change (2. order) :-0.2096721E-04  (-0.3203899E-06)
 number of electron    2497.9999860 magnetization 
 augmentation part      157.1118647 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3098
  7.5298  3.9763  2.7406  2.3782  2.3782  1.6243  1.1921  1.1921  1.2211  1.0209
  1.0209  0.9040  0.9040  0.7741  0.7741  0.7874  0.7067  0.7067  0.6558  0.6209
  0.6209  0.4427  0.4427  0.2685  0.4914  0.4914  0.3857  0.4244

  free energy =  -0.432978086297E+04  energy without entropy=  -0.432981490137E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(  30)  ---------------------------------------



 eigenvalue-minimisations  :  2400
 total energy-change (2. order) :-0.1782333E-04  (-0.2679125E-06)
 number of electron    2497.9999860 magnetization 
 augmentation part      157.1118182 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3380
  7.7742  4.3788  2.7789  2.5012  2.5012  1.8804  1.2064  1.2064  1.0219  1.0219
  1.0642  1.0642  1.0646  0.8312  0.8312  0.7387  0.7387  0.6972  0.6972  0.6209
  0.6209  0.6152  0.4427  0.4427  0.2685  0.4919  0.4919  0.3857  0.4243

  free energy =  -0.432978088079E+04  energy without entropy=  -0.432981497422E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    3(  31)  ---------------------------------------



 eigenvalue-minimisations  :  2328
 total energy-change (2. order) :-0.7677270E-05  (-0.1576628E-06)
 number of electron    2497.9999860 magnetization 
 augmentation part      157.1118182 magnetization 

  free energy =  -0.432978088847E+04  energy without entropy=  -0.432981498034E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0064       2 -56.3780       3 -55.9693       4 -55.7244       5 -55.7309
       6 -56.1200       7 -58.0995       8 -58.2672       9 -56.0277      10 -55.8485
      11 -56.0837      12 -55.6541      13 -55.5269      14 -56.0759      15 -58.2074
      16 -58.1680      17 -56.6781      18 -55.1149      19 -54.6535      20 -55.5322
      21 -55.7495      22 -55.6897      23 -55.5308      24 -55.7904      25 -55.2004
      26 -54.8589      27 -54.9810      28 -55.1224      29 -60.8504      30 -60.7664
      31 -55.8647      32 -56.0814      33 -55.6398      34 -55.2574      35 -55.4641
      36 -55.8757      37 -58.0889      38 -58.3241      39 -55.7122      40 -55.3213
      41 -56.2817      42 -55.3092      43 -55.4274      44 -55.7616      45 -58.0910
      46 -58.3107      47 -56.5891      48 -55.2250      49 -54.6988      50 -55.3566
      51 -56.0001      52 -55.6930      53 -55.3181      54 -56.3761      55 -54.9616
      56 -54.5048      57 -54.7144      58 -56.3018      59 -61.0840      60 -61.0922
      61 -56.3065      62 -56.4912      63 -56.1944      64 -56.1241      65 -55.9927
      66 -56.1672      67 -58.0502      68 -58.3368      69 -56.0397      70 -55.8644
      71 -56.1104      72 -55.6486      73 -55.4851      74 -56.0821      75 -58.3285
      76 -58.1568      77 -56.6140      78 -55.0963      79 -54.6166      80 -55.6271
      81 -55.8119      82 -55.6658      83 -55.4766      84 -55.8542      85 -55.2387
      86 -55.1651      87 -55.1445      88 -56.6287      89 -61.2214      90 -61.1028
      91 -55.8733      92 -56.1292      93 -55.6252      94 -55.2153      95 -55.1894
      96 -55.7226      97 -58.1371      98 -58.4067      99 -55.8688     100 -55.7152
     101 -56.1066     102 -55.3695     103 -55.4009     104 -55.8354     105 -58.0983
     106 -58.3970     107 -56.4883     108 -55.0500     109 -55.2616     110 -55.1814
     111 -55.9774     112 -55.7061     113 -55.8351     114 -56.0344     115 -55.6015
     116 -55.0450     117 -55.2038     118 -56.6623     119 -61.3776     120 -60.9045
     121 -56.0125     122 -56.0929     123 -55.7811     124 -55.6552     125 -55.6846
     126 -56.0596     127 -58.1159     128 -58.1856     129 -56.1072     130 -55.8250
     131 -56.1900     132 -55.7074     133 -55.6988     134 -56.0624     135 -58.1791
     136 -58.2815     137 -56.6578     138 -55.4951     139 -54.9332     140 -55.5780
     141 -56.0173     142 -55.9916     143 -55.7621     144 -56.0016     145 -55.7049
     146 -56.2263     147 -56.4848     148 -56.6545     149 -61.2002     150 -61.2945
     151 -55.7946     152 -55.8723     153 -55.5516     154 -55.4022     155 -55.4205
     156 -55.8111     157 -57.9898     158 -57.9475     159 -55.7639     160 -55.5315
     161 -56.0273     162 -55.3939     163 -55.4427     164 -55.8162     165 -58.1999
     166 -58.0904     167 -56.6166     168 -55.3181     169 -54.7601     170 -55.7060
     171 -56.0781     172 -55.9994     173 -56.1069     174 -55.7725     175 -55.0128
     176 -55.0438     177 -54.7294     178 -56.1395     179 -60.9052     180 -61.4394
     181 -55.9951     182 -55.8441     183 -55.4102     184 -55.3697     185 -55.0978
     186 -55.7978     187 -58.2506     188 -57.8428     189 -55.9046     190 -55.6194
     191 -55.9087     192 -55.4751     193 -55.4424     194 -55.8604     195 -57.9704
     196 -58.1143     197 -56.3303     198 -54.8479     199 -54.5684     200 -55.2057
     201 -55.8693     202 -55.5395     203 -55.5523     204 -55.7583     205 -55.0874
     206 -55.2537     207 -54.9060     208 -56.3382     209 -61.0926     210 -60.9468
     211 -56.0390     212 -56.2135     213 -55.6992     214 -55.5913     215 -55.5424
     216 -56.0176     217 -58.1923     218 -58.3706     219 -56.1046     220 -55.8128
     221 -56.1521     222 -55.6641     223 -55.5550     224 -56.0221     225 -58.1307
     226 -58.3738     227 -56.4772     228 -55.0806     229 -54.8005     230 -55.2981
     231 -55.8993     232 -55.8082     233 -56.3216     234 -55.7477     235 -55.3440
     236 -54.9397     237 -55.0827     238 -56.4706     239 -61.0033     240 -60.8648
     241 -56.0306     242 -56.0753     243 -55.8958     244 -55.6208     245 -55.6430
     246 -55.9576     247 -58.2098     248 -58.2895     249 -56.0813     250 -55.7789
     251 -56.1927     252 -55.6146     253 -55.6651     254 -55.9649     255 -58.1679
     256 -58.0179     257 -56.6790     258 -56.0021     259 -55.2305     260 -55.7668
     261 -55.8156     262 -56.2949     263 -55.8721     264 -56.2650     265 -55.5627
     266 -55.7337     267 -57.2356     268 -57.2578     269 -61.2115     270 -61.0672
     271 -56.0489     272 -56.0838     273 -55.6507     274 -55.7671     275 -55.7012
     276 -55.9592     277 -58.3599     278 -58.2564     279 -55.5638     280 -55.8870
     281 -56.4175     282 -55.2708     283 -55.1342     284 -55.6818     285 -58.2224
     286 -58.0299     287 -56.6014     288 -55.4162     289 -54.5939     290 -55.9333
     291 -55.8802     292 -56.0481     293 -55.6201     294 -56.1838     295 -55.0675
     296 -54.7728     297 -54.8033     298 -56.3630     299 -60.9828     300 -61.5413
     301 -56.0173     302 -56.2230     303 -55.8995     304 -55.5988     305 -55.6151
     306 -56.0524     307 -58.1616     308 -58.5616     309 -56.0940     310 -55.8001
     311 -56.1345     312 -55.6983     313 -55.6780     314 -56.0667     315 -58.1627
     316 -58.1380     317 -56.3702     318 -55.1037     319 -54.6558     320 -55.1683
     321 -55.6664     322 -55.4932     323 -55.3255     324 -55.7311     325 -54.9784
     326 -55.4816     327 -55.2449     328 -56.5672     329 -60.7108     330 -60.8014
     331 -55.9243     332 -55.8002     333 -55.3712     334 -55.3255     335 -55.2912
     336 -55.6212     337 -58.1556     338 -58.0231     339 -55.5342     340 -55.2494
     341 -55.6165     342 -55.2210     343 -55.2719     344 -55.6061     345 -57.8346
     346 -57.7704     347 -56.2189     348 -54.7839     349 -54.4263     350 -55.2214
     351 -55.7413     352 -55.4559     353 -55.4977     354 -55.6770     355 -55.1432
     356 -54.5050     357 -54.9477     358 -56.3347     359 -60.7829     360 -60.9689
     361 -39.0818     362 -38.7453     363 -38.9326     364 -39.0255     365 -38.8038
     366 -38.4701     367 -38.9479     368 -38.2977     369 -38.3661     370 -38.3092
     371 -38.8658     372 -38.2181     373 -38.8267     374 -38.3951     375 -38.6436
     376 -38.7722     377 -38.5054     378 -38.4762     379 -38.9451     380 -38.1328
     381 -38.3729     382 -38.0245     383 -38.9289     384 -37.7922     385 -39.1624
     386 -39.0074     387 -39.0038     388 -38.9260     389 -38.8073     390 -38.4491
     391 -39.3854     392 -38.0433     393 -38.5901     394 -38.1911     395 -39.0816
     396 -38.3553     397 -38.8293     398 -38.1897     399 -38.3842     400 -38.9034
     401 -38.2539     402 -38.5354     403 -39.0526     404 -38.0698     405 -38.1581
     406 -38.5553     407 -38.8305     408 -37.9582     409 -38.7530     410 -38.6280
     411 -38.8841     412 -38.8413     413 -38.9179     414 -38.6759     415 -39.6909
     416 -39.0820     417 -38.3576     418 -38.5535     419 -39.7466     420 -39.0665
     421 -38.5453     422 -38.3149     423 -38.4812     424 -38.6532     425 -38.3766
     426 -38.8837     427 -38.9429     428 -38.1515     429 -38.7427     430 -38.0794
     431 -39.3260     432 -37.7348     433 -38.3218     434 -38.4205     435 -38.5236
     436 -38.5624     437 -38.6825     438 -38.4089     439 -39.3936     440 -37.8713
     441 -38.0550     442 -38.2430     443 -39.0581     444 -37.9132     445 -38.6472
     446 -38.6127     447 -38.6573     448 -38.7456     449 -38.7201     450 -38.3782
     451 -38.8158     452 -37.8391     453 -38.1352     454 -38.4935     455 -38.9243
     456 -37.9694     457 -39.0320     458 -38.6131     459 -38.7918     460 -39.0593
     461 -38.8514     462 -38.6602     463 -39.5973     464 -39.2963     465 -38.5770
     466 -38.4444     467 -39.8546     468 -39.2595     469 -38.9597     470 -38.8987
     471 -38.7220     472 -39.0159     473 -38.4568     474 -38.2519     475 -39.1185
     476 -38.3325     477 -38.9458     478 -38.0826     479 -39.0583     480 -37.7523
     481 -38.9532     482 -38.5330     483 -38.7126     484 -38.8468     485 -38.7748
     486 -38.6393     487 -39.1645     488 -38.4837     489 -38.0190     490 -38.0225
     491 -39.0154     492 -38.3842     493 -38.6030     494 -38.2274     495 -38.4505
     496 -38.5015     497 -38.3434     498 -38.2924     499 -38.6402     500 -37.6589
     501 -38.2035     502 -38.0318     503 -38.7132     504 -37.7978     505 -38.3335
     506 -40.7147     507 -71.5469     508 -71.7405     509 -71.8263     510 -71.8285
     511 -71.7376     512 -71.6553     513 -71.7741     514 -71.6774     515 -71.5974
     516 -71.7344     517 -71.3265     518 -71.6491     519 -71.5473     520 -71.6173
     521 -71.9176     522 -71.6113     523 -71.7176     524 -71.7552     525 -71.8413
     526 -72.2752     527 -71.7438     528 -71.6669     529 -71.3511     530 -71.2985
     531 -76.2828     532 -75.9445     533 -76.1452     534 -75.9554     535 -76.0868
     536 -75.9856     537 -76.1372     538 -76.1683     539 -76.6298     540 -76.7647
     541 -75.9299     542 -76.0090     543 -76.1822     544 -76.0766     545 -76.4972
     546 -76.2279     547 -76.3580     548 -76.3531     549 -76.7916     550 -76.2970
     551 -76.0321     552 -75.9540     553 -76.1798     554 -76.6081     555 -75.7768
     556 -77.2683     557 -76.2194     558 -76.0909     559 -76.5179     560 -76.1931
     561 -76.5292     562 -76.2493     563 -76.3465     564 -76.0440     565 -77.3481
     566 -76.3116     567 -76.2269     568 -75.8116     569 -76.0331     570 -76.4349
     571 -76.8251     572 -76.3020     573 -76.3342     574 -76.2751     575 -76.0153
     576 -75.7902     577 -75.8231     578 -76.0412     579 -82.9984     580 -82.4545
     581 -82.4775     582 -82.5584     583 -82.4992     584 -82.4724     585 -82.8691
     586 -82.6517     587 -82.7237     588 -82.6472     589 -82.7150     590 -82.4619
     591 -83.4442     592 -82.5150     593 -83.0410     594 -82.8944     595 -82.6890
     596 -84.2430     597 -83.0511     598 -82.6767     599 -82.5959     600 -82.6615
     601 -82.9964     602 -82.7049     603 -83.8560     604 -82.8891     605 -83.0883
     606 -82.8740     607 -82.9233     608 -84.1534     609 -84.1157     610 -83.0065
     611 -82.9948     612 -82.4075     613 -82.5076     614 -82.4992     615 -82.5911
     616 -84.0222     617 -82.5443     618 -83.8829     619 -82.8069     620 -83.4046
     621 -82.4210     622 -83.4636     623 -82.8024     624 -83.4091     625 -82.8550
     626 -82.6765     627 -82.4400     628 -83.7162     629 -83.0005     630 -82.7450
     631 -83.2286     632 -82.8701     633 -83.0854     634 -84.6609     635 -83.2557
     636 -82.5269     637 -82.4246     638 -82.9368     639 -82.3543     640 -82.9202
     641 -82.3403     642 -82.4107     643 -83.5890     644 -82.5953     645 -82.5556
     646 -83.5068     647 -82.6199     648 -82.3209     649 -82.3086     650 -82.3277
 
 
 
 E-fermi :  -0.6324     XC(G=0):  -6.3601     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -30.3514      2.00000
      2     -29.8817      2.00000
      3     -29.7678      2.00000
      4     -29.6686      2.00000
      5     -29.5457      2.00000
      6     -29.3911      2.00000
      7     -29.2556      2.00000
      8     -29.1704      2.00000
      9     -29.0822      2.00000
     10     -28.8263      2.00000
     11     -28.7509      2.00000
     12     -28.6935      2.00000
     13     -28.6606      2.00000
     14     -28.4559      2.00000
     15     -28.3802      2.00000
     16     -28.2240      2.00000
     17     -28.0993      2.00000
     18     -28.0352      2.00000
     19     -28.0107      2.00000
     20     -27.9997      2.00000
     21     -27.8602      2.00000
     22     -27.8532      2.00000
     23     -27.7369      2.00000
     24     -27.7068      2.00000
     25     -27.6970      2.00000
     26     -27.4823      2.00000
     27     -27.4633      2.00000
     28     -27.4571      2.00000
     29     -27.4123      2.00000
     30     -27.3750      2.00000
     31     -27.3185      2.00000
     32     -27.2742      2.00000
     33     -27.2654      2.00000
     34     -27.1864      2.00000
     35     -27.1514      2.00000
     36     -26.9998      2.00000
     37     -26.9648      2.00000
     38     -26.9539      2.00000
     39     -26.9325      2.00000
     40     -26.9065      2.00000
     41     -26.8980      2.00000
     42     -26.8171      2.00000
     43     -26.7777      2.00000
     44     -26.7583      2.00000
     45     -26.6824      2.00000
     46     -26.6520      2.00000
     47     -26.6114      2.00000
     48     -26.5838      2.00000
     49     -26.5552      2.00000
     50     -26.5125      2.00000
     51     -26.4550      2.00000
     52     -26.4356      2.00000
     53     -26.4256      2.00000
     54     -26.3967      2.00000
     55     -26.3943      2.00000
     56     -26.3491      2.00000
     57     -26.3348      2.00000
     58     -26.3272      2.00000
     59     -26.3168      2.00000
     60     -26.3027      2.00000
     61     -26.2764      2.00000
     62     -26.2332      2.00000
     63     -26.2226      2.00000
     64     -26.1810      2.00000
     65     -26.1687      2.00000
     66     -26.1646      2.00000
     67     -26.1012      2.00000
     68     -26.1008      2.00000
     69     -26.0750      2.00000
     70     -26.0692      2.00000
     71     -26.0189      2.00000
     72     -26.0048      2.00000
     73     -22.7450      2.00000
     74     -22.1727      2.00000
     75     -22.1292      2.00000
     76     -22.0066      2.00000
     77     -21.9606      2.00000
     78     -21.8179      2.00000
     79     -21.5886      2.00000
     80     -21.5535      2.00000
     81     -21.5343      2.00000
     82     -21.4204      2.00000
     83     -21.1207      2.00000
     84     -21.0811      2.00000
     85     -21.0654      2.00000
     86     -21.0521      2.00000
     87     -20.9638      2.00000
     88     -20.8884      2.00000
     89     -20.8585      2.00000
     90     -20.8522      2.00000
     91     -20.8323      2.00000
     92     -20.7159      2.00000
     93     -20.7047      2.00000
     94     -20.6850      2.00000
     95     -20.6120      2.00000
     96     -20.5972      2.00000
     97     -20.5485      2.00000
     98     -20.5213      2.00000
     99     -20.4646      2.00000
    100     -20.4398      2.00000
    101     -20.4385      2.00000
    102     -20.4245      2.00000
    103     -20.4034      2.00000
    104     -20.3459      2.00000
    105     -20.3317      2.00000
    106     -20.3092      2.00000
    107     -20.2842      2.00000
    108     -20.2720      2.00000
    109     -20.2388      2.00000
    110     -20.2190      2.00000
    111     -20.2043      2.00000
    112     -20.0850      2.00000
    113     -20.0303      2.00000
    114     -20.0011      2.00000
    115     -19.9892      2.00000
    116     -19.9313      2.00000
    117     -19.9039      2.00000
    118     -19.8208      2.00000
    119     -19.8138      2.00000
    120     -19.7930      2.00000
    121     -19.7387      2.00000
    122     -19.6746      2.00000
    123     -19.5178      2.00000
    124     -19.3814      2.00000
    125     -19.3773      2.00000
    126     -19.3302      2.00000
    127     -19.3060      2.00000
    128     -19.2987      2.00000
    129     -19.2854      2.00000
    130     -19.2306      2.00000
    131     -19.2207      2.00000
    132     -19.1793      2.00000
    133     -19.1675      2.00000
    134     -19.1580      2.00000
    135     -19.1504      2.00000
    136     -19.1498      2.00000
    137     -19.1233      2.00000
    138     -19.0909      2.00000
    139     -19.0575      2.00000
    140     -18.9810      2.00000
    141     -18.9694      2.00000
    142     -18.9305      2.00000
    143     -18.9031      2.00000
    144     -18.8064      2.00000
    145     -18.7946      2.00000
    146     -18.6537      2.00000
    147     -18.6350      2.00000
    148     -18.5604      2.00000
    149     -18.4805      2.00000
    150     -18.4659      2.00000
    151     -18.4418      2.00000
    152     -18.3877      2.00000
    153     -18.3708      2.00000
    154     -18.3571      2.00000
    155     -18.3494      2.00000
    156     -18.3219      2.00000
    157     -18.3025      2.00000
    158     -18.2792      2.00000
    159     -18.2669      2.00000
    160     -18.2486      2.00000
    161     -18.2265      2.00000
    162     -18.2147      2.00000
    163     -18.1548      2.00000
    164     -18.1234      2.00000
    165     -18.1084      2.00000
    166     -18.0680      2.00000
    167     -18.0268      2.00000
    168     -18.0153      2.00000
    169     -17.9745      2.00000
    170     -17.9719      2.00000
    171     -17.9584      2.00000
    172     -17.9463      2.00000
    173     -17.9288      2.00000
    174     -17.9197      2.00000
    175     -17.8488      2.00000
    176     -17.8427      2.00000
    177     -17.8091      2.00000
    178     -17.8073      2.00000
    179     -17.7502      2.00000
    180     -17.7406      2.00000
    181     -17.6818      2.00000
    182     -17.6614      2.00000
    183     -17.6560      2.00000
    184     -17.6132      2.00000
    185     -17.5779      2.00000
    186     -17.5233      2.00000
    187     -17.5148      2.00000
    188     -17.4938      2.00000
    189     -17.4696      2.00000
    190     -17.4486      2.00000
    191     -17.3512      2.00000
    192     -17.3157      2.00000
    193     -17.0296      2.00000
    194     -16.7195      2.00000
    195     -16.7020      2.00000
    196     -16.6488      2.00000
    197     -16.6171      2.00000
    198     -16.5299      2.00000
    199     -16.5142      2.00000
    200     -16.4942      2.00000
    201     -16.4571      2.00000
    202     -16.4229      2.00000
    203     -16.4008      2.00000
    204     -16.3567      2.00000
    205     -16.3361      2.00000
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   1340       2.6429     -0.00000
   1341       2.6507     -0.00000
   1342       2.6682     -0.00000
   1343       2.7056     -0.00000
   1344       2.7122     -0.00000
   1345       2.7222     -0.00000
   1346       2.7553     -0.00000
   1347       2.7767     -0.00000
   1348       2.8174     -0.00000
   1349       2.8228     -0.00000
   1350       2.8536     -0.00000
   1351       2.8876     -0.00000
   1352       2.8988     -0.00000
   1353       2.9276     -0.00000
   1354       2.9317     -0.00000
   1355       2.9381     -0.00000
   1356       2.9531     -0.00000
   1357       2.9625     -0.00000
   1358       2.9930     -0.00000
   1359       3.0135     -0.00000
   1360       3.0180     -0.00000
   1361       3.0294     -0.00000
   1362       3.0387     -0.00000
   1363       3.0757     -0.00000
   1364       3.1042     -0.00000
   1365       3.1291     -0.00000
   1366       3.1358     -0.00000
   1367       3.1474     -0.00000
   1368       3.1813     -0.00000
   1369       3.1867     -0.00000
   1370       3.1955     -0.00000
   1371       3.2095     -0.00000
   1372       3.2246     -0.00000
   1373       3.2347     -0.00000
   1374       3.2423     -0.00000
   1375       3.2549     -0.00000
   1376       3.2720     -0.00000
   1377       3.2801     -0.00000
   1378       3.2980     -0.00000
   1379       3.3139     -0.00000
   1380       3.3354     -0.00000
   1381       3.3398     -0.00000
   1382       3.3594     -0.00000
   1383       3.3777     -0.00000
   1384       3.3909     -0.00000
   1385       3.4100     -0.00000
   1386       3.4163     -0.00000
   1387       3.4208     -0.00000
   1388       3.4332     -0.00000
   1389       3.4354     -0.00000
   1390       3.4511     -0.00000
   1391       3.4517     -0.00000
   1392       3.4670     -0.00000
   1393       3.4796     -0.00000
   1394       3.4942     -0.00000
   1395       3.5077     -0.00000
   1396       3.5306     -0.00000
   1397       3.5337     -0.00000
   1398       3.5500     -0.00000
   1399       3.5567     -0.00000
   1400       3.5665     -0.00000
   1401       3.5714     -0.00000
   1402       3.6091     -0.00000
   1403       3.6270     -0.00000
   1404       3.6320     -0.00000
   1405       3.6485     -0.00000
   1406       3.6661     -0.00000
   1407       3.6791     -0.00000
   1408       3.6897     -0.00000
   1409       3.7053     -0.00000
   1410       3.7237     -0.00000
   1411       3.7413     -0.00000
   1412       3.7480     -0.00000
   1413       3.7557     -0.00000
   1414       3.7610     -0.00000
   1415       3.7830     -0.00000
   1416       3.7940     -0.00000
   1417       3.8012     -0.00000
   1418       3.8150     -0.00000
   1419       3.8199     -0.00000
   1420       3.8322     -0.00000
   1421       3.8440     -0.00000
   1422       3.8690     -0.00000
   1423       3.8783     -0.00000
   1424       3.8870     -0.00000
   1425       3.9041     -0.00000
   1426       3.9144     -0.00000
   1427       3.9330     -0.00000
   1428       3.9393     -0.00000
   1429       3.9432     -0.00000
   1430       3.9458     -0.00000
   1431       3.9643     -0.00000
   1432       3.9753     -0.00000
   1433       3.9770     -0.00000
   1434       4.0059     -0.00000
   1435       4.0082     -0.00000
   1436       4.0113     -0.00000
   1437       4.0192     -0.00000
   1438       4.0400     -0.00000
   1439       4.0501     -0.00000
   1440       4.0560     -0.00000
   1441       4.0752     -0.00000
   1442       4.0783     -0.00000
   1443       4.0904     -0.00000
   1444       4.1082     -0.00000
   1445       4.1097     -0.00000
   1446       4.1202     -0.00000
   1447       4.1354     -0.00000
   1448       4.1392     -0.00000
   1449       4.1525     -0.00000
   1450       4.1617     -0.00000
   1451       4.1753     -0.00000
   1452       4.1818     -0.00000
   1453       4.1895     -0.00000
   1454       4.1966     -0.00000
   1455       4.2183     -0.00000
   1456       4.2251     -0.00000
   1457       4.2391     -0.00000
   1458       4.2527     -0.00000
   1459       4.2671     -0.00000
   1460       4.2803     -0.00000
   1461       4.2951     -0.00000
   1462       4.3059     -0.00000
   1463       4.3145     -0.00000
   1464       4.3440     -0.00000
   1465       4.3585     -0.00000
   1466       4.3692     -0.00000
   1467       4.3808     -0.00000
   1468       4.3826     -0.00000
   1469       4.3999     -0.00000
   1470       4.4042     -0.00000
   1471       4.4274     -0.00000
   1472       4.4294     -0.00000
   1473       4.4341     -0.00000
   1474       4.4387     -0.00000
   1475       4.4521     -0.00000
   1476       4.4708     -0.00000
   1477       4.4855     -0.00000
   1478       4.4887     -0.00000
   1479       4.5012     -0.00000
   1480       4.5085     -0.00000
   1481       4.5201     -0.00000
   1482       4.5336     -0.00000
   1483       4.5501     -0.00000
   1484       4.5528     -0.00000
   1485       4.5827     -0.00000
   1486       4.5909     -0.00000
   1487       4.5988     -0.00000
   1488       4.6041     -0.00000
   1489       4.6256     -0.00000
   1490       4.6325     -0.00000
   1491       4.6559     -0.00000
   1492       4.6655     -0.00000
   1493       4.6730     -0.00000
   1494       4.6895     -0.00000
   1495       4.7050      0.00000
   1496       4.7088      0.00000
   1497       4.7264      0.00000
   1498       4.7356      0.00000
   1499       4.7609      0.00000
   1500       4.7847      0.00000
   1501       4.7888      0.00000
   1502       4.7954      0.00000
   1503       4.8085      0.00000
   1504       4.8232      0.00000
   1505       4.8332      0.00000
   1506       4.8483      0.00000
   1507       4.8539      0.00000
   1508       4.8650      0.00000
   1509       4.8771      0.00000
   1510       4.8812      0.00000
   1511       4.8923      0.00000
   1512       4.8999      0.00000
   1513       4.9128      0.00000
   1514       4.9206      0.00000
   1515       4.9259      0.00000
   1516       4.9417      0.00000
   1517       4.9573      0.00000
   1518       4.9695      0.00000
   1519       4.9802      0.00000
   1520       4.9933      0.00000
   1521       5.0052      0.00000
   1522       5.0097      0.00000
   1523       5.0247      0.00000
   1524       5.0374      0.00000
   1525       5.0447      0.00000
   1526       5.0633      0.00000
   1527       5.0701      0.00000
   1528       5.0854      0.00000
   1529       5.0927      0.00000
   1530       5.0949      0.00000
   1531       5.1057      0.00000
   1532       5.1159      0.00000
   1533       5.1334      0.00000
   1534       5.1385      0.00000
   1535       5.1474      0.00000
   1536       5.1678      0.00000
   1537       5.1788      0.00000
   1538       5.1872      0.00000
   1539       5.1938      0.00000
   1540       5.2069      0.00000
   1541       5.2147      0.00000
   1542       5.2336      0.00000
   1543       5.2561      0.00000
   1544       5.2640      0.00000
   1545       5.2730      0.00000
   1546       5.2923      0.00000
   1547       5.2957      0.00000
   1548       5.3046      0.00000
   1549       5.3109      0.00000
   1550       5.3244      0.00000
   1551       5.3389      0.00000
   1552       5.3503      0.00000
   1553       5.3552      0.00000
   1554       5.3767      0.00000
   1555       5.3802      0.00000
   1556       5.3919      0.00000
   1557       5.4012      0.00000
   1558       5.4123      0.00000
   1559       5.4313      0.00000
   1560       5.4389      0.00000
   1561       5.4489      0.00000
   1562       5.4612      0.00000
   1563       5.4851      0.00000
   1564       5.4950      0.00000
   1565       5.5006      0.00000
   1566       5.5145      0.00000
   1567       5.5284      0.00000
   1568       5.5316      0.00000
   1569       5.5526      0.00000
   1570       5.5821      0.00000
   1571       5.5901      0.00000
   1572       5.6059      0.00000
   1573       5.6185      0.00000
   1574       5.6428      0.00000
   1575       5.6601      0.00000
   1576       5.6744      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.083  13.406  -0.001   0.001  -0.000  -0.000  -0.004   0.001
 13.406  17.823  -0.001   0.002  -0.000  -0.000  -0.006   0.001
 -0.001  -0.001  -4.232   0.001  -0.001   8.281  -0.002   0.001
  0.001   0.002   0.001  -4.233   0.002  -0.002   8.281  -0.002
 -0.000  -0.000  -0.001   0.002  -4.224   0.001  -0.002   8.269
 -0.000  -0.000   8.281  -0.002   0.001 -18.332   0.003  -0.002
 -0.004  -0.006  -0.002   8.281  -0.002   0.003 -18.328   0.003
  0.001   0.001   0.001  -0.002   8.269  -0.002   0.003 -18.314
 total augmentation occupancy for first ion, spin component:           1
  8.099  -3.605   0.288   0.115  -0.016   0.038   0.021  -0.005
 -3.605   1.678  -0.140  -0.083   0.003  -0.018  -0.012   0.003
  0.288  -0.140   1.675  -0.071   0.022   0.158  -0.010   0.004
  0.115  -0.083  -0.071   1.865  -0.109  -0.009   0.175  -0.017
 -0.016   0.003   0.022  -0.109   1.261   0.004  -0.017   0.079
  0.038  -0.018   0.158  -0.009   0.004   0.016  -0.001   0.001
  0.021  -0.012  -0.010   0.175  -0.017  -0.001   0.018  -0.002
 -0.005   0.003   0.004  -0.017   0.079   0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -62710.04968123303.10078 51720.91453-13495.79161  3903.66162 35591.06192
  Hartree -8731.90107152024.46319 89624.93644-13889.08383  1935.50140 30412.56368
  E(xc)  -10659.13401-10546.70578-10576.21677     2.40750     7.92685    24.11755
  Local   38210.87657************************ 27386.15543 -5850.97670-65574.64564
  n-local -5717.30467 -5778.37063 -5793.76664     2.50083     0.90250   -21.86536
  augment  1457.51490  1528.19352  1455.69613     5.12373    17.62254    -1.70373
  Kinetic 45389.32498 43002.16761 43439.63230   -30.68524   -51.87179  -570.20591
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      147.1857347   -692.9290627   -295.0137219    -19.3731894    -37.2335684   -140.6774807
  in kB       24.5443994   -115.5514677    -49.1958995     -3.2306344     -6.2089956    -23.4590959
  external PRESSURE =     -46.7343226 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.350E+03 -.102E+03 0.239E+03   0.350E+03 0.101E+03 -.240E+03   0.467E+00 -.205E+01 0.144E+01   0.324E-04 -.172E-04 0.478E-04
   -.313E+03 -.125E+03 0.300E+02   0.314E+03 0.125E+03 -.293E+02   -.149E+00 -.180E+01 0.842E+00   0.376E-04 0.140E-04 0.394E-05
   -.261E+03 -.143E+03 -.951E+01   0.261E+03 0.145E+03 0.115E+02   0.939E+00 -.168E+01 -.235E+01   0.934E-05 0.405E-04 0.896E-05
   -.320E+03 -.109E+03 0.359E+03   0.320E+03 0.109E+03 -.362E+03   0.834E-01 -.185E-02 0.243E+01   0.415E-05 -.252E-04 0.119E-03
   -.269E+03 -.164E+03 0.323E+03   0.269E+03 0.165E+03 -.324E+03   0.102E+00 -.969E+00 0.140E+01   -.346E-04 0.301E-04 0.115E-03
   -.231E+03 -.136E+03 0.172E+03   0.231E+03 0.136E+03 -.172E+03   0.310E+00 0.159E+00 0.387E+00   -.340E-04 0.684E-04 0.586E-04
   -.394E+03 -.119E+03 0.189E+03   0.396E+03 0.121E+03 -.194E+03   -.699E+00 -.405E+01 0.168E+01   0.525E-04 -.481E-04 -.234E-05
   -.297E+03 -.969E+02 -.505E+02   0.298E+03 0.100E+03 0.532E+02   -.761E+00 -.422E+01 0.838E+00   0.593E-04 0.113E-04 -.261E-04
   -.168E+03 0.259E+01 0.209E+03   0.168E+03 -.288E+01 -.209E+03   -.244E+00 -.397E+00 0.143E+00   -.582E-04 0.103E-03 0.359E-04
   -.153E+03 0.972E+02 0.758E+02   0.153E+03 -.989E+02 -.749E+02   0.551E+00 0.171E+01 -.154E+01   -.197E-04 0.881E-04 -.322E-04
   -.177E+03 0.133E+03 0.139E+03   0.177E+03 -.133E+03 -.139E+03   0.971E+00 0.148E+01 0.163E+01   -.843E-05 0.108E-03 -.419E-04
   -.175E+03 0.743E+01 0.346E+03   0.175E+03 -.752E+01 -.347E+03   -.233E+00 0.306E+00 0.164E+01   -.994E-04 0.132E-03 0.983E-04
   -.181E+03 -.182E+02 0.381E+03   0.182E+03 0.188E+02 -.384E+03   -.566E+00 -.103E+01 0.259E+01   -.738E-04 0.142E-03 0.689E-04
   -.208E+03 0.548E+02 0.319E+03   0.209E+03 -.544E+02 -.320E+03   0.128E+00 0.131E+01 0.164E+01   -.613E-05 0.113E-03 -.328E-05
   -.233E+03 0.998E+02 0.313E+03   0.235E+03 -.100E+03 -.319E+03   -.149E+01 0.386E+01 0.304E+01   0.388E-04 0.586E-04 -.387E-04
   -.222E+03 0.170E+03 0.442E+02   0.224E+03 -.176E+03 -.431E+02   -.478E-01 0.447E+01 0.277E+01   -.448E-05 0.110E-03 -.127E-03
   -.204E+03 0.155E+03 0.444E+02   0.206E+03 -.152E+03 -.406E+02   0.198E+00 -.514E+01 -.482E+01   0.286E-04 -.705E-04 -.120E-03
   -.131E+03 0.240E+03 -.183E+03   0.132E+03 -.243E+03 0.186E+03   0.849E+00 0.173E+01 -.274E+01   0.258E-04 -.444E-05 -.398E-04
   -.109E+03 0.179E+03 -.207E+03   0.110E+03 -.180E+03 0.211E+03   0.108E+01 0.992E+00 -.623E+01   0.168E-04 0.108E-04 0.874E-04
   -.209E+03 0.147E+03 0.180E+03   0.212E+03 -.146E+03 -.184E+03   -.102E+01 -.962E+00 0.371E+01   0.497E-04 -.886E-04 -.885E-04
   -.166E+03 0.108E+03 0.112E+01   0.166E+03 -.109E+03 -.126E+00   0.117E+01 0.203E+01 -.134E+01   0.418E-04 -.550E-04 -.174E-04
   -.123E+03 0.563E+02 -.164E+03   0.123E+03 -.563E+02 0.165E+03   0.386E+00 0.116E+01 -.614E+00   0.233E-04 0.334E-05 0.843E-04
   -.118E+03 -.286E+02 -.248E+03   0.118E+03 0.286E+02 0.247E+03   -.629E-01 -.144E+01 0.620E+00   -.117E-04 -.330E-05 0.148E-03
   -.591E+02 -.798E+02 -.331E+03   0.601E+02 0.822E+02 0.331E+03   -.120E+01 -.295E+01 0.874E+00   -.394E-04 0.181E-04 0.193E-03
   -.344E+02 -.149E+03 -.411E+03   0.342E+02 0.150E+03 0.413E+03   0.263E+00 -.776E+00 -.209E+01   -.113E-03 -.831E-05 0.222E-03
   -.194E+03 -.174E+03 -.239E+03   0.196E+03 0.175E+03 0.235E+03   -.149E+01 -.120E+01 0.523E+01   -.284E-04 -.371E-04 0.104E-03
   -.138E+03 -.316E+03 -.259E+03   0.138E+03 0.317E+03 0.259E+03   0.221E-01 -.110E+01 0.768E+00   -.802E-04 -.527E-04 0.130E-03
   -.700E+02 -.267E+03 -.352E+03   0.703E+02 0.268E+03 0.352E+03   -.285E+00 -.109E+01 -.293E+00   -.134E-03 -.463E-04 0.195E-03
   -.301E+02 0.137E+02 -.336E+03   0.339E+02 -.367E+01 0.334E+03   -.434E+01 -.859E+01 0.397E+01   0.478E-06 0.647E-04 0.185E-03
   -.195E+03 0.457E+02 0.430E+02   0.193E+03 -.563E+02 -.406E+02   0.252E+01 0.886E+01 -.373E+01   0.658E-05 -.262E-04 -.253E-04
   -.152E+03 -.399E+02 -.525E+02   0.151E+03 0.394E+02 0.540E+02   0.143E+00 -.142E+01 -.240E+01   0.390E-04 0.717E-04 -.789E-04
   -.104E+03 -.145E+03 0.100E+03   0.104E+03 0.146E+03 -.100E+03   -.135E+00 -.179E+01 -.178E+01   -.109E-04 0.717E-04 -.786E-04
   -.137E+03 -.150E+03 0.140E+03   0.136E+03 0.153E+03 -.140E+03   -.196E+00 -.210E+01 0.129E+01   0.362E-05 0.644E-04 -.102E-03
   -.287E+03 0.300E+01 -.148E+03   0.286E+03 -.469E+01 0.151E+03   0.918E+00 0.200E+01 -.313E+01   0.749E-04 0.676E-04 -.584E-04
   -.294E+03 -.734E+02 -.185E+03   0.294E+03 0.736E+02 0.186E+03   0.452E+00 -.600E-01 -.164E+01   0.631E-04 0.424E-04 -.480E-04
   -.216E+03 -.588E+02 -.361E+02   0.216E+03 0.594E+02 0.366E+02   0.251E+00 0.103E+00 -.308E+00   0.421E-04 0.439E-04 -.813E-04
   -.459E+02 -.432E+02 -.366E+02   0.438E+02 0.428E+02 0.427E+02   0.661E+00 -.378E+01 -.357E+01   0.383E-04 0.333E-04 -.996E-04
   -.722E+01 -.171E+03 0.133E+03   0.560E+01 0.177E+03 -.134E+03   0.137E+01 -.403E+01 -.267E+01   -.541E-04 0.586E-04 -.641E-04
   -.170E+03 0.642E+02 -.491E+02   0.170E+03 -.644E+02 0.497E+02   -.561E-01 -.480E+00 -.327E+00   0.613E-04 0.266E-04 -.853E-04
   -.644E+02 0.914E+02 0.152E+03   0.641E+02 -.933E+02 -.154E+03   -.152E+01 0.176E+01 0.213E+01   0.752E-04 0.467E-04 -.124E-03
   0.170E+02 0.790E+02 0.860E+02   -.194E+02 -.803E+02 -.861E+02   0.457E+00 0.287E+01 -.134E+01   0.124E-03 0.646E-04 -.141E-03
   -.198E+03 0.868E+02 -.246E+03   0.198E+03 -.876E+02 0.247E+03   0.354E+00 0.101E+01 -.129E+01   0.761E-04 0.245E-05 -.496E-04
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 -----------------------------------------------------------------------------------------------
   -.317E+02 -.143E+02 0.147E+02   -.118E-10 -.176E-11 -.159E-11   0.318E+02 0.143E+02 -.147E+02   -.199E-04 -.163E-02 -.981E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.58065      3.19610      1.37974         1.022476     -2.569517     -0.042747
     12.36765      3.63502      2.69116         1.142984     -1.540095      1.576295
     12.39227      5.01270      3.01625         1.749749      0.165541     -0.345585
     12.78713      4.09996      0.34617         0.319927      0.146113      0.080122
     12.84618      5.46396      0.64461         0.081841     -0.286805      0.610782
     12.67492      5.94923      1.97361         0.333717      0.772612      0.255257
     12.54007      1.65680      1.28711         1.730532     -2.216510     -2.861023
     12.13659      2.40042      3.61470         0.463352     -0.648452      3.530720
     12.81692      7.46407      2.20970         0.028710     -0.694018     -0.348524
     12.66304      8.05712      3.49537         0.720052     -0.000242     -0.622031
     12.86991      9.44055      3.62854         0.909848      0.832647      1.703270
     13.14220      8.31016      1.09334        -0.180601      0.213521      0.718086
     13.32540      9.69859      1.25026         0.013254     -0.444247      0.007688
     13.21213     10.24055      2.53202         1.071328      1.732784      0.520333
     13.40274     11.72492      2.97130         0.471529      3.394188     -3.120563
     12.79553     10.30652      4.90867         1.777098     -1.095282      3.886078
     13.26723     12.92944      5.37129         2.281161     -2.146977     -0.963471
     12.98217     12.81125      6.73723         1.405587     -0.510315     -0.083584
     13.10270     13.90049      7.56755         1.995770     -0.391630     -1.580581
     13.64301     14.20048      4.85875         1.565829     -0.067275      0.233893
     13.74256     15.31747      5.70310         1.143980      0.235396     -0.345621
     13.46722     15.17310      7.09099         0.835729      1.095985      0.663404
     13.59745     16.34728      8.04856         0.361119     -1.499712     -0.409314
     13.18883     16.20576      9.39529        -0.150502     -0.539212      0.275805
     13.34889     17.26184     10.29888         0.002446      0.029509      0.035139
     14.12293     17.58951      7.63174         0.894038     -0.256305      1.986910
     14.28094     18.64005      8.53048         0.335285     -0.156567      0.684527
     13.90841     18.47252      9.86979         0.082979     -0.046160     -0.062980
     12.56558     14.89970      9.87473        -0.510109      1.410879      1.526676
     14.14858     16.68351      5.12299         0.773219     -1.794493     -1.301887
      9.74510      3.84569      4.84554        -0.297809     -1.953226     -0.874721
     10.01403      4.77726      3.85250        -0.794781     -0.745833     -1.974085
     10.09541      6.13375      4.14983        -0.585733      0.289156      0.699909
      9.55069      4.20871      6.16775         0.173224      0.310444      0.146191
      9.66034      5.55125      6.50636         0.279755      0.135122     -0.568497
      9.96725      6.53505      5.51005        -0.152017      0.727273      0.176157
      9.69480      2.43688      4.28842        -1.431683     -4.223664      2.566202
     10.19396      4.06085      2.48053        -0.241888      1.859818     -4.224577
     10.13140      7.99000      5.90924        -0.412474     -0.645491      0.278550
     10.51924      8.94268      4.94030        -1.840636     -0.190159      0.111521
     10.64349     10.27042      5.32326        -1.951250      1.536679     -1.430463
      9.90131      8.41112      7.26314         0.335328      0.247288     -0.580862
     10.04180      9.76760      7.62582        -0.107826     -0.276496     -0.257585
     10.39208     10.69080      6.63549        -0.886633      2.515503      0.534910
     10.56812     12.21509      6.75199        -1.404772      1.917661      3.396341
     11.05758     11.48549      4.45875        -0.494689      1.149697     -2.845901
     11.26743     14.10582      4.96770        -2.219345     -1.263491     -0.066813
     11.67523     14.42944      3.65980        -1.487774     -0.253100     -0.028115
     11.92630     15.74852      3.32173        -0.777874     -0.655993      1.547276
     11.12467     15.12012      5.91764        -1.165341     -0.051347      0.138156
     11.31243     16.45572      5.55626        -1.332633      0.340047     -0.120932
     11.72584     16.78433      4.23441        -1.715133      1.082853     -0.728545
     11.96910     18.24053      3.84046        -0.150178     -0.661522     -0.314526
     12.32522     18.59337      2.52095         3.358156      0.492027      1.118132
     12.37559     19.94029      2.13789         1.771494      0.601959      0.410670
     11.82234     19.26974      4.78174         0.355387      1.145420     -1.884030
     11.92800     20.60324      4.43414         0.416030      0.605153     -0.244344
     12.18641     20.95647      3.10149         1.286922      1.339548     -0.275156
     12.61296     17.48660      1.43570         3.077348      0.540832     -1.381128
     11.06598     17.55593      6.61097        -1.360554     -1.498556      0.979378
      9.73530      7.21996     14.53016         2.805702     -4.171613     -0.149559
      9.59539      7.67329     15.85226         1.292363     -2.248267      1.697743
      9.72015      9.04752     16.18902         2.098394      0.370965     -0.454611
      9.98802      8.13224     13.48784         0.951848      0.332883      0.184097
     10.11455      9.50789     13.79609         0.523064     -0.531607      0.693076
      9.98318      9.98435     15.15607         0.705067      0.781419      0.148454
      9.54205      5.71501     14.47054         2.898968     -0.916045     -0.470806
      9.32552      6.46963     16.78441         2.046698     -0.657235      3.700859
     10.14214     11.49098     15.45945         0.060082     -0.804697     -0.064217
     10.00540     12.02303     16.78250         1.065116     -0.139580     -0.733708
     10.15605     13.41076     16.97372         1.050376      0.725174      1.819034
     10.44225     12.39146     14.38330        -0.153490      0.057018      0.651612
     10.59127     13.76499     14.60587         0.042914     -0.377956     -0.185084
     10.42828     14.25371     15.90007         0.877999      1.720873      0.647640
     10.50192     15.73130     16.34820         0.253858      3.712265     -3.107881
     10.04747     14.24499     18.29806         0.543188     -1.356963      4.303395
     10.26239     16.95497     18.78657         1.352346     -1.679768     -0.730210
     10.06993     16.83609     20.17688         0.353114     -0.185527     -0.708763
     10.03027     17.97286     20.97645        -0.250486     -0.182542     -2.666528
     10.43537     18.25774     18.23426         1.382068     -0.106598      0.346157
     10.41616     19.40513     19.05583         0.994818      0.346819     -0.232892
     10.22277     19.26902     20.45938         0.183385      1.363125      0.478439
     10.22804     20.47506      0.12279         0.405248     -1.682916     -0.910423
      9.96075     20.30990      1.50032        -1.156347     -0.120672      0.082037
      9.92808      0.13793      2.35146        -1.552161     -0.155557      0.021060
     10.48911      0.51744     20.91519         1.999906     -0.552557      2.436619
     10.42888      1.62331      0.50743        -1.062792      0.503173      0.473407
     10.12197      1.43686      1.85599        -1.679535      1.745453      0.518639
      9.69369     18.94075      2.08018        -1.938993      2.547012      1.727372
     10.61254     20.78639     18.42027         1.943334     -1.802682     -0.688974
      7.24821      7.59136     17.57540        -1.208926     -1.374390     -0.781445
      7.53129      8.52189     16.58756        -2.267039     -0.242541     -1.491726
      7.62452      9.89996     16.88058        -1.569320      0.390589      0.838576
      7.06301      7.97429     18.90547        -0.032484      0.674889      0.262112
      7.09764      9.33604     19.22090         0.241968     -0.133751     -0.584181
      7.38153     10.32991     18.22226        -0.217785      0.799324      0.050451
      7.16956      6.15760     16.99321        -2.469699     -3.290222      1.790890
      7.70979      7.78393     15.21400        -1.023369      1.267287     -3.136991
      7.38894     11.82591     18.63738        -0.230943     -0.795741      0.081798
      7.74632     12.86068     17.72291        -1.510934     -0.024286      0.287935
      7.73275     14.19246     18.17115        -0.872468      1.616573     -1.553750
      7.02306     12.19196     19.97858         0.679267      0.016638     -0.980286
      7.00023     13.54170     20.39086         0.281679     -0.374877     -0.322146
      7.34919     14.52090     19.47583        -0.498960      2.279400      0.345987
      7.38745     16.04643     19.70054        -1.097972      2.139799      3.309258
      8.09491     15.48221     17.40550        -0.054805      0.937318     -2.586874
      8.06534     18.12509     18.07735        -1.935248     -1.430704      0.217668
      8.64695     18.50680     16.85531        -1.674529     -0.544799     -0.214944
      8.84569     19.84581     16.56204        -1.006969     -1.539630      1.678681
      7.70566     19.12471     19.00541        -0.826896     -0.616660     -0.012978
      7.89963     20.48308     18.69611        -1.893262     -0.510778     -0.616876
      8.44337     20.86735     17.44655        -3.192381      0.665627     -1.060809
      8.68585      1.09451     17.07002        -1.068442     -0.972433     -0.658388
      8.95578      1.44017     15.73675         0.490260     -0.548928     -0.070035
      9.16214      2.77855     15.36869         0.729865      0.074397      0.004130
      8.62081      2.13612     18.03226         0.929808      1.554286     -1.574502
      8.81728      3.46406     17.67484         0.478197      0.238448     -0.168879
      9.08704      3.80524     16.32571         1.286814      1.583110     -0.283489
      9.03054      0.36066     14.66365         2.300144      1.256401     -0.594662
      7.49273      0.28684     19.72014        -2.415093     -1.321558      0.323114
      7.06132     10.86611      6.11200        -0.385383     -2.075077     -0.209799
      6.85893     11.34197      7.40954        -0.485430     -1.179680      1.372203
      6.96980     12.70412      7.71373         0.064895      0.034979     -0.443688
      7.39830     11.72426      5.07231        -0.040239      0.272223      0.063626
      7.53242     13.09514      5.34878        -0.263494     -0.148032      0.693000
      7.29977     13.61327      6.66214         0.136902      0.661295     -0.064477
      6.87001      9.33120      6.04767         0.396239     -2.584845     -2.987034
      6.51439     10.15597      8.35525        -0.602553     -0.365701      3.707821
      7.42067     15.12619      6.89857        -0.028541     -0.669791     -0.175089
      7.12094     15.72714      8.15967         0.088518      0.069717     -0.461100
      7.23636     17.12015      8.28713        -0.371972      0.895158      1.683448
      7.82745     15.96404      5.81191        -0.339310      0.088407      0.689604
      7.93545     17.35401      5.96673        -0.572733     -0.320582      0.014576
      7.66428     17.91289      7.21806        -0.172119      2.111414      0.497294
      7.76826     19.40626      7.64035         1.038592      3.408886     -2.238142
      6.96638     18.01475      9.53347        -0.288234     -0.869502      3.446442
      7.26742     20.68897     10.00578         1.080550     -1.501310     -1.053202
      6.77016     20.60143     11.31963         2.121414      0.248317     -0.299593
      6.73977      0.46207     12.13756         0.734694      0.212122     -3.458622
      7.70724      0.68838      9.54089         0.261568     -0.208218      0.045288
      7.66743      1.82695     10.38014         0.700167      0.061870     -0.185166
      7.22190      1.71529     11.72710         0.549677      1.726812      0.314165
      7.25531      2.92384     12.69460         0.453468     -1.965801     -0.666066
      6.87524      2.78141     14.06072        -0.254312      0.033970      0.110408
      6.94942      3.87395     14.94338        -0.762384      0.326993     -0.170728
      7.67957      4.19481     12.26003         0.765627     -1.302727      2.142634
      7.74327      5.31218     13.15059         1.007407      0.023296      1.191494
      7.36546      5.14304     14.50574        -2.249142      1.748779      1.128945
      6.39057      1.45032     14.58924        -0.835741      3.092365      1.009388
      8.13057      3.16848      9.83616         1.568407     -2.327150     -0.951900
      4.04313     11.52778     10.79625        -0.213516     -1.913831     -0.460071
      3.75099     12.41753      9.75534        -0.456911     -0.711596     -1.645487
      3.81980     13.80690      9.94636         0.186697     -0.208275      0.401426
      4.37212     11.98756     12.07617        -0.006962      0.294924     -0.142366
      4.42956     13.37844     12.30050        -0.147210     -0.049198     -0.773737
      4.17806     14.30895     11.23824        -0.025699      0.552993      0.287488
      3.93208     10.05468     10.30683         0.474250     -3.635061      2.047782
      3.37111     11.61795      8.45660        -1.244971      1.188863     -3.769466
      4.28437     15.81783     11.50051        -0.105597     -0.766586      0.167347
      4.18694     16.74376     10.42965        -0.551312     -0.222139      0.456610
      4.36396     18.10225     10.69910        -1.196537      1.514097     -1.325676
      4.52392     16.31049     12.82848         0.224522      0.052121     -0.814827
      4.66980     17.68897     13.06823         0.644916     -0.562708     -0.586360
      4.57549     18.56624     11.99656        -0.592341      2.143819      0.065601
      4.71021     20.08606     12.00818        -0.423160      1.101343      2.675899
      4.37320     19.28690      9.70030        -0.958033      0.282165     -4.163945
      4.77488      0.71232     10.07138        -0.949342     -1.548682      0.334904
      5.01053      1.00052      8.71394        -0.373728     -0.313561      0.431481
      5.31268      2.30632      8.32051        -0.750689     -0.831631      1.830382
      4.76890      1.77014     11.00387        -0.721670     -0.095653     -0.125792
      5.00971      3.09493     10.59977        -1.098561      0.391099      0.114922
      5.32794      3.36521      9.23673        -1.136356      0.291540     -0.419920
      5.70637      4.81416      8.76837         2.527950     -0.565788     -0.928437
      6.06471      5.07962      7.44697         2.191303      0.073048     -0.005131
      6.34812      6.40301      7.03345         1.150089      0.780138      0.522690
      5.66063      5.91000      9.68815         3.347310      1.754358     -1.481571
      5.89604      7.19893      9.27996         1.169329      0.505689     -0.118743
      6.24545      7.46891      7.93267         0.841346      1.376986     -0.747345
      6.15698      3.92773      6.41571         1.626158      1.001431     -1.528326
      4.92157      4.21287     11.64985        -2.666269     -2.169381      0.871911
      1.51085     14.39223      0.53909        -0.733592     -2.513012      0.601812
      1.94384     14.79351      1.80878        -0.001860     -1.246209      2.239011
      1.81510     16.16860      2.21214        -0.768866     -0.212943     -0.574891
      0.96970     15.30751     20.88759        -2.557280      0.995144      0.993145
      0.90158     16.64461     21.21492        -0.268895      0.060126      0.732978
      1.28293     17.12675      1.24639        -0.174919      0.544794      1.006748
      1.69826     12.90054      0.32435        -1.693032     -1.454154     -0.232052
      2.51694     13.50965      2.56995         1.435786      0.271058      4.351102
      1.09860     18.65452      1.49324        -0.093596     -1.053420     -0.197533
      1.45780     19.29909      2.71725        -0.494615     -0.096746     -0.522800
      1.33902     20.69402      2.78735         0.111757      0.786800      1.732832
      0.56263     19.46871      0.42039         0.214098     -0.322489      0.769334
      0.43505     20.85290      0.53792        -0.397842     -0.597037     -0.016219
      0.84866      0.18837      1.71722        -0.796497      1.875358      0.884640
      0.85317      1.68611      2.03583        -1.574230      3.251022     -2.106713
      1.70127      0.37755      3.95676         1.533668     -0.899843      3.952840
      1.59233      3.03301      4.19359        -0.426963     -1.208991     -1.035655
      2.13961      2.96305      5.46920        -0.246504     -0.471133     -0.324228
      2.38612      4.12029      6.16568        -1.942536      0.149948     -1.784442
      1.25856      4.28300      3.63400        -0.689742     -0.021257      0.088799
      1.51326      5.46423      4.34540        -0.441953      0.108401      0.056330
      2.13443      5.39201      5.62708        -0.219712      1.356231      0.570546
      2.49708      6.63567      6.42611        -1.843265     -1.485506      0.771363
      3.06753      6.51142      7.69673        -0.314793     -0.295384      0.008250
      3.38165      7.64273      8.45887        -0.354123      0.516320      0.375622
      2.28462      7.95195      5.92131        -1.639547      1.058663      3.360566
      2.63653      9.07807      6.65460        -0.165013      0.359582      0.621292
      3.15581      8.93158      7.96215         0.443636      1.453071      1.118576
      3.33183      5.14514      8.28908        -0.971578      2.399000      0.554496
      1.10267      6.80849      3.73256        -2.864826     -2.195374      0.029121
      4.61991     14.06479      0.77997        -0.280249     -1.892194     -0.640103
      3.80899     14.97862      0.08649         0.055717     -0.146713     -2.006737
      3.81321     16.37542      0.41971         1.539536     -0.213540     -0.008165
      5.45396     14.49057      1.83130        -0.322811      0.708113      0.209849
      5.46506     15.85797      2.19592        -0.634206     -0.108514     -0.700473
      4.66491     16.83935      1.49488         0.073087      0.528820      0.019350
      4.45334     12.60802      0.21671         2.027052     -3.081254      1.086474
      2.98050     14.19315     20.25035        -0.563062      1.449752     -3.164324
      4.76085     18.36501      1.94009        -0.032149     -0.724143     -0.303896
      4.02033     19.43107      1.29839         0.890545     -0.105003      0.446412
      4.16507     20.75942      1.78022        -0.715872      1.157602     -1.006799
      5.63121     18.71829      3.03703        -0.662868      0.311165     -0.627130
      5.76184     20.05445      3.47826        -0.090769     -0.453121     -0.181651
      5.02530     21.05412      2.84282         0.019560      1.956207      0.420431
      5.02845      1.32000      3.16834         2.187464      2.214974      2.798452
      3.47325      0.83242      1.28689        -1.813287      0.806262     -3.328103
      3.67269      3.48297      2.15861         0.924026     -1.101018     -0.218464
      2.84833      4.01877      1.13945         0.701066      0.052442      0.264402
      2.63031      5.41938      1.06652         0.500463     -2.096595      2.283340
      4.20495      4.36827      3.13501         0.179117     -0.162807     -0.317032
      3.96587      5.76798      3.07159         0.570391     -0.488641     -0.483658
      3.22685      6.32550      1.98946         1.303317      0.386522     -1.516296
      3.05336      7.92725      1.86587         2.864564     -0.384334     -2.937773
      2.35730      8.48007      0.79164        -0.105211      0.520200     -0.201520
      2.16534      9.89046      0.69204        -0.374864      0.400853      0.796828
      3.56759      8.85480      2.87569         1.545640      2.963537     -2.919433
      3.34154     10.23195      2.80145        -0.008885      0.020048     -0.428461
      2.62259     10.78002      1.69902        -0.953308      1.096977     -0.612860
      1.82370      7.54465     20.99074        -0.503007      0.967994      2.145270
      4.54066      6.68080      4.15115         1.761472     -2.044339     -0.779487
     18.36601     17.35287     13.24138        -0.438783     -2.197414      0.201482
     19.47477     17.84989     13.93118         0.301275     -1.753374      2.069442
     19.66353     19.22744     14.11565        -1.286598      0.073365      0.840949
     17.42736     18.21558     12.66431         0.139015      0.384249      0.137407
     17.59814     19.60365     12.83376         0.480730     -0.396020      0.362366
     18.69361     20.12285     13.59886        -0.431654      0.615616      0.196946
     18.38887     15.79371     13.23571        -3.136273     -2.623188     -1.817758
     20.35850     16.68457     14.40609         1.066781     -0.445819      1.847624
     18.80048      0.35439     13.85787        -0.178845     -0.684830     -0.252558
     19.89262      0.90325     14.59067        -0.506777     -0.048584     -0.141200
     19.89920      2.26824     14.85889         1.489317      1.173163      1.369238
     17.76607      1.21979     13.39021         0.541929     -0.159855      0.270657
     17.78326      2.58045     13.69410         0.015089     -0.041436     -0.005219
     18.84729      3.08339     14.43452         0.111990      2.255702      0.625476
     19.05570      4.52855     14.88574        -2.763869      3.519693     -0.599118
     20.92845      3.11570     15.63414        -0.051690     -0.485913      3.239940
     21.02308      5.74572     16.31656        -3.014216     -2.097384      1.741968
      1.07462      5.64224     16.86338        -1.794722     -0.027308      2.632247
      1.69871      6.76393     17.41246        -3.504422      0.386969     -1.291943
     20.37867      6.99045     16.36481        -0.514390     -0.599473      0.699852
     20.97094      8.10903     17.01056        -1.071706      0.354644      1.660588
      1.01979      8.00036     17.55556        -0.930685      1.383792      0.894958
      1.68135      9.23112     18.24840        -0.576345     -0.614945     -1.697898
      2.93928      9.09724     18.95056         2.024278      0.657206     -0.086358
      3.46480     10.19517     19.65393         0.732112     -0.554952     -0.279625
      1.06259     10.44279     18.29447        -0.496054     -2.989480      5.631433
      1.67987     11.62558     18.85348         0.714739      0.776274      2.526512
      2.85446     11.47359     19.60436         4.275257      1.573416     -0.318747
      3.67084      7.76544     18.94464         2.214541      2.454197      0.118749
     20.18213      9.40095     17.09370        -1.948750     -2.755218      0.871121
      2.08866     18.14823     14.11315        -0.238830     -1.845211     -0.736059
      1.24286     19.10823     13.56424        -1.186739     -0.896861     -1.569919
      1.40119     20.46347     13.84701         0.553639      0.037053      0.131872
      3.17479     18.50693     14.91550        -0.673630      0.769832      0.828934
      3.41018     19.88056     15.15279        -0.925340      0.009754     -0.193507
      2.49934     20.88061     14.64264         0.215090      0.772292      0.425061
      1.62315     16.72950     13.71726         1.292358     -3.936661      2.986942
      0.17295     18.43798     12.66656        -1.655445      1.378683     -3.653426
      2.69779      1.11101     14.94292        -0.168917     -0.752070     -0.283493
      1.75988      2.06220     14.46826         1.774330     -0.810145     -0.897636
      1.93493      3.42726     14.81695         0.302642      2.247267     -1.903060
      3.81547      1.56171     15.73459        -1.854484      0.362035      0.941386
      3.97095      2.91760     16.05664        -0.294153     -0.503964      0.193971
      3.02064      3.83431     15.58792         0.883352      2.644516     -0.354657
      2.99203      5.33991     15.80894         4.679990      0.914338      0.624861
      1.04661      4.64228     14.45085        -0.958456      0.974023     -4.403309
      1.22689      7.28190     15.02967         2.215350     -1.089697     -3.157512
      0.04108      7.57786     14.35854         1.036378     -0.485161     -0.704099
     20.83565      8.88664     14.29294         1.941552     -0.369989      0.157783
      1.93614      8.31903     15.66843         0.903680     -0.014919     -1.417978
      1.49300      9.65080     15.56384         1.634243      0.559855     -1.778272
      0.29020      9.93842     14.84179         1.366575      1.052696     -2.540041
     21.02486     11.38321     14.69054         0.051078     -0.727793     -0.485607
     19.77268     11.62664     14.07779        -0.965711     -0.122179      2.264407
     19.33757     12.93424     13.85445        -0.762728      0.331768      0.934626
      0.51184     12.48455     15.15141        -1.628272      0.810871     -0.603843
      0.06807     13.78510     14.95117        -0.589032      0.257808      0.646940
     20.11829     14.01630     14.27277        -0.867664      1.362233      0.793694
     18.86316     10.45347     13.58962        -2.582045      0.721923      0.291044
      2.31218     10.73621     16.21531         2.054177     -2.578719     -2.437818
     16.21863      0.46668      5.08763        -0.148815     -2.222728     -0.182719
     17.12748      0.96987      6.01956         0.360832     -1.428461      1.452865
     17.17271      2.32842      6.33198        -0.941636      0.056245      0.323404
     15.27555      1.28418      4.48300         0.071489      0.265303      0.010273
     15.30470      2.65869      4.76303         0.648779      0.004560      0.529295
     16.25787      3.20689      5.67766        -0.348330      0.756221     -0.098720
     16.42635     20.21568      4.87872        -2.210058     -2.779873     -2.133437
     18.00694     21.08022      6.55713         0.728684     -0.731993      3.037642
     16.27665      4.71642      5.94149        -0.266008     -0.603797     -0.265501
     17.19368      5.29470      6.86570        -0.438996      0.053905     -0.154042
     17.14887      6.67640      7.08494         1.176281      0.913641      1.212553
     15.35338      5.57400      5.25263         0.551183      0.111278      0.512406
     15.33824      6.96502      5.48867         0.103679     -0.449126      0.025608
     16.24030      7.49677      6.41069         0.127881      2.087672      0.499796
     16.41352      8.98252      6.84555        -2.046282      3.544813     -1.298230
     18.01621      7.52661      8.04617         2.057988     -1.052624      3.282225
     18.10336     10.18119      8.60069        -1.415170     -1.304517     -0.346397
     19.14679     10.02895      9.51663        -1.903373     -0.037932      0.340746
     19.65165     11.12598     10.19868        -2.014409      0.260287     -1.363910
     17.58438     11.47198      8.36759        -0.289424      0.155190      0.089325
     18.09831     12.58750      9.05740        -0.665247      0.144627      0.063949
     19.15375     12.42214     10.00030        -0.251762      1.355926      0.951499
     19.74302     13.61233     10.76389        -0.858006     -1.567673     -0.281690
     20.84918     13.42471     11.63330         0.544129      0.270612     -0.304501
      0.20194     14.50755     12.25396         0.914491     -0.063043     -0.908679
     19.23455     14.91715     10.61493         0.088615     -0.968698      3.447077
     19.83915     16.02652     11.27348        -0.116194      0.112046      2.237878
     20.97607     15.81175     12.06555         1.538575      1.579866     -0.803790
      0.15795     12.04249     11.89445         2.476345      2.938238      0.444836
     17.51861     13.97779      8.77272        -1.517976     -1.555486     -0.961652
     20.09335      1.25690      6.28801         1.044258     -1.150188     -1.565217
     19.57906      2.29661      5.53377        -0.251573     -0.494024     -2.163093
     19.75176      3.62095      5.92091         0.712347      0.383416      0.429542
     20.78295      1.48473      7.48951         0.774001      0.844478     -0.056942
     20.95642      2.80592      7.91133        -0.406413     -0.097619     -0.551172
     20.44906      3.89767      7.12238         0.070777      0.699088      0.228553
     19.77197     21.15829      5.61281         2.532534     -3.724669     -0.163960
     18.84463      1.76110      4.27776        -1.566647      2.010588     -3.721481
     20.65159      5.33823      7.56229         0.256152     -0.710714      0.074387
     20.20026      6.38159      6.72027         0.642036     -0.154276     -0.057251
     20.39958      7.69826      7.11248         0.393096      1.712797     -1.730992
      0.03794      5.66615      8.80353        -0.786079      0.516400     -0.458477
      0.23925      7.01233      9.17707         0.170073     -0.233101     -0.440027
     21.02534      8.01629      8.31926         1.122295      1.916670     -0.258237
     21.07768      9.54918      8.49499         2.251658      1.007284      1.705466
     19.98142      8.98222      6.36113        -1.712626      0.760354     -3.687957
     20.18024     11.61170      6.95917         0.518117     -1.618431      0.220761
     19.39384     11.97907      5.85604         0.340532     -0.468461      0.239428
     19.07453     13.31623      5.63935         0.982613     -0.688726      1.469839
     20.71149     12.62569      7.79609         0.504381      0.012066     -0.375714
     20.43534     13.98224      7.53977         1.270596     -0.156874     -0.576464
     19.54717     14.33746      6.47416         0.942436      1.148975     -1.015192
     19.10662     15.79792      6.25361         0.587254     -1.137790     -0.731591
     18.23153     16.12669      5.18497         0.108291     -0.390915     -0.283884
     17.73509     17.43125      5.05794         0.337103      0.345844     -0.405456
     19.52162     16.83693      7.11950        -1.477299      0.734456     -1.082298
     19.05009     18.13404      6.97484        -0.774537     -0.183198      0.375784
     18.12199     18.43741      5.95695        -0.817824      1.300170     -0.197046
     17.80502     15.07162      4.14981        -0.660053      1.678657     -0.812192
     21.08177     15.07363      8.41870         2.129207     -1.840080     -1.159990
     12.17879      5.34164      4.03703         0.631247     -0.201053     -0.256112
     12.89966      3.73634     20.58875         0.085917     -0.031253     -0.203897
     13.02651      6.17733     21.09889        -0.058530     -0.283128     -0.013280
     12.38625      7.45767      4.36833         0.262952      0.087657     -0.162359
     13.25718      7.85818      0.09749        -0.012810      0.424924      0.340834
     13.55147     10.34833      0.40149         0.045697     -0.082614      0.043033
     12.90436     13.77136      8.61752         1.785751     -1.752235     -2.833913
     12.67145     11.84523      7.12910         0.514067     -0.093813      0.117279
     13.85606     14.29725      3.79805         0.453555     -0.216270      0.114663
     13.03365     17.13651     11.33490         0.012069      0.022489     -0.020182
     14.38788     17.73066      6.59325         0.033467      0.924070      2.836323
     14.69851     19.59422      8.18861        -0.064098     -0.118674      0.031363
     10.24438      6.85901      3.34776        -0.031446     -0.100157      0.080231
      9.32054      3.44711      6.90054         0.290400      0.131948     -0.307106
      9.50848      5.85496      7.54690         0.083947     -0.105733     -0.205653
     10.73624      8.65225      3.91395        -0.628321      0.219800      0.237561
      9.60800      7.67067      8.02130         0.086981      0.377175     -0.200495
      9.88615     10.10928      8.65251        -0.055386     -0.063124     -0.073172
     12.28369     15.97799      2.33041        -0.039209     -2.148613      2.459434
     11.79794     13.63885      2.92135        -0.009067      0.091747     -0.055872
     10.87138     14.86162      6.93613        -0.394593      0.009509     -0.055157
     12.55597     20.20306      1.09519         0.204709      0.046763      0.219855
     11.63275     19.01225      5.81472         0.953217      2.330192     -2.434655
     11.81389      0.12020      5.18466        -0.058974      0.092822      0.087407
      9.59548      9.35779     17.22880         0.866869     -0.226106     -0.226462
     10.09330      7.75348     12.47025        -0.014684      0.125232     -0.020847
     10.30918     10.22583     12.98700        -0.111738     -0.381679      0.196502
      9.78075     11.37569     17.63657         0.214966      0.154098     -0.154530
     10.55990     11.99723     13.36808         0.021836      0.238455      0.211436
     10.83668     14.45239     13.79857        -0.023346      0.015095     -0.104951
      9.84683     17.85909      0.77166        -0.197775     -1.540524     -4.065683
      9.96153     15.84438     20.62375         0.010282      0.087354     -0.103524
     10.57951     18.36694     17.16153         0.858591     -0.282983      0.344500
      9.76534     -0.00739      3.41187        -0.337902      0.126427      0.061343
     10.70351      0.67202     19.86705         1.269342      0.901638      2.988564
     10.64371      2.62045      0.13102        -0.426889     -0.003680     -0.135498
      7.88239     10.61215     16.08964        -0.451087     -0.143930      0.209062
      6.89866      7.21012     19.66613         0.011717      0.102670     -0.068890
      6.89475      9.65511     20.24829         0.157031     -0.222711     -0.167168
      8.03661     12.63448     16.69373        -0.746672      0.175139      0.279402
      6.74717     11.41307     20.70041         0.129727      0.429493     -0.212920
      6.71634     13.83358      0.14096         0.347929     -0.174299     -0.229887
      9.33508     20.12334     15.63017         1.484007     -2.594229      3.056782
      8.95558     17.73786     16.14886        -0.057578      0.129274     -0.131637
      7.26488     18.84588     19.95848        -0.011364     -0.081269      0.023366
      9.38533      3.02878     14.33766         0.207543      0.005861     -0.027706
      8.41017      1.87809     19.07153         1.553339      2.018158     -1.423492
      8.77622      4.25307     18.42862         0.186396     -0.236742     -0.059941
      6.81029     13.05402      8.73804         0.021968     -0.118272     -0.135013
      7.54566     11.32441      4.07148         0.061454      0.007921     -0.124017
      7.82660     13.77833      4.54271        -0.143150     -0.342836      0.142573
      6.80929     15.12216      9.01504         0.011358      0.106754     -0.071369
      8.06309     15.50975      4.84168        -0.036751      0.307026      0.256346
      8.22029     17.99844      5.13681        -0.104379     -0.144168      0.020984
      6.32708      0.36794     13.14229        -0.747264     -0.856555     -4.189657
      6.38598     19.63500     11.67529         1.100316     -0.007358      0.065924
      8.09135      0.77838      8.52355        -0.086666     -0.074869      0.013804
      6.67581      3.73728     15.99006        -0.054382      0.186787     -0.193006
      7.95847      4.34631     11.22397         0.223584      0.924949      2.844411
      8.04278      6.28784     12.78376        -0.769623      0.193734     -0.310366
      3.59964     14.48984      9.11802        -0.010352     -0.247630      0.113072
      4.57427     11.27143     12.87714        -0.002259      0.074565     -0.062548
      4.67061     13.75661     13.30273        -0.043937     -0.222306     -0.288742
      3.98362     16.41436      9.41118         0.090948      0.083156     -0.034132
      4.59539     15.60786     13.66526         0.015236      0.289066     -0.215407
      4.84755     18.08219     14.06557         0.736102     -0.251947     -0.639699
      5.53841      2.50026      7.28122        -0.985850     -2.060185      2.308578
      4.95038      0.19823      7.97501         0.064302      0.022954      0.020823
      4.57322      1.55531     12.04955        -0.254406      0.086342     -0.173630
      6.65267      6.59153      6.00735         0.438919      0.173070      0.607621
      5.40116      5.70471     10.72538         0.540921      2.248390     -2.534670
      5.81050      8.02376      9.98643         0.040928     -0.084253      0.055612
      2.10766     16.48461      3.22557        -0.074076     -0.190478     -0.350211
      0.62476     14.93090     19.93136        -1.625842      0.168465      0.808781
      0.54628     17.35337     20.46222        -0.044551     -0.380462      0.090473
      1.81431     18.73371      3.58092         0.036348      0.065219     -0.054148
      0.24592     18.99428     20.74526         0.037702      0.253453      0.231688
      0.02575      0.21211     21.00027         0.025624     -0.029685     -0.108712
      2.79019      4.03401      7.15550        -2.584845     -1.675701     -3.081634
      2.35869      1.98920      5.90351        -0.000054     -0.023488      0.016095
      0.80640      4.32687      2.64337        -0.089075     -0.093772      0.207365
      3.80686      7.51780      9.44455        -0.393898      0.240966      0.138567
      1.86433      8.06291      4.91819         0.505124      1.438890      2.785341
      2.50716     10.07558      6.23426        -0.046278      0.039693      0.018700
      3.17386     17.07678     21.12399         0.612034     -0.344413      0.030982
      6.07932     13.75383      2.34901        -0.149339      0.163822      0.021806
      6.09971     16.18365      3.03477        -0.192374     -0.276250     -0.379376
      3.35702     19.22757      0.45077         0.241012      0.099743      0.157851
      6.21028     17.93157      3.54234        -0.200062      0.401889     -0.125924
      6.42077     20.32369      4.30377         0.080107     -0.060222      0.065801
      1.99637      5.80932      0.27060         0.251005     -3.246332      2.453716
      2.37634      3.33884      0.41722         0.190011      0.351074      0.121060
      4.80961      3.96474      3.94778        -0.117290      0.020460     -0.255101
      1.66067     10.29339     21.07141        -0.299685     -0.303211      0.727654
      4.10975      8.43195      3.72246        -0.663367      2.808059     -1.968388
      3.73356     10.90449      3.57362        -0.145182     -0.147818     -0.041925
     20.54946     19.59410     14.64290        -0.500956     -0.148217      0.142968
     16.58913     17.80705     12.10089        -0.064367      0.014274     -0.033996
     16.88484     20.30226     12.36962         0.187767     -0.436209      0.176312
     20.71221      0.27791     14.94255        -0.187801      0.036854      0.160275
     16.94886      0.81418     12.78681         0.099043      0.176949      0.197455
     16.98766      3.24697     13.36978        -0.078584      0.077205     -0.052029
      2.75152      6.68394     17.69999        -1.567881     -0.341836     -4.384551
      1.58089      4.67330     16.83572        -0.509157     -0.080059      1.211859
     19.39362      7.10278     15.90578         0.017239     -0.210930      0.185118
      4.37179     10.07412     20.24612        -0.165172      0.013157      0.041903
      0.10343     10.58112     17.84143         1.253511      0.376948      3.128130
      1.26436     12.59865     18.65642         0.184380      0.253655     -0.708072
      0.67718     21.18366     13.46294         0.231699     -0.154416     -0.218015
      3.82164     17.72544     15.33105        -0.515666      0.256532      0.378831
      4.29798     20.19366     15.72455        -0.422840     -0.217045     -0.122835
      0.90189      1.77537     13.85375         0.266987      0.133447      0.071150
      4.57190      0.83919     16.07060        -1.162261      0.379660      0.331731
      4.80495      3.27586     16.66032        -0.125760     -0.064498      0.063890
     19.90262      9.08045     13.79899         2.520647     -2.095255      0.841783
     20.74484      6.78124     13.87177         0.016459     -0.090799     -0.217798
      2.83426      8.09422     16.23903         0.290767      0.221986     -0.948683
     18.39093     13.11527     13.35736        -0.098320      0.065041     -0.061418
      1.45291     12.31783     15.65906        -1.666489      1.851808     -1.625599
      0.65253     14.63191     15.31011        -0.012739     -0.159061     -0.042222
     17.90104      2.69918      7.05674        -0.497476     -0.161637      0.092129
     14.53391      0.84767      3.81868         0.033891      0.035876     -0.129429
     14.58522      3.31939      4.26755         0.179231     -0.277550      0.140089
     17.92669      4.67887      7.39447        -0.215397      0.177429      0.018343
     14.64919      5.13765      4.52864         0.248362      0.306833      0.248252
     14.64583      7.62832      4.97128         0.019542     -0.055662     -0.012998
     20.45086     10.97356     10.90549        -2.032789     -1.177339     -2.848516
     19.57716      9.03846      9.67932        -0.659942      0.069864      0.415551
     16.78061     11.59836      7.64692        -0.031968     -0.006342     -0.041003
      1.06621     14.34833     12.89225         0.026886      0.116657     -0.171302
     18.38493     15.09275      9.95853         1.311807      0.721302      2.540696
     19.43260     17.02727     11.13167         0.260137     -0.061362     -0.222265
     19.35038      4.41664      5.29408         0.015132     -0.116752     -0.024221
     21.15922      0.63675      8.06557         0.051053      0.147102     -0.059117
      0.23170      3.01588      8.84896        -0.252880     -0.212948     -0.312360
     19.70133      6.16464      5.77702         0.117026      0.173823      0.009443
      0.38329      4.86170      9.46632        -0.521074      0.559792     -0.055766
      0.74749      7.28262     10.10525        -0.074274     -0.067416      0.015507
     18.45058     13.57005      4.79717         1.292545     -2.264680      2.022057
     19.03544     11.20650      5.17237        -0.032140      0.021920      0.085936
      0.07794     12.34816      8.64122         0.115384      0.064602     -0.274403
     17.03738     17.66709      4.25919         0.194281      0.069829     -0.051337
     20.22467     16.61769      7.91425        -2.185947      1.942638     -1.267050
     19.39239     18.92824      7.63682        -0.236686     -0.371198      0.243855
     14.05570     19.28299     10.58867        -0.090711     -0.028051     -0.015039
     18.62875     20.82536      3.63364         0.725064      1.349710      1.347801
     12.28282      1.17552      2.69763         1.793962      0.685333      0.545376
     13.16892     11.72771      4.48334         2.670607     -0.351765      1.655076
     10.01637      2.58371      2.81018        -1.093169      0.189243     -0.115855
     10.98030     12.67629      5.36297        -1.965938     -0.692578     -0.334264
      9.31784      5.24251     15.88473         3.077308     -0.533087      0.053337
     10.27389     15.70879     17.87230         1.286248     -0.401267      0.985520
      7.39906      6.31465     15.50222        -3.517590      1.244140      0.023448
      7.85341     16.63343     18.37724        -1.114476     -0.469667     -0.139265
      6.52673      8.91125      7.47315        -0.005668      0.525862     -0.057124
      7.33006     19.43769      9.10782         0.089401     -0.363664     -0.159516
      3.47822     10.14302      8.85076        -0.057974      0.470518      0.255202
      4.59688     20.53190     10.55953        -1.678846     -0.357954     -0.490506
      2.30077     12.32028      1.55305        -0.314205      0.296042     -0.005223
      1.38583      1.77400      3.43650        -0.412769     -0.472104     -0.322245
      3.42404     12.70063     20.38027         3.356834      0.349385     -0.867487
      4.02529      1.94973      2.20583         0.363577     -0.486526     -0.093439
     19.65042     15.42569     14.00384        -0.440738      0.995310      1.556876
     20.37951      4.52449     15.67244        -1.426173     -1.093720      3.069950
      0.44387     16.94685     12.75737        -0.249754      0.896404     -2.086966
      1.71991      5.83909     15.09062         0.948173     -0.339050     -3.488170
     17.55693     19.83528      5.80464        -1.339855      0.005931      0.396178
     17.54277      8.96329      7.86616        -0.279709     -0.398240     -0.133800
     19.00608      0.26818      4.35480         1.856049      1.541754      0.079671
     20.41755     10.13180      7.25440         0.732204     -0.572228     -0.711629
     11.86959      2.42811      5.01685         2.328892     -0.358446     -7.256003
     12.72816      0.85867      0.11927         0.690543      4.239260      6.548689
     12.46584      9.85728      6.22312         5.043938      2.191876     -6.095283
     13.77581     12.83644      2.16616        -1.708254     -6.182490      4.654963
     10.46124      4.64860      1.21187        -3.851748     -3.273316      6.537413
      9.41140      1.25779      4.99766         1.208812      6.659601     -4.340017
     11.40270     11.46552      3.05742        -4.547599      0.807545      4.432056
     10.36942     13.01710      7.89939         0.033328     -5.111257     -7.133470
      9.12856      6.51043     18.18702         2.709182     -0.739387     -6.900240
      9.57256      4.87701     13.27513         1.819338      3.227245      4.866344
      9.78774     13.75134     19.60474         2.769678      2.931899     -6.916853
     10.76465     16.85464     15.52897        -0.512889     -5.982274      4.739616
      8.01909      8.39043     13.94683        -5.951542     -1.965052      5.095078
      6.90371      4.95865     17.70011         0.444622      6.774553     -4.241047
      8.55144     15.56447     16.04384        -3.884713      0.034153      5.705556
      7.05556     16.73779     20.89187         1.871581     -3.659354     -6.993074
      6.25209     10.23374      9.74333         2.046355     -0.601398     -7.777064
      6.99611      8.51079      4.90545        -0.057573      4.917905      7.344860
      6.49222     17.58562     10.79833         4.552547      2.572032     -7.460134
      8.18325     20.49326      6.83112        -2.551357     -6.097128      4.982070
      3.00103     12.15810      7.20112         2.129027     -3.377233      7.143881
      4.17167      8.88151     11.07216        -1.871138      6.582780     -4.257798
      4.21871     19.20968      8.29820         0.943414      0.709784      7.838844
      4.91944     20.87732     13.12598        -3.973053     -8.511116     -7.871846
      3.07467     13.45412      3.87188        -3.243607     -0.157280     -7.665789
      1.31992     12.17496     20.40612        -5.324037      2.306491      9.309604
      2.22482      0.01540      5.22665        -2.964757      2.232519     -7.270367
      0.45118      2.74975      1.18759         1.810215     -5.925057      5.113219
      2.03491     14.74256     19.32084         8.125463     -3.899932      1.674372
      5.11535     11.42971      0.66644        -3.717636      6.343277     -2.437766
      2.54117      0.96003      0.22669         6.466092     -0.070581      5.609754
      5.81109      1.97062      4.14917        -4.588871     -3.788608     -6.035780
      0.35562     16.78638     15.11421        -5.927404     -0.688950     -1.090387
     17.43996     14.90664     12.65444         4.996716      5.018017      4.001466
      0.91035      2.64976     16.21052        -8.573341      2.148129     -0.442408
     18.19821      5.61449     14.63505         5.053543     -5.849351      1.697355
     20.41792     19.09234     11.92094         6.431122     -3.647352      2.597104
      2.20327     15.48666     14.08783        -2.036741      6.438556     -2.798922
     -0.16546      4.64315     13.67129         7.788635      0.550297      0.847913
      3.92181      6.10702     16.51428        -5.223943     -6.381984     -6.530270
     19.02812     21.18709      7.55934        -8.208035     -1.083203     -2.076374
     15.69990     19.36885      4.00207         4.234063      4.694566      4.818410
     19.02713      7.05602      8.90588        -8.472785      2.916679     -3.154002
     15.67624     10.10333      6.38905         4.451208     -6.381559      2.770786
     18.17988      2.51812      3.28527         3.799612     -4.653799      5.454403
     20.13866     19.86399      6.07021         0.611229      6.934520     -5.055908
     19.33158      9.05543      5.09962         3.503275     -0.154701      7.042908
      0.35841     10.22501      9.56839        -1.920588     -7.685191    -10.179998
     13.17068     17.68464      5.44398         8.302129     -2.728938     -2.810510
     15.44459     17.10124      5.69438        -1.467923     -1.272989     -2.887111
     14.28231     16.60760      3.69716         1.380651      0.614237      5.420001
     11.89165     15.09396     11.14781         1.362615     -1.156968     -2.706353
     11.56383     14.44478      8.89062        -1.004321      2.606176      5.581895
     13.62557     13.87282     10.03903        -2.252933      1.655921      1.617079
     12.30930     18.26902      6.96119        -6.366132      0.249317      4.529022
     10.09275     18.53545      6.08694         0.676996     -2.332759      2.883447
     10.53908     16.97362      7.83480         1.093993      1.929171     -2.519757
     12.87283     18.11802      0.15793        -0.346252     -2.081295      2.644033
     13.74764     16.69868      1.83551        -2.158836      2.067101     -4.792557
     11.43262     16.54773      1.26002         4.481204     -2.076381     -4.416602
      9.61360      0.46676     18.89252         7.392741     -2.215160     -3.800106
     11.93870      0.05706     18.75246        -2.284214     -0.587423     -1.623576
     10.52096     20.69314     16.97376         5.842719      1.768412      4.049430
      9.48401     19.01615      3.51050        -0.387963     -0.826624     -3.294919
      8.49485     18.35837      1.44429         0.564637      1.138948      3.336524
     10.79686     18.09740      1.83514        -9.493489      4.318501      3.408885
      8.66230      0.77340     20.46871        -7.591254      0.724429      1.716168
      6.85858      1.42200     19.03090        -2.150891     -3.111322      2.968268
      6.55502     20.98309     20.67696         1.975526      1.813220     -1.773269
      8.77339      0.93817     13.31986         6.477570     -1.379312      1.448398
     10.35805     21.02174     14.63726        -2.266638      1.171972     -1.510639
      8.05221     20.48150     15.00107         2.335670     -2.463160     -2.368498
      7.04617      4.14748      9.91768         7.467980     -1.809502     -0.527029
      9.26680      3.67478     10.63178        -0.184655     -1.166995     -3.441957
      8.54339      3.03935      8.45945        -0.066704      0.958600      4.545802
      6.33685      1.46159     16.05333         0.293262     -0.677378     -2.875949
      5.06657      1.18153     14.07387         3.789791      4.082859      2.975724
      7.23013      0.43655     14.16112        -9.728164      5.530356      3.866071
      6.21260      4.93570     11.74414        -5.962733      0.645924      1.625149
      3.88775      5.18745     11.31622         1.332839     -2.303572      6.979191
      4.60631      3.66490     12.95577         0.454125      2.041703     -2.915344
      6.62933      4.42492      5.14114         0.192154     -2.753944      2.936621
      7.08913      2.91270      6.90828        -1.287747      2.258328     -3.561541
      4.83328      3.27969      6.18552         4.788555     -0.935056     -5.408344
      0.34432      7.61308      4.69683        -0.660655     -1.912710     -3.845877
      2.26910      7.56111      3.35479       -10.541035     -1.433978      2.156931
      0.29886      6.60851      2.54158         1.527685      1.079958      3.190988
      3.97735      5.27705      9.51677        -9.016743     -0.841936     -5.775833
      2.05866      4.43074      8.53237         3.049130      0.550040      1.581303
      4.15015      4.36553      7.39970        -4.023414      3.673347      5.803675
      5.52638      7.58373      3.55845        -1.044483     -3.091859      1.293101
      3.49283      7.47744      4.75545         9.479722     -3.347951      0.349285
      5.13897      5.90501      5.20026        -3.247112      3.015497     -3.487083
      1.32555      8.29333     19.84134        -1.913337     -4.313485      6.368257
      2.93378      6.64727     -0.57357        -1.631213      3.371064      6.612804
      0.71176      6.74402      0.24802         0.634092      2.280595     -2.546977
     19.86577      9.71263     18.50169        -0.339671     -0.069595     -2.622127
     20.95615     10.53115     16.52904        -7.226935     -1.036828      2.857768
     18.96868      9.28988     16.38464         3.214470      0.196923      6.721709
      4.62698      7.73063     20.04146        -1.036442     -0.106008     -3.130230
      2.67811      6.62565     19.00983         3.822275      0.310230     -2.010263
      4.36863      7.60067     17.69076        -0.243571      2.131560      4.807179
      2.86190     11.64216     15.21044         1.020614     -1.837631      2.343018
      1.45513     11.57341     17.09046         4.753989      2.802921     -6.962566
      3.40019     10.16595     16.99282        -1.264862      3.053240     -3.275260
     17.60033     10.96995     13.09971         2.638940     -1.642492      0.860227
     19.50913      9.67175     12.48409        -6.424679     -2.833635      0.851545
     18.61689      9.54440     14.65308        -3.292943      3.023142     -6.560410
     16.90614     14.53508      9.99924        -0.925393     -1.105871     -3.262827
     18.57231     14.87448      8.32419        -6.987490     -1.896995      0.745155
     16.50780     13.89561      7.73291         2.055403      0.921508      2.430772
      1.20379     12.08044     12.89756        -1.347596     -0.643534     -3.116107
     20.38001     11.18863     12.34552         7.710343      4.846445     -2.590375
      0.72835     11.53636     10.68364         1.759147      4.863971      6.580038
      0.39757     16.13521      7.57372         2.021082     -2.924400      2.336007
     20.08514     15.69580      9.29744         6.755716      1.433946     -4.006491
      0.87957     14.50500      9.24246        -2.267640      2.014070     -1.730810
     17.07888     15.70037      3.05550         1.629657     -2.141171      2.248279
     19.00990     14.40711      3.59589        -2.654523      2.444124     -1.660156
     16.92731     14.06494      4.78969        -0.193757      2.441849     -2.517406
 -----------------------------------------------------------------------------------
    total drift:                                0.014019     -0.009589     -0.000722


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4329.7808884688 eV

  energy  without entropy=    -4329.8149803369  energy(sigma->0) =    -4329.79225242
 
 d Force = 0.1787079E+04[-0.438E+03, 0.401E+04]  d Energy = 0.7802499E+03 0.101E+04
 d Force = 0.8812972E+04[ 0.671E+03, 0.170E+05]  d Ewald  = 0.7765831E+04 0.105E+04


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    4(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) :-0.3405872E+02  (-0.1272241E+03)
 number of electron    2497.9999892 magnetization 
 augmentation part      158.3089465 magnetization 

  free energy =  -0.436383960279E+04  energy without entropy=  -0.436394305454E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    4(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3760
 total energy-change (2. order) :-0.4483695E+01  (-0.5013819E+01)
 number of electron    2497.9999893 magnetization 
 augmentation part      158.1087884 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7752
  0.7752

  free energy =  -0.436832329791E+04  energy without entropy=  -0.436829258809E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    4(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3864
 total energy-change (2. order) : 0.1548075E+00  (-0.1367804E+00)
 number of electron    2497.9999893 magnetization 
 augmentation part      158.1257941 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8685
  0.8685  0.8685

  free energy =  -0.436816849040E+04  energy without entropy=  -0.436828552233E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    4(   4)  ---------------------------------------



 eigenvalue-minimisations  :  4296
 total energy-change (2. order) :-0.6715733E-03  (-0.1229289E+00)
 number of electron    2497.9999893 magnetization 
 augmentation part      158.1236058 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0737
  1.8381  1.0339  0.3491

  free energy =  -0.436816916197E+04  energy without entropy=  -0.436813871690E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    4(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3976
 total energy-change (2. order) : 0.6494197E-01  (-0.1031777E+00)
 number of electron    2497.9999893 magnetization 
 augmentation part      158.1641147 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0223
  2.1560  0.9681  0.6350  0.3300

  free energy =  -0.436810422000E+04  energy without entropy=  -0.436812477013E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    4(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3808
 total energy-change (2. order) :-0.1163611E-01  (-0.1187693E-01)
 number of electron    2497.9999893 magnetization 
 augmentation part      158.1569744 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9557
  2.2969  0.8879  0.8879  0.3685  0.3372

  free energy =  -0.436811585611E+04  energy without entropy=  -0.436814624540E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    4(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3728
 total energy-change (2. order) : 0.7161194E-02  (-0.2859929E-02)
 number of electron    2497.9999893 magnetization 
 augmentation part      158.1314619 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9345
  2.3375  0.9720  0.9720  0.5953  0.3267  0.4034

  free energy =  -0.436810869491E+04  energy without entropy=  -0.436814053550E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    4(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3664
 total energy-change (2. order) : 0.6171294E-03  (-0.9641892E-03)
 number of electron    2497.9999893 magnetization 
 augmentation part      158.1225620 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9227
  2.3558  1.1305  1.1305  0.7134  0.4291  0.3219  0.3775

  free energy =  -0.436810807779E+04  energy without entropy=  -0.436811895903E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    4(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3680
 total energy-change (2. order) : 0.6388608E-03  (-0.4328553E-03)
 number of electron    2497.9999893 magnetization 
 augmentation part      158.1177639 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9410
  2.3936  1.2443  1.2443  0.7695  0.7695  0.4354  0.3529  0.3185

  free energy =  -0.436810743892E+04  energy without entropy=  -0.436812336820E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    4(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3648
 total energy-change (2. order) :-0.1049906E-03  (-0.1251983E-03)
 number of electron    2497.9999893 magnetization 
 augmentation part      158.1200323 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9742
  2.4791  1.3546  1.3546  0.9471  0.9471  0.5679  0.4537  0.3482  0.3155

  free energy =  -0.436810754392E+04  energy without entropy=  -0.436812461863E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    4(  11)  ---------------------------------------



 eigenvalue-minimisations  :  3664
 total energy-change (2. order) :-0.1282947E-03  (-0.4303881E-04)
 number of electron    2497.9999893 magnetization 
 augmentation part      158.1232001 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9784
  2.5451  1.5732  1.2544  0.9888  0.9888  0.7542  0.5629  0.4524  0.3483  0.3159

  free energy =  -0.436810767221E+04  energy without entropy=  -0.436812362050E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    4(  12)  ---------------------------------------



 eigenvalue-minimisations  :  3760
 total energy-change (2. order) :-0.1321858E-03  (-0.1271485E-04)
 number of electron    2497.9999893 magnetization 
 augmentation part      158.1237055 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9939
  2.6019  1.8376  1.0772  1.0772  1.0166  1.0166  0.5957  0.5957  0.4508  0.3157
  0.3480

  free energy =  -0.436810780440E+04  energy without entropy=  -0.436812399075E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    4(  13)  ---------------------------------------



 eigenvalue-minimisations  :  3112
 total energy-change (2. order) :-0.1287962E-03  (-0.3606111E-05)
 number of electron    2497.9999893 magnetization 
 augmentation part      158.1233892 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0353
  2.6878  2.1266  1.3010  1.3010  0.9508  0.9508  0.7832  0.6772  0.5245  0.4569
  0.3157  0.3479

  free energy =  -0.436810793319E+04  energy without entropy=  -0.436812392815E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    4(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2688
 total energy-change (2. order) :-0.1437192E-03  (-0.2387049E-05)
 number of electron    2497.9999893 magnetization 
 augmentation part      158.1228902 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0464
  2.7988  2.3662  1.4163  1.4163  0.9354  0.9354  0.7676  0.7676  0.3157  0.3480
  0.4532  0.5414  0.5414

  free energy =  -0.436810807691E+04  energy without entropy=  -0.436812405380E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    4(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2416
 total energy-change (2. order) :-0.9520160E-04  (-0.1288184E-05)
 number of electron    2497.9999893 magnetization 
 augmentation part      158.1227693 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0734
  3.0021  2.5002  1.5040  1.5040  1.0328  1.0328  0.8061  0.8061  0.6812  0.3157
  0.3479  0.5421  0.4552  0.4973

  free energy =  -0.436810817211E+04  energy without entropy=  -0.436812413760E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    4(  16)  ---------------------------------------



 eigenvalue-minimisations  :  2416
 total energy-change (2. order) :-0.8811516E-04  (-0.9827718E-06)
 number of electron    2497.9999893 magnetization 
 augmentation part      158.1230308 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1335
  3.5283  2.5398  1.6706  1.6706  1.0847  1.0847  0.8901  0.8901  0.8128  0.6812
  0.3157  0.3479  0.5374  0.4543  0.4940

  free energy =  -0.436810826023E+04  energy without entropy=  -0.436812428273E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    4(  17)  ---------------------------------------



 eigenvalue-minimisations  :  2360
 total energy-change (2. order) :-0.7767524E-04  (-0.8985342E-06)
 number of electron    2497.9999893 magnetization 
 augmentation part      158.1232647 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1713
  4.0178  2.5577  1.8073  1.4183  1.4183  1.0450  1.0450  1.0173  0.8057  0.8057
  0.6506  0.3157  0.3479  0.5396  0.4542  0.4950

  free energy =  -0.436810833790E+04  energy without entropy=  -0.436812434736E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    4(  18)  ---------------------------------------



 eigenvalue-minimisations  :  2320
 total energy-change (2. order) :-0.3208770E-04  (-0.3595236E-06)
 number of electron    2497.9999893 magnetization 
 augmentation part      158.1232100 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2105
  4.5006  2.5585  2.1521  1.5096  1.5096  1.1189  1.1189  0.8455  0.8455  0.8748
  0.6974  0.6974  0.3157  0.3479  0.4542  0.5365  0.4960

  free energy =  -0.436810836999E+04  energy without entropy=  -0.436812438568E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    4(  19)  ---------------------------------------



 eigenvalue-minimisations  :  2280
 total energy-change (2. order) :-0.1951790E-04  (-0.2231736E-06)
 number of electron    2497.9999893 magnetization 
 augmentation part      158.1230528 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2583
  5.0511  2.6575  2.3393  1.5778  1.5778  1.0972  1.0972  0.9892  0.9892  0.8644
  0.7972  0.7972  0.3157  0.3479  0.6627  0.4542  0.5379  0.4952

  free energy =  -0.436810838951E+04  energy without entropy=  -0.436812439470E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    4(  20)  ---------------------------------------



 eigenvalue-minimisations  :  2264
 total energy-change (2. order) :-0.1111580E-04  (-0.9920763E-07)
 number of electron    2497.9999893 magnetization 
 augmentation part      158.1230393 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2951
  5.4915  2.7962  2.4324  1.5950  1.5950  1.1855  1.1855  1.1174  1.1174  0.8836
  0.8836  0.7567  0.7567  0.3157  0.3479  0.6593  0.4542  0.5379  0.4950

  free energy =  -0.436810840062E+04  energy without entropy=  -0.436812440917E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    4(  21)  ---------------------------------------



 eigenvalue-minimisations  :  2232
 total energy-change (2. order) :-0.7036841E-05  (-0.6763105E-07)
 number of electron    2497.9999893 magnetization 
 augmentation part      158.1230393 magnetization 

  free energy =  -0.436810840766E+04  energy without entropy=  -0.436812442193E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.9945       2 -56.3505       3 -55.9716       4 -55.7272       5 -55.7306
       6 -56.1377       7 -58.1225       8 -58.2847       9 -56.0684      10 -55.8827
      11 -56.1031      12 -55.6818      13 -55.5754      14 -56.0925      15 -58.2883
      16 -58.2006      17 -56.6418      18 -55.1025      19 -54.6518      20 -55.5217
      21 -55.7213      22 -55.6859      23 -55.5441      24 -55.7801      25 -55.2146
      26 -54.8451      27 -54.9838      28 -55.1304      29 -60.8418      30 -60.8076
      31 -55.8675      32 -56.0790      33 -55.6682      34 -55.2925      35 -55.4855
      36 -55.9043      37 -58.1420      38 -58.3458      39 -55.7615      40 -55.3657
      41 -56.2575      42 -55.3619      43 -55.4736      44 -55.7634      45 -58.1499
      46 -58.3029      47 -56.5772      48 -55.2328      49 -54.7045      50 -55.3765
      51 -55.9992      52 -55.7138      53 -55.3824      54 -56.2981      55 -55.0436
      56 -54.5544      57 -54.7836      58 -56.3406      59 -61.0563      60 -61.0730
      61 -56.2010      62 -56.4073      63 -56.1529      64 -56.0291      65 -55.9299
      66 -56.1176      67 -57.9863      68 -58.3616      69 -56.0165      70 -55.8371
      71 -56.0745      72 -55.6205      73 -55.4785      74 -56.0372      75 -58.3378
      76 -58.1582      77 -56.5307      78 -55.0342      79 -54.5457      80 -55.5626
      81 -55.7365      82 -55.6234      83 -55.4710      84 -55.8094      85 -55.2494
      86 -55.0988      87 -55.1190      88 -56.5909      89 -61.1733      90 -61.0417
      91 -55.8183      92 -56.0630      93 -55.5958      94 -55.2032      95 -55.1793
      96 -55.7108      97 -58.1374      98 -58.3193      99 -55.8611     100 -55.6936
     101 -56.0531     102 -55.3599     103 -55.3840     104 -55.7898     105 -58.0846
     106 -58.3597     107 -56.4218     108 -54.9889     109 -55.1777     110 -55.1406
     111 -55.9211     112 -55.6569     113 -55.8414     114 -56.0289     115 -55.5920
     116 -55.0197     117 -55.1926     118 -56.6336     119 -61.3287     120 -60.8623
     121 -55.9718     122 -56.0527     123 -55.7634     124 -55.6407     125 -55.6677
     126 -56.0461     127 -58.1194     128 -58.1973     129 -56.0845     130 -55.7981
     131 -56.1348     132 -55.6775     133 -55.6672     134 -56.0158     135 -58.1855
     136 -58.2658     137 -56.5755     138 -55.4038     139 -54.8090     140 -55.5282
     141 -55.9424     142 -55.9408     143 -55.7112     144 -55.8604     145 -55.6371
     146 -56.0381     147 -56.3478     148 -56.5143     149 -61.2036     150 -61.2257
     151 -55.7462     152 -55.8227     153 -55.5218     154 -55.3717     155 -55.3909
     156 -55.7870     157 -57.9821     158 -57.9568     159 -55.7476     160 -55.4933
     161 -55.9526     162 -55.3682     163 -55.4152     164 -55.7413     165 -58.1992
     166 -58.0772     167 -56.5475     168 -55.2739     169 -54.7171     170 -55.6530
     171 -56.0147     172 -55.9384     173 -56.0523     174 -55.7395     175 -55.0208
     176 -54.8954     177 -54.7386     178 -56.1196     179 -60.8609     180 -61.3310
     181 -55.8944     182 -55.7867     183 -55.3881     184 -55.3094     185 -55.0657
     186 -55.7714     187 -58.0973     188 -57.8424     189 -55.8782     190 -55.5841
     191 -55.8569     192 -55.4437     193 -55.4158     194 -55.8096     195 -57.9588
     196 -58.1190     197 -56.2483     198 -54.7878     199 -54.4868     200 -55.1451
     201 -55.7808     202 -55.4737     203 -55.4858     204 -55.6427     205 -55.0363
     206 -55.0672     207 -54.8399     208 -56.2579     209 -61.0777     210 -60.8688
     211 -55.9490     212 -56.1379     213 -55.6415     214 -55.5481     215 -55.4890
     216 -55.9738     217 -58.1597     218 -58.2967     219 -56.0532     220 -55.7487
     221 -56.0665     222 -55.6065     223 -55.5085     224 -55.9430     225 -58.0892
     226 -58.3256     227 -56.3761     228 -54.9953     229 -54.7125     230 -55.2128
     231 -55.8001     232 -55.7251     233 -56.1491     234 -55.6364     235 -55.2365
     236 -54.8046     237 -55.0118     238 -56.3801     239 -60.9578     240 -60.8230
     241 -55.9658     242 -55.9998     243 -55.8262     244 -55.5812     245 -55.5984
     246 -55.9121     247 -58.1985     248 -58.2146     249 -56.0449     250 -55.7468
     251 -56.1307     252 -55.5879     253 -55.6334     254 -55.9093     255 -58.1420
     256 -57.9779     257 -56.5389     258 -55.8122     259 -55.0785     260 -55.6357
     261 -55.6556     262 -56.1580     263 -55.7357     264 -56.0557     265 -55.4842
     266 -55.3658     267 -56.9840     268 -56.9633     269 -61.0963     270 -60.9179
     271 -55.9769     272 -56.0131     273 -55.6082     274 -55.7197     275 -55.6437
     276 -55.9154     277 -58.3212     278 -58.1968     279 -55.5192     280 -55.7815
     281 -56.2778     282 -55.2213     283 -55.0945     284 -55.5988     285 -58.1858
     286 -57.9432     287 -56.4643     288 -55.3084     289 -54.4803     290 -55.8152
     291 -55.7265     292 -55.9053     293 -55.5208     294 -56.0379     295 -55.0129
     296 -54.6321     297 -54.7271     298 -56.2742     299 -60.9177     300 -61.3037
     301 -56.0241     302 -56.2314     303 -55.9117     304 -55.6265     305 -55.6360
     306 -56.0771     307 -58.2428     308 -58.6307     309 -56.0895     310 -55.7829
     311 -56.0884     312 -55.6879     313 -55.6657     314 -56.0335     315 -58.1689
     316 -58.1270     317 -56.2902     318 -55.0248     319 -54.5766     320 -55.1247
     321 -55.5954     322 -55.4530     323 -55.2992     324 -55.6425     325 -54.9537
     326 -55.3410     327 -55.1668     328 -56.4866     329 -60.7395     330 -60.7283
     331 -55.8697     332 -55.7646     333 -55.3593     334 -55.3045     335 -55.2715
     336 -55.6053     337 -58.1674     338 -58.0621     339 -55.4944     340 -55.2025
     341 -55.5350     342 -55.1697     343 -55.2171     344 -55.5085     345 -57.8402
     346 -57.7466     347 -56.1636     348 -54.7562     349 -54.4026     350 -55.1885
     351 -55.6812     352 -55.4200     353 -55.4764     354 -55.6434     355 -55.1330
     356 -54.4675     357 -54.9127     358 -56.2973     359 -60.7437     360 -60.8958
     361 -39.0549     362 -38.7622     363 -38.8833     364 -39.0110     365 -38.7742
     366 -38.5265     367 -38.8739     368 -38.3306     369 -38.4079     370 -38.3540
     371 -38.8281     372 -38.2211     373 -38.8381     374 -38.4795     375 -38.6136
     376 -38.8070     377 -38.5029     378 -38.5072     379 -38.9005     380 -38.1865
     381 -38.4488     382 -38.1331     383 -38.8575     384 -37.9051     385 -39.1246
     386 -38.9364     387 -38.9157     388 -38.8597     389 -38.7279     390 -38.4734
     391 -39.2190     392 -38.0161     393 -38.5567     394 -38.2953     395 -38.9894
     396 -38.3890     397 -38.7497     398 -38.2026     399 -38.3216     400 -38.8419
     401 -38.2205     402 -38.5348     403 -38.9736     404 -38.0671     405 -38.1713
     406 -38.5578     407 -38.6992     408 -38.0002     409 -38.7163     410 -38.6301
     411 -38.8154     412 -38.7868     413 -38.8366     414 -38.6529     415 -39.5990
     416 -38.9585     417 -38.3535     418 -38.5456     419 -39.5668     420 -39.0055
     421 -38.4986     422 -38.2853     423 -38.4049     424 -38.6152     425 -38.3349
     426 -38.8510     427 -38.8309     428 -38.1389     429 -38.7166     430 -38.1317
     431 -39.0948     432 -37.7818     433 -38.2394     434 -38.3384     435 -38.4585
     436 -38.5051     437 -38.5942     438 -38.4337     439 -39.2487     440 -37.8972
     441 -38.0626     442 -38.2597     443 -38.7774     444 -37.8835     445 -38.5370
     446 -38.5738     447 -38.5447     448 -38.6240     449 -38.6059     450 -38.3633
     451 -38.7329     452 -37.8043     453 -38.0963     454 -38.3743     455 -38.7051
     456 -37.9120     457 -38.9520     458 -38.5720     459 -38.7065     460 -38.9813
     461 -38.7869     462 -38.6567     463 -39.7097     464 -39.1111     465 -38.4935
     466 -38.4096     467 -39.4615     468 -39.1380     469 -38.8953     470 -38.8473
     471 -38.6228     472 -38.9152     473 -38.3535     474 -38.2354     475 -38.9879
     476 -38.2570     477 -38.8783     478 -38.0977     479 -38.8404     480 -37.7338
     481 -38.9404     482 -38.5814     483 -38.6864     484 -38.8126     485 -38.7225
     486 -38.6356     487 -39.0062     488 -38.3970     489 -38.0244     490 -38.0677
     491 -38.8566     492 -38.3637     493 -38.5919     494 -38.2198     495 -38.3658
     496 -38.4636     497 -38.2298     498 -38.2426     499 -38.5595     500 -37.6810
     501 -38.2035     502 -38.0889     503 -38.6007     504 -37.8132     505 -38.3218
     506 -40.5867     507 -71.4369     508 -71.6323     509 -71.6686     510 -71.7240
     511 -71.6481     512 -71.4737     513 -71.6127     514 -71.5190     515 -71.4394
     516 -71.5665     517 -71.1769     518 -71.4401     519 -71.3571     520 -71.4302
     521 -71.7081     522 -71.3987     523 -71.5476     524 -71.5538     525 -71.6177
     526 -71.9587     527 -71.6699     528 -71.4862     529 -71.2434     530 -71.1035
     531 -76.4419     532 -76.1567     533 -76.3221     534 -76.2629     535 -76.3010
     536 -76.2844     537 -76.2168     538 -76.4024     539 -76.8070     540 -76.7654
     541 -76.1356     542 -76.2569     543 -76.1755     544 -76.2974     545 -76.5430
     546 -76.3915     547 -76.5257     548 -76.5301     549 -76.9025     550 -76.4871
     551 -76.2257     552 -76.1580     553 -76.3461     554 -76.7676     555 -75.9805
     556 -77.0795     557 -76.4102     558 -76.2708     559 -76.5211     560 -76.3403
     561 -76.6602     562 -76.4045     563 -76.3229     564 -76.2425     565 -77.2689
     566 -76.5088     567 -76.3315     568 -75.9977     569 -76.0807     570 -76.6521
     571 -76.9764     572 -76.5516     573 -76.4806     574 -76.4669     575 -76.2585
     576 -75.9856     577 -75.9715     578 -76.2395     579 -83.1564     580 -82.3868
     581 -82.6886     582 -82.6823     583 -82.4780     584 -82.4497     585 -82.8275
     586 -82.6517     587 -82.8262     588 -82.7979     589 -82.9619     590 -82.2374
     591 -83.4679     592 -82.4650     593 -82.9899     594 -82.9396     595 -82.5424
     596 -84.2660     597 -82.9214     598 -82.6276     599 -82.6732     600 -82.7403
     601 -83.0837     602 -82.5820     603 -83.7535     604 -82.7869     605 -83.1897
     606 -82.7967     607 -82.8691     608 -84.4596     609 -83.8303     610 -82.9535
     611 -83.0268     612 -82.5438     613 -82.5421     614 -82.3381     615 -82.5119
     616 -83.7864     617 -82.5614     618 -83.9588     619 -82.6132     620 -83.4317
     621 -82.3878     622 -83.3219     623 -82.9120     624 -83.3144     625 -82.8708
     626 -82.6489     627 -82.2615     628 -83.3864     629 -83.1577     630 -82.7888
     631 -83.2125     632 -82.9327     633 -82.9210     634 -84.0197     635 -83.2095
     636 -82.6081     637 -82.1705     638 -83.1041     639 -82.2676     640 -82.9131
     641 -82.3991     642 -82.4153     643 -83.6281     644 -82.5829     645 -82.4898
     646 -83.3069     647 -82.6713     648 -82.4628     649 -82.2528     650 -82.2955
 
 
 
 E-fermi :  -0.5896     XC(G=0):  -6.3547     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -30.7031      2.00000
      2     -30.0620      2.00000
      3     -30.0166      2.00000
      4     -29.4701      2.00000
      5     -29.4243      2.00000
      6     -29.2745      2.00000
      7     -29.1662      2.00000
      8     -29.1403      2.00000
      9     -29.1329      2.00000
     10     -28.9353      2.00000
     11     -28.9327      2.00000
     12     -28.8264      2.00000
     13     -28.6541      2.00000
     14     -28.6214      2.00000
     15     -28.4901      2.00000
     16     -28.4098      2.00000
     17     -28.3046      2.00000
     18     -28.2446      2.00000
     19     -28.1963      2.00000
     20     -28.1585      2.00000
     21     -28.1198      2.00000
     22     -28.0496      2.00000
     23     -27.8927      2.00000
     24     -27.8878      2.00000
     25     -27.6588      2.00000
     26     -27.6243      2.00000
     27     -27.5957      2.00000
     28     -27.5081      2.00000
     29     -27.4332      2.00000
     30     -27.4123      2.00000
     31     -27.4049      2.00000
     32     -27.3540      2.00000
     33     -27.3242      2.00000
     34     -27.3187      2.00000
     35     -27.2741      2.00000
     36     -27.1559      2.00000
     37     -27.1485      2.00000
     38     -26.9374      2.00000
     39     -26.9206      2.00000
     40     -26.8874      2.00000
     41     -26.8595      2.00000
     42     -26.8182      2.00000
     43     -26.7706      2.00000
     44     -26.7654      2.00000
     45     -26.7568      2.00000
     46     -26.6995      2.00000
     47     -26.6893      2.00000
     48     -26.6887      2.00000
     49     -26.5936      2.00000
     50     -26.5710      2.00000
     51     -26.5385      2.00000
     52     -26.5145      2.00000
     53     -26.4835      2.00000
     54     -26.4752      2.00000
     55     -26.4723      2.00000
     56     -26.4598      2.00000
     57     -26.4464      2.00000
     58     -26.4310      2.00000
     59     -26.4114      2.00000
     60     -26.4066      2.00000
     61     -26.3711      2.00000
     62     -26.3599      2.00000
     63     -26.3433      2.00000
     64     -26.3363      2.00000
     65     -26.2249      2.00000
     66     -26.2132      2.00000
     67     -26.1532      2.00000
     68     -26.1173      2.00000
     69     -26.1038      2.00000
     70     -26.1016      2.00000
     71     -26.0369      2.00000
     72     -25.9874      2.00000
     73     -22.5884      2.00000
     74     -22.2988      2.00000
     75     -22.2609      2.00000
     76     -22.1907      2.00000
     77     -22.1670      2.00000
     78     -22.1386      2.00000
     79     -21.9179      2.00000
     80     -21.8004      2.00000
     81     -21.7742      2.00000
     82     -21.7377      2.00000
     83     -21.7130      2.00000
     84     -21.5499      2.00000
     85     -21.4113      2.00000
     86     -21.4017      2.00000
     87     -21.3499      2.00000
     88     -21.3178      2.00000
     89     -21.1880      2.00000
     90     -21.1788      2.00000
     91     -21.1688      2.00000
     92     -21.1301      2.00000
     93     -21.1042      2.00000
     94     -21.1031      2.00000
     95     -21.0267      2.00000
     96     -21.0147      2.00000
     97     -21.0141      2.00000
     98     -20.9900      2.00000
     99     -20.9674      2.00000
    100     -20.9556      2.00000
    101     -20.9358      2.00000
    102     -20.9207      2.00000
    103     -20.9201      2.00000
    104     -20.9105      2.00000
    105     -20.9094      2.00000
    106     -20.8992      2.00000
    107     -20.8937      2.00000
    108     -20.8346      2.00000
    109     -20.8196      2.00000
    110     -20.7700      2.00000
    111     -20.7557      2.00000
    112     -20.6642      2.00000
    113     -20.6540      2.00000
    114     -20.5529      2.00000
    115     -20.5521      2.00000
    116     -20.5158      2.00000
    117     -20.5040      2.00000
    118     -20.4820      2.00000
    119     -20.3070      2.00000
    120     -20.2676      2.00000
    121     -19.9661      2.00000
    122     -19.8630      2.00000
    123     -19.7148      2.00000
    124     -19.6219      2.00000
    125     -19.6011      2.00000
    126     -19.5067      2.00000
    127     -19.4406      2.00000
    128     -19.4215      2.00000
    129     -19.3501      2.00000
    130     -19.3397      2.00000
    131     -19.3149      2.00000
    132     -19.2921      2.00000
    133     -19.2824      2.00000
    134     -19.2771      2.00000
    135     -19.2668      2.00000
    136     -19.2387      2.00000
    137     -19.2122      2.00000
    138     -19.1934      2.00000
    139     -19.1592      2.00000
    140     -19.1065      2.00000
    141     -19.0538      2.00000
    142     -19.0257      2.00000
    143     -18.9981      2.00000
    144     -18.9170      2.00000
    145     -18.7040      2.00000
    146     -18.5857      2.00000
    147     -18.5018      2.00000
    148     -18.4963      2.00000
    149     -18.4377      2.00000
    150     -18.4322      2.00000
    151     -18.4026      2.00000
    152     -18.3323      2.00000
    153     -18.3216      2.00000
    154     -18.2957      2.00000
    155     -18.2897      2.00000
    156     -18.2486      2.00000
    157     -18.2430      2.00000
    158     -18.2229      2.00000
    159     -18.2050      2.00000
    160     -18.1937      2.00000
    161     -18.1775      2.00000
    162     -18.1148      2.00000
    163     -18.0943      2.00000
    164     -18.0660      2.00000
    165     -18.0402      2.00000
    166     -17.9853      2.00000
    167     -17.9593      2.00000
    168     -17.9367      2.00000
    169     -17.9220      2.00000
    170     -17.9126      2.00000
    171     -17.8923      2.00000
    172     -17.8610      2.00000
    173     -17.8477      2.00000
    174     -17.8335      2.00000
    175     -17.7835      2.00000
    176     -17.7765      2.00000
    177     -17.7331      2.00000
    178     -17.7204      2.00000
    179     -17.6834      2.00000
    180     -17.6605      2.00000
    181     -17.6349      2.00000
    182     -17.5725      2.00000
    183     -17.5441      2.00000
    184     -17.5349      2.00000
    185     -17.4819      2.00000
    186     -17.4719      2.00000
    187     -17.4455      2.00000
    188     -17.4240      2.00000
    189     -17.4073      2.00000
    190     -17.3680      2.00000
    191     -17.2674      2.00000
    192     -17.2571      2.00000
    193     -16.7876      2.00000
    194     -16.6575      2.00000
    195     -16.5878      2.00000
    196     -16.5413      2.00000
    197     -16.5002      2.00000
    198     -16.4463      2.00000
    199     -16.4020      2.00000
    200     -16.3897      2.00000
    201     -16.3759      2.00000
    202     -16.3339      2.00000
    203     -16.3224      2.00000
    204     -16.2789      2.00000
    205     -16.2739      2.00000
    206     -16.2460      2.00000
    207     -16.2278      2.00000
    208     -16.1947      2.00000
    209     -16.1847      2.00000
    210     -16.1663      2.00000
    211     -16.1191      2.00000
    212     -16.0867      2.00000
    213     -16.0597      2.00000
    214     -16.0574      2.00000
    215     -16.0255      2.00000
    216     -16.0182      2.00000
    217     -16.0012      2.00000
    218     -15.9685      2.00000
    219     -15.8916      2.00000
    220     -15.8801      2.00000
    221     -15.8762      2.00000
    222     -15.8367      2.00000
    223     -15.8291      2.00000
    224     -15.8181      2.00000
    225     -15.8008      2.00000
    226     -15.7642      2.00000
    227     -15.7510      2.00000
    228     -15.7161      2.00000
    229     -15.7003      2.00000
    230     -15.6618      2.00000
    231     -15.6496      2.00000
    232     -15.6473      2.00000
    233     -15.6432      2.00000
    234     -15.6172      2.00000
    235     -15.5967      2.00000
    236     -15.5591      2.00000
    237     -15.5112      2.00000
    238     -15.4997      2.00000
    239     -15.4788      2.00000
    240     -15.4747      2.00000
    241     -15.4667      2.00000
    242     -15.4539      2.00000
    243     -15.4416      2.00000
    244     -15.4363      2.00000
    245     -15.3938      2.00000
    246     -15.3882      2.00000
    247     -15.3067      2.00000
    248     -15.2990      2.00000
    249     -15.2807      2.00000
    250     -15.2751      2.00000
    251     -15.2548      2.00000
    252     -15.2383      2.00000
    253     -15.2050      2.00000
    254     -15.1979      2.00000
    255     -15.1776      2.00000
    256     -15.1596      2.00000
    257     -15.1431      2.00000
    258     -15.1249      2.00000
    259     -15.1101      2.00000
    260     -15.0927      2.00000
    261     -15.0867      2.00000
    262     -15.0807      2.00000
    263     -15.0600      2.00000
    264     -15.0208      2.00000
    265     -14.9925      2.00000
    266     -14.9643      2.00000
    267     -14.9146      2.00000
    268     -14.9054      2.00000
    269     -14.8880      2.00000
    270     -14.8563      2.00000
    271     -14.8324      2.00000
    272     -14.7979      2.00000
    273     -14.7871      2.00000
    274     -14.7841      2.00000
    275     -14.7600      2.00000
    276     -14.7251      2.00000
    277     -14.6632      2.00000
    278     -14.6340      2.00000
    279     -14.6223      2.00000
    280     -14.6119      2.00000
    281     -14.5538      2.00000
    282     -14.5374      2.00000
    283     -14.4854      2.00000
    284     -14.4367      2.00000
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   1415       3.9778     -0.00000
   1416       3.9821     -0.00000
   1417       3.9948     -0.00000
   1418       4.0039     -0.00000
   1419       4.0119     -0.00000
   1420       4.0246     -0.00000
   1421       4.0368     -0.00000
   1422       4.0404     -0.00000
   1423       4.0606     -0.00000
   1424       4.0696     -0.00000
   1425       4.0839     -0.00000
   1426       4.0872     -0.00000
   1427       4.0999     -0.00000
   1428       4.1223     -0.00000
   1429       4.1429     -0.00000
   1430       4.1510     -0.00000
   1431       4.1533     -0.00000
   1432       4.1618     -0.00000
   1433       4.1681     -0.00000
   1434       4.1864     -0.00000
   1435       4.1920     -0.00000
   1436       4.1955     -0.00000
   1437       4.2068     -0.00000
   1438       4.2144     -0.00000
   1439       4.2158     -0.00000
   1440       4.2315     -0.00000
   1441       4.2406     -0.00000
   1442       4.2602     -0.00000
   1443       4.2856     -0.00000
   1444       4.2947     -0.00000
   1445       4.2997     -0.00000
   1446       4.3040     -0.00000
   1447       4.3222     -0.00000
   1448       4.3323     -0.00000
   1449       4.3386     -0.00000
   1450       4.3663     -0.00000
   1451       4.3778     -0.00000
   1452       4.3835     -0.00000
   1453       4.3977     -0.00000
   1454       4.4053     -0.00000
   1455       4.4093     -0.00000
   1456       4.4299     -0.00000
   1457       4.4470     -0.00000
   1458       4.4679     -0.00000
   1459       4.4712     -0.00000
   1460       4.4782     -0.00000
   1461       4.4896     -0.00000
   1462       4.5026     -0.00000
   1463       4.5109     -0.00000
   1464       4.5261     -0.00000
   1465       4.5338     -0.00000
   1466       4.5421     -0.00000
   1467       4.5638     -0.00000
   1468       4.5640     -0.00000
   1469       4.5719     -0.00000
   1470       4.5844     -0.00000
   1471       4.5942     -0.00000
   1472       4.6143     -0.00000
   1473       4.6369     -0.00000
   1474       4.6390     -0.00000
   1475       4.6527     -0.00000
   1476       4.6646     -0.00000
   1477       4.6692     -0.00000
   1478       4.6713     -0.00000
   1479       4.6801     -0.00000
   1480       4.6961     -0.00000
   1481       4.7039     -0.00000
   1482       4.7073     -0.00000
   1483       4.7296     -0.00000
   1484       4.7398      0.00000
   1485       4.7686      0.00000
   1486       4.7713      0.00000
   1487       4.7858      0.00000
   1488       4.7887      0.00000
   1489       4.8131      0.00000
   1490       4.8207      0.00000
   1491       4.8359      0.00000
   1492       4.8468      0.00000
   1493       4.8555      0.00000
   1494       4.8610      0.00000
   1495       4.8813      0.00000
   1496       4.8893      0.00000
   1497       4.9022      0.00000
   1498       4.9153      0.00000
   1499       4.9168      0.00000
   1500       4.9224      0.00000
   1501       4.9319      0.00000
   1502       4.9479      0.00000
   1503       4.9620      0.00000
   1504       4.9659      0.00000
   1505       4.9772      0.00000
   1506       4.9926      0.00000
   1507       4.9941      0.00000
   1508       5.0059      0.00000
   1509       5.0164      0.00000
   1510       5.0314      0.00000
   1511       5.0464      0.00000
   1512       5.0557      0.00000
   1513       5.0698      0.00000
   1514       5.0775      0.00000
   1515       5.0884      0.00000
   1516       5.0978      0.00000
   1517       5.1049      0.00000
   1518       5.1158      0.00000
   1519       5.1307      0.00000
   1520       5.1362      0.00000
   1521       5.1449      0.00000
   1522       5.1604      0.00000
   1523       5.1787      0.00000
   1524       5.1825      0.00000
   1525       5.1919      0.00000
   1526       5.2010      0.00000
   1527       5.2108      0.00000
   1528       5.2223      0.00000
   1529       5.2322      0.00000
   1530       5.2406      0.00000
   1531       5.2514      0.00000
   1532       5.2789      0.00000
   1533       5.2870      0.00000
   1534       5.3016      0.00000
   1535       5.3118      0.00000
   1536       5.3278      0.00000
   1537       5.3335      0.00000
   1538       5.3415      0.00000
   1539       5.3452      0.00000
   1540       5.3560      0.00000
   1541       5.3624      0.00000
   1542       5.3896      0.00000
   1543       5.3973      0.00000
   1544       5.4053      0.00000
   1545       5.4247      0.00000
   1546       5.4262      0.00000
   1547       5.4416      0.00000
   1548       5.4661      0.00000
   1549       5.4777      0.00000
   1550       5.4811      0.00000
   1551       5.5014      0.00000
   1552       5.5036      0.00000
   1553       5.5149      0.00000
   1554       5.5239      0.00000
   1555       5.5411      0.00000
   1556       5.5585      0.00000
   1557       5.5691      0.00000
   1558       5.5749      0.00000
   1559       5.5926      0.00000
   1560       5.6129      0.00000
   1561       5.6167      0.00000
   1562       5.6282      0.00000
   1563       5.6385      0.00000
   1564       5.6551      0.00000
   1565       5.6797      0.00000
   1566       5.6902      0.00000
   1567       5.7005      0.00000
   1568       5.7021      0.00000
   1569       5.7198      0.00000
   1570       5.7265      0.00000
   1571       5.7329      0.00000
   1572       5.7502      0.00000
   1573       5.7609      0.00000
   1574       5.7629      0.00000
   1575       5.7836      0.00000
   1576       5.8091      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.081  13.403  -0.001   0.001  -0.000   0.000  -0.004   0.001
 13.403  17.819  -0.001   0.002  -0.000   0.001  -0.005   0.002
 -0.001  -0.001  -4.232   0.001  -0.001   8.281  -0.002   0.001
  0.001   0.002   0.001  -4.232   0.001  -0.002   8.280  -0.002
 -0.000  -0.000  -0.001   0.001  -4.225   0.001  -0.002   8.271
  0.000   0.001   8.281  -0.002   0.001 -18.335   0.002  -0.002
 -0.004  -0.005  -0.002   8.280  -0.002   0.002 -18.330   0.002
  0.001   0.002   0.001  -0.002   8.271  -0.002   0.002 -18.320
 total augmentation occupancy for first ion, spin component:           1
  7.933  -3.511   0.254   0.108  -0.019   0.033   0.019  -0.005
 -3.511   1.628  -0.127  -0.078   0.005  -0.015  -0.012   0.003
  0.254  -0.127   1.674  -0.065   0.021   0.157  -0.009   0.004
  0.108  -0.078  -0.065   1.829  -0.104  -0.008   0.170  -0.017
 -0.019   0.005   0.021  -0.104   1.247   0.004  -0.017   0.078
  0.033  -0.015   0.157  -0.008   0.004   0.016  -0.001   0.001
  0.019  -0.012  -0.009   0.170  -0.017  -0.001   0.017  -0.002
 -0.005   0.003   0.004  -0.017   0.078   0.001  -0.002   0.005


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -62449.28943123498.08484 51390.89630-13486.47242  4026.23147 35440.24873
  Hartree -8391.43889152093.40401 89338.39360-13839.53678  2069.37164 30221.45249
  E(xc)  -10671.70980-10557.76215-10587.82914     2.23955     7.77989    24.54596
  Local   37595.22685************************ 27319.96846 -6107.54724-65222.64412
  n-local -5743.93001 -5805.79671 -5834.41626     4.61827     3.92431   -25.81460
  augment  1464.54709  1531.87971  1462.82542     5.16615    17.00670    -1.86660
  Kinetic 45440.96689 43026.58932 43487.40430   -28.68201   -56.67836  -570.26293
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      152.2314293   -669.1091075   -286.1875829    -22.6987828    -39.9115932   -134.3410653
  in kB       25.3858094   -111.5792995    -47.7240702     -3.7852037     -6.6555776    -22.4024480
  external PRESSURE =     -44.6391868 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.350E+03 -.106E+03 0.238E+03   0.350E+03 0.106E+03 -.240E+03   0.410E+00 -.152E+01 0.139E+01   0.207E-03 -.818E-05 -.109E-03
   -.313E+03 -.126E+03 0.317E+02   0.314E+03 0.127E+03 -.313E+02   -.389E-01 -.154E+01 0.467E+00   0.109E-03 0.315E-04 -.302E-04
   -.261E+03 -.142E+03 -.803E+01   0.262E+03 0.143E+03 0.101E+02   0.796E+00 -.172E+01 -.218E+01   0.115E-03 0.371E-04 -.353E-08
   -.317E+03 -.108E+03 0.358E+03   0.318E+03 0.108E+03 -.360E+03   0.654E-01 -.263E+00 0.250E+01   0.332E-03 -.147E-04 -.102E-03
   -.267E+03 -.165E+03 0.323E+03   0.268E+03 0.165E+03 -.323E+03   0.986E-01 -.827E+00 0.124E+01   0.321E-03 -.170E-04 -.738E-04
   -.230E+03 -.134E+03 0.173E+03   0.230E+03 0.135E+03 -.173E+03   0.311E+00 0.692E-01 0.338E+00   0.195E-03 -.127E-04 -.369E-04
   -.392E+03 -.125E+03 0.180E+03   0.394E+03 0.127E+03 -.183E+03   -.502E+00 -.402E+01 0.129E+01   0.173E-03 -.553E-05 -.152E-03
   -.298E+03 -.963E+02 -.402E+02   0.299E+03 0.999E+02 0.418E+02   -.763E+00 -.395E+01 0.112E+01   0.484E-04 0.446E-04 -.386E-04
   -.167E+03 0.111E+01 0.209E+03   0.167E+03 -.129E+01 -.210E+03   -.226E+00 -.241E+00 0.230E+00   0.157E-03 -.707E-04 -.435E-04
   -.152E+03 0.956E+02 0.769E+02   0.153E+03 -.972E+02 -.760E+02   0.510E+00 0.173E+01 -.132E+01   0.601E-04 -.902E-04 0.266E-04
   -.176E+03 0.133E+03 0.141E+03   0.176E+03 -.133E+03 -.141E+03   0.104E+01 0.136E+01 0.124E+01   0.333E-04 -.759E-04 0.289E-04
   -.174E+03 0.817E+01 0.346E+03   0.174E+03 -.852E+01 -.347E+03   -.218E+00 0.214E+00 0.145E+01   0.249E-03 -.692E-04 -.124E-03
   -.180E+03 -.194E+02 0.379E+03   0.181E+03 0.202E+02 -.381E+03   -.497E+00 -.784E+00 0.270E+01   0.241E-03 -.277E-04 -.184E-03
   -.207E+03 0.570E+02 0.319E+03   0.208E+03 -.568E+02 -.320E+03   0.528E-02 0.105E+01 0.150E+01   0.111E-03 -.220E-04 -.898E-04
   -.223E+03 0.110E+03 0.305E+03   0.225E+03 -.111E+03 -.310E+03   -.861E+00 0.408E+01 0.254E+01   0.867E-04 0.158E-04 -.124E-03
   -.223E+03 0.166E+03 0.534E+02   0.225E+03 -.171E+03 -.532E+02   0.358E-01 0.408E+01 0.297E+01   -.277E-04 -.988E-04 0.137E-03
   -.204E+03 0.151E+03 0.428E+02   0.205E+03 -.148E+03 -.387E+02   0.200E+00 -.490E+01 -.460E+01   0.764E-05 0.589E-04 0.908E-04
   -.130E+03 0.240E+03 -.182E+03   0.130E+03 -.242E+03 0.184E+03   0.928E+00 0.152E+01 -.285E+01   0.164E-04 0.285E-04 0.892E-04
   -.108E+03 0.177E+03 -.208E+03   0.108E+03 -.178E+03 0.212E+03   0.958E+00 0.106E+01 -.564E+01   0.519E-04 0.454E-04 0.692E-04
   -.206E+03 0.148E+03 0.179E+03   0.209E+03 -.148E+03 -.183E+03   -.925E+00 -.108E+01 0.349E+01   0.414E-04 0.669E-04 0.367E-04
   -.162E+03 0.111E+03 -.201E+01   0.162E+03 -.113E+03 0.333E+01   0.110E+01 0.183E+01 -.124E+01   0.579E-04 0.646E-04 0.661E-04
   -.120E+03 0.577E+02 -.163E+03   0.121E+03 -.579E+02 0.164E+03   0.451E+00 0.994E+00 -.841E+00   0.551E-04 0.454E-04 0.897E-04
   -.117E+03 -.303E+02 -.247E+03   0.118E+03 0.305E+02 0.247E+03   -.988E-01 -.128E+01 0.833E+00   0.692E-04 0.112E-04 0.437E-04
   -.607E+02 -.819E+02 -.329E+03   0.618E+02 0.844E+02 0.328E+03   -.115E+01 -.282E+01 0.896E+00   0.666E-04 0.161E-04 -.530E-05
   -.348E+02 -.150E+03 -.411E+03   0.346E+02 0.151E+03 0.413E+03   0.251E+00 -.824E+00 -.210E+01   0.757E-04 0.293E-04 -.462E-04
   -.191E+03 -.173E+03 -.236E+03   0.193E+03 0.174E+03 0.233E+03   -.146E+01 -.133E+01 0.496E+01   0.723E-04 -.128E-04 0.729E-04
   -.137E+03 -.317E+03 -.258E+03   0.138E+03 0.318E+03 0.258E+03   0.391E-01 -.104E+01 0.771E+00   0.542E-04 -.844E-05 0.605E-04
   -.700E+02 -.267E+03 -.352E+03   0.703E+02 0.268E+03 0.353E+03   -.312E+00 -.108E+01 -.145E+00   0.544E-04 0.214E-04 -.610E-05
   -.349E+02 0.123E+02 -.330E+03   0.390E+02 -.257E+01 0.328E+03   -.463E+01 -.861E+01 0.405E+01   0.865E-04 0.883E-05 -.128E-04
   -.193E+03 0.556E+02 0.368E+02   0.192E+03 -.666E+02 -.336E+02   0.228E+01 0.916E+01 -.407E+01   0.100E-03 -.232E-04 0.824E-04
   -.152E+03 -.432E+02 -.539E+02   0.151E+03 0.429E+02 0.555E+02   0.121E+00 -.107E+01 -.209E+01   -.712E-04 0.843E-05 0.146E-04
   -.103E+03 -.147E+03 0.983E+02   0.102E+03 0.148E+03 -.983E+02   -.129E+00 -.156E+01 -.133E+01   -.331E-04 0.137E-04 0.521E-05
   -.137E+03 -.147E+03 0.139E+03   0.136E+03 0.149E+03 -.140E+03   -.198E+00 -.215E+01 0.107E+01   -.229E-04 0.250E-04 0.539E-04
   -.289E+03 0.372E+01 -.146E+03   0.288E+03 -.546E+01 0.149E+03   0.949E+00 0.178E+01 -.333E+01   -.827E-04 0.589E-04 0.967E-04
   -.294E+03 -.734E+02 -.184E+03   0.294E+03 0.737E+02 0.185E+03   0.408E+00 -.332E-01 -.146E+01   -.615E-04 0.362E-04 0.111E-03
   -.216E+03 -.572E+02 -.359E+02   0.216E+03 0.576E+02 0.363E+02   0.234E+00 0.169E-01 -.319E+00   -.381E-04 0.190E-04 0.678E-04
   -.500E+02 -.550E+02 -.302E+02   0.483E+02 0.560E+02 0.352E+02   0.393E+00 -.396E+01 -.310E+01   -.665E-04 0.402E-04 -.291E-04
   -.595E+01 -.165E+03 0.122E+03   0.424E+01 0.170E+03 -.122E+03   0.126E+01 -.358E+01 -.289E+01   -.131E-04 -.108E-04 0.384E-04
   -.172E+03 0.628E+02 -.497E+02   0.172E+03 -.629E+02 0.502E+02   -.335E-01 -.344E+00 -.379E+00   -.221E-04 -.398E-04 0.459E-04
   -.651E+02 0.893E+02 0.151E+03   0.648E+02 -.909E+02 -.153E+03   -.136E+01 0.192E+01 0.210E+01   -.788E-05 -.446E-04 0.606E-04
   0.178E+02 0.804E+02 0.848E+02   -.202E+02 -.815E+02 -.846E+02   0.294E+00 0.261E+01 -.102E+01   -.317E-05 -.206E-04 0.589E-04
   -.199E+03 0.870E+02 -.246E+03   0.199E+03 -.880E+02 0.247E+03   0.316E+00 0.904E+00 -.119E+01   -.225E-04 -.748E-04 0.392E-04
   -.144E+03 0.414E+02 -.319E+03   0.144E+03 -.415E+02 0.321E+03   0.206E+00 0.541E+00 -.229E+01   0.301E-06 -.484E-04 0.110E-04
   -.365E+02 0.563E+02 -.185E+03   0.358E+02 -.568E+02 0.186E+03   -.149E+00 0.205E+01 -.144E+01   0.589E-05 -.130E-05 0.172E-04
   0.203E+02 0.111E+03 -.136E+03   -.225E+02 -.114E+03 0.140E+03   0.882E+00 0.461E+01 -.116E+01   -.199E-04 0.404E-04 0.360E-05
   0.869E+02 0.811E+02 0.163E+03   -.899E+02 -.843E+02 -.165E+03   0.225E+01 0.422E+01 -.267E+00   -.526E-04 0.165E-04 0.757E-04
   0.107E+03 0.972E+02 0.106E+03   -.107E+03 -.923E+02 -.109E+03   -.186E+01 -.608E+01 0.227E+01   -.865E-04 0.514E-04 0.574E-04
   0.378E+02 0.179E+03 0.299E+03   -.381E+02 -.180E+03 -.302E+03   -.124E+01 0.910E+00 0.348E+01   -.522E-04 0.616E-04 0.213E-04
   -.144E+02 0.190E+03 0.243E+03   0.160E+02 -.189E+03 -.247E+03   -.231E+01 -.869E+00 0.557E+01   -.311E-04 0.438E-04 -.117E-04
   0.126E+03 0.950E+02 -.799E+02   -.127E+03 -.957E+02 0.835E+02   0.544E+00 0.584E+00 -.382E+01   -.796E-04 0.323E-04 0.597E-04
   0.105E+03 0.692E+02 -.263E+02   -.106E+03 -.710E+02 0.237E+02   -.905E+00 0.215E+01 0.231E+01   -.842E-04 -.280E-05 0.456E-04
   0.566E+02 0.705E+02 0.107E+03   -.572E+02 -.700E+02 -.108E+03   -.118E+01 0.311E+00 0.110E+01   -.739E-04 -.633E-05 0.863E-05
   -.109E+03 -.492E+02 0.457E+02   0.108E+03 0.494E+02 -.445E+02   0.679E+00 -.626E+00 -.167E+01   -.464E-04 -.517E-04 -.107E-04
   -.336E+03 -.711E+02 0.133E+03   0.339E+03 0.735E+02 -.130E+03   -.367E+00 -.233E+01 -.279E+01   0.981E-04 -.359E-04 -.717E-04
   -.371E+03 -.123E+03 0.195E+03   0.372E+03 0.124E+03 -.199E+03   0.654E+00 -.106E+01 0.398E+01   0.529E-04 -.390E-04 -.125E-03
   -.113E+03 -.210E+03 -.119E+03   0.113E+03 0.210E+03 0.122E+03   0.604E+00 0.902E+00 -.510E+01   -.540E-04 -.772E-04 0.126E-04
   -.178E+03 -.202E+03 -.183E+03   0.177E+03 0.204E+03 0.186E+03   0.928E+00 -.730E+00 -.323E+01   -.158E-04 -.505E-04 -.232E-04
   -.284E+03 -.120E+03 0.107E+02   0.284E+03 0.115E+03 -.840E+01   0.983E+00 0.641E+01 -.244E+01   0.809E-05 -.101E-04 -.749E-04
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   0.765E+03 -.424E+02 -.122E+03   -.783E+03 0.637E+02 0.926E+02   0.169E+02 -.252E+02 0.351E+02   -.224E-03 0.243E-04 0.152E-03
   -.879E+02 0.405E+03 -.152E+02   0.124E+03 -.429E+03 0.906E+01   -.378E+02 0.282E+02 0.697E+01   -.411E-04 -.297E-04 0.270E-03
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   -.389E+03 -.139E+03 0.172E+02   0.422E+03 0.121E+03 0.883E+01   -.357E+02 0.197E+02 -.275E+02   -.192E-03 0.645E-04 0.312E-03
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 -----------------------------------------------------------------------------------------------
   -.194E+02 -.666E+01 0.274E+02   -.929E-11 -.455E-12 -.597E-11   0.194E+02 0.664E+01 -.274E+02   0.219E-03 0.172E-02 -.104E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.58515      3.18004      1.37896         0.973175     -1.702515      0.062238
     12.37161      3.62841      2.70190         1.258127     -1.485382      0.918742
     12.40048      5.01485      3.01358         1.590863     -0.067857     -0.138766
     12.78903      4.10447      0.34368         0.234068     -0.473274      0.487375
     12.84625      5.46066      0.64845         0.126102      0.061476      0.399971
     12.67624      5.95406      1.97540         0.339014      0.495532      0.136605
     12.54733      1.64546      1.27279         1.666028     -1.631856     -2.192612
     12.13839      2.39605      3.63227         0.556368     -0.363620      2.690195
     12.81694      7.45956      2.20737         0.046553     -0.416821     -0.203515
     12.66635      8.05638      3.49114         0.668466      0.119965     -0.352211
     12.87284      9.44334      3.63948         1.039522      0.915329      1.077245
     13.14126      8.31313      1.09859        -0.151989     -0.141530      0.351152
     13.32545      9.69380      1.24733         0.025288      0.053771      0.468510
     13.21807     10.25095      2.53432         0.827571      1.202845      0.486294
     13.40304     11.74163      2.95622         0.641656      2.588062     -2.552756
     12.80225     10.30195      4.92697         1.912967     -1.002955      3.225722
     13.27753     12.91830      5.36498         2.146897     -1.749996     -0.568835
     12.98767     12.81058      6.74129         1.453575     -0.777655     -0.797965
     13.11276     13.89613      7.55779         1.740447      0.080251     -1.057783
     13.65017     14.20227      4.85938         1.464898     -0.406722      0.285163
     13.74821     15.31979      5.69909         0.996240      0.001413      0.082368
     13.47026     15.17960      7.09778         0.901945      0.734743     -0.015522
     13.59899     16.33845      8.04386         0.360742     -1.036455      0.107274
     13.18738     16.20204      9.39732        -0.009315     -0.290217      0.138258
     13.34877     17.26253     10.30024         0.024618     -0.059705     -0.160789
     14.12754     17.59041      7.64204         0.735175     -0.585063      1.642967
     14.28197     18.63827      8.53348         0.397992      0.040652      0.657607
     13.90908     18.47212      9.86770         0.025391     -0.014481      0.248317
     12.56408     14.90726      9.88253        -0.540365      1.145804      1.266790
     14.15085     16.67534      5.11534         1.048167     -1.827763     -0.799693
      9.74395      3.83378      4.83943        -0.305292     -1.329380     -0.511420
     10.01093      4.77323      3.84063        -0.821839     -0.601632     -1.369092
     10.09290      6.13763      4.15464        -0.569102     -0.118524      0.382729
      9.55056      4.21170      6.17370         0.300232      0.038442     -0.669293
      9.66177      5.55069      6.50190         0.234501      0.321696     -0.225043
      9.96675      6.53958      5.51094        -0.174025      0.476054      0.151091
      9.68890      2.41492      4.30110        -1.306026     -2.944312      1.949408
     10.19372      4.06952      2.45968        -0.451562      1.547868     -3.267038
     10.12934      7.98591      5.91086        -0.354167     -0.407207      0.197953
     10.51052      8.93898      4.94031        -1.665539      0.267842      0.174464
     10.63658     10.27717      5.31306        -2.109328      1.448586     -0.783281
      9.90335      8.41415      7.25958         0.226511     -0.085863     -0.391613
     10.04036      9.76258      7.62590         0.043087      0.360741     -0.421872
     10.38794     10.70706      6.64080        -0.822780      1.565503      0.074450
     10.56179     12.22471      6.76815        -1.275368      1.303727      2.633148
     11.05689     11.49112      4.44534        -0.750272      0.987304     -2.441965
     11.25747     14.09966      4.96699        -2.092198     -1.140375      0.005566
     11.66959     14.43030      3.65769        -1.572051     -0.569319      0.280295
     11.92259     15.74354      3.32998        -0.703153     -0.276715      1.245878
     11.11913     15.12055      5.92051        -1.055582     -0.142574     -0.233676
     11.30577     16.45688      5.55692        -1.146027      0.370398     -0.289831
     11.71904     16.79028      4.22796        -1.744605      0.846527     -0.192041
     11.96747     18.23622      3.84007        -0.000250     -0.413616     -0.481610
     12.34137     18.59803      2.52874         2.980422      0.087860      0.647317
     12.38309     19.94320      2.13898         1.728606      0.532440      0.497913
     11.82402     19.27846      4.77046         0.309494      0.498560     -1.327421
     11.92904     20.60389      4.43572         0.525101      0.936604     -0.648845
     12.19205     20.96132      3.09936         1.229056      1.472839     -0.137891
     12.63408     17.48737      1.42737         1.807879      0.809125     -0.972875
     11.05911     17.54780      6.61536        -1.179283     -1.169459      0.897045
      9.74770      7.19385     14.52790         2.639021     -2.708953      0.132908
      9.59942      7.66093     15.86394         1.503257     -1.755406      0.993894
      9.73032      9.05372     16.18711         1.869053     -0.349244     -0.412331
      9.99222      8.13829     13.48508         0.903510     -0.394553      0.664451
     10.11684      9.50464     13.80041         0.511952     -0.332926      0.468516
      9.98625      9.98865     15.15681         0.684273      0.607325      0.116045
      9.55401      5.71240     14.46839         2.904187     -1.119798     -0.386893
      9.33396      6.46518     16.80279         2.097347     -0.374947      2.866433
     10.14200     11.48616     15.45945         0.123199     -0.552913     -0.110244
     10.01027     12.02136     16.77709         0.986232      0.032112     -0.342427
     10.16005     13.41358     16.98507         1.104616      0.746504      1.204961
     10.44143     12.39357     14.38811        -0.126728     -0.259748      0.311195
     10.59181     13.76085     14.60132        -0.004456      0.048381      0.396466
     10.43267     14.26403     15.90352         0.749338      1.206516      0.533960
     10.50121     15.75025     16.33314         0.474564      2.723402     -2.482240
     10.04908     14.23882     18.31922         0.700665     -1.130484      3.317697
     10.26833     16.94644     18.78381         1.296774     -1.429467     -0.763949
     10.07129     16.83708     20.17609         0.373785     -0.502257     -1.076038
     10.02935     17.97009     20.96220        -0.236865      0.197775     -2.114725
     10.44140     18.25859     18.23513         1.331924     -0.319033      0.440502
     10.42063     19.40809     19.05303         0.938659      0.076449      0.069130
     10.22319     19.27745     20.46560         0.236592      0.841603     -0.245173
     10.23020     20.46484      0.11500         0.337269     -1.086910     -0.210163
      9.95608     20.30658      1.50147        -1.201488      0.400607     -0.047389
      9.92073      0.13496      2.35447        -1.402813      0.215909     -0.452406
     10.49981      0.51587     20.92812         1.591082     -0.670943      1.970670
     10.42509      1.62595      0.50853        -1.144845      0.415495      0.614290
     10.11453      1.44655      1.85676        -1.602047      1.367832      0.734764
      9.68541     18.95493      2.08910        -2.264284      2.340773      1.415613
     10.62033     20.77747     18.41765         2.038346     -1.619414     -0.700436
      7.24341      7.58273     17.56978        -1.237982     -0.891518     -0.434536
      7.52097      8.52208     16.57905        -2.111776     -0.430828     -1.104428
      7.61719      9.90216     16.88639        -1.432009      0.293928      0.448779
      7.06225      7.98053     18.91084         0.058153      0.088185     -0.395013
      7.09899      9.33288     19.21603         0.185933      0.320939     -0.183944
      7.38097     10.33461     18.22205        -0.274499      0.575974      0.122697
      7.15985      6.14026     17.00175        -2.412969     -2.245687      1.375903
      7.70657      7.78775     15.19965        -1.241221      1.370775     -2.702176
      7.38776     11.82147     18.63822        -0.185875     -0.594708     -0.024953
      7.73905     12.85877     17.72501        -1.351614      0.250190      0.141952
      7.73086     14.20015     18.16008        -1.126701      1.444839     -0.846984
      7.02675     12.19389     19.97246         0.526515     -0.266736     -0.621075
      7.00017     13.53603     20.39205         0.457862      0.257021     -0.695194
      7.34695     14.53546     19.47883        -0.467358      1.469002      0.103094
      7.38240     16.05752     19.71661        -0.910000      1.507124      2.514841
      8.09487     15.48653     17.39319        -0.180478      0.809410     -2.140581
      8.05618     18.11888     18.07988        -1.760237     -1.404896     -0.034727
      8.64101     18.50748     16.85175        -1.843967     -1.092862      0.205430
      8.83789     19.83487     16.56780        -0.452790     -0.746680      1.834618
      7.70197     19.12281     19.00592        -0.786092     -0.723883     -0.105611
      7.89055     20.47889     18.69369        -1.695381     -0.173513     -0.647224
      8.42776     20.87271     17.44110        -2.836355      0.274463     -0.834606
      8.68132      1.08812     17.06674        -1.039745     -0.604597     -0.561586
      8.95810      1.43689     15.73660         0.417886     -0.406651     -0.097410
      9.16557      2.77777     15.36655         0.655037      0.242659      0.326581
      8.62640      2.14888     18.02331         0.640931      0.447065     -1.156129
      8.81824      3.46168     17.67579         0.647273      0.888328     -0.457779
      9.09229      3.81401     16.32609         1.304302      1.242703     -0.535639
      9.04248      0.36989     14.66345         2.169041      0.884710     -0.901475
      7.48011      0.27979     19.72122        -2.007757     -1.067894      0.302750
      7.05936     10.85326      6.10959        -0.325076     -1.374791      0.021319
      6.85599     11.33717      7.41977        -0.338242     -1.162999      0.665207
      6.97036     12.70507      7.71102         0.018085     -0.100932     -0.295844
      7.39917     11.72881      5.07019        -0.202482     -0.287566      0.422339
      7.53065     13.09282      5.35342        -0.152196      0.137751      0.409940
      7.30071     13.61739      6.66122         0.078566      0.427188      0.036215
      6.87189      9.31710      6.03274         0.321250     -1.680755     -2.125371
      6.51107     10.15330      8.37385        -0.382810     -0.178346      2.723075
      7.42059     15.12203      6.89726        -0.032098     -0.432611     -0.081518
      7.12158     15.72675      8.15643         0.044034      0.182577     -0.241639
      7.23329     17.12297      8.29839        -0.132740      1.002763      0.990647
      7.82571     15.96615      5.81676        -0.286529     -0.210393      0.371192
      7.93348     17.34971      5.96385        -0.630331      0.177856      0.467458
      7.66425     17.92597      7.22011        -0.281417      1.398009      0.485462
      7.77349     19.42403      7.62978         0.741237      2.411956     -1.738855
      6.96435     18.01131      9.55081         0.007418     -0.773681      2.503340
      7.27191     20.68178     10.00080         1.080631     -1.336699     -0.960520
      6.77938     20.60613     11.32187         2.046101     -0.438757     -0.901240
      6.74445      0.46162     12.11826         0.514492      0.516877     -2.549892
      7.70845      0.68872      9.54118         0.236372     -0.412434      0.026861
      7.67089      1.82794     10.37744         0.609439     -0.065774      0.128766
      7.22348      1.72468     11.73193         0.651710      1.307466     -0.292453
      7.25759      2.91338     12.68875         0.374688     -1.559121     -0.114364
      6.87311      2.77847     14.06172        -0.064037      0.618892      0.039721
      6.94627      3.87520     14.94371        -0.741793      0.391230     -0.341481
      7.68262      4.18711     12.26926         0.777273     -0.894277      2.078678
      7.75102      5.31525     13.15530         0.414273     -0.465380      1.239059
      7.35493      5.15077     14.51265        -2.045957      1.649252      0.758618
      6.38797      1.46523     14.59197        -1.421872      3.763854      1.439559
      8.13770      3.15620      9.83113         1.477764     -1.917653     -0.650261
      4.04237     11.51602     10.79515        -0.225063     -1.302124     -0.561551
      3.74796     12.41566      9.74460        -0.276231     -0.851572     -1.025837
      3.82097     13.80662      9.94921         0.122728     -0.301840      0.206724
      4.37267     11.99133     12.07794        -0.098985     -0.132849     -0.512574
      4.42848     13.37652     12.29527        -0.072002      0.235430     -0.446756
      4.17810     14.31279     11.24000        -0.050629      0.295025      0.190656
      3.93525     10.03578     10.31601         0.226231     -2.593762      1.703254
      3.36470     11.62298      8.43716        -0.902569      1.011149     -2.685188
      4.28384     15.81318     11.50193        -0.095827     -0.526137      0.039718
      4.18416     16.74008     10.43174        -0.478440      0.202692      0.409537
      4.35865     18.11041     10.68920        -1.143345      1.187766     -0.632870
      4.52456     16.31219     12.82376         0.268582     -0.194911     -0.589628
      4.67275     17.68319     13.06812         0.599183      0.005816     -0.937279
      4.57311     18.58103     11.99931        -0.600406      1.137789     -0.377235
      4.70921     20.09077     12.02017        -0.720842      0.280934      1.572407
      4.36892     19.28888      9.67929        -0.850329      0.167620     -3.032010
      4.77074      0.70483     10.07263        -0.918494     -1.399482      0.354997
      5.00977      1.00174      8.71414        -0.505245     -0.741396      0.690530
      5.30911      2.30109      8.33130        -0.671436     -0.531545      1.301454
      4.76584      1.77039     11.00442        -0.708137     -0.195029     -0.298603
      5.00470      3.09725     10.60212        -1.043647      0.263198     -0.185482
      5.32136      3.36515      9.23168        -0.843813      0.515084      0.100697
      5.71996      4.80842      8.75824         2.037894     -0.150039     -0.023921
      6.07426      5.08002      7.44973         2.108604      0.036520     -0.492540
      6.35340      6.40701      7.03592         1.071269      0.677823      0.467372
      5.67958      5.92728      9.68044         2.435401      0.012608     -1.132457
      5.89979      7.19645      9.28269         1.359508      1.449529     -0.669680
      6.24922      7.47425      7.92792         0.803615      1.447062     -0.511136
      6.16684      3.93331      6.40853         1.198329      0.775185     -1.309679
      4.90828      4.20062     11.65362        -2.249040     -1.627343      0.839203
      1.50844     14.37500      0.54074        -0.817631     -1.414486      0.793228
      1.94560     14.78896      1.82375        -0.279936     -1.326276      1.352825
      1.81095     16.16728      2.20697        -0.614624     -0.148775     -0.128792
      0.95537     15.31933     20.88869        -2.001969     -0.247334      1.370447
      0.90133     16.64214     21.21823        -0.396044      0.571896      0.706426
      1.28238     17.13031      1.25197        -0.205203      0.321862      0.765415
      1.69128     12.89451      0.32502        -1.656600     -1.366329     -0.284030
      2.52406     13.51015      2.59035         1.039619      0.413232      3.491869
      1.09786     18.64887      1.49095        -0.037849     -0.833456      0.049514
      1.45536     19.29772      2.71394        -0.433823      0.058377     -0.334101
      1.34059     20.69762      2.79759        -0.066505      0.722713      1.231204
      0.56437     19.46875      0.42614         0.080294     -0.553057      0.352212
      0.43139     20.84695      0.53197        -0.103274     -0.052144      0.846091
      0.84599      0.20092      1.72430        -0.879415      1.117629      0.410771
      0.84573      1.70324      2.02503        -1.289779      2.257644     -1.483658
      1.70903      0.37391      3.97686         1.118558     -0.825201      2.895676
      1.58976      3.02795      4.18752        -0.309270     -1.203151     -0.772040
      2.14027      2.96073      5.47162        -0.510419     -0.413728     -0.917059
      2.37628      4.12099      6.15615        -1.637113      0.150685     -1.440451
      1.25503      4.28347      3.63331        -0.575338     -0.118320      0.266862
      1.51109      5.46605      4.34422        -0.399848     -0.137366      0.285864
      2.13547      5.39951      5.63256        -0.534362      1.015022      0.049372
      2.48791      6.62379      6.42968        -1.571506     -0.564073      0.800766
      3.06687      6.50770      7.69709        -0.470758      0.178628     -0.085983
      3.38102      7.64438      8.46253        -0.494252      0.595120      0.023693
      2.27800      7.96178      5.94094        -1.647088      0.104548      2.364938
      2.63504      9.07743      6.65491         0.005903      0.794368      1.036719
      3.15746      8.93912      7.96628         0.473248      1.215191      1.201156
      3.32917      5.15742      8.29177        -1.624742      2.120477     -0.000896
      1.08731      6.79546      3.73378        -2.434832     -1.687733      0.001983
      4.61847     14.05273      0.77637        -0.225574     -1.208250     -0.478358
      3.80689     14.98086      0.07507         0.414633     -0.573263     -1.511736
      3.82160     16.37343      0.42139         1.213448     -0.043532     -0.286359
      5.45440     14.49709      1.83523        -0.591669      0.088403     -0.268904
      5.46087     15.85517      2.19056        -0.385821      0.305531     -0.299729
      4.66506     16.84233      1.49510         0.101395      0.396491     -0.005350
      4.46344     12.59188      0.22119         1.587014     -2.165662      0.954225
      2.97737     14.19929     20.23635        -0.218088      1.334304     -2.821498
      4.76064     18.36102      1.93850        -0.014158     -0.566210     -0.245343
      4.02590     19.43047      1.30231         0.587603     -0.061802      0.115692
      4.15879     20.76370      1.77219        -0.199528      1.199190     -0.410269
      5.62711     18.72226      3.03345        -0.452577     -0.134601     -0.480142
      5.76316     20.04846      3.47855        -0.343923      0.221684     -0.322881
      5.02616     21.06617      2.84632        -0.097190      1.306774      0.143903
      5.03921      1.33220      3.18277         1.611380      1.449086      1.962429
      3.46358      0.83727      1.27070        -1.157695      0.495535     -2.592902
      3.67696      3.47846      2.15827         0.857458     -1.120094     -0.303519
      2.85022      4.02189      1.13928         0.871295     -0.473977      0.451905
      2.63563      5.41036      1.07731        -0.020988     -2.054494      2.066304
      4.20543      4.36838      3.13354         0.218870     -0.300095     -0.299772
      3.96978      5.76474      3.07218         0.325153     -0.300091     -0.902292
      3.23059      6.32650      1.97754         1.573068      0.481381     -0.591142
      3.06650      7.92302      1.84817         2.611577     -0.003502     -2.117455
      2.35639      8.48044      0.78870        -0.020163      0.816068      0.154893
      2.16415      9.89260      0.69597        -0.434650      0.343873      0.681671
      3.57703      8.87993      2.86145         1.218906      0.731270     -2.511530
      3.34258     10.22561      2.80103        -0.243247      1.319556     -0.635722
      2.61784     10.78468      1.69504        -0.838747      1.096650     -0.399193
      1.82062      7.54957     21.00444        -0.654497      1.072237      1.905451
      4.55113      6.66996      4.14788         1.268723     -1.663152     -0.920825
     18.36306     17.33981     13.24160        -0.265692     -1.568664      0.291898
     19.47957     17.84062     13.94214        -0.250226     -1.415947      1.688223
     19.65807     19.22983     14.11896        -1.253445     -0.252547      0.875294
     17.42665     18.22072     12.66418         0.328823     -0.202647      0.241338
     17.60158     19.59977     12.83611         0.244824     -0.021596      0.226282
     18.69072     20.12755     13.59935        -0.247609      0.263394      0.249709
     18.37442     15.78011     13.22642        -2.605889     -1.845432     -1.359546
     20.36399     16.68255     14.41457         0.767327     -0.422000      1.652991
     18.79966      0.34976     13.85648        -0.149034     -0.396081     -0.189512
     19.88922      0.90100     14.58897        -0.292962      0.264669      0.042081
     19.91081      2.27291     14.86734         0.629569      1.169116      0.929802
     17.76951      1.21998     13.39224         0.340963     -0.278652      0.123752
     17.78034      2.57818     13.69193         0.463555      0.287171      0.320588
     18.84736      3.09785     14.43815         0.178282      1.469830      0.455163
     19.04223      4.54664     14.88200        -2.140937      2.462741     -0.383055
     20.92819      3.11372     15.64819        -0.152063     -0.435580      3.013536
     21.00386      5.73714     16.32247        -2.068725     -2.134351      1.882159
      1.07168      5.64296     16.87661        -2.362432     -0.240963      2.125983
      1.68408      6.76436     17.41230        -3.595922      0.627961     -2.033903
     20.37721      6.98653     16.36750        -0.629375     -0.390465      0.725825
     20.96511      8.11361     17.01881        -0.779658     -0.180618      1.467121
      1.01776      8.00757     17.56093        -1.270961      1.154121      0.608154
      1.67107      9.23293     18.23361         0.710781     -1.535616     -0.617111
      2.95536      9.10124     18.95272         0.936107      0.321054     -0.481965
      3.46665     10.19144     19.65198         0.942216     -0.242382     -0.095298
      1.06010     10.41716     18.32256        -0.668872     -0.608870      4.730414
      1.68103     11.63724     18.86711         1.113970     -0.475307      2.257244
      2.87768     11.47828     19.60515         3.317034      1.874444     -0.639768
      3.68302      7.77977     18.94317         1.977473      2.477231      0.254239
     20.17169      9.38551     17.09652        -1.173902     -2.085704      1.253128
      2.08853     18.13708     14.10935        -0.372468     -1.276540     -0.597486
      1.23440     19.10411     13.55514        -0.611985     -0.826337     -1.146077
      1.40437     20.46598     13.84858         0.408030     -0.322488     -0.034137
      3.17389     18.51290     14.92085        -0.974257      0.286357      0.521516
      3.40449     19.87869     15.15045        -0.623729      0.343471      0.057959
      2.50094     20.88572     14.64516         0.099794      0.443306      0.295240
      1.62835     16.71006     13.73293         1.217230     -3.058145      2.367354
      0.16435     18.44465     12.64923        -1.081457      1.041070     -3.065371
      2.69675      1.10683     14.94097        -0.099043     -0.585056     -0.151570
      1.76856      2.05167     14.46361         1.492879      0.246526     -0.787911
      1.93325      3.44290     14.80813         0.730176      1.383522     -1.762662
      3.80592      1.56563     15.73814        -1.550291     -0.035915      0.994342
      3.97220      2.91151     16.05812        -0.660258      0.152828      0.107064
      3.02553      3.85142     15.58757         0.661975      1.634897     -0.533010
      3.01473      5.34303     15.81163         3.590721      0.451207      0.093346
      1.04180      4.64518     14.43098        -0.561640      0.993216     -3.905865
      1.23619      7.27731     15.01420         2.192673     -1.094873     -2.766456
      0.04501      7.57650     14.35539         1.090088     -0.588785     -0.672988
     20.84486      8.88452     14.29424         1.753278     -0.285654      0.066774
      1.94154      8.31932     15.66333         0.656198     -0.047112     -1.566672
      1.50257      9.65483     15.55725         1.193346      0.224408     -1.923431
      0.29405      9.94291     14.82713         1.641237      1.041879     -1.898898
     21.02586     11.37919     14.68767        -0.080004     -0.559251     -0.376261
     19.76964     11.62635     14.08982        -1.100280     -0.162486      1.826501
     19.33273     12.93530     13.85739        -0.486638      0.378363      1.081081
      0.50324     12.49010     15.14920        -1.337400      0.449765     -0.661578
      0.06749     13.78475     14.95513        -0.889110      0.498897      0.452841
     20.11504     14.02262     14.27611        -0.922956      1.270210      0.772976
     18.84704     10.45560     13.59321        -1.690883      1.024073     -0.260975
      2.32387     10.71976     16.20074         1.612854     -1.640883     -1.896966
     16.21817      0.45275      5.08565        -0.174668     -1.452839      0.018623
     17.13232      0.96290      6.02876        -0.163949     -1.231912      0.942094
     17.16802      2.33072      6.33340        -0.811438     -0.270747      0.315771
     15.27310      1.28882      4.48145         0.488017     -0.301549      0.248102
     15.30924      2.65716      4.76648         0.345127      0.251090      0.322103
     16.25572      3.21138      5.67676        -0.226521      0.530734     -0.011324
     16.41614     20.20113      4.86829        -1.799284     -1.991481     -1.590711
     18.01282     21.07657      6.56971         0.107829     -0.616513      2.870849
     16.27497      4.71228      5.93960        -0.168922     -0.332075     -0.133491
     17.19135      5.29384      6.86445        -0.354142      0.226498     -0.052010
     17.15747      6.67958      7.09293         0.590055      0.977396      0.736591
     15.35703      5.57645      5.25635         0.331665     -0.223081      0.252992
     15.33675      6.95985      5.48647         0.391558      0.107512      0.383542
     16.24011      7.51017      6.41301         0.231407      1.327042      0.447140
     16.40352      9.00079      6.83922        -1.539255      2.530321     -0.991023
     18.02699      7.52224      8.06214         1.278828     -0.889987      2.541652
     18.09724     10.17461      8.59905        -1.392277     -1.115968     -0.331935
     19.14025     10.03064      9.51928        -2.071503     -0.356097      0.123506
     19.64123     11.12610     10.19094        -1.664917      0.446063     -0.981478
     17.58273     11.47428      8.36781        -0.218035     -0.131983      0.112851
     18.09412     12.58855      9.05620        -0.429257      0.066467      0.306083
     19.15540     12.43004     10.00757        -0.705217      0.940658      0.392040
     19.73739     13.60336     10.76030        -0.488133     -1.115742      0.140263
     20.85139     13.42255     11.63149         0.573077      0.872521     -0.219336
      0.20804     14.50629     12.25169         0.526174      0.120324     -1.157919
     19.23468     14.91111     10.63167         0.121071     -0.634974      3.021324
     19.83920     16.02961     11.28702        -0.216717     -0.277744      1.596843
     20.98174     15.81920     12.06023         1.662658      1.437882     -0.482363
      0.16858     12.05886     11.89926         2.426501      2.863515      0.221930
     17.51165     13.97025      8.76765        -1.409964     -1.405224     -0.714361
     20.09738      1.24981      6.27989         1.077243     -0.760727     -1.321483
     19.57622      2.29218      5.52118         0.051547     -0.145867     -1.562177
     19.75593      3.62651      5.92481         0.513461     -0.205088      0.082841
     20.78866      1.49199      7.49299         0.384217      0.185933     -0.636798
     20.95349      2.80283      7.90678        -0.197469      0.387561     -0.166772
     20.44922      3.90210      7.12338         0.093876      0.442026      0.222354
     19.78004     21.13945      5.61337         2.778647     -2.773510     -0.459775
     18.83570      1.77015      4.25834        -0.909045      1.609645     -2.670907
     20.65341      5.33272      7.56335         0.131893     -0.293506     -0.042251
     20.20266      6.37886      6.71909         0.675464      0.181849      0.073951
     20.39988      7.70784      7.10164         0.598812      1.277460     -1.149731
      0.03382      5.67093      8.80038        -0.643789      0.073892     -0.255032
      0.24117      7.00734      9.17639        -0.008264      0.430521     -0.603625
     21.03125      8.02889      8.32049         0.847767      1.102080     -0.677078
     21.08611      9.55389      8.50110         1.753171      0.041718      0.535215
     19.97246      8.98670      6.34284        -1.205856      0.512194     -2.790084
     20.18260     11.60401      6.96037         0.485718     -1.483487      0.170056
     19.39395     11.97865      5.85529         0.552680     -0.721286      0.519181
     19.07967     13.31169      5.64746         0.812660     -0.411366      1.155743
     20.71398     12.62730      7.79517         0.440547     -0.249256     -0.478395
     20.44285     13.98041      7.53889         0.928179      0.018226     -0.815277
     19.54935     14.34387      6.46669         1.215494      0.856608     -0.501821
     19.11051     15.79122      6.25143         0.344205     -0.788773     -0.868619
     18.23180     16.12379      5.18321         0.140716     -0.184703     -0.187600
     17.73567     17.43277      5.05497         0.469286      0.337892     -0.192336
     19.51321     16.84309      7.11406        -1.102277      0.175227     -0.936374
     19.04903     18.13053      6.97863        -1.124123      0.319250      0.015132
     18.11769     18.44418      5.95553        -0.688692      1.075150     -0.116139
     17.80134     15.08021      4.14589        -0.471185      1.392564     -0.660150
     21.09263     15.06344      8.41236         1.799817     -1.412714     -0.978167
     12.18133      5.34071      4.03623         0.644650     -0.183569     -0.298452
     12.89998      3.73588     20.58810         0.091997      0.023145     -0.235124
     13.02644      6.17673     21.09809        -0.084998     -0.372155      0.103820
     12.38719      7.45787      4.36819         0.286440      0.113545     -0.248799
     13.25725      7.85963      0.09814        -0.033170      0.473130      0.459940
     13.55172     10.34829      0.40190         0.035744     -0.133805      0.005688
     12.91339     13.76298      8.60401         1.550348     -1.583189     -2.530703
     12.67363     11.84473      7.12927         0.504843     -0.076025      0.171499
     13.85789     14.29599      3.79857         0.463391     -0.153799      0.103996
     13.03378     17.13654     11.33448        -0.002133      0.033209      0.036568
     14.38753     17.73470      6.60594         0.112731      0.888298      2.668103
     14.69836     19.59406      8.18860        -0.082778     -0.171616      0.054393
     10.24430      6.85850      3.34786        -0.039737     -0.083619      0.119569
      9.32205      3.44809      6.89820         0.240245      0.056725     -0.128472
      9.50869      5.85466      7.54680         0.105761     -0.127208     -0.323347
     10.73362      8.65351      3.91525        -0.625297      0.164219      0.186988
      9.60812      7.67179      8.02094         0.125748      0.446796     -0.274313
      9.88596     10.10948      8.65220        -0.062617     -0.139520     -0.071209
     12.28385     15.96792      2.34178        -0.081132     -1.964444      2.252475
     11.79804     13.63899      2.92114        -0.032690      0.132879     -0.058105
     10.86984     14.86166      6.93496        -0.410406      0.008331      0.105737
     12.55671     20.20335      1.09640         0.225802      0.032109      0.169558
     11.63674     19.02319      5.80357         0.929363      2.130066     -2.247482
     11.81362      0.12061      5.18478        -0.052788      0.087212      0.128645
      9.59930      9.35645     17.22773         0.833875     -0.160242     -0.207100
     10.09315      7.75362     12.47062         0.002006      0.185354     -0.093033
     10.30884     10.22463     12.98729        -0.129271     -0.442208      0.280317
      9.78148     11.37611     17.63656         0.242854      0.187291     -0.257793
     10.56013     11.99797     13.36809        -0.000561      0.276522      0.346756
     10.83659     14.45261     13.79849        -0.024010     -0.012866     -0.164089
      9.84617     17.85272      0.75369        -0.210621     -1.521531     -3.824819
      9.96155     15.84429     20.62313         0.013119      0.159694     -0.072734
     10.58320     18.36541     17.16302         0.839048     -0.224409      0.330460
      9.76411     -0.00641      3.41153        -0.366075      0.046280      0.166716
     10.70919      0.67586     19.87978         1.208409      0.876205      2.912222
     10.64180      2.62029      0.13071        -0.403134      0.021049     -0.181274
      7.88072     10.61184     16.08996        -0.485153     -0.188472      0.298736
      6.89875      7.21029     19.66549         0.011322      0.144817     -0.011040
      6.89517      9.65447     20.24859         0.194988     -0.262492     -0.320922
      8.03356     12.63538     16.69468        -0.754737      0.145698      0.313375
      6.74732     11.41431     20.70031         0.195650      0.510380     -0.339433
      6.71797     13.83316      0.13957         0.319262     -0.224805     -0.159850
      9.33953     20.11261     15.64139         1.805205     -2.582213      3.287394
      8.95547     17.73818     16.14816        -0.077090      0.163757     -0.105312
      7.26504     18.84549     19.95808        -0.046062     -0.074199      0.107161
      9.38605      3.02879     14.33802         0.229601      0.009265     -0.108397
      8.41719      1.88745     19.06573         1.460099      1.869497     -1.433895
      8.77712      4.25232     18.42823         0.169512     -0.273989     -0.035291
      6.81032     13.05343      8.73780         0.031113     -0.100847     -0.186607
      7.54584     11.32410      4.07110         0.075114      0.064407     -0.145987
      7.82623     13.77734      4.54265        -0.178363     -0.408883      0.244431
      6.80923     15.12253      9.01514         0.028142      0.116973     -0.134181
      8.06315     15.51069      4.84197        -0.069617      0.357499      0.377047
      8.21987     17.99814      5.13708        -0.104446     -0.193818     -0.010914
      6.32453      0.36486     13.12781        -0.775118     -0.920656     -4.618490
      6.39025     19.63349     11.67589         1.147670      0.222006      0.018391
      8.09098      0.77784      8.52356        -0.083073     -0.033473      0.022313
      6.67578      3.73843     15.98912        -0.089051      0.121164     -0.169306
      7.95956      4.35052     11.23634         0.206540      0.858610      2.739759
      8.03905      6.28820     12.78270        -0.678921      0.262707     -0.349304
      3.59950     14.48884      9.11817         0.004992     -0.250141      0.165598
      4.57424     11.27141     12.87674         0.001027      0.130359     -0.037995
      4.67061     13.75603     13.30237        -0.073434     -0.274307     -0.419449
      3.98404     16.41497      9.41094         0.081340      0.037002     -0.018601
      4.59543     15.60867     13.66492         0.019484      0.347152     -0.301900
      4.85068     18.08140     14.06244         0.724675     -0.295299     -0.560606
      5.53439      2.49048      7.29195        -0.980104     -1.869666      2.126369
      4.95055      0.19793      7.97507         0.079437      0.086638      0.025579
      4.57226      1.55571     12.04828        -0.273462      0.085777     -0.085560
      6.65465      6.59242      6.01045         0.417530      0.145614      0.512976
      5.40427      5.71450     10.71559         0.469406      2.152793     -2.578025
      5.81056      8.02361      9.98675         0.055790     -0.119293      0.042893
      2.10764     16.48390      3.22499        -0.119855     -0.200376     -0.484478
      0.61674     14.93092     19.93551        -1.443949      0.272076      0.676781
      0.54587     17.35194     20.46213        -0.009531     -0.400797      0.164829
      1.81464     18.73388      3.58123         0.006205      0.079997     -0.139140
      0.24576     18.99511     20.74545         0.086407      0.285115      0.352878
      0.02611      0.21204     21.00048        -0.017239     -0.040143     -0.217751
      2.77888      4.02682      7.14171        -2.450566     -1.606815     -2.861051
      2.35846      1.98930      5.90303         0.037399     -0.059638      0.110121
      0.80630      4.32616      2.64466        -0.136628     -0.040608      0.133104
      3.80494      7.51915      9.44462        -0.344242      0.180893      0.229739
      1.86467      8.06950      4.92955         0.704504      1.346840      2.801495
      2.50700     10.07609      6.23447        -0.051543     -0.014659     -0.003545
      3.17580     17.07582     21.12359         0.707410     -0.414625      0.113477
      6.07870     13.75404      2.34896        -0.149173      0.243713      0.043959
      6.09959     16.18278      3.03406        -0.296386     -0.317929     -0.512048
      3.35729     19.22793      0.45056         0.355262      0.103446      0.290737
      6.21002     17.93259      3.54233        -0.288338      0.501574     -0.207170
      6.42113     20.32389      4.30415         0.075934     -0.135487      0.046388
      1.99838      5.79673      0.28020         0.036654     -3.417499      2.566432
      2.37705      3.33981      0.41756         0.198102      0.427055      0.147671
      4.80925      3.96471      3.94668        -0.135620      0.041960     -0.246086
      1.65951     10.29197     21.07478        -0.311350     -0.273627      0.672284
      4.10770      8.44379      3.71421        -0.736131      2.763024     -1.949409
      3.73318     10.90441      3.57389        -0.181140     -0.234771     -0.107026
     20.54743     19.59334     14.64349        -0.509046     -0.124353      0.142886
     16.58868     17.80665     12.10069        -0.035660      0.091473     -0.024587
     16.88514     20.30094     12.37006         0.263736     -0.511221      0.221859
     20.71169      0.27810     14.94338        -0.230964      0.029532      0.133441
     16.94882      0.81477     12.78732         0.170395      0.198086      0.246436
     16.98771      3.24740     13.36981        -0.139856      0.058106     -0.094259
      2.74636      6.68173     17.68536        -1.569332     -0.222582     -5.087999
      1.57852      4.67229     16.84121        -0.465737     -0.000823      1.143091
     19.39362      7.10159     15.90640         0.020669     -0.164095      0.202950
      4.37062     10.07456     20.24634        -0.083223     -0.049141      0.046405
      0.10731     10.58248     17.85617         1.394836      0.356160      2.885309
      1.26583     12.59889     18.65289         0.053451      0.406326     -0.628471
      0.67804     21.18284     13.46195         0.247122     -0.124542     -0.202056
      3.81941     17.72605     15.33254        -0.498939      0.332127      0.391314
      4.29693     20.19301     15.72452        -0.532345     -0.255111     -0.195759
      0.90283      1.77625     13.85420         0.300785      0.081162      0.049634
      4.56774      0.84026     16.07208        -1.261360      0.456991      0.317563
      4.80426      3.27604     16.66052        -0.094713     -0.141754      0.074585
     19.91400      9.07074     13.80321         2.320550     -1.912729      0.707299
     20.74484      6.78052     13.87077         0.027757     -0.036180     -0.204700
      2.83499      8.09532     16.23446         0.368750      0.197824     -0.859029
     18.39091     13.11572     13.35722        -0.168437      0.037295     -0.084232
      1.44556     12.32579     15.65253        -1.585935      1.800352     -1.660364
      0.65229     14.63120     15.30966         0.019114     -0.149200      0.001201
     17.89897      2.69830      7.05710        -0.496118     -0.126099      0.095086
     14.53435      0.84751      3.81834        -0.014910      0.088148     -0.161612
     14.58534      3.31866      4.26773         0.277793     -0.341268      0.202536
     17.92591      4.67970      7.39466        -0.233191      0.160616     -0.000990
     14.64971      5.13861      4.52914         0.328896      0.355745      0.330679
     14.64592      7.62853      4.97133         0.016857     -0.129097     -0.031670
     20.44134     10.96895     10.89372        -1.875477     -1.175834     -2.781161
     19.57476      9.03769      9.68106        -0.705726      0.224845      0.416329
     16.78059     11.59803      7.64684        -0.051501      0.044955     -0.056007
      1.06569     14.34918     12.89123         0.133357      0.049064     -0.117545
     18.39004     15.09591      9.96965         1.341651      0.685751      2.454186
     19.43388     17.02677     11.13065         0.224944     -0.029884     -0.207765
     19.35039      4.41577      5.29390         0.024047     -0.053899     -0.009547
     21.15945      0.63697      8.06519         0.051818      0.214973     -0.037108
      0.23105      3.01508      8.84841        -0.316536     -0.224330     -0.428128
     19.70189      6.16563      5.77725         0.105577      0.127293     -0.023516
      0.38133      4.86342      9.46667        -0.552717      0.652566     -0.148119
      0.74719      7.28273     10.10540        -0.076118     -0.132943      0.005200
     18.45674     13.55950      4.80688         1.155995     -2.078549      1.805531
     19.03546     11.20642      5.17295        -0.058120      0.050042      0.049703
      0.07819     12.34843      8.63971         0.152190      0.072743     -0.217594
     17.03840     17.66750      4.25938         0.155746      0.051226     -0.120799
     20.21451     16.62635      7.90890        -2.008776      1.834845     -1.232509
     19.39105     18.92671      7.63792        -0.185880     -0.375036      0.240829
     14.05536     19.28307     10.58883        -0.095884     -0.059859     -0.051602
     18.63149     20.83055      3.63882         0.768935      1.413007      1.407785
     12.29124      1.18170      2.69985         1.638752      0.106328      0.591546
     13.18144     11.72530      4.49124         2.445870     -0.189159      1.479159
     10.01133      2.58648      2.81179        -1.014997     -0.151192     -0.483608
     10.97075     12.67058      5.36259        -1.742467     -0.204409     -0.541203
      9.33330      5.24115     15.88452         2.656223     -0.708403      0.150565
     10.27990     15.70516     17.87539         1.210553     -0.049220      1.136674
      7.38133      6.32311     15.50255        -3.060800      0.737072     -0.073723
      7.84830     16.62876     18.37713        -1.033287     -0.002218     -0.226760
      6.52709      8.91638      7.47229        -0.080874      0.006646      0.070723
      7.33041     19.43341      9.10553         0.095650      0.110926      0.110066
      3.47838     10.14764      8.85369        -0.130889      0.017498     -0.068741
      4.58898     20.52780     10.55851        -1.530737      0.083940     -0.704976
      2.29886     12.32382      1.55195        -0.198324     -0.104367      0.174297
      1.38365      1.76882      3.43340        -0.336604      0.082591     -0.026244
      3.44164     12.70523     20.37850         2.778285     -0.143649     -1.110541
      4.02737      1.94446      2.20546         0.261599      0.079638     -0.099747
     19.64773     15.43281     14.01066        -0.275507      0.486857      1.521017
     20.37443      4.51792     15.68674        -1.447601     -0.690877      2.800588
      0.44274     16.95292     12.74836        -0.264251      0.510712     -2.062073
      1.72476      5.83590     15.07589         0.772349      0.042838     -3.315861
     17.54931     19.83761      5.80580        -0.991127     -0.385721      0.483742
     17.54080      8.95884      7.86425        -0.137918      0.086259      0.095442
     19.01615      0.27853      4.35731         1.457296      0.877526     -0.311645
     20.42156     10.12609      7.25231         0.543125     -0.025125     -0.908526
     11.87918      2.42725      4.98436         2.244077     -0.472441     -6.450503
     12.73067      0.87762      0.14772         0.813933      3.756457      5.990306
     12.48810      9.86664      6.19637         4.750218      2.024424     -5.494213
     13.76876     12.80967      2.18635        -1.595341     -5.585767      4.219208
     10.44435      4.63464      1.24041        -3.595233     -2.999415      5.826670
      9.41675      1.28767      4.97846         1.015088      5.672689     -3.788227
     11.38328     11.46899      3.07563        -4.388749      0.811123      4.286822
     10.36868     12.99335      7.86736         0.065542     -4.341260     -6.245593
      9.14009      6.50772     18.15664         2.595082     -0.808805     -6.185508
      9.57944      4.89095     13.29540         1.922017      3.068525      4.763856
      9.79956     13.76408     19.57398         2.614776      2.659727     -6.077724
     10.76276     16.82855     15.54950        -0.470721     -5.308841      4.268926
      7.99286      8.38332     13.96718        -5.593603     -2.029427      4.951665
      6.90575      4.98835     17.68178         0.316704      6.028955     -3.843774
      8.53592     15.56435     16.06913        -3.873287      0.109612      5.224851
      7.06380     16.72118     20.86106         1.660724     -3.136197     -6.219476
      6.26088     10.23163      9.70877         1.873657     -0.654779     -6.872265
      6.99641      8.53353      4.93851        -0.078312      4.149871      6.410619
      6.51268     17.59674     10.76461         4.119386      2.342253     -6.505733
      8.17195     20.46579      6.85300        -2.265582     -5.284261      4.458497
      3.01061     12.14352      7.23313         1.851431     -3.078717      6.232681
      4.16330      8.91060     11.05391        -1.680652      5.822251     -3.878915
      4.22307     19.21231      8.33343         0.807891      0.733263      6.792322
      4.90033     20.82970     13.08577        -3.381762     -6.074421     -5.790928
      3.06029     13.45372      3.83795        -2.861481     -0.234278     -6.782276
      1.29489     12.18379     20.44757        -4.824664      2.259191      8.602906
      2.21173      0.02489      5.19431        -2.622126      2.065801     -6.398138
      0.45933      2.72341      1.21002         1.559927     -5.194383      4.572684
      2.07094     14.72597     19.32730         7.514890     -3.702712      1.536672
      5.09880     11.45781      0.65592        -3.313407      5.631897     -2.218581
      2.56993      0.95925      0.25168         5.802051      0.078198      4.926259
      5.79053      1.95327      4.12231        -3.999137     -3.219877     -5.307314
      0.33051     16.78367     15.10832        -5.679238     -0.707851     -0.801316
     17.46167     14.92881     12.67189         4.469778      4.429207      3.649589
      0.87255      2.65831     16.20917        -7.958531      2.058167     -0.340415
     18.22058      5.58814     14.64256         4.436822     -4.972091      1.508813
     20.44642     19.07631     11.93318         5.785468     -3.277137      2.100487
      2.19499     15.51453     14.07537        -1.888375      5.825526     -2.522388
     -0.13278      4.64588     13.67378         7.247933      0.511669      0.839650
      3.89696      6.07522     16.48305        -4.141524     -5.026774     -5.363665
     18.99291     21.18261      7.55134        -7.769402     -1.106664     -1.999269
     15.71852     19.39005      4.02329         3.793475      4.080698      4.290603
     18.98888      7.06872      8.89209        -7.495723      2.612675     -2.626396
     15.69577     10.07473      6.40117         3.966713     -5.551316      2.481043
     18.19688      2.49789      3.31006         3.297572     -4.177138      4.652507
     20.14213     19.89363      6.04851         0.562660      6.338718     -4.759091
     19.34718      9.05418      5.13090         3.084680     -0.020361      6.223203
      0.34759     10.17784      9.51386        -0.878993     -4.933277     -7.255082
     13.21573     17.66714      5.42347         6.590809     -1.718615     -1.748954
     15.43751     17.09574      5.68106        -1.200401     -1.236040     -2.610235
     14.28899     16.61065      3.72738         1.301567      0.467505      3.930815
     11.89801     15.08839     11.13444         1.207645     -1.008057     -2.255108
     11.55742     14.45788      8.91679        -0.723205      2.235596      5.032900
     13.61571     13.88020     10.04633        -2.147025      1.558763      1.517592
     12.27616     18.27401      6.99162        -5.412757     -0.139013      3.157213
     10.09562     18.52487      6.10015         0.622890     -2.155049      2.653211
     10.54475     16.98312      7.82271         0.843076      1.608023     -2.154392
     12.87040     18.10809      0.17087        -0.181186     -1.800027      2.199305
     13.73532     16.70863      1.81016        -1.428020      1.691732     -3.958987
     11.45844     16.52002      1.23429         3.597012     -0.261721     -3.567212
      9.65195      0.45485     18.86925         6.165625     -1.720771     -2.820801
     11.92702      0.05452     18.74467        -1.797844     -0.555721     -1.404289
     10.54986     20.70170     16.99255         5.118389      1.508678      3.514021
      9.48303     19.01161      3.49371        -0.583148     -0.580426     -2.544999
      8.49785     18.36311      1.45972         0.322854      1.119459      3.039114
     10.74120     18.13510      1.85486        -6.819454      1.872393      2.643629
      8.62443      0.77879     20.48429        -6.592149      0.444476      0.748495
      6.84769      1.40791     19.04445        -1.892146     -2.871334      2.711416
      6.56505     20.99194     20.66835         1.560165      1.515478     -1.482078
      8.81443      0.93762     13.31771         4.704020     -1.785853      2.237642
     10.34735     21.02674     14.62991        -1.973800      1.099034     -1.332111
      8.08218     20.44023     15.01634        -0.158392      0.471631     -4.828900
      7.08198      4.13924      9.91518         6.612446     -1.617631     -0.502319
      9.26570      3.66980     10.61611        -0.063707     -1.145747     -3.169638
      8.54308      3.04418      8.48220         0.014019      0.782346      3.744554
      6.33870      1.45762     16.03921         0.203793     -0.477672     -2.329319
      5.08586      1.20916     14.09440         2.730884      2.796876      1.820029
      7.15374      0.48273     14.16239        -4.688181      2.052646      4.740764
      6.18574      4.94016     11.75164        -5.527940      0.384113      1.510048
      3.89218      5.17649     11.35968         1.221981     -1.996126      5.114228
      4.60866      3.67514     12.94177         0.362286      1.633273     -2.450168
      6.63024      4.41094      5.15531         0.251561     -2.277684      2.462176
      7.08202      2.92327      6.89144        -0.971366      2.010182     -3.199538
      4.85889      3.26689      6.15093         4.012557      0.017142     -3.930893
      0.34191      7.60484      4.67896        -0.822582     -1.826588     -3.423827
      2.21407      7.55407      3.36081        -8.518131     -1.065070      2.207212
      0.30733      6.61435      2.55719         1.044786      0.788103      2.664635
      3.92999      5.27350      9.47804        -6.913532     -0.592667     -2.990876
      2.07327      4.43343      8.54017         2.524449      0.423584      1.360670
      4.12606      4.38919      7.43418        -2.918059      2.462964      4.201329
      5.52022      7.56966      3.56425        -0.665664     -2.842837      1.138490
      3.54139      7.46142      4.76300         7.832890     -2.799543     -0.228977
      5.12130      5.92091      5.18272        -2.424351      2.259417     -2.817325
      1.31476      8.27359     19.87106        -1.495794     -3.947155      5.580145
      2.93352      6.65691     -0.48388        -1.463935      3.693762      0.849634
      0.71498      6.75440      0.23558         0.502994      2.028370     -2.193064
     19.86501      9.71283     18.48875        -0.422835     -0.130554     -2.140278
     20.92171     10.52698     16.54249        -6.453035     -0.983504      2.596721
     18.98860      9.28933     16.43089         1.744828      0.226205      4.260958
      4.62162      7.73027     20.02713        -0.879621     -0.209189     -2.789781
      2.68128      6.62660     18.93401         4.621346      0.059423      4.504649
      4.36733      7.61384     17.71690        -0.027124      1.509681      3.710530
      2.86593     11.63390     15.22241         1.116338     -1.699766      1.881356
      1.47666     11.59098     17.05190         4.338756      1.824059     -5.320239
      3.39380     10.18067     16.97805        -1.000999      2.659338     -3.013922
     17.61378     10.96189     13.10393         2.081918     -1.316343      0.646812
     19.47050      9.63943     12.48965        -5.017026     -0.852962      0.504096
     18.60107      9.56156     14.60815        -3.090408      2.060752     -4.026131
     16.90241     14.53022      9.98427        -0.965532     -1.060522     -2.987063
     18.53741     14.86435      8.32676        -5.996304     -1.493756      0.740698
     16.51820     13.90013      7.74472         1.651867      0.775657      2.060968
      1.19662     12.07681     12.88292        -0.860515     -0.405248     -2.557612
     20.42702     11.22951     12.32805         5.455602      2.325254     -1.551211
      0.73970     11.57096     10.72412         1.556949      2.956783      4.249039
      0.40734     16.12207      7.58462         1.861146     -2.721621      2.057458
     20.11793     15.70491      9.27930         5.945730      0.995048     -3.630806
      0.86831     14.51487      9.23433        -1.876594      1.702397     -1.518492
     17.08684     15.69011      3.06633         1.381646     -1.863976      1.926242
     18.99846     14.41834      3.58779        -2.549847      2.258060     -1.481316
     16.92618     14.07591      4.77848        -0.154775      2.290491     -2.377456
 -----------------------------------------------------------------------------------
    total drift:                               -0.008628     -0.015764      0.012321


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4368.1084076612 eV

  energy  without entropy=    -4368.1244219343  energy(sigma->0) =    -4368.11374575
 
 d Force = 0.3827191E+02[ 0.334E+02, 0.431E+02]  d Energy = 0.3832752E+02-0.556E-01
 d Force =-0.1258272E+03[-0.186E+03,-0.661E+02]  d Ewald  =-0.1257254E+03-0.102E+00


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    5(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.1497549E+02  (-0.1312252E+04)
 number of electron    2497.9999942 magnetization 
 augmentation part      163.0551935 magnetization 

  free energy =  -0.435313291248E+04  energy without entropy=  -0.435311513140E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    5(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3720
 total energy-change (2. order) :-0.6374504E+02  (-0.6978683E+02)
 number of electron    2497.9999946 magnetization 
 augmentation part      163.5653560 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7423
  0.7423

  free energy =  -0.441687795408E+04  energy without entropy=  -0.441687696722E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    5(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3808
 total energy-change (2. order) : 0.4060566E+01  (-0.1709112E+01)
 number of electron    2497.9999946 magnetization 
 augmentation part      162.8131116 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1938
  1.1938  1.1938

  free energy =  -0.441281738844E+04  energy without entropy=  -0.441290452317E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    5(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3696
 total energy-change (2. order) : 0.1308135E+01  (-0.1119124E+01)
 number of electron    2497.9999946 magnetization 
 augmentation part      162.4017056 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0715
  1.6957  0.9379  0.5808

  free energy =  -0.441150925380E+04  energy without entropy=  -0.441140081727E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    5(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3800
 total energy-change (2. order) : 0.1759879E+00  (-0.2937258E+00)
 number of electron    2497.9999947 magnetization 
 augmentation part      162.2850176 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0465
  2.0400  0.7760  0.7760  0.5938

  free energy =  -0.441133326588E+04  energy without entropy=  -0.441140554736E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    5(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) : 0.1124526E+00  (-0.7542381E-01)
 number of electron    2497.9999947 magnetization 
 augmentation part      162.2095955 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0651
  2.1499  0.9166  0.9166  0.8082  0.5341

  free energy =  -0.441122081327E+04  energy without entropy=  -0.441126290711E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    5(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3976
 total energy-change (2. order) :-0.8176032E-02  (-0.3665417E-01)
 number of electron    2497.9999946 magnetization 
 augmentation part      162.2151652 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0169
  2.2923  1.1075  1.1075  0.6289  0.4996  0.4657

  free energy =  -0.441122898930E+04  energy without entropy=  -0.441120611867E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    5(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3808
 total energy-change (2. order) : 0.3698781E-01  (-0.1320918E-01)
 number of electron    2497.9999946 magnetization 
 augmentation part      162.2237146 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0044
  2.3265  1.1535  1.1535  0.8056  0.6397  0.4909  0.4608

  free energy =  -0.441119200150E+04  energy without entropy=  -0.441121980109E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    5(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3432
 total energy-change (2. order) : 0.2378425E-02  (-0.2801533E-02)
 number of electron    2497.9999946 magnetization 
 augmentation part      162.2395897 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0770
  2.4552  1.3929  1.3929  0.9118  0.9118  0.6446  0.4758  0.4306

  free energy =  -0.441118962307E+04  energy without entropy=  -0.441120049488E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    5(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3688
 total energy-change (2. order) : 0.5970526E-03  (-0.1396273E-02)
 number of electron    2497.9999946 magnetization 
 augmentation part      162.2442957 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0752
  2.5044  1.4663  1.4663  0.9080  0.9080  0.9033  0.6088  0.4892  0.4227

  free energy =  -0.441118902602E+04  energy without entropy=  -0.441120174370E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    5(  11)  ---------------------------------------



 eigenvalue-minimisations  :  3640
 total energy-change (2. order) : 0.1927508E-03  (-0.3896622E-03)
 number of electron    2497.9999946 magnetization 
 augmentation part      162.2432105 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0760
  2.5210  1.8050  1.0939  1.0939  1.1150  0.9582  0.6386  0.6386  0.4839  0.4115

  free energy =  -0.441118883327E+04  energy without entropy=  -0.441119674359E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    5(  12)  ---------------------------------------



 eigenvalue-minimisations  :  3624
 total energy-change (2. order) : 0.1499605E-03  (-0.2244910E-03)
 number of electron    2497.9999946 magnetization 
 augmentation part      162.2449381 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0986
  2.5585  2.0533  1.1920  1.1920  1.0477  1.0477  0.7367  0.7367  0.6137  0.4934
  0.4126

  free energy =  -0.441118868331E+04  energy without entropy=  -0.441119949774E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    5(  13)  ---------------------------------------



 eigenvalue-minimisations  :  3712
 total energy-change (2. order) :-0.4635497E-03  (-0.1007820E-03)
 number of electron    2497.9999946 magnetization 
 augmentation part      162.2477196 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1282
  2.6091  2.2037  1.4112  1.4112  1.0206  1.0206  0.8720  0.7377  0.7377  0.6096
  0.4920  0.4124

  free energy =  -0.441118914686E+04  energy without entropy=  -0.441120376226E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    5(  14)  ---------------------------------------



 eigenvalue-minimisations  :  3936
 total energy-change (2. order) :-0.4387637E-03  (-0.3880041E-04)
 number of electron    2497.9999946 magnetization 
 augmentation part      162.2476635 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1908
  2.9450  2.4824  1.5007  1.5007  1.1111  1.1111  0.8830  0.8830  0.8337  0.6630
  0.6630  0.4915  0.4123

  free energy =  -0.441118958562E+04  energy without entropy=  -0.441120729785E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    5(  15)  ---------------------------------------



 eigenvalue-minimisations  :  3920
 total energy-change (2. order) :-0.4700811E-03  (-0.2985565E-04)
 number of electron    2497.9999946 magnetization 
 augmentation part      162.2467531 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2395
  3.5275  2.4632  1.6794  1.6794  1.0696  1.0696  0.9916  0.9916  0.8412  0.8412
  0.6475  0.6475  0.4911  0.4123

  free energy =  -0.441119005570E+04  energy without entropy=  -0.441120922289E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    5(  16)  ---------------------------------------



 eigenvalue-minimisations  :  3832
 total energy-change (2. order) :-0.3464562E-03  (-0.5084984E-04)
 number of electron    2497.9999946 magnetization 
 augmentation part      162.2458423 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2443
  3.9571  2.5329  1.7159  1.7159  1.0671  1.0671  1.0047  1.0047  0.8914  0.8914
  0.4123  0.4911  0.6584  0.6584  0.5961

  free energy =  -0.441119040216E+04  energy without entropy=  -0.441121157575E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    5(  17)  ---------------------------------------



 eigenvalue-minimisations  :  3728
 total energy-change (2. order) :-0.1731853E-03  (-0.2918979E-04)
 number of electron    2497.9999946 magnetization 
 augmentation part      162.2469115 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2421
  4.1499  2.5366  1.8231  1.4285  1.4285  1.0388  1.0388  0.9841  0.7933  0.7933
  0.8319  0.8319  0.4123  0.4911  0.6460  0.6460

  free energy =  -0.441119057534E+04  energy without entropy=  -0.441121351873E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    5(  18)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) :-0.7544432E-04  (-0.6301398E-05)
 number of electron    2497.9999946 magnetization 
 augmentation part      162.2465136 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3829
  5.4670  2.5446  2.4355  1.6356  1.5194  1.0824  1.0824  1.0977  1.0977  0.9132
  0.9132  0.4123  0.4911  0.7653  0.7653  0.6437  0.6437

  free energy =  -0.441119065079E+04  energy without entropy=  -0.441121488946E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    5(  19)  ---------------------------------------



 eigenvalue-minimisations  :  3408
 total energy-change (2. order) :-0.4529351E-04  (-0.5698184E-05)
 number of electron    2497.9999946 magnetization 
 augmentation part      162.2465417 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4156
  6.2543  2.8149  2.4079  1.8284  1.0664  1.0664  1.3136  1.3136  0.9429  0.9429
  0.9847  0.8132  0.8132  0.4123  0.4911  0.7286  0.6433  0.6433

  free energy =  -0.441119069608E+04  energy without entropy=  -0.441121790901E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    5(  20)  ---------------------------------------



 eigenvalue-minimisations  :  3496
 total energy-change (2. order) : 0.2520147E-04  (-0.1607910E-04)
 number of electron    2497.9999946 magnetization 
 augmentation part      162.2466495 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4328
  7.2375  2.9949  2.4152  1.6618  1.6618  1.0708  1.0708  0.9850  0.9850  0.9736
  0.9736  0.8745  0.8745  0.7729  0.6489  0.6489  0.4123  0.4911  0.4703

  free energy =  -0.441119067088E+04  energy without entropy=  -0.441121904268E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    5(  21)  ---------------------------------------



 eigenvalue-minimisations  :  3648
 total energy-change (2. order) : 0.3102995E-04  (-0.5142818E-05)
 number of electron    2497.9999946 magnetization 
 augmentation part      162.2466597 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4974
  8.3667  3.2600  2.5074  1.6963  1.6963  1.1022  1.1022  1.1141  1.1141  0.8347
  0.8347  0.8922  0.8922  0.4123  0.4911  0.7800  0.7800  0.7857  0.6433  0.6433

  free energy =  -0.441119063985E+04  energy without entropy=  -0.441121986840E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    5(  22)  ---------------------------------------



 eigenvalue-minimisations  :  2400
 total energy-change (2. order) : 0.3568089E-04  (-0.7728941E-06)
 number of electron    2497.9999946 magnetization 
 augmentation part      162.2465633 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5899
  9.4922  3.7662  2.4831  2.1139  1.5976  1.5976  1.0656  1.0656  0.9357  0.9357
  1.1166  0.9714  0.9714  0.4123  0.4911  0.8152  0.8152  0.7292  0.7292  0.6415
  0.6415

  free energy =  -0.441119060417E+04  energy without entropy=  -0.441122091519E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    5(  23)  ---------------------------------------



 eigenvalue-minimisations  :  3176
 total energy-change (2. order) :-0.1068201E-04  (-0.4030028E-05)
 number of electron    2497.9999946 magnetization 
 augmentation part      162.2465715 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.6105
 10.3056  4.0829  2.5577  2.1906  1.8411  1.3153  1.3153  1.0730  1.0730  1.0052
  1.0052  0.8652  0.8652  0.4123  0.7978  0.7978  0.7438  0.7438  0.4911  0.6843
  0.6326  0.6326

  free energy =  -0.441119061485E+04  energy without entropy=  -0.441122207518E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    5(  24)  ---------------------------------------



 eigenvalue-minimisations  :  3432
 total energy-change (2. order) :-0.2949324E-04  (-0.8323743E-05)
 number of electron    2497.9999946 magnetization 
 augmentation part      162.2466220 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5770
 10.7264  4.2510  2.5987  2.2129  1.6106  1.6106  1.0824  1.0824  1.0693  1.0693
  1.0380  0.8446  0.8446  0.8446  0.8446  0.4123  0.4911  0.6926  0.6926  0.6424
  0.6098  0.6098  0.3899

  free energy =  -0.441119064434E+04  energy without entropy=  -0.441122229959E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    5(  25)  ---------------------------------------



 eigenvalue-minimisations  :  2272
 total energy-change (2. order) :-0.5712791E-06  (-0.2905112E-06)
 number of electron    2497.9999946 magnetization 
 augmentation part      162.2466220 magnetization 

  free energy =  -0.441119064492E+04  energy without entropy=  -0.441122238233E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.8619       2 -56.1536       3 -55.9011       4 -55.6653       5 -55.6671
       6 -56.1216       7 -58.1157       8 -58.2792       9 -56.1563      10 -55.9455
      11 -56.1281      12 -55.7405      13 -55.6994      14 -56.1230      15 -58.5769
      16 -58.3193      17 -56.4739      18 -55.0017      19 -54.5905      20 -55.4100
      21 -55.5323      22 -55.5710      23 -55.4893      24 -55.6507      25 -55.1669
      26 -54.7124      27 -54.8838      28 -55.0545      29 -60.7309      30 -60.7594
      31 -55.8160      32 -56.0049      33 -55.7045      34 -55.3510      35 -55.5040
      36 -55.9426      37 -58.3464      38 -58.3748      39 -55.8841      40 -55.4691
      41 -56.1569      42 -55.4884      43 -55.5906      44 -55.7490      45 -58.3587
      46 -58.2669      47 -56.4640      48 -55.2010      49 -54.6741      50 -55.3702
      51 -55.9321      52 -55.6989      53 -55.4493      54 -56.0378      55 -55.1435
      56 -54.6181      57 -54.8805      58 -56.3087      59 -61.0052      60 -60.9308
      61 -55.8936      62 -56.1071      63 -55.9786      64 -55.7530      65 -55.7120
      66 -55.9236      67 -57.7026      68 -58.4223      69 -55.8837      70 -55.6874
      71 -55.8684      72 -55.4778      73 -55.3938      74 -55.8169      75 -58.3175
      76 -58.1234      77 -56.1984      78 -54.7927      79 -54.3460      80 -55.2959
      81 -55.4397      82 -55.4195      83 -55.3663      84 -55.5506      85 -55.1517
      86 -54.8305      87 -54.9271      88 -56.3452      89 -60.9193      90 -60.7255
      91 -55.6333      92 -55.8534      93 -55.5041      94 -55.1923      95 -55.1647
      96 -55.6690      97 -58.2040      98 -58.0697      99 -55.7890     100 -55.5597
     101 -55.8148     102 -55.2920     103 -55.2899     104 -55.5790     105 -58.0251
     106 -58.1399     107 -56.1644     108 -54.7542     109 -54.9463     110 -54.9341
     111 -55.7092     112 -55.4229     113 -55.8069     114 -55.9687     115 -55.5215
     116 -54.9400     117 -55.1510     118 -56.5036     119 -61.0891     120 -60.6412
     121 -55.7955     122 -55.8706     123 -55.6723     124 -55.5736     125 -55.5896
     126 -55.9732     127 -58.1773     128 -58.2229     129 -55.9810     130 -55.6818
     131 -55.9136     132 -55.5545     133 -55.5356     134 -55.8290     135 -58.2494
     136 -58.2504     137 -56.2886     138 -55.1361     139 -54.4993     140 -55.3500
     141 -55.6788     142 -55.7585     143 -55.5206     144 -55.4255     145 -55.3817
     146 -55.4899     147 -55.9113     148 -56.0741     149 -61.2441     150 -60.9408
     151 -55.5569     152 -55.6146     153 -55.3995     154 -55.2617     155 -55.2845
     156 -55.6856     157 -57.9965     158 -58.0077     159 -55.6880     160 -55.3645
     161 -55.6832     162 -55.2912     163 -55.3378     164 -55.4590     165 -58.3232
     166 -58.0453     167 -56.2855     168 -55.1192     169 -54.5822     170 -55.4835
     171 -55.8140     172 -55.7487     173 -55.8334     174 -55.5909     175 -54.9478
     176 -54.5730     177 -54.7173     178 -55.9688     179 -60.7413     180 -60.9847
     181 -55.7460     182 -55.7558     183 -55.4612     184 -55.3040     185 -55.1114
     186 -55.8344     187 -57.8432     188 -58.0743     189 -55.8595     190 -55.5254
     191 -55.7125     192 -55.4192     193 -55.3918     194 -55.6931     195 -58.0015
     196 -58.1820     197 -55.9358     198 -54.5676     199 -54.2155     200 -54.9142
     201 -55.4624     202 -55.2178     203 -55.1929     204 -55.1775     205 -54.7929
     206 -54.5671     207 -54.5967     208 -55.9424     209 -60.8777     210 -60.5415
     211 -55.7356     212 -55.9921     213 -55.5566     214 -55.4827     215 -55.4024
     216 -55.9078     217 -58.1539     218 -58.2807     219 -55.9334     220 -55.5933
     221 -55.8195     222 -55.4681     223 -55.4017     224 -55.7179     225 -58.0749
     226 -58.2811     227 -56.0919     228 -54.7862     229 -54.5698     230 -54.9848
     231 -55.5287     232 -55.5409     233 -55.8112     234 -55.4165     235 -55.0201
     236 -54.5989     237 -54.9087     238 -56.1887     239 -60.8786     240 -60.6704
     241 -55.7720     242 -55.7808     243 -55.6533     244 -55.4703     245 -55.4850
     246 -55.8130     247 -58.2015     248 -57.9764     249 -56.0408     250 -55.7672
     251 -56.0806     252 -55.6038     253 -55.6567     254 -55.8752     255 -58.3680
     256 -58.0462     257 -56.4185     258 -55.6445     259 -55.2554     260 -55.5318
     261 -55.5000     262 -56.1000     263 -55.6579     264 -55.8147     265 -55.4782
     266 -54.9096     267 -56.6101     268 -56.4653     269 -60.8472     270 -60.7667
     271 -55.8063     272 -55.8212     273 -55.5355     274 -55.6250     275 -55.5323
     276 -55.8543     277 -58.2694     278 -58.0447     279 -55.5134     280 -55.6250
     281 -56.0142     282 -55.1944     283 -55.1098     284 -55.5001     285 -58.4224
     286 -57.8875     287 -56.2660     288 -55.2171     289 -54.4163     290 -55.7242
     291 -55.5398     292 -55.7313     293 -55.3343     294 -55.7098     295 -54.9116
     296 -54.3251     297 -54.5727     298 -56.0724     299 -60.8369     300 -60.8581
     301 -55.6767     302 -55.8797     303 -55.6192     304 -55.3917     305 -55.4018
     306 -55.8330     307 -58.1215     308 -58.3524     309 -55.8525     310 -55.5165
     311 -55.7309     312 -55.4512     313 -55.4491     314 -55.7119     315 -58.0880
     316 -57.9795     317 -55.9378     318 -54.7206     319 -54.3358     320 -54.8938
     321 -55.2871     322 -55.2375     323 -55.1522     324 -55.2923     325 -54.7840
     326 -54.9185     327 -54.8724     328 -56.1567     329 -60.6263     330 -60.3953
     331 -55.4500     332 -55.3900     333 -55.1041     334 -55.0418     335 -55.0004
     336 -55.3492     337 -57.9633     338 -57.9750     339 -55.2201     340 -54.8980
     341 -55.0923     342 -54.8698     343 -54.9334     344 -54.9937     345 -57.9226
     346 -57.5325     347 -55.7907     348 -54.5029     349 -54.1613     350 -54.9392
     351 -55.3507     352 -55.1182     353 -55.1790     354 -55.3235     355 -54.8518
     356 -54.1548     357 -54.5929     358 -55.9102     359 -60.4819     360 -60.5294
     361 -38.8906     362 -38.7595     363 -38.6810     364 -38.9155     365 -38.6567
     366 -38.6933     367 -38.6367     368 -38.4035     369 -38.4817     370 -38.4166
     371 -38.6093     372 -38.1000     373 -38.8335     374 -38.7256     375 -38.4698
     376 -38.8853     377 -38.4544     378 -38.5868     379 -38.7208     380 -38.3289
     381 -38.6533     382 -38.3537     383 -38.5892     384 -38.1665     385 -38.9682
     386 -38.7256     387 -38.6189     388 -38.5987     389 -38.4340     390 -38.5029
     391 -38.7419     392 -37.8945     393 -38.4062     394 -38.5475     395 -38.6214
     396 -38.4112     397 -38.4931     398 -38.2954     399 -38.1541     400 -38.5948
     401 -38.1130     402 -38.5303     403 -38.8063     404 -38.0236     405 -38.1628
     406 -38.5312     407 -38.2945     408 -38.1368     409 -38.5752     410 -38.6370
     411 -38.5801     412 -38.5941     413 -38.5560     414 -38.5496     415 -39.3779
     416 -38.5880     417 -38.3410     418 -38.5236     419 -38.9990     420 -38.8183
     421 -38.3295     422 -38.2082     423 -38.1655     424 -38.4864     425 -38.2210
     426 -38.7809     427 -38.5254     428 -38.1061     429 -38.6786     430 -38.2513
     431 -38.4490     432 -37.9137     433 -38.1002     434 -38.3298     435 -38.3832
     436 -38.3756     437 -38.3931     438 -38.5852     439 -38.7415     440 -37.9707
     441 -38.0830     442 -38.2834     443 -37.9928     444 -37.7762     445 -38.2931
     446 -38.5211     447 -38.2573     448 -38.3011     449 -38.2810     450 -38.3619
     451 -38.6295     452 -37.7879     453 -38.0190     454 -38.1875     455 -38.1499
     456 -37.8475     457 -38.7532     458 -38.4484     459 -38.4579     460 -38.8481
     461 -38.6574     462 -38.7625     463 -41.6857     464 -38.8941     465 -38.5335
     466 -38.5116     467 -38.6377     468 -39.1466     469 -38.7664     470 -38.7439
     471 -38.3835     472 -38.7438     473 -38.1306     474 -38.3189     475 -38.8154
     476 -38.2639     477 -38.9897     478 -38.2139     479 -38.3929     480 -37.7759
     481 -38.6103     482 -38.4617     483 -38.3564     484 -38.5038     485 -38.3726
     486 -38.4870     487 -38.5850     488 -38.0933     489 -37.9610     490 -38.1893
     491 -38.3265     492 -38.2433     493 -38.3593     494 -38.0237     495 -37.9230
     496 -38.1909     497 -37.7477     498 -38.0181     499 -38.1899     500 -37.6262
     501 -38.1282     502 -38.0453     503 -38.1161     504 -37.6659     505 -38.1934
     506 -39.8170     507 -70.8947     508 -71.1782     509 -70.9670     510 -71.2624
     511 -71.2734     512 -70.7039     513 -70.9994     514 -70.8667     515 -70.7884
     516 -70.9143     517 -70.5696     518 -70.6130     519 -70.8258     520 -70.7240
     521 -71.1498     522 -70.6681     523 -70.9495     524 -71.0681     525 -70.8073
     526 -71.1270     527 -70.9719     528 -70.6557     529 -70.4833     530 -70.1497
     531 -77.0716     532 -76.9234     533 -77.0528     534 -77.5247     535 -77.1901
     536 -77.5587     537 -76.5580     538 -77.4271     539 -77.5180     540 -76.7891
     541 -76.9707     542 -77.2620     543 -76.3377     544 -77.2835     545 -76.7506
     546 -77.1075     547 -77.2760     548 -77.4171     549 -77.5241     550 -77.3916
     551 -77.0978     552 -77.0579     553 -77.1235     554 -77.9638     555 -77.1191
     556 -76.9083     557 -77.3056     558 -77.1359     559 -76.9774     560 -77.0876
     561 -77.4107     562 -77.2607     563 -76.3660     564 -77.1243     565 -77.3342
     566 -77.6826     567 -76.8806     568 -76.9218     569 -76.5543     570 -78.1079
     571 -77.1507     572 -77.1878     573 -77.0998     574 -77.2365     575 -77.0542
     576 -76.6080     577 -76.5397     578 -77.5921     579 -83.5553     580 -81.9304
     581 -83.2765     582 -83.0306     583 -82.3817     584 -82.2952     585 -82.5560
     586 -82.5832     587 -83.1066     588 -83.2657     589 -83.7948     590 -81.4661
     591 -83.4729     592 -82.1800     593 -82.7632     594 -82.9417     595 -81.9159
     596 -84.6406     597 -82.4381     598 -82.4384     599 -82.9033     600 -82.8335
     601 -83.3006     602 -82.2567     603 -83.3737     604 -82.3729     605 -83.5137
     606 -82.4901     607 -82.7718     608 -85.7909     609 -82.9296     610 -82.7954
     611 -83.1662     612 -83.0456     613 -82.6774     614 -81.9071     615 -82.1766
     616 -83.2585     617 -82.6110     618 -84.5339     619 -81.7354     620 -83.4912
     621 -82.3217     622 -82.9384     623 -83.2959     624 -83.3716     625 -83.0717
     626 -82.6799     627 -81.8871     628 -82.6196     629 -84.1781     630 -83.1536
     631 -84.1011     632 -83.5692     633 -82.5922     634 -82.6768     635 -83.3900
     636 -82.9659     637 -81.3976     638 -83.9944     639 -81.8890     640 -82.7769
     641 -82.4860     642 -82.2753     643 -83.9770     644 -82.7457     645 -82.1497
     646 -82.6413     647 -82.7711     648 -82.8170     649 -81.9487     650 -82.0487
 
 
 
 E-fermi :  -0.3986     XC(G=0):  -6.3201     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -33.6637      2.00000
      2     -32.2083      2.00000
      3     -31.7961      2.00000
      4     -31.2266      2.00000
      5     -30.7782      2.00000
      6     -30.5103      2.00000
      7     -30.4426      2.00000
      8     -30.0087      2.00000
      9     -29.8843      2.00000
     10     -29.7962      2.00000
     11     -29.7526      2.00000
     12     -29.6769      2.00000
     13     -29.6169      2.00000
     14     -29.2686      2.00000
     15     -29.1967      2.00000
     16     -29.0862      2.00000
     17     -29.0012      2.00000
     18     -28.8718      2.00000
     19     -28.8551      2.00000
     20     -28.8341      2.00000
     21     -28.6948      2.00000
     22     -28.6438      2.00000
     23     -28.5578      2.00000
     24     -28.5552      2.00000
     25     -28.3717      2.00000
     26     -28.2239      2.00000
     27     -28.1704      2.00000
     28     -28.0622      2.00000
     29     -28.0194      2.00000
     30     -27.8409      2.00000
     31     -27.7904      2.00000
     32     -27.7594      2.00000
     33     -27.7387      2.00000
     34     -27.6480      2.00000
     35     -27.4969      2.00000
     36     -27.4859      2.00000
     37     -27.4306      2.00000
     38     -27.3997      2.00000
     39     -27.2239      2.00000
     40     -27.1620      2.00000
     41     -27.0879      2.00000
     42     -26.9656      2.00000
     43     -26.9390      2.00000
     44     -26.9295      2.00000
     45     -26.8798      2.00000
     46     -26.8233      2.00000
     47     -26.8120      2.00000
     48     -26.7018      2.00000
     49     -26.6974      2.00000
     50     -26.6903      2.00000
     51     -26.6781      2.00000
     52     -26.6647      2.00000
     53     -26.6101      2.00000
     54     -26.5102      2.00000
     55     -26.4703      2.00000
     56     -26.4604      2.00000
     57     -26.4453      2.00000
     58     -26.4076      2.00000
     59     -26.3071      2.00000
     60     -26.2756      2.00000
     61     -26.2651      2.00000
     62     -26.2307      2.00000
     63     -26.2026      2.00000
     64     -26.1969      2.00000
     65     -26.1916      2.00000
     66     -26.1208      2.00000
     67     -26.0746      2.00000
     68     -25.9691      2.00000
     69     -25.8512      2.00000
     70     -25.7991      2.00000
     71     -25.5156      2.00000
     72     -25.3979      2.00000
     73     -25.3688      2.00000
     74     -25.3195      2.00000
     75     -25.0976      2.00000
     76     -24.1915      2.00000
     77     -24.0123      2.00000
     78     -23.8662      2.00000
     79     -23.8477      2.00000
     80     -23.8457      2.00000
     81     -23.8234      2.00000
     82     -23.6888      2.00000
     83     -23.6755      2.00000
     84     -23.6503      2.00000
     85     -23.6168      2.00000
     86     -23.6027      2.00000
     87     -23.5980      2.00000
     88     -23.5911      2.00000
     89     -23.5136      2.00000
     90     -23.5128      2.00000
     91     -23.4730      2.00000
     92     -23.4695      2.00000
     93     -23.3944      2.00000
     94     -23.3940      2.00000
     95     -23.3667      2.00000
     96     -23.3574      2.00000
     97     -23.3347      2.00000
     98     -23.3301      2.00000
     99     -23.3156      2.00000
    100     -23.3129      2.00000
    101     -23.2733      2.00000
    102     -23.2718      2.00000
    103     -23.2550      2.00000
    104     -23.2524      2.00000
    105     -23.2452      2.00000
    106     -23.1638      2.00000
    107     -23.1293      2.00000
    108     -23.0859      2.00000
    109     -23.0119      2.00000
    110     -23.0072      2.00000
    111     -23.0055      2.00000
    112     -22.7119      2.00000
    113     -22.4679      2.00000
    114     -22.3903      2.00000
    115     -22.2593      2.00000
    116     -22.2536      2.00000
    117     -22.2399      2.00000
    118     -22.1738      2.00000
    119     -21.9245      2.00000
    120     -21.8709      2.00000
    121     -19.9156      2.00000
    122     -19.8720      2.00000
    123     -19.8559      2.00000
    124     -19.7088      2.00000
    125     -19.4146      2.00000
    126     -19.3844      2.00000
    127     -19.3419      2.00000
    128     -19.3142      2.00000
    129     -19.2932      2.00000
    130     -19.2814      2.00000
    131     -19.2216      2.00000
    132     -19.2015      2.00000
    133     -19.0261      2.00000
    134     -19.0067      2.00000
    135     -18.9926      2.00000
    136     -18.9865      2.00000
    137     -18.9793      2.00000
    138     -18.9572      2.00000
    139     -18.9440      2.00000
    140     -18.7652      2.00000
    141     -18.7334      2.00000
    142     -18.7103      2.00000
    143     -18.6243      2.00000
    144     -18.6185      2.00000
    145     -18.5472      2.00000
    146     -18.4340      2.00000
    147     -18.3619      2.00000
    148     -18.3030      2.00000
    149     -18.2706      2.00000
    150     -18.1856      2.00000
    151     -18.1679      2.00000
    152     -18.1657      2.00000
    153     -18.1556      2.00000
    154     -18.1174      2.00000
    155     -18.1127      2.00000
    156     -18.0461      2.00000
    157     -18.0333      2.00000
    158     -18.0054      2.00000
    159     -17.9983      2.00000
    160     -17.9722      2.00000
    161     -17.9360      2.00000
    162     -17.9112      2.00000
    163     -17.8553      2.00000
    164     -17.8374      2.00000
    165     -17.8085      2.00000
    166     -17.7747      2.00000
    167     -17.7375      2.00000
    168     -17.7188      2.00000
    169     -17.6635      2.00000
    170     -17.6535      2.00000
    171     -17.6217      2.00000
    172     -17.5995      2.00000
    173     -17.5843      2.00000
    174     -17.5386      2.00000
    175     -17.5324      2.00000
    176     -17.5112      2.00000
    177     -17.4849      2.00000
    178     -17.4647      2.00000
    179     -17.4395      2.00000
    180     -17.4088      2.00000
    181     -17.3856      2.00000
    182     -17.3631      2.00000
    183     -17.3030      2.00000
    184     -17.2873      2.00000
    185     -17.2695      2.00000
    186     -17.2404      2.00000
    187     -17.2021      2.00000
    188     -17.1610      2.00000
    189     -17.0823      2.00000
    190     -17.0304      2.00000
    191     -16.9943      2.00000
    192     -16.8462      2.00000
    193     -16.5618      2.00000
    194     -16.4942      2.00000
    195     -16.4036      2.00000
    196     -16.3425      2.00000
    197     -16.3358      2.00000
    198     -16.2645      2.00000
    199     -16.2294      2.00000
    200     -16.2091      2.00000
    201     -16.1997      2.00000
    202     -16.1415      2.00000
    203     -16.1222      2.00000
    204     -16.1142      2.00000
    205     -16.0932      2.00000
    206     -16.0294      2.00000
    207     -16.0228      2.00000
    208     -16.0083      2.00000
    209     -15.9694      2.00000
    210     -15.9424      2.00000
    211     -15.9147      2.00000
    212     -15.9048      2.00000
    213     -15.8682      2.00000
    214     -15.8585      2.00000
    215     -15.8465      2.00000
    216     -15.8110      2.00000
    217     -15.7966      2.00000
    218     -15.7501      2.00000
    219     -15.7308      2.00000
    220     -15.6873      2.00000
    221     -15.6593      2.00000
    222     -15.6588      2.00000
    223     -15.6370      2.00000
    224     -15.6279      2.00000
    225     -15.6120      2.00000
    226     -15.5776      2.00000
    227     -15.5681      2.00000
    228     -15.5463      2.00000
    229     -15.5322      2.00000
    230     -15.5007      2.00000
    231     -15.4802      2.00000
    232     -15.4498      2.00000
    233     -15.4295      2.00000
    234     -15.4229      2.00000
    235     -15.4027      2.00000
    236     -15.3572      2.00000
    237     -15.3476      2.00000
    238     -15.3277      2.00000
    239     -15.3209      2.00000
    240     -15.3041      2.00000
    241     -15.2841      2.00000
    242     -15.2763      2.00000
    243     -15.2600      2.00000
    244     -15.2555      2.00000
    245     -15.2369      2.00000
    246     -15.2217      2.00000
    247     -15.2100      2.00000
    248     -15.1636      2.00000
    249     -15.1270      2.00000
    250     -15.1229      2.00000
    251     -15.0852      2.00000
    252     -15.0469      2.00000
    253     -15.0393      2.00000
    254     -15.0245      2.00000
    255     -15.0184      2.00000
    256     -15.0127      2.00000
    257     -15.0058      2.00000
    258     -14.9775      2.00000
    259     -14.9680      2.00000
    260     -14.9500      2.00000
    261     -14.9338      2.00000
    262     -14.8645      2.00000
    263     -14.8451      2.00000
    264     -14.8233      2.00000
    265     -14.8064      2.00000
    266     -14.7530      2.00000
    267     -14.7436      2.00000
    268     -14.6988      2.00000
    269     -14.6848      2.00000
    270     -14.6648      2.00000
    271     -14.6405      2.00000
    272     -14.6166      2.00000
    273     -14.5495      2.00000
    274     -14.5302      2.00000
    275     -14.4911      2.00000
    276     -14.4654      2.00000
    277     -14.4535      2.00000
    278     -14.4326      2.00000
    279     -14.3797      2.00000
    280     -14.3332      2.00000
    281     -14.3297      2.00000
    282     -14.2846      2.00000
    283     -14.2479      2.00000
    284     -14.2200      2.00000
    285     -14.1926      2.00000
    286     -14.1536      2.00000
    287     -14.1342      2.00000
    288     -14.0796      2.00000
    289     -14.0508      2.00000
    290     -13.9786      2.00000
    291     -13.9539      2.00000
    292     -13.9371      2.00000
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   1422       4.4209     -0.00000
   1423       4.4317     -0.00000
   1424       4.4438     -0.00000
   1425       4.4713     -0.00000
   1426       4.4737     -0.00000
   1427       4.4819     -0.00000
   1428       4.4879     -0.00000
   1429       4.5041     -0.00000
   1430       4.5205     -0.00000
   1431       4.5257     -0.00000
   1432       4.5320     -0.00000
   1433       4.5456     -0.00000
   1434       4.5666     -0.00000
   1435       4.5813     -0.00000
   1436       4.5917     -0.00000
   1437       4.5941     -0.00000
   1438       4.6008     -0.00000
   1439       4.6268     -0.00000
   1440       4.6296     -0.00000
   1441       4.6374     -0.00000
   1442       4.6490     -0.00000
   1443       4.6527     -0.00000
   1444       4.6662     -0.00000
   1445       4.6789     -0.00000
   1446       4.6904     -0.00000
   1447       4.7003     -0.00000
   1448       4.7181     -0.00000
   1449       4.7270     -0.00000
   1450       4.7417     -0.00000
   1451       4.7495     -0.00000
   1452       4.7582     -0.00000
   1453       4.7656     -0.00000
   1454       4.7754     -0.00000
   1455       4.7868     -0.00000
   1456       4.7943     -0.00000
   1457       4.8320     -0.00000
   1458       4.8453     -0.00000
   1459       4.8510     -0.00000
   1460       4.8690     -0.00000
   1461       4.8922     -0.00000
   1462       4.9029     -0.00000
   1463       4.9214     -0.00000
   1464       4.9315      0.00000
   1465       4.9468      0.00000
   1466       4.9638      0.00000
   1467       4.9700      0.00000
   1468       4.9774      0.00000
   1469       4.9811      0.00000
   1470       4.9904      0.00000
   1471       4.9965      0.00000
   1472       5.0198      0.00000
   1473       5.0312      0.00000
   1474       5.0564      0.00000
   1475       5.0614      0.00000
   1476       5.0690      0.00000
   1477       5.0818      0.00000
   1478       5.0878      0.00000
   1479       5.0971      0.00000
   1480       5.1039      0.00000
   1481       5.1204      0.00000
   1482       5.1306      0.00000
   1483       5.1458      0.00000
   1484       5.1597      0.00000
   1485       5.1647      0.00000
   1486       5.1832      0.00000
   1487       5.1993      0.00000
   1488       5.2112      0.00000
   1489       5.2161      0.00000
   1490       5.2280      0.00000
   1491       5.2334      0.00000
   1492       5.2389      0.00000
   1493       5.2579      0.00000
   1494       5.2732      0.00000
   1495       5.2817      0.00000
   1496       5.2966      0.00000
   1497       5.3078      0.00000
   1498       5.3249      0.00000
   1499       5.3319      0.00000
   1500       5.3394      0.00000
   1501       5.3599      0.00000
   1502       5.3637      0.00000
   1503       5.3800      0.00000
   1504       5.3924      0.00000
   1505       5.3964      0.00000
   1506       5.4117      0.00000
   1507       5.4219      0.00000
   1508       5.4331      0.00000
   1509       5.4464      0.00000
   1510       5.4704      0.00000
   1511       5.4803      0.00000
   1512       5.4898      0.00000
   1513       5.4942      0.00000
   1514       5.5040      0.00000
   1515       5.5119      0.00000
   1516       5.5321      0.00000
   1517       5.5417      0.00000
   1518       5.5534      0.00000
   1519       5.5711      0.00000
   1520       5.5790      0.00000
   1521       5.5876      0.00000
   1522       5.5938      0.00000
   1523       5.6055      0.00000
   1524       5.6211      0.00000
   1525       5.6343      0.00000
   1526       5.6467      0.00000
   1527       5.6513      0.00000
   1528       5.6634      0.00000
   1529       5.6850      0.00000
   1530       5.6892      0.00000
   1531       5.7060      0.00000
   1532       5.7135      0.00000
   1533       5.7222      0.00000
   1534       5.7254      0.00000
   1535       5.7415      0.00000
   1536       5.7492      0.00000
   1537       5.7525      0.00000
   1538       5.7674      0.00000
   1539       5.7774      0.00000
   1540       5.7901      0.00000
   1541       5.8059      0.00000
   1542       5.8101      0.00000
   1543       5.8203      0.00000
   1544       5.8227      0.00000
   1545       5.8349      0.00000
   1546       5.8489      0.00000
   1547       5.8535      0.00000
   1548       5.8670      0.00000
   1549       5.8782      0.00000
   1550       5.8815      0.00000
   1551       5.8860      0.00000
   1552       5.8965      0.00000
   1553       5.9070      0.00000
   1554       5.9191      0.00000
   1555       5.9286      0.00000
   1556       5.9433      0.00000
   1557       5.9481      0.00000
   1558       5.9591      0.00000
   1559       5.9659      0.00000
   1560       5.9720      0.00000
   1561       5.9874      0.00000
   1562       5.9935      0.00000
   1563       5.9961      0.00000
   1564       6.0071      0.00000
   1565       6.0138      0.00000
   1566       6.0291      0.00000
   1567       6.0308      0.00000
   1568       6.0399      0.00000
   1569       6.0572      0.00000
   1570       6.0696      0.00000
   1571       6.0876      0.00000
   1572       6.0967      0.00000
   1573       6.1029      0.00000
   1574       6.1130      0.00000
   1575       6.1222      0.00000
   1576       6.1388      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.070  13.388  -0.001   0.001  -0.000   0.001  -0.003   0.001
 13.388  17.799  -0.001   0.001  -0.000   0.002  -0.004   0.002
 -0.001  -0.001  -4.226   0.001  -0.001   8.273  -0.001   0.001
  0.001   0.001   0.001  -4.225   0.001  -0.001   8.270  -0.001
 -0.000  -0.000  -0.001   0.001  -4.221   0.001  -0.001   8.266
  0.001   0.002   8.273  -0.001   0.001 -18.322   0.001  -0.001
 -0.003  -0.004  -0.001   8.270  -0.001   0.001 -18.316   0.001
  0.001   0.002   0.001  -0.001   8.266  -0.001   0.001 -18.316
 total augmentation occupancy for first ion, spin component:           1
  7.455  -3.239   0.149   0.080  -0.026   0.018   0.015  -0.005
 -3.239   1.488  -0.088  -0.060   0.012  -0.008  -0.009   0.003
  0.149  -0.088   1.669  -0.042   0.016   0.154  -0.005   0.003
  0.080  -0.060  -0.042   1.723  -0.090  -0.005   0.155  -0.014
 -0.026   0.012   0.016  -0.090   1.201   0.003  -0.014   0.073
  0.018  -0.008   0.154  -0.005   0.003   0.016  -0.001   0.000
  0.015  -0.009  -0.005   0.155  -0.014  -0.001   0.015  -0.002
 -0.005   0.003   0.003  -0.014   0.073   0.000  -0.002   0.005


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -61504.49839124452.53160 50707.99716-13427.30752  4433.78802 34987.08174
  Hartree -7045.21436152603.89642 88517.48796-13646.67028  2512.99782 29596.03666
  E(xc)  -10730.25364-10611.24448-10643.00293     1.79798     7.42613    25.81438
  Local   35267.56379************************ 27040.06352 -6961.32904-64076.34843
  n-local -5840.84735 -5898.04286 -5977.62698    11.78755    16.34464   -38.06552
  augment  1487.95020  1539.09026  1477.85222     5.60738    14.15087    -4.66914
  Kinetic 45741.65166 43240.03949 43795.54102   -24.38840   -73.69468  -561.25827
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      284.2106355   -404.4559939     10.6766020    -39.1097659    -50.3162436    -71.4085822
  in kB       47.3943984    -67.4462744      1.7804088     -6.5218665     -8.3906364    -11.9079527
  external PRESSURE =      -6.0904891 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.349E+03 -.121E+03 0.238E+03   0.350E+03 0.122E+03 -.238E+03   0.196E+00 0.307E+00 0.124E+01   -.702E-03 0.901E-04 -.373E-04
   -.313E+03 -.132E+03 0.376E+02   0.315E+03 0.132E+03 -.378E+02   0.282E+00 -.504E+00 -.860E+00   -.561E-03 -.194E-05 0.139E-03
   -.261E+03 -.138E+03 -.329E+01   0.262E+03 0.139E+03 0.548E+01   0.302E+00 -.178E+01 -.167E+01   -.485E-03 0.612E-04 0.109E-03
   -.311E+03 -.106E+03 0.353E+03   0.311E+03 0.105E+03 -.354E+03   0.105E-02 -.100E+01 0.255E+01   -.796E-03 0.608E-04 -.133E-03
   -.263E+03 -.165E+03 0.321E+03   0.263E+03 0.167E+03 -.321E+03   0.716E-01 -.330E+00 0.703E+00   -.578E-03 0.165E-03 -.540E-04
   -.225E+03 -.130E+03 0.177E+03   0.225E+03 0.130E+03 -.177E+03   0.280E+00 -.212E+00 0.146E+00   -.391E-03 -.110E-03 -.587E-04
   -.382E+03 -.147E+03 0.142E+03   0.383E+03 0.153E+03 -.139E+03   -.194E-03 -.346E+01 0.470E+00   -.815E-03 -.178E-03 0.219E-03
   -.302E+03 -.930E+02 -.177E+00   0.305E+03 0.964E+02 -.516E+01   -.678E+00 -.292E+01 0.149E+01   -.566E-03 -.265E-03 0.120E-03
   -.165E+03 -.368E+01 0.210E+03   0.166E+03 0.387E+01 -.210E+03   -.162E+00 0.350E+00 0.491E+00   -.244E-03 -.640E-04 -.325E-04
   -.151E+03 0.902E+02 0.804E+02   0.151E+03 -.916E+02 -.792E+02   0.372E+00 0.181E+01 -.647E+00   -.365E-03 -.178E-03 0.272E-03
   -.175E+03 0.133E+03 0.147E+03   0.176E+03 -.133E+03 -.148E+03   0.127E+01 0.915E+00 -.128E+00   -.145E-03 -.171E-03 0.101E-03
   -.171E+03 0.105E+02 0.345E+03   0.171E+03 -.118E+02 -.347E+03   -.175E+00 -.824E-01 0.811E+00   -.240E-03 -.102E-03 -.194E-03
   -.177E+03 -.235E+02 0.374E+03   0.177E+03 0.252E+02 -.375E+03   -.263E+00 0.549E-01 0.293E+01   -.347E-03 -.176E-04 -.482E-04
   -.205E+03 0.644E+02 0.318E+03   0.205E+03 -.652E+02 -.319E+03   -.400E+00 0.238E+00 0.104E+01   -.272E-03 -.230E-03 -.151E-03
   -.190E+03 0.150E+03 0.278E+03   0.189E+03 -.159E+03 -.277E+03   0.705E+00 0.430E+01 0.104E+01   -.372E-03 0.799E-04 0.299E-03
   -.227E+03 0.150E+03 0.898E+02   0.230E+03 -.152E+03 -.951E+02   0.251E+00 0.284E+01 0.313E+01   0.264E-03 0.439E-04 0.302E-03
   -.202E+03 0.137E+03 0.373E+02   0.204E+03 -.133E+03 -.327E+02   0.201E+00 -.407E+01 -.385E+01   0.860E-04 0.187E-03 0.404E-03
   -.125E+03 0.240E+03 -.178E+03   0.126E+03 -.242E+03 0.178E+03   0.107E+01 0.731E+00 -.314E+01   0.110E-03 -.160E-03 0.323E-03
   -.104E+03 0.169E+03 -.210E+03   0.105E+03 -.169E+03 0.214E+03   0.452E+00 0.125E+01 -.380E+01   -.340E-04 -.236E-03 0.213E-03
   -.197E+03 0.154E+03 0.177E+03   0.199E+03 -.154E+03 -.179E+03   -.655E+00 -.150E+01 0.268E+01   -.209E-03 0.186E-04 0.107E-03
   -.149E+03 0.123E+03 -.124E+02   0.149E+03 -.125E+03 0.147E+02   0.804E+00 0.982E+00 -.903E+00   -.102E-03 0.137E-03 -.101E-03
   -.111E+03 0.626E+02 -.158E+03   0.112E+03 -.636E+02 0.158E+03   0.627E+00 0.320E+00 -.158E+01   -.357E-04 -.722E-04 0.213E-03
   -.116E+03 -.366E+02 -.246E+03   0.116E+03 0.379E+02 0.246E+03   -.221E+00 -.695E+00 0.158E+01   0.355E-05 0.193E-04 0.722E-04
   -.659E+02 -.886E+02 -.321E+03   0.673E+02 0.915E+02 0.320E+03   -.976E+00 -.238E+01 0.987E+00   0.108E-03 -.448E-04 -.266E-03
   -.359E+02 -.151E+03 -.410E+03   0.358E+02 0.152E+03 0.411E+03   0.200E+00 -.985E+00 -.210E+01   0.195E-03 -.111E-03 -.381E-03
   -.181E+03 -.172E+03 -.230E+03   0.183E+03 0.172E+03 0.226E+03   -.146E+01 -.174E+01 0.404E+01   -.113E-03 0.559E-04 -.112E-03
   -.137E+03 -.319E+03 -.254E+03   0.137E+03 0.320E+03 0.254E+03   0.832E-01 -.917E+00 0.828E+00   0.679E-04 0.406E-04 -.879E-04
   -.699E+02 -.267E+03 -.355E+03   0.701E+02 0.268E+03 0.355E+03   -.414E+00 -.105E+01 0.377E+00   0.260E-03 0.183E-04 -.226E-03
   -.517E+02 0.717E+01 -.310E+03   0.568E+02 0.189E+01 0.306E+03   -.537E+01 -.868E+01 0.435E+01   -.976E-05 0.502E-04 -.509E-03
   -.186E+03 0.952E+02 0.125E+02   0.187E+03 -.108E+03 -.577E+01   0.197E+01 0.951E+01 -.463E+01   -.929E-03 0.611E-03 -.712E-04
   -.151E+03 -.541E+02 -.587E+02   0.151E+03 0.545E+02 0.602E+02   0.442E-01 0.204E+00 -.112E+01   0.401E-04 -.279E-03 0.239E-03
   -.981E+02 -.153E+03 0.917E+02   0.973E+02 0.154E+03 -.915E+02   -.145E+00 -.794E+00 0.330E+00   0.113E-03 -.862E-04 0.161E-03
   -.137E+03 -.139E+03 0.140E+03   0.137E+03 0.140E+03 -.141E+03   -.198E+00 -.222E+01 0.398E+00   0.213E-03 -.561E-04 0.174E-03
   -.294E+03 0.631E+01 -.141E+03   0.293E+03 -.819E+01 0.142E+03   0.101E+01 0.111E+01 -.385E+01   0.232E-03 -.399E-03 0.215E-03
   -.295E+03 -.734E+02 -.181E+03   0.295E+03 0.743E+02 0.183E+03   0.264E+00 0.555E-01 -.858E+00   0.388E-03 -.419E-04 0.217E-03
   -.216E+03 -.521E+02 -.350E+02   0.216E+03 0.520E+02 0.355E+02   0.164E+00 -.259E+00 -.340E+00   0.286E-03 -.186E-03 0.155E-03
   -.662E+02 -.103E+03 -.442E+01   0.673E+02 0.115E+03 0.239E+01   -.228E+00 -.372E+01 -.180E+01   -.177E-03 -.443E-03 0.253E-03
   -.204E+01 -.143E+03 0.783E+02   -.775E+00 0.144E+03 -.707E+02   0.818E+00 -.222E+01 -.289E+01   0.216E-04 -.213E-03 0.171E-03
   -.178E+03 0.583E+02 -.513E+02   0.178E+03 -.581E+02 0.518E+02   0.218E-01 0.140E+00 -.547E+00   0.260E-03 -.196E-03 0.181E-03
   -.674E+02 0.825E+02 0.147E+03   0.671E+02 -.833E+02 -.149E+03   -.878E+00 0.240E+01 0.197E+01   0.211E-04 -.221E-03 -.581E-04
   0.199E+02 0.852E+02 0.813E+02   -.221E+02 -.858E+02 -.803E+02   -.158E+00 0.166E+01 0.463E-01   -.271E-03 -.321E-03 0.284E-03
   -.203E+03 0.877E+02 -.245E+03   0.203E+03 -.894E+02 0.246E+03   0.193E+00 0.554E+00 -.885E+00   0.331E-03 -.225E-03 0.485E-03
   -.153E+03 0.390E+02 -.314E+03   0.153E+03 -.380E+02 0.315E+03   0.372E+00 0.136E+01 -.205E+01   0.281E-03 0.130E-03 0.664E-03
   -.415E+02 0.720E+02 -.181E+03   0.410E+02 -.737E+02 0.181E+03   -.161E+00 0.104E+00 -.171E+01   0.406E-04 -.105E-03 0.542E-03
   0.294E+01 0.138E+03 -.934E+02   -.325E+01 -.147E+03 0.886E+02   0.340E+00 0.390E+01 -.157E+00   0.163E-03 -.113E-04 0.187E-03
   0.842E+02 0.810E+02 0.139E+03   -.870E+02 -.840E+02 -.138E+03   0.106E+01 0.345E+01 -.719E+00   -.212E-03 0.340E-03 -.213E-04
   0.103E+03 0.895E+02 0.106E+03   -.103E+03 -.850E+02 -.108E+03   -.166E+01 -.520E+01 0.222E+01   -.730E-04 0.223E-03 -.140E-05
   0.386E+02 0.178E+03 0.296E+03   -.392E+02 -.180E+03 -.298E+03   -.127E+01 0.351E+00 0.336E+01   -.197E-03 0.452E-05 0.136E-03
   -.136E+02 0.176E+03 0.244E+03   0.153E+02 -.175E+03 -.248E+03   -.218E+01 -.198E+00 0.447E+01   -.128E-03 0.609E-04 0.188E-03
   0.119E+03 0.959E+02 -.775E+02   -.120E+03 -.967E+02 0.799E+02   0.305E+00 0.434E+00 -.383E+01   -.502E-04 -.898E-04 -.116E-04
   0.936E+02 0.649E+02 -.163E+02   -.934E+02 -.664E+02 0.132E+02   -.705E+00 0.198E+01 0.231E+01   0.675E-04 0.117E-03 -.319E-04
   0.582E+02 0.668E+02 0.105E+03   -.590E+02 -.669E+02 -.105E+03   -.929E+00 0.119E+00 0.183E+01   0.782E-04 0.221E-03 0.122E-03
   -.105E+03 -.432E+02 0.428E+02   0.104E+03 0.437E+02 -.422E+02   0.102E+01 0.176E-01 -.159E+01   -.275E-04 0.854E-04 0.277E-03
   -.327E+03 -.577E+02 0.144E+03   0.329E+03 0.587E+02 -.142E+03   -.362E+00 -.207E+01 -.288E+01   -.658E-03 0.667E-04 0.488E-03
   -.369E+03 -.114E+03 0.198E+03   0.370E+03 0.115E+03 -.201E+03   0.797E+00 -.791E+00 0.368E+01   -.610E-03 0.220E-04 0.355E-03
   -.118E+03 -.190E+03 -.125E+03   0.117E+03 0.188E+03 0.129E+03   0.536E+00 0.995E-02 -.364E+01   -.208E-04 -.142E-04 0.170E-03
   -.175E+03 -.202E+03 -.185E+03   0.175E+03 0.205E+03 0.186E+03   0.861E+00 -.254E+00 -.338E+01   -.363E-03 -.599E-04 0.228E-03
   -.282E+03 -.113E+03 0.104E+02   0.282E+03 0.110E+03 -.818E+01   0.902E+00 0.556E+01 -.203E+01   -.486E-03 -.171E-03 0.267E-03
   -.259E+03 0.280E+02 0.241E+03   0.251E+03 -.194E+02 -.232E+03   0.546E+01 -.658E+01 -.809E+01   -.692E-03 0.868E-04 0.122E-02
   0.126E+02 -.155E+02 -.119E+03   -.100E+02 0.837E+01 0.111E+03   -.308E+01 0.710E+01 0.835E+01   0.371E-03 0.114E-03 -.135E-03
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   -.487E+03 -.428E+02 0.510E+03   0.506E+03 0.601E+02 -.563E+03   -.181E+02 -.177E+02 0.524E+02   0.149E-02 -.102E-02 0.580E-04
   -.502E+03 0.381E+03 0.821E+02   0.534E+03 -.416E+03 -.668E+02   -.321E+02 0.358E+02 -.172E+02   0.132E-02 -.120E-02 -.580E-03
   0.154E+03 0.464E+03 0.245E+03   -.187E+03 -.482E+03 -.258E+03   0.355E+02 0.194E+02 0.116E+02   0.126E-02 -.123E-02 -.142E-03
   0.701E+03 -.261E+03 0.140E+03   -.729E+03 0.289E+03 -.110E+03   0.255E+02 -.292E+02 -.316E+02   -.448E-04 0.269E-03 0.422E-03
   0.261E+03 -.345E+03 0.253E+03   -.221E+03 0.379E+03 -.268E+03   -.423E+02 -.324E+02 0.163E+02   -.688E-03 -.660E-04 0.138E-03
   0.925E+03 0.535E+02 0.487E+03   -.955E+03 -.580E+02 -.536E+03   0.294E+02 0.396E+01 0.487E+02   0.767E-03 0.711E-03 0.801E-03
   0.238E+03 -.101E+03 -.511E+03   -.206E+03 0.107E+03 0.597E+03   -.295E+02 -.483E+01 -.729E+02   -.240E-03 0.322E-03 -.608E-04
   0.677E+03 0.392E+03 -.341E+03   -.714E+03 -.413E+03 0.351E+03   0.361E+02 0.201E+02 -.929E+01   0.103E-03 0.144E-02 0.137E-03
   0.815E+02 0.280E+03 0.118E+03   -.438E+02 -.316E+03 -.157E+03   -.366E+02 0.333E+02 0.375E+02   0.265E-04 0.627E-03 0.986E-03
   -.605E+03 -.304E+03 0.485E+03   0.640E+03 0.335E+03 -.505E+03   -.344E+02 -.326E+02 0.207E+02   0.414E-04 0.322E-03 0.736E-03
   0.459E+01 -.392E+03 0.110E+02   -.385E+02 0.420E+03 0.168E+02   0.360E+02 -.278E+02 -.284E+02   -.550E-03 0.813E-04 0.278E-03
   -.320E+03 0.318E+02 0.937E+02   0.343E+03 -.643E+02 -.448E+02   -.216E+02 0.308E+02 -.482E+02   0.264E-03 -.967E-04 0.247E-03
   0.750E+03 -.449E+02 -.519E+02   -.773E+03 0.700E+02 0.142E+02   0.226E+02 -.275E+02 0.400E+02   0.270E-03 0.888E-03 -.955E-03
   -.124E+03 0.351E+03 0.129E+03   0.163E+03 -.373E+03 -.131E+03   -.386E+02 0.269E+02 -.621E+01   0.280E-03 0.359E-03 -.118E-02
   0.972E+03 0.276E+03 0.980E+02   -.101E+04 -.301E+03 -.826E+02   0.422E+02 0.257E+02 -.162E+02   0.636E-03 0.106E-02 -.614E-03
   0.910E+03 -.120E+03 -.637E+03   -.920E+03 0.131E+03 0.681E+03   0.975E+01 -.108E+02 -.442E+02   0.483E-03 0.238E-03 -.932E-05
   0.631E+03 -.383E+03 -.256E+03   -.616E+03 0.416E+03 0.238E+03   -.186E+02 -.332E+02 0.192E+02   -.113E-03 0.370E-03 -.556E-04
   0.116E+04 0.999E+02 -.241E+03   -.124E+04 -.102E+03 0.208E+03   0.650E+02 0.213E+01 0.304E+02   -.322E-03 0.202E-03 -.616E-03
   -.536E+03 0.776E+02 -.286E+03   0.570E+03 -.812E+02 0.326E+03   -.333E+02 0.308E+01 -.415E+02   -.136E-03 0.399E-03 -.600E-03
   0.189E+03 0.547E+03 -.194E+03   -.199E+03 -.566E+03 0.219E+03   0.153E+02 0.167E+02 -.106E+02   0.376E-04 -.649E-03 0.182E-02
   -.404E+03 -.898E+01 0.216E+03   0.436E+03 0.243E+01 -.268E+03   -.302E+02 0.661E+01 0.512E+02   0.369E-03 0.770E-04 -.106E-02
   -.453E+03 -.393E+03 0.200E+03   0.473E+03 0.424E+03 -.233E+03   -.180E+02 -.325E+02 0.328E+02   -.761E-03 -.135E-03 -.735E-06
   0.204E+03 -.602E+03 -.211E+03   -.224E+03 0.625E+03 0.228E+03   0.229E+02 -.247E+02 -.177E+02   -.928E-03 0.285E-04 0.578E-03
   -.513E+03 -.181E+03 0.421E+02   0.556E+03 0.164E+03 -.107E+02   -.422E+02 0.183E+02 -.330E+02   -.575E-04 -.104E-02 0.901E-03
   0.106E+04 -.102E+02 -.168E+03   -.111E+04 0.307E+02 0.145E+03   0.500E+02 -.200E+02 0.217E+02   0.174E-02 0.105E-02 -.377E-03
   0.558E+03 0.525E+03 0.113E+03   -.548E+03 -.545E+03 -.141E+03   -.121E+02 0.216E+02 0.277E+02   0.156E-02 0.113E-02 -.144E-03
   0.955E+03 0.344E+03 -.401E+03   -.972E+03 -.394E+03 0.454E+03   0.131E+02 0.468E+02 -.482E+02   0.142E-02 0.161E-03 0.106E-02
   0.577E+03 -.142E+03 -.553E+03   -.599E+03 0.157E+03 0.590E+03   0.202E+02 -.157E+02 -.385E+02   0.106E-02 -.850E-03 -.138E-02
   0.203E+03 -.309E+03 0.455E+02   -.168E+03 0.343E+03 -.644E+02   -.379E+02 -.338E+02 0.193E+02   -.393E-03 -.275E-02 -.373E-03
   0.435E+03 0.117E+03 0.982E+02   -.474E+03 -.118E+03 -.138E+03   0.387E+02 0.103E+01 0.406E+02   0.164E-02 -.252E-03 0.661E-03
   -.387E+03 -.651E+02 -.279E+03   0.429E+03 0.631E+02 0.318E+03   -.402E+02 0.263E+01 -.375E+02   -.211E-02 -.982E-04 -.772E-03
   0.432E+03 0.242E+03 -.177E+03   -.486E+03 -.288E+03 0.202E+03   0.510E+02 0.408E+02 -.223E+02   0.271E-03 0.591E-03 -.135E-02
   -.252E+03 0.780E+02 0.193E+03   0.284E+03 -.995E+02 -.247E+03   -.286E+02 0.202E+02 0.509E+02   -.202E-02 -.108E-03 0.219E-03
   -.371E+03 -.436E+03 0.370E+03   0.392E+03 0.470E+03 -.396E+03   -.191E+02 -.351E+02 0.273E+02   -.194E-02 -.232E-02 0.105E-03
   0.109E+03 -.528E+03 -.118E+03   -.136E+03 0.549E+03 0.145E+03   0.303E+02 -.216E+02 -.288E+02   -.695E-04 -.219E-02 -.637E-03
   -.407E+03 -.119E+03 -.384E+01   0.447E+03 0.999E+02 0.371E+02   -.396E+02 0.199E+02 -.336E+02   -.223E-02 -.768E-03 -.100E-02
   -.233E+01 -.782E+02 0.858E+03   -.251E+02 0.100E+03 -.900E+03   0.276E+02 -.227E+02 0.430E+02   0.281E-03 0.495E-03 0.280E-02
   -.218E+03 0.137E+03 0.685E+03   0.254E+03 -.154E+03 -.703E+03   -.378E+02 0.186E+02 0.172E+02   0.109E-02 0.501E-03 0.250E-02
   0.175E+03 0.363E+03 0.320E+03   -.203E+03 -.391E+03 -.300E+03   0.277E+02 0.296E+02 -.210E+02   0.349E-03 0.371E-03 0.210E-02
 -----------------------------------------------------------------------------------------------
   0.996E+01 0.243E+02 0.808E+02   -.995E-12 -.796E-12 0.404E-11   -.996E+01 -.243E+02 -.808E+02   -.245E-03 0.880E-04 0.267E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.59942      3.12901      1.37646         0.781994      0.978325      0.423089
     12.38420      3.60740      2.73604         1.554993     -1.186299     -1.034150
     12.42658      5.02166      3.00508         1.074812     -0.775808      0.522797
     12.79508      4.11879      0.33578         0.003202     -2.340372      1.522172
     12.84646      5.45019      0.66065         0.261587      1.196077     -0.231480
     12.68047      5.96943      1.98110         0.335871     -0.454175     -0.245381
     12.57039      1.60941      1.22730         0.834243      2.746476      3.379485
     12.14409      2.38215      3.68808         1.647370      0.460011     -3.849121
     12.81700      7.44523      2.19999         0.114802      0.536369      0.255299
     12.67686      8.05404      3.47772         0.503502      0.486806      0.501937
     12.88213      9.45218      3.67425         1.407955      1.051460     -0.895215
     13.13824      8.32254      1.11529        -0.087205     -1.353901     -0.767950
     13.32558      9.67857      1.23801         0.112596      1.720450      1.795184
     13.23694     10.28400      2.54163         0.054346     -0.523348      0.344804
     13.40400     11.79474      2.90828        -0.368353     -4.165902      1.891640
     12.82362     10.28740      4.98514         2.963766      0.392184     -2.205967
     13.31024     12.88290      5.34493         1.719951     -0.390266      0.735800
     13.00514     12.80845      6.75416         1.539221     -1.822370     -3.008039
     13.14472     13.88227      7.52678         1.113005      1.721713      0.584485
     13.67289     14.20797      4.86137         1.180453     -1.412731      0.416230
     13.76618     15.32718      5.68636         0.510733     -0.830140      1.377322
     13.47991     15.20027      7.11936         1.053639     -0.703636     -2.238585
     13.60386     16.31039      8.02893         0.392710      0.654627      1.907957
     13.18276     16.19022      9.40375         0.457043      0.523820     -0.264944
     13.34838     17.26475     10.30453         0.096823     -0.327816     -0.769229
     14.14219     17.59324      7.67476         0.177354     -1.673384      0.499255
     14.28525     18.63262      8.54302         0.622912      0.748820      0.584916
     13.91121     18.47087      9.86105        -0.174336      0.075174      1.285158
     12.55933     14.93130      9.90731        -0.247833      0.377891      0.150521
     14.15804     16.64939      5.09101         2.676363     -3.177750      2.061253
      9.74031      3.79594      4.82002        -0.294299      0.649747      0.444657
     10.00109      4.76041      3.80289        -0.887909     -0.192884      0.528217
     10.08489      6.14997      4.16993        -0.508129     -1.238057     -0.622577
      9.55013      4.22120      6.19261         0.641901     -0.769657     -2.947419
      9.66634      5.54893      6.48772         0.096490      0.935432      0.848781
      9.96516      6.55399      5.51378        -0.251342     -0.359041      0.075900
      9.67015      2.34517      4.34141         0.806046      7.940235     -3.836820
     10.19298      4.09710      2.39342        -1.999961     -1.554834      4.681604
     10.12277      7.97291      5.91601        -0.184069      0.380676     -0.041424
     10.48279      8.92722      4.94034        -1.122912      1.635369      0.309027
     10.61462     10.29863      5.28065        -2.431557      1.016231      1.068696
      9.90980      8.42378      7.24828        -0.120994     -1.198277      0.173941
     10.03576      9.74666      7.62617         0.459797      2.428197     -0.815186
     10.37479     10.75873      6.65766        -0.676330     -1.517717     -1.190144
     10.54168     12.25528      6.81948         0.026151     -4.460822     -4.932703
     11.05469     11.50899      4.40275        -1.760813      0.502931      0.221233
     11.22581     14.08011      4.96473        -1.706358     -0.774183      0.199281
     11.65167     14.43303      3.65098        -1.860135     -1.645093      1.224515
     11.91082     15.72773      3.35618        -0.454275      0.995067      0.301854
     11.10152     15.12193      5.92962        -0.739391     -0.420433     -1.412254
     11.28462     16.46055      5.55901        -0.560566      0.411800     -0.771671
     11.69742     16.80917      4.20745        -1.759301      0.052357      1.416678
     11.96226     18.22252      3.83881         0.436746      0.497674     -1.024221
     12.39270     18.61283      2.55349         1.634338     -1.083227     -0.627114
     12.40692     19.95247      2.14245         1.538721      0.386278      0.759095
     11.82933     19.30616      4.73460         0.102092     -1.687201      0.308682
     11.93234     20.60594      4.44073         0.863699      2.191882     -1.902183
     12.20998     20.97674      3.09258         1.072095      1.914156      0.220952
     12.70119     17.48980      1.40088        -2.473892      2.027260      0.407776
     11.03728     17.52196      6.62932        -0.460752      0.023823      0.254482
      9.78711      7.11089     14.52072         2.058313      2.084456      1.125110
      9.61221      7.62163     15.90104         2.124580     -0.209240     -1.052341
      9.76262      9.07342     16.18103         1.190832     -2.383998     -0.108369
     10.00558      8.15751     13.47630         0.729926     -2.486065      1.725850
     10.12409      9.49432     13.81411         0.497467      0.412540     -0.184941
      9.99602     10.00233     15.15917         0.628840      0.041967     -0.026519
      9.59203      5.70410     14.46158         2.785303     -1.749123      0.484916
      9.36076      6.45104     16.86122         2.775533      0.428719     -3.473301
     10.14154     11.47087     15.45948         0.316992      0.296661     -0.259959
     10.02577     12.01605     16.75989         0.723304      0.536525      0.901054
     10.17274     13.42253     17.02113         1.252730      0.755747     -0.680291
     10.43883     12.40027     14.40339        -0.057896     -1.316859     -0.740165
     10.59352     13.74771     14.58684        -0.099497      1.425031      2.034713
     10.44661     14.29682     15.91447         0.326742     -0.373008      0.214616
     10.49897     15.81047     16.28528        -0.115091     -5.103803      2.605809
     10.05419     14.21919     18.38648         2.095131      1.370316     -4.904295
     10.28721     16.91931     18.77502         1.113753     -0.711157     -0.850803
     10.07562     16.84024     20.17360         0.451458     -1.654241     -2.269609
     10.02642     17.96129     20.91692        -0.108885      1.627328     -0.261914
     10.46058     18.26130     18.23792         1.158487     -0.944095      0.718173
     10.43482     19.41749     19.04414         0.748700     -0.894200      0.986920
     10.22451     19.30422     20.48536         0.382291     -1.193666     -2.732976
     10.23708     20.43240      0.09024         0.164720      1.162930      2.258442
      9.94121     20.29606      1.50515        -1.461988      2.402136     -0.456617
      9.89736      0.12550      2.36403        -0.954524      1.305171     -1.935772
     10.53383      0.51087     20.96923         0.348629     -0.999951      0.515397
     10.41304      1.63432      0.51205        -1.319150      0.113830      1.013595
     10.09088      1.47736      1.85922        -1.355304      0.319850      1.389969
      9.65910     18.99999      2.11743        -6.991404      5.241475      0.640238
     10.64510     20.74913     18.40935         2.676050     -1.571438     -0.572615
      7.22815      7.55533     17.55191        -1.303866      0.665408      0.479304
      7.48816      8.52269     16.55198        -1.602500     -0.971632      0.141948
      7.59390      9.90915     16.90487        -0.994241     -0.009995     -0.823683
      7.05984      8.00034     18.92789         0.281551     -1.927656     -2.237937
      7.10328      9.32287     19.20055         0.024060      1.943865      1.067783
      7.37920     10.34951     18.22139        -0.456705     -0.146263      0.380489
      7.12902      6.08518     17.02890        -0.962682      5.865871     -2.602294
      7.69635      7.79989     15.15407        -2.237945      0.676422      0.558016
      7.38401     11.80738     18.64090        -0.017444      0.091600     -0.459192
      7.71598     12.85270     17.73169        -0.869670      1.044719     -0.318752
      7.72486     14.22459     18.12489        -1.801569      0.810087      1.187919
      7.03846     12.20004     19.95299         0.011518     -1.082694      0.596318
      6.99998     13.51803     20.39585         0.904374      2.079163     -1.676287
      7.33985     14.58174     19.48835        -0.348812     -1.020575     -0.617449
      7.36637     16.09276     19.76767         0.980234     -3.384262     -4.707359
      8.09477     15.50029     17.35407        -1.273460      0.159034      1.227992
      8.02709     18.09914     18.08792        -1.261282     -1.407129     -0.754295
      8.62214     18.50965     16.84046        -2.403276     -3.226781      1.475274
      8.81309     19.80011     16.58611         1.108464      2.076334      2.148630
      7.69023     19.11678     19.00755        -0.673369     -1.064667     -0.375199
      7.86172     20.46556     18.68600        -1.083817      0.858041     -0.792940
      8.37815     20.88974     17.42378        -1.911188     -0.848457      0.037242
      8.66692      1.06782     17.05630        -0.888119      0.465398     -0.256578
      8.96547      1.42648     15.73614         0.180326      0.033323     -0.206461
      9.17646      2.77530     15.35973         0.395248      0.717027      1.247743
      8.64418      2.18945     17.99484        -0.300038     -3.510039      0.299997
      8.82126      3.45411     17.67884         1.203754      3.558365     -1.478639
      9.10897      3.84187     16.32728         1.362570      0.235855     -1.310121
      9.08040      0.39922     14.66281         2.093285      0.551635     -1.747690
      7.44001      0.25740     19.72466        -0.510472     -0.196264     -0.180413
      7.05312     10.81244      6.10194        -0.135534      0.852972      0.670914
      6.84663     11.32193      7.45226         0.105985     -0.931809     -1.406333
      6.97213     12.70808      7.70238        -0.126787     -0.541244      0.176278
      7.40194     11.74326      5.06344        -0.674483     -2.016307      1.386757
      7.52502     13.08545      5.36817         0.192122      1.061915     -0.463204
      7.30368     13.63048      6.65829        -0.101622     -0.343281      0.340612
      6.87788      9.27230      5.98528        -0.606164      5.389624      6.321494
      6.50053     10.14480      8.43293         1.252622      0.145591     -5.622258
      7.42032     15.10881      6.89309        -0.040052      0.360299      0.225516
      7.12359     15.72551      8.14616        -0.097335      0.524813      0.452569
      7.22354     17.13191      8.33418         0.572328      1.157462     -1.151535
      7.82015     15.97285      5.83217        -0.130026     -1.199434     -0.609784
      7.92724     17.33606      5.95468        -0.761709      1.786387      1.722634
      7.66417     17.96755      7.22663        -0.611116     -0.818803      0.400848
      7.79011     19.48049      7.59618        -1.988235     -5.573773      3.296151
      6.95789     18.00041      9.60588         2.817037      1.244225     -5.874560
      7.28619     20.65894      9.98500         1.071574     -0.843130     -0.710931
      6.80867     20.62107     11.32901         1.807709     -3.051755     -2.958251
      6.75929      0.46020     12.05692        -0.059353      1.990721      0.952624
      7.71233      0.68980      9.54210         0.153538     -1.050331     -0.024146
      7.68188      1.83108     10.36886         0.309619     -0.540379      1.092205
      7.22851      1.75450     11.74730         0.927780     -0.351465     -2.397399
      7.26484      2.88014     12.67014         0.084958     -0.088704      1.862653
      6.86635      2.76913     14.06489         0.799879      2.973899     -0.193906
      6.93623      3.87916     14.94474        -0.623461      0.708870     -0.863937
      7.69228      4.16267     12.29860         0.769617      0.495041      1.813406
      7.77567      5.32501     13.17027        -1.349631     -1.985388      1.424814
      7.32148      5.17535     14.53458        -1.332866      1.321678     -0.374716
      6.37970      1.51259     14.60064        -6.691205     14.075881      6.410694
      8.16036      3.11719      9.81514         1.114964     -0.771443      1.163436
      4.03994     11.47865     10.79164        -0.220184      0.600413     -0.745675
      3.73831     12.40972      9.71045         0.267122     -1.089047      0.846167
      3.82468     13.80574      9.95828        -0.077075     -0.583163     -0.399026
      4.37444     12.00332     12.08358        -0.371755     -1.526914     -1.591805
      4.42507     13.37043     12.27864         0.160110      1.171317      0.567407
      4.17821     14.32501     11.24558        -0.134042     -0.559649     -0.132616
      3.94532      9.97574     10.34518        -1.327996      5.364240     -2.376402
      3.34436     11.63894      8.37540         1.747565     -1.771790      6.106037
      4.28215     15.79844     11.50644        -0.086853      0.236955     -0.375374
      4.17533     16.72837     10.43838        -0.273953      1.421406      0.194184
      4.34181     18.13636     10.65776        -0.967124      0.081770      1.440354
      4.52661     16.31761     12.80873         0.382670     -1.008418      0.125994
      4.68211     17.66484     13.06779         0.451164      1.819703     -1.872069
      4.56554     18.62800     12.00805        -0.655002     -2.420147     -1.975052
      4.70603     20.10574     12.05825        -3.569432    -11.151452    -15.018354
      4.35534     19.29515      9.61253         0.102311      0.120709      6.540071
      4.75757      0.68103     10.07659        -0.841814     -1.030360      0.387428
      5.00735      1.00560      8.71480        -0.941300     -2.192535      1.517539
      5.29777      2.28445      8.36558        -0.382517      0.455538     -0.370950
      4.75609      1.77115     11.00616        -0.659982     -0.484930     -0.834338
      4.98876      3.10462     10.60957        -0.951579     -0.197368     -1.108748
      5.30047      3.36496      9.21565         0.016651      1.291188      1.628343
      5.76316      4.79019      8.72604         0.664846      0.647542      2.427893
      6.10460      5.08128      7.45851         1.817949     -0.095279     -2.150718
      6.37016      6.41972      7.04378         0.858532      0.491739      0.308873
      5.73978      5.98216      9.65594        -0.329914     -6.199456      0.521195
      5.91170      7.18857      9.29134         2.042796      5.626080     -2.623197
      6.26121      7.49122      7.91282         0.718353      1.677061      0.060472
      6.19815      3.95101      6.38571        -0.242732      0.061485      0.015402
      4.86606      4.16170     11.66557        -0.669678      0.110575      0.246045
      1.50077     14.32025      0.54601        -1.021669      1.908953      1.621003
      1.95122     14.77447      1.87131        -1.126248     -1.360812     -1.221399
      1.79779     16.16311      2.19055        -0.071267     -0.105880      1.273998
      0.90985     15.35688     20.89219        -0.541966     -4.140749      1.944638
      0.90053     16.63431     21.22877        -0.711035      2.580203      0.755454
      1.28060     17.14162      1.26968        -0.349076     -0.374258     -0.134515
      1.66911     12.87535      0.32714        -0.895347     -0.372275      1.312201
      2.54666     13.51173      2.65515        -2.685592      1.338561     -4.824637
      1.09553     18.63089      1.48366         0.132035     -0.087699      0.855010
      1.44761     19.29337      2.70341        -0.236667      0.517014      0.263739
      1.34556     20.70904      2.83015        -0.627779      0.439668     -0.368146
      0.56987     19.46887      0.44442        -0.326889     -1.295554     -0.952109
      0.41974     20.82805      0.51307         0.660721      1.510881      3.080661
      0.83749      0.24078      1.74682        -1.000769     -1.201397     -0.717164
      0.82209      1.75768      1.99073         1.280967     -5.272443      3.943182
      1.73371      0.36233      4.04074        -2.416105      0.812440     -5.787682
      1.58159      3.01185      4.16825         0.008985     -1.193914     -0.053249
      2.14239      2.95333      5.47934        -1.282083     -0.244128     -2.683289
      2.34502      4.12321      6.12586        -0.657795      0.230948     -0.369578
      1.24379      4.28499      3.63110        -0.192379     -0.446892      0.844680
      1.50419      5.47183      4.34046        -0.287959     -1.003872      0.986653
      2.13875      5.42334      5.64998        -1.528773     -0.303071     -1.696268
      2.45877      6.58602      6.44105        -0.636896      2.321071      1.326722
      3.06477      6.49585      7.69823        -1.164148      2.032432     -0.650283
      3.37900      7.64961      8.47418        -0.941698      0.846010     -1.087545
      2.25697      7.99301      6.00331        -1.788321     -3.222780     -1.011639
      2.63030      9.07540      6.65590         0.763165      2.657218      2.584672
      3.16271      8.96310      7.97942         0.569730      0.489532      1.457596
      3.32071      5.19642      8.30034        -7.274442      2.089237     -7.491532
      1.03852      6.75404      3.73765        -1.666965     -0.943749      0.832330
      4.61388     14.01439      0.76494        -0.063975      0.893038      0.034519
      3.80024     14.98797      0.03878         1.451693     -1.706734     -0.028654
      3.84826     16.36713      0.42673         0.169641      0.436038     -1.164502
      5.45581     14.51782      1.84770        -1.307246     -2.031224     -1.650510
      5.44757     15.84626      2.17351         0.366297      1.767392      0.963732
      4.66551     16.85179      1.49580         0.203160     -0.002926     -0.072068
      4.49553     12.54058      0.23540        -1.814644      4.724639     -1.009235
      2.96741     14.21880     20.19188         2.906105      0.039250      0.409116
      4.75998     18.34834      1.93344         0.046912     -0.060271     -0.055455
      4.04358     19.42858      1.31474        -0.339487      0.118061     -0.882407
      4.13885     20.77730      1.74668         1.286895      1.148517      1.282553
      5.61410     18.73486      3.02209         0.183697     -1.584317     -0.053578
      5.76736     20.02943      3.47947        -1.011911      2.304457     -0.624612
      5.02891     21.10446      2.85746        -0.420336     -0.732607     -0.666594
      5.07341      1.37096      3.22862        -4.003435     -4.158962     -5.376663
      3.43282      0.85268      1.21925         4.665733     -1.119635      4.084083
      3.69052      3.46412      2.15716         0.684464     -1.236250     -0.534173
      2.85621      4.03177      1.13877         1.425736     -2.368070      1.001935
      2.65252      5.38169      1.11162        -1.692508     -2.079033      1.371660
      4.20695      4.36874      3.12887         0.340469     -0.784701     -0.264349
      3.98219      5.75442      3.07405        -0.419957      0.269868     -2.161802
      3.24248      6.32968      1.93969         2.477501      0.681662      2.538345
      3.10826      7.90955      1.79193         1.697532      1.089519      0.154785
      2.35349      8.48161      0.77936         0.276835      2.085896      1.420385
      2.16037      9.89939      0.70843        -0.635100      0.170600      0.296632
      3.60704      8.95978      2.81620         1.213912     -7.245143     -1.158230
      3.34588     10.20547      2.79970        -1.402461      7.047196     -1.134780
      2.60275     10.79949      1.68241        -0.544069      1.174250      0.196130
      1.81082      7.56519     21.04800        -0.968735      1.172649      2.092506
      4.58438      6.63554      4.13749        -0.440414     -0.336155     -2.717441
     18.35369     17.29832     13.24230         0.250011      0.437764      0.538775
     19.49482     17.81118     13.97699        -1.878871     -0.330490      0.494760
     19.64072     19.23743     14.12946        -1.074252     -1.167568      0.975564
     17.42439     18.23706     12.66376         0.808189     -2.106911      0.504388
     17.61251     19.58743     12.84359        -0.477047      1.247007     -0.177334
     18.68153     20.14250     13.60091         0.321228     -0.916652      0.393141
     18.32850     15.73690     13.19690         2.792618      4.262076      2.179577
     20.38144     16.67615     14.44154        -1.235649     -0.418489      0.444777
     18.79704      0.33508     13.85208        -0.063537      0.565445      0.013585
     19.87841      0.89386     14.58354         0.427105      1.190842      0.641659
     19.94770      2.28776     14.89419        -2.055041      0.957813     -0.518173
     17.78045      1.22059     13.39871        -0.287468     -0.636709     -0.332026
     17.77105      2.57096     13.68503         1.709505      1.310144      1.250205
     18.84757      3.14379     14.44970         0.353215     -0.974052     -0.103493
     18.99944      4.60412     14.87011         3.596993     -6.111011      1.240920
     20.92735      3.10742     15.69283        -2.115335      0.374173      1.484411
     20.94276      5.70990     16.34124         0.444911     -2.181506      2.247879
      1.06235      5.64523     16.91867        -3.824253     -1.192802      0.506166
      1.63759      6.76573     17.41181        -5.252690      1.438846     -3.962832
     20.37258      6.97406     16.37606        -0.999897      0.144520      0.760067
     20.94657      8.12817     17.04501         0.500903     -2.051042      0.902513
      1.01132      8.03046     17.57803        -2.448677      0.428690     -0.324473
      1.63840      9.23867     18.18662         4.645151     -4.975435      1.552389
      3.00644      9.11394     18.95957        -1.978515     -0.972375     -1.721178
      3.47251     10.17961     19.64580         1.653287      1.203452      0.783145
      1.05218     10.33570     18.41180        -2.308565      6.931499      2.370694
      1.68471     11.67427     18.91039         2.520676     -3.727684      2.051718
      2.95147     11.49320     19.60766         0.248849      2.761642     -1.248460
      3.72172      7.82530     18.93848         1.451600      3.757106      1.704868
     20.13852      9.33643     17.10548         4.617318      0.167487      4.134736
      2.08812     18.10166     14.09729        -0.767515      0.511262     -0.085094
      1.20749     19.09101     13.52622         1.174488     -0.595691      0.189308
      1.41448     20.47396     13.85357        -0.041902     -1.310488     -0.533358
      3.17104     18.53188     14.93783        -1.853003     -1.399382     -0.414184
      3.38639     19.87276     15.14304         0.353509      1.533437      0.839983
      2.50603     20.90199     14.65318        -0.293095     -0.692429     -0.153975
      1.64487     16.64830     13.78273        -0.828131      3.931744     -0.434331
      0.13704     18.46587     12.59417         4.045689     -2.143859      1.268037
      2.69346      1.09355     14.93479         0.237283     -0.101249      0.324167
      1.79611      2.01819     14.44884         0.373332      3.082173     -0.723246
      1.92791      3.49263     14.78011         2.151973     -0.870971     -1.190737
      3.77556      1.57810     15.74940        -0.604689     -1.339252      1.077301
      3.97618      2.89215     16.06281        -1.605210      2.261365     -0.037663
      3.04104      3.90580     15.58644        -0.210025     -1.717974     -1.210164
      3.08688      5.35294     15.82019        -6.774690     -7.704435     -7.356169
      1.02652      4.65439     14.36786         2.613806      0.877262     -1.051598
      1.26577      7.26271     14.96505         2.077162     -1.142586     -1.629443
      0.05749      7.57218     14.34536         1.257219     -0.914325     -0.576131
     20.87412      8.87776     14.29836         1.177949     -0.056867     -0.159025
      1.95869      8.32026     15.64713        -0.076783     -0.081888     -2.130464
      1.53300      9.66766     15.53629        -0.185686     -1.106983     -2.501363
      0.30630      9.95715     14.78055         2.420428      1.042951     -0.067276
     21.02903     11.36641     14.67857        -0.488276      0.024901     -0.142210
     19.75998     11.62540     14.12807        -1.387334     -0.299415      0.371506
     19.31734     12.93869     13.86671         0.378249      0.517681      1.520253
      0.47593     12.50772     15.14216        -0.481004     -0.758321     -0.896329
      0.06567     13.78364     14.96771        -1.835363      1.350430     -0.109718
     20.10470     14.04269     14.28672        -1.081252      1.083103      0.674693
     18.79583     10.46235     13.60461         1.991991      3.699919     -3.589776
      2.36098     10.66748     16.15444         0.372377      1.308509     -0.916032
     16.21670      0.40846      5.07939        -0.231156      0.840641      0.635702
     17.14771      0.94073      6.05798        -1.605397     -0.641708     -0.526375
     17.15312      2.33804      6.33789        -0.437069     -1.153682      0.283427
     15.26530      1.30357      4.47652         1.611409     -1.938335      0.873255
     15.32367      2.65231      4.77743        -0.649613      0.939869     -0.391530
     16.24886      3.22563      5.67387         0.253837     -0.215521      0.359882
     16.38371     20.15488      4.83512         2.370487      3.930416      3.632372
     18.03148     21.06500      6.60966        -3.502010     -0.132203      0.253954
     16.26962      4.69912      5.93359         0.148535      0.513943      0.294236
     17.18397      5.29109      6.86048        -0.082711      0.746727      0.269849
     17.18481      6.68967      7.11833        -1.130526      0.997577     -0.729826
     15.36863      5.58421      5.26817        -0.350831     -1.324579     -0.563189
     15.33203      6.94341      5.47947         1.167123      1.915434      1.405406
     16.23951      7.55274      6.42037         0.491817     -0.931500      0.241661
     16.37177      9.05883      6.81912         3.297439     -5.835198      1.916360
     18.06124      7.50835      8.11287        -5.944489      1.802193     -4.249992
     18.07779     10.15372      8.59385        -1.350657     -0.603849     -0.343297
     19.11948     10.03600      9.52771        -2.476851     -1.434240     -0.622465
     19.60811     11.12648     10.16636        -0.492304      1.183400      0.318411
     17.57749     11.48159      8.36851        -0.000149     -1.027330      0.194566
     18.08080     12.59188      9.05237         0.271956     -0.196442      1.048917
     19.16064     12.45516     10.03066        -2.239350     -0.696436     -1.500130
     19.71953     13.57485     10.74889         0.842063      0.566264      1.651952
     20.85841     13.41569     11.62574         0.625577      3.214499      0.008611
      0.22743     14.50231     12.24448        -0.710097      0.793415     -1.939365
     19.23511     14.89190     10.68485         0.202293      0.390637      1.612437
     19.83934     16.03943     11.33004        -0.629818     -1.335805     -0.158741
     20.99976     15.84285     12.04333         2.120978      1.008486      0.502484
      0.20236     12.11088     11.91455         3.711989      6.306085     -0.339644
     17.48955     13.94627      8.75155        -0.996607     -1.258674      0.491520
     20.11019      1.22728      6.25406         1.083252      0.480114     -0.632010
     19.56718      2.27810      5.48116         1.043966      0.780164      0.362944
     19.76919      3.64418      5.93723        -0.089269     -1.764059     -0.970173
     20.80682      1.51509      7.50406        -0.714167     -2.109784     -2.331513
     20.94416      2.79299      7.89232         0.465259      2.173437      1.112351
     20.44973      3.91617      7.12656         0.162898     -0.409031      0.202413
     19.80570     21.07960      5.61515         1.727984      4.566390     -2.508137
     18.80732      1.79888      4.19666         4.327259     -3.299694      5.331636
     20.65919      5.31521      7.56670        -0.245289      1.015112     -0.394258
     20.21029      6.37021      6.71533         0.747882      1.182061      0.407108
     20.40082      7.73827      7.06720         1.187486     -0.186652      0.599523
      0.02073      5.68610      8.79039        -0.209373     -1.359840      0.375672
      0.24729      6.99149      9.17424        -0.459185      2.516139     -0.994003
     21.05004      8.06892      8.32438        -0.269388     -1.873728     -2.225253
     21.11288      9.56885      8.52050        -9.005777    -12.456882    -19.313583
     19.94400      9.00095      6.28472         2.899445     -0.550105      4.866066
     20.19011     11.57959      6.96420         0.391729     -1.128169      0.000248
     19.39430     11.97731      5.85290         1.227777     -1.548671      1.393749
     19.09600     13.29729      5.67321         0.308354      0.525006      0.259092
     20.72188     12.63243      7.79225         0.251047     -1.121423     -0.821232
     20.46668     13.97463      7.53609        -0.060470      0.520270     -1.534712
     19.55628     14.36424      6.44293         2.032164     -0.220150      0.987952
     19.12286     15.76993      6.24449        -0.463861      0.477398     -1.306643
     18.23266     16.11459      5.17761         0.269666      0.437671      0.129239
     17.73751     17.43761      5.04555         0.892393      0.352033      0.506765
     19.48650     16.86269      7.09678         0.096191     -1.887131     -0.519703
     19.04564     18.11938      6.99068        -2.248419      2.173630     -1.089829
     18.10403     18.46570      5.95101        -0.391219      0.421375      0.051505
     17.78963     15.10748      4.13347         0.399776      0.379137      0.327157
     21.12712     15.03107      8.39225         0.578187     -0.055501     -0.904007
     12.18942      5.33775      4.03367         0.695758     -0.123564     -0.432826
     12.90099      3.73442     20.58603         0.109724      0.196497     -0.328587
     13.02621      6.17483     21.09554        -0.160588     -0.624855      0.448182
     12.39020      7.45847      4.36775         0.364542      0.183632     -0.518024
     13.25747      7.86423      0.10020        -0.097808      0.605844      0.807580
     13.55251     10.34817      0.40319         0.004119     -0.302170     -0.110841
     12.94207     13.73635      8.56108         0.943680     -1.120831     -1.536401
     12.68056     11.84315      7.12980         0.474967     -0.028897      0.353192
     13.86368     14.29198      3.80023         0.501609      0.057009      0.053702
     13.03422     17.13662     11.33313        -0.050300      0.065638      0.222726
     14.38642     17.74751      6.64626         0.341429      0.776462      2.050801
     14.69788     19.59354      8.18857        -0.138450     -0.339721      0.123475
     10.24406      6.85686      3.34819        -0.064675     -0.033352      0.251619
      9.32685      3.45121      6.89079         0.080394     -0.200591      0.454115
      9.50938      5.85374      7.54647         0.172563     -0.182888     -0.670626
     10.72531      8.65749      3.91939        -0.611493     -0.011369      0.035965
      9.60852      7.67534      8.01979         0.244534      0.647988     -0.496195
      9.88538     10.11010      8.65120        -0.084319     -0.387684     -0.066313
     12.28436     15.93593      2.37790        -0.157144     -1.413385      1.524342
     11.79837     13.63944      2.92048        -0.115335      0.277046     -0.065068
     10.86493     14.86181      6.93123        -0.467810      0.003070      0.650266
     12.55904     20.20426      1.10024         0.298225     -0.023063      0.007463
     11.64939     19.05793      5.76816         0.788689      1.541688     -1.619489
     11.81274      0.12193      5.18516        -0.022697      0.062614      0.267673
      9.61144      9.35217     17.22430         0.745456      0.043140     -0.162081
     10.09265      7.75406     12.47177         0.055024      0.366640     -0.310385
     10.30775     10.22084     12.98821        -0.176890     -0.617285      0.531779
      9.78380     11.37745     17.63655         0.335352      0.277704     -0.576042
     10.56086     12.00031     13.36812        -0.068679      0.380460      0.739987
     10.83630     14.45333     13.79826        -0.023240     -0.107663     -0.350779
      9.84410     17.83248      0.69660        -0.185200     -1.382569     -2.795114
      9.96161     15.84399     20.62118         0.021317      0.378407      0.033165
     10.59491     18.36055     17.16773         0.783059     -0.031527      0.259163
      9.76019     -0.00327      3.41044        -0.451486     -0.220739      0.547954
     10.72725      0.68804     19.92020         1.044498      0.757512      2.599998
     10.63572      2.61978      0.12975        -0.321942      0.111389     -0.340297
      7.87543     10.61088     16.09098        -0.592399     -0.313214      0.581496
      6.89900      7.21083     19.66346         0.015267      0.285921      0.170345
      6.89651      9.65242     20.24955         0.310602     -0.367200     -0.759306
      8.02386     12.63824     16.69770        -0.780175      0.047144      0.420779
      6.74776     11.41826     20.70002         0.409347      0.721317     -0.715143
      6.72315     13.83184      0.13517         0.230908     -0.385918      0.060393
      9.35366     20.07852     15.67703         2.973528     -2.435565      3.972246
      8.95515     17.73918     16.14594        -0.126707      0.273033     -0.012533
      7.26557     18.84428     19.95683        -0.155144     -0.048752      0.391170
      9.38836      3.02884     14.33916         0.302563      0.015640     -0.377501
      8.43951      1.91721     19.04730         1.185250      1.466334     -1.441411
      8.77999      4.24994     18.42701         0.133887     -0.386130      0.059931
      6.81043     13.05156      8.73704         0.059439     -0.037809     -0.344188
      7.54640     11.32314      4.06990         0.121107      0.248416     -0.214168
      7.82506     13.77418      4.54249        -0.278617     -0.592740      0.549162
      6.80904     15.12370      9.01543         0.078918      0.137638     -0.329113
      8.06333     15.51369      4.84290        -0.164515      0.499405      0.731410
      8.21853     17.99720      5.13795        -0.098502     -0.355257     -0.115034
      6.31640      0.35505     13.08181        -0.474220     -1.098403     -5.686694
      6.40384     19.62870     11.67777         1.309427      0.865563     -0.096565
      8.08980      0.77611      8.52357        -0.061989      0.108330      0.036725
      6.67571      3.74205     15.98614        -0.194187     -0.102514     -0.068639
      7.96302      4.36390     11.27566         0.189547      0.623737      2.355133
      8.02721      6.28935     12.77933        -0.391378      0.475053     -0.483230
      3.59905     14.48567      9.11865         0.051173     -0.249033      0.330706
      4.57415     11.27134     12.87545         0.014470      0.312462      0.040564
      4.67063     13.75416     13.30121        -0.156029     -0.421219     -0.800767
      3.98541     16.41691      9.41020         0.048061     -0.117952      0.034881
      4.59557     15.61126     13.66382         0.040822      0.505903     -0.558506
      4.86059     18.07889     14.05249         0.694127     -0.441534     -0.308744
      5.52164      2.45937      7.32605        -0.899340     -1.317048      1.549033
      4.95108      0.19698      7.97524         0.124920      0.284753      0.032072
      4.56922      1.55696     12.04424        -0.341441      0.096890      0.195869
      6.66094      6.59525      6.02030         0.373703      0.063444      0.211175
      5.41414      5.74562     10.68449         0.480587      1.833591     -2.546383
      5.81074      8.02314      9.98777         0.090066     -0.232916      0.008988
      2.10757     16.48165      3.22315        -0.261438     -0.215199     -0.869855
      0.59126     14.93097     19.94868        -1.017817      0.566092      0.301308
      0.54457     17.34739     20.46185         0.092132     -0.441816      0.396108
      1.81570     18.73439      3.58220        -0.090911      0.116455     -0.398225
      0.24528     18.99775     20.74604         0.228852      0.362406      0.703743
      0.02723      0.21184     21.00118        -0.160155     -0.075014     -0.552925
      2.74296      4.00394      7.09789        -1.894865     -1.304413     -1.985463
      2.35774      1.98962      5.90150         0.155642     -0.195419      0.429623
      0.80597      4.32392      2.64877        -0.301544      0.135656     -0.125466
      3.79885      7.52346      9.44482        -0.168877     -0.018869      0.553092
      1.86574      8.09046      4.96562         1.010853      1.097772      2.825947
      2.50650     10.07771      6.23511        -0.070090     -0.174220     -0.081706
      3.18196     17.07278     21.12233         0.996758     -0.597197      0.355525
      6.07673     13.75469      2.34882        -0.148738      0.505082      0.113522
      6.09920     16.18002      3.03179        -0.592870     -0.428061     -0.892026
      3.35815     19.22910      0.44989         0.689713      0.099861      0.666327
      6.20919     17.93582      3.54230        -0.542776      0.783169     -0.446725
      6.42229     20.32452      4.30538         0.066095     -0.381442     -0.018534
      2.00479      5.75672      0.31072        -0.699235     -4.009872      2.744779
      2.37932      3.34291      0.41863         0.206297      0.659888      0.226441
      4.80812      3.96461      3.94319        -0.183610      0.113589     -0.202362
      1.65582     10.28744     21.08550        -0.350994     -0.203654      0.521438
      4.10119      8.48140      3.68799        -0.817056      2.578021     -1.898314
      3.73196     10.90417      3.57474        -0.299407     -0.497426     -0.273503
     20.54098     19.59094     14.64538        -0.533246     -0.050566      0.142711
     16.58727     17.80535     12.10006         0.052854      0.343866      0.003595
     16.88607     20.29674     12.37146         0.485364     -0.731772      0.350808
     20.71005      0.27870     14.94602        -0.370292      0.002329      0.045243
     16.94870      0.81665     12.78893         0.390281      0.258352      0.392999
     16.98787      3.24878     13.36992        -0.336419     -0.008666     -0.232444
      2.72995      6.67471     17.63885        -0.353359      0.004427     -7.340763
      1.57099      4.66906     16.85865        -0.346037      0.189131      0.971592
     19.39360      7.09780     15.90837        -0.000894     -0.008281      0.240868
      4.36691     10.07597     20.24703         0.190314     -0.250082      0.106697
      0.11965     10.58682     17.90299         1.595157      0.099206      2.389689
      1.27051     12.59962     18.64168        -0.407400      0.943082     -0.495736
      0.68080     21.18022     13.45878         0.297266     -0.034338     -0.153965
      3.81231     17.72798     15.33729        -0.440926      0.581462      0.431542
      4.29359     20.19094     15.72444        -0.849570     -0.364812     -0.396909
      0.90580      1.77903     13.85563         0.435395     -0.080060      0.002043
      4.55450      0.84369     16.07678        -1.533142      0.681759      0.285262
      4.80206      3.27661     16.66115         0.011541     -0.399865      0.107158
     19.95015      9.03988     13.81664         1.471359     -1.304442      0.203889
     20.74486      6.77824     13.86757         0.061347      0.136110     -0.179551
      2.83731      8.09883     16.21993         0.645797      0.141802     -0.593242
     18.39087     13.11716     13.35679        -0.415581     -0.049941     -0.173166
      1.42218     12.35109     15.63177        -1.325970      1.645167     -1.797799
      0.65151     14.62893     15.30824         0.122780     -0.112407      0.138262
     17.89238      2.69549      7.05824        -0.492672     -0.010352      0.099450
     14.53575      0.84699      3.81726        -0.162622      0.257161     -0.259944
     14.58572      3.31634      4.26830         0.570731     -0.511686      0.382752
     17.92341      4.68234      7.39527        -0.290673      0.096550     -0.069982
     14.65134      5.14164      4.53073         0.568685      0.487130      0.572178
     14.64623      7.62919      4.97151         0.010458     -0.369213     -0.092223
     20.41107     10.95429     10.85631        -1.407702     -1.079295     -2.318517
     19.56715      9.03525      9.68661        -0.810466      0.642255      0.426803
     16.78050     11.59698      7.64657        -0.123946      0.213256     -0.115136
      1.06404     14.35187     12.88800         0.498701     -0.186056      0.078525
     18.40630     15.10596     10.00498         1.327419      0.537720      2.204042
     19.43798     17.02518     11.12742         0.114997      0.030802     -0.178201
     19.35043      4.41298      5.29332         0.052520      0.136190      0.045727
     21.16018      0.63766      8.06400         0.061393      0.443516      0.028526
      0.22900      3.01254      8.84664        -0.503909     -0.246650     -0.762301
     19.70366      6.16876      5.77797         0.066482     -0.032217     -0.128314
      0.37510      4.86888      9.46778        -0.642142      0.909343     -0.425535
      0.74624      7.28305     10.10586        -0.077918     -0.348438     -0.019063
     18.47629     13.52596      4.83774         0.697167     -1.512907      1.132357
     19.03551     11.20617      5.17477        -0.148544      0.135062     -0.070505
      0.07899     12.34931      8.63492         0.273051      0.110495     -0.033744
     17.04163     17.66877      4.26000         0.007117      0.009141     -0.356611
     20.18222     16.65388      7.89189        -1.491973      1.480015     -1.075586
     19.38682     18.92186      7.64142        -0.053957     -0.381551      0.270624
     14.05429     19.28333     10.58934        -0.112736     -0.154755     -0.166843
     18.64022     20.84705      3.65526         0.897891      1.592029      1.561886
     12.31801      1.20133      2.70688         1.176082     -1.846288      0.842758
     13.22121     11.71761      4.51634         1.726377      0.274239      0.986467
      9.99531      2.59528      2.81690        -0.766134     -1.281289     -1.782222
     10.94039     12.65243      5.36139        -1.003693      1.370114     -1.412537
      9.38244      5.23682     15.88385         1.472338     -1.433559      0.536820
     10.29900     15.69365     17.88522         1.039495      1.212362      1.645589
      7.32498      6.35000     15.50357        -1.900253     -0.720982     -0.672016
      7.83206     16.61394     18.37679        -0.770526      1.574762     -0.602620
      6.52823      8.93268      7.46956        -0.364667     -1.728913      0.585487
      7.33152     19.41981      9.09825         0.099822      1.735034      1.023943
      3.47889     10.16232      8.86297        -0.385436     -1.463826     -1.146474
      4.56388     20.51478     10.55526        -1.083348      1.684117     -1.595190
      2.29279     12.33509      1.54847         0.168134     -1.483072      0.546062
      1.37673      1.75236      3.42353        -0.106143      1.943127      0.912037
      3.49755     12.71984     20.37285         1.141162     -1.590833     -1.737838
      4.03396      1.92772      2.20426        -0.098350      1.966576     -0.144981
     19.63916     15.45542     14.03232         0.365542     -1.207066      1.544950
     20.35830      4.49705     15.73217        -1.244702      0.636056      2.185685
      0.43915     16.97221     12.71973        -0.458295     -0.725522     -2.089758
      1.74016      5.82577     15.02911        -0.047706      1.500865     -2.660630
     17.52512     19.84500      5.80950         0.106948     -1.693315      0.765459
     17.53456      8.94472      7.85817         0.367653      1.770608      0.875580
     19.04817      0.31142      4.36526         0.237992     -1.243200     -1.803589
     20.43427     10.10794      7.24567        -0.150650      1.839004     -1.767142
     11.90968      2.42455      4.88113         1.043677     -0.778404      0.270328
     12.73865      0.93782      0.23811         1.854956     -0.478481      0.400869
     12.55882      9.89637      6.11137         3.012916      0.246023      0.070499
     13.74634     12.72461      2.25051         0.317596      0.757735     -0.229423
     10.39072      4.59027      1.33112        -1.774683      0.257518     -1.714113
      9.43375      1.38262      4.91743        -1.323301     -4.676634      2.174496
     11.32159     11.48001      3.13351        -3.410176      0.893584      2.237831
     10.36634     12.91785      7.76560        -0.977578      2.050467      2.083463
      9.17675      6.49910     18.06009         1.548838     -0.987944      0.209553
      9.60131      4.93523     13.35980         2.128659      1.968668      3.614192
      9.83713     13.80456     19.47625         1.026880     -0.218939      2.020012
     10.75674     16.74564     15.61475         0.935523      1.820266     -0.705266
      7.90952      8.36071     14.03183        -3.950511     -1.214972      2.313341
      6.91220      5.08271     17.62352        -1.141455     -1.435100      0.339182
      8.48659     15.56397     16.14948        -2.941240      0.564928      1.570355
      7.09001     16.66843     20.76313        -0.410760      1.556639      1.306280
      6.28882     10.22494      9.59898         0.224303     -0.543568      1.614928
      6.99735      8.60579      5.04355         0.689488     -2.720834     -2.613154
      6.57769     17.63207     10.65747         0.758858     -0.294090      2.274172
      8.13604     20.37849      6.92251         0.577523      2.413900     -0.925117
      3.04106     12.09720      7.33483        -0.687329      0.285045     -2.374151
      4.13672      9.00303     10.99590        -0.129085     -1.584858      0.549504
      4.23693     19.22070      8.44538        -0.247330      0.452524     -2.943794
      4.83962     20.67840     12.95801         0.324088      9.082965     13.566321
      3.01461     13.45246      3.73012         0.958628     -0.896748      1.966204
      1.21535     12.21183     20.57930        -3.644989      0.879666      4.589725
      2.17015      0.05504      5.09153         0.846577     -0.037472      2.082995
      0.48521      2.63972      1.28128        -0.976782      1.850419     -0.876540
      2.18541     14.67329     19.34786         3.478457     -1.882042     -1.191633
      5.04623     11.54711      0.62249         0.278038     -0.954481      0.115912
      2.66134      0.95676      0.33110        -0.333102      1.202992     -1.871001
      5.72520      1.89811      4.03695         1.903077      1.952338      2.014844
      0.25071     16.77507     15.08958        -3.553833     -0.711251      0.721207
     17.53067     14.99927     12.72731        -1.260609     -1.316079      0.211751
      0.75246      2.68546     16.20488        -4.097407      1.020212      1.031379
     18.29165      5.50443     14.66642        -1.676841      3.324459     -0.248662
     20.53699     19.02536     11.97205         0.105508      0.251595     -2.079207
      2.16869     15.60309     14.03579         0.699810     -0.635171     -0.514377
     -0.02892      4.65455     13.68166         3.206208      0.432408     -0.794615
      3.81802      5.97419     16.38381         6.653380      5.551698      3.931183
     18.88102     21.16839      7.52591        -4.096526     -1.146701      0.462835
     15.77767     19.45742      4.09070        -0.639071     -1.519397     -1.171176
     18.86737      7.10905      8.84825         0.651529     -0.763914      3.818351
     15.75785      9.98388      6.43969        -1.097533      2.520816     -0.580835
     18.25091      2.43360      3.38884        -1.707737      1.139253     -2.854221
     20.15317     19.98785      5.97956         1.839797     -0.220451     -2.248734
     19.39676      9.05021      5.23030        -0.920630      0.709419     -1.533433
      0.31319     10.02796      9.34061        11.231700     10.931636     16.527470
     13.35891     17.61155      5.35827         0.518407      2.553387      0.958767
     15.41502     17.07825      5.63873         0.285628     -1.160542     -1.406753
     14.31025     16.62032      3.82343         1.608661     -0.429062     -2.801557
     11.91824     15.07071     11.09198         0.452647     -0.404370     -0.109528
     11.53704     14.49951      8.99994        -0.248628      1.114751      3.082423
     13.58437     13.90363     10.06955        -1.700306      1.157385      1.197466
     12.17083     18.28988      7.08828        -2.849605     -0.490242      0.477553
     10.10475     18.49125      6.14214         0.205917     -1.440642      1.783021
     10.56275     17.01329      7.78427        -0.372727      0.069983     -0.326352
     12.86269     18.07654      0.21197         0.332892     -0.434298     -0.055228
     13.69616     16.74024      1.72962         2.156160     -0.556151     -1.454494
     11.54047     16.43198      1.15255         1.790340      2.028685     -1.914658
      9.77382      0.41701     18.79530         1.985491      0.432956     -0.305723
     11.88988      0.04644     18.71992         0.506085     -0.358032     -0.408248
     10.64170     20.72892     17.05227         3.125827      0.429795      0.708487
      9.47994     18.99717      3.44039        -1.789733      0.544820      1.382096
      8.50740     18.37816      1.50874        -1.234322      0.957543      1.892678
     10.56435     18.25488      1.91753         4.714878     -6.695669     -0.404976
      8.50409      0.79591     20.53381        -3.654110      0.037162     -0.939202
      6.81307      1.36314     19.08754        -1.398042     -1.889028      1.662269
      6.59694     21.02006     20.64097        -0.485604      0.041726      0.020801
      8.94486      0.93587     13.31086         1.104164     -1.807257      3.014287
     10.31332     21.04265     14.60653        -0.605008      0.582886     -0.724616
      8.17742     20.30910     15.06485        -5.184640      3.821729     -8.603280
      7.19579      4.11307      9.90724         3.603248     -0.618002     -0.404025
      9.26222      3.65400     10.56630         0.700866     -1.071623     -2.044392
      8.54209      3.05955      8.55449         0.744463      0.030721      0.025776
      6.34459      1.44498     15.99433         0.045212      0.181228      0.330719
      5.14716      1.29696     14.15961        -3.637059      1.224532     -0.938615
      6.91099      0.62949     14.16642        11.364191    -14.389179      0.116555
      6.10040      4.95433     11.77549        -3.816335     -0.238556      1.146963
      3.90626      5.14166     11.49778        -0.122617     -0.580372      0.903292
      4.61612      3.70768     12.89726         0.018215     -0.339592      0.060749
      6.63313      4.36652      5.20034         0.946938     -0.378557     -0.019460
      7.05941      2.95688      6.83791         0.222043      0.878165     -1.875538
      4.94026      3.22622      6.04103         2.074119      1.411174     -0.893227
      0.33426      7.57868      4.62217        -1.956519     -1.335159     -1.470216
      2.03920      7.53171      3.37995        -1.364224      1.084636      1.037639
      0.33424      6.63290      2.60680        -1.346378     -0.542958      0.005891
      3.77949      5.26222      9.35498         2.526986      1.257328     12.335114
      2.11970      4.44199      8.56494        -0.328008     -0.470445      0.502263
      4.04951      4.46437      7.54375         1.076519     -1.773780     -1.608067
      5.50063      7.52496      3.58269         0.974583     -1.761737      0.197379
      3.69569      7.41050      4.78699         2.063237      0.086435     -0.579380
      5.06517      5.97147      5.12699         1.223459     -1.647291      0.717385
      1.28048      8.21087     19.96549        -0.403829     -2.298825      2.230652
      2.93271      6.68756     -0.19889         0.654638      4.576012     -7.759303
      0.72522      6.78736      0.19604        -0.255945      0.764277     -0.774747
     19.86261      9.71345     18.44765        -0.472328     -0.206419      0.199354
     20.81229     10.51372     16.58522        -3.847494     -0.463976      1.655602
     19.05190      9.28758     16.57782        -6.541226     -0.501959     -2.955685
      4.60459      7.72912     19.98162        -0.108264     -0.546508     -1.056317
      2.69135      6.62963     18.69311         4.812272     -1.580425     13.930737
      4.36322      7.65570     17.79996         1.566892      0.065189     -0.464724
      2.87875     11.60764     15.26046         1.746461     -1.087035     -0.085334
      1.54506     11.64678     16.92940         2.815229     -0.691707     -0.389680
      3.37347     10.22747     16.93113         0.315905      1.146530     -1.698007
     17.65651     10.93628     13.11734        -0.663837      0.482542     -0.721765
     19.34774      9.53674     12.50733        -2.072526      1.740615     -0.712267
     18.55081      9.61609     14.46539        -3.426640     -3.123187      4.404153
     16.89054     14.51478      9.93671        -1.234295     -0.877506     -1.817792
     18.42651     14.83214      8.33491        -2.552584      0.126984      0.368257
     16.55121     13.91452      7.78227        -0.335207      0.130296      0.306709
      1.17384     12.06525     12.83640         1.941662      0.615187      0.719745
     20.57638     11.35941     12.27255        -3.588911     -5.549856      2.373452
      0.77578     11.68091     10.85274         3.063879     -1.242891     -3.675116
      0.43840     16.08030      7.61926         1.741103     -1.879963      0.791531
     20.22213     15.73385      9.22164         3.261781      0.045551     -1.947742
      0.83254     14.54624      9.20851        -0.070829      0.333262     -0.384976
     17.11211     15.65749      3.10075         0.208953     -0.639955      0.339841
     18.96209     14.45401      3.56207        -2.013039      1.596662     -1.023547
     16.92256     14.11075      4.74286        -0.126503      1.689418     -1.859660
 -----------------------------------------------------------------------------------
    total drift:                                0.003172     -0.027086      0.000494


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4411.1906449160 eV

  energy  without entropy=    -4411.2223823331  energy(sigma->0) =    -4411.20122406
 
 d Force = 0.3413168E+02[-0.379E+02, 0.106E+03]  d Energy = 0.4308224E+02-0.895E+01
 d Force =-0.1230213E+04[-0.187E+04,-0.590E+03]  d Ewald  =-0.1216338E+04-0.139E+02


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    6(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) :-0.3323567E+00  (-0.9259566E+02)
 number of electron    2497.9999942 magnetization 
 augmentation part      161.0965608 magnetization 

  free energy =  -0.441152300102E+04  energy without entropy=  -0.441154745093E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    6(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3752
 total energy-change (2. order) :-0.3275269E+01  (-0.4094088E+01)
 number of electron    2497.9999942 magnetization 
 augmentation part      161.2099012 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7806
  0.7806

  free energy =  -0.441479827033E+04  energy without entropy=  -0.441482226577E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    6(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3936
 total energy-change (2. order) : 0.2074721E+00  (-0.1291254E+00)
 number of electron    2497.9999943 magnetization 
 augmentation part      161.1321566 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8155
  0.8155  0.8155

  free energy =  -0.441459079821E+04  energy without entropy=  -0.441457476391E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    6(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3912
 total energy-change (2. order) : 0.1740326E+00  (-0.7074433E-01)
 number of electron    2497.9999943 magnetization 
 augmentation part      161.0366052 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1119
  1.8791  0.9274  0.5290

  free energy =  -0.441441676564E+04  energy without entropy=  -0.441449325311E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    6(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3736
 total energy-change (2. order) :-0.4549718E-01  (-0.4527973E-01)
 number of electron    2497.9999943 magnetization 
 augmentation part      160.9221848 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9901
  2.1249  0.8985  0.4684  0.4684

  free energy =  -0.441446226282E+04  energy without entropy=  -0.441444198353E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    6(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3864
 total energy-change (2. order) : 0.5538988E-01  (-0.1354481E-01)
 number of electron    2497.9999943 magnetization 
 augmentation part      160.9494486 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9899
  2.2969  0.8937  0.8937  0.4326  0.4326

  free energy =  -0.441440687294E+04  energy without entropy=  -0.441447710150E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    6(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3496
 total energy-change (2. order) : 0.3240024E-02  (-0.5577649E-02)
 number of electron    2497.9999943 magnetization 
 augmentation part      160.9901698 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0180
  2.3536  1.1066  1.1066  0.6371  0.4521  0.4521

  free energy =  -0.441440363291E+04  energy without entropy=  -0.441445374958E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    6(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3704
 total energy-change (2. order) : 0.2737793E-02  (-0.2807402E-02)
 number of electron    2497.9999943 magnetization 
 augmentation part      161.0246883 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9651
  2.3430  1.0901  1.0901  0.6555  0.6555  0.4609  0.4609

  free energy =  -0.441440089512E+04  energy without entropy=  -0.441442992465E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    6(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) :-0.1581944E-03  (-0.7772152E-03)
 number of electron    2497.9999943 magnetization 
 augmentation part      161.0195887 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9892
  2.3620  1.1194  1.1194  0.9396  0.9396  0.4806  0.4806  0.4723

  free energy =  -0.441440105331E+04  energy without entropy=  -0.441443065159E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    6(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) :-0.1905523E-03  (-0.1598164E-03)
 number of electron    2497.9999943 magnetization 
 augmentation part      161.0150992 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0271
  2.4137  1.3346  1.3346  0.9441  0.9441  0.8807  0.4715  0.4715  0.4492

  free energy =  -0.441440124386E+04  energy without entropy=  -0.441442714041E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    6(  11)  ---------------------------------------



 eigenvalue-minimisations  :  3648
 total energy-change (2. order) :-0.4664753E-03  (-0.7872456E-04)
 number of electron    2497.9999943 magnetization 
 augmentation part      161.0093822 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0477
  2.5236  1.7071  1.3092  0.9311  0.9311  0.8455  0.8455  0.4696  0.4696  0.4447

  free energy =  -0.441440171034E+04  energy without entropy=  -0.441442823805E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    6(  12)  ---------------------------------------



 eigenvalue-minimisations  :  3648
 total energy-change (2. order) :-0.2792162E-03  (-0.1663466E-04)
 number of electron    2497.9999943 magnetization 
 augmentation part      161.0096660 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0756
  2.6358  1.9525  1.3072  1.0417  1.0417  0.8897  0.8897  0.6964  0.4672  0.4672
  0.4422

  free energy =  -0.441440198956E+04  energy without entropy=  -0.441442610459E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    6(  13)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) :-0.2697956E-03  (-0.1900455E-04)
 number of electron    2497.9999943 magnetization 
 augmentation part      161.0118368 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0917
  2.6657  2.0927  1.2365  1.2365  1.0149  1.0149  0.8676  0.8676  0.7264  0.4676
  0.4676  0.4427

  free energy =  -0.441440225935E+04  energy without entropy=  -0.441442598801E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    6(  14)  ---------------------------------------



 eigenvalue-minimisations  :  3504
 total energy-change (2. order) :-0.2246691E-03  (-0.5484006E-05)
 number of electron    2497.9999943 magnetization 
 augmentation part      161.0122293 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1425
  2.7500  2.4099  1.5305  1.5305  1.0283  1.0283  0.8975  0.8107  0.8107  0.6781
  0.4676  0.4676  0.4426

  free energy =  -0.441440248402E+04  energy without entropy=  -0.441442587273E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    6(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2808
 total energy-change (2. order) :-0.1933376E-03  (-0.2049536E-05)
 number of electron    2497.9999943 magnetization 
 augmentation part      161.0122171 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1827
  3.1563  2.5627  1.5649  1.5649  1.0647  1.0647  0.9297  0.9297  0.8188  0.8188
  0.7053  0.4676  0.4676  0.4426

  free energy =  -0.441440267736E+04  energy without entropy=  -0.441442567678E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    6(  16)  ---------------------------------------



 eigenvalue-minimisations  :  2992
 total energy-change (2. order) :-0.1242433E-03  (-0.2740506E-05)
 number of electron    2497.9999943 magnetization 
 augmentation part      161.0117031 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2143
  3.6787  2.5797  1.6403  1.6403  1.0652  1.0652  1.0341  1.0341  0.8425  0.8425
  0.7072  0.7072  0.4676  0.4676  0.4427

  free energy =  -0.441440280160E+04  energy without entropy=  -0.441442546348E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    6(  17)  ---------------------------------------



 eigenvalue-minimisations  :  2432
 total energy-change (2. order) :-0.9305493E-04  (-0.8185298E-06)
 number of electron    2497.9999943 magnetization 
 augmentation part      161.0115541 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2916
  4.4429  2.5295  2.1556  1.4650  1.4650  1.0790  1.0790  0.9559  0.9559  0.8655
  0.7954  0.7954  0.4676  0.4676  0.4426  0.7036

  free energy =  -0.441440289466E+04  energy without entropy=  -0.441442500266E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    6(  18)  ---------------------------------------



 eigenvalue-minimisations  :  2520
 total energy-change (2. order) :-0.6181313E-04  (-0.1155978E-05)
 number of electron    2497.9999943 magnetization 
 augmentation part      161.0115920 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3194
  4.8636  2.5547  2.3717  1.5437  1.5437  1.0972  1.0972  1.0477  1.0477  0.4676
  0.4676  0.4426  0.8061  0.8061  0.8184  0.7269  0.7269

  free energy =  -0.441440295647E+04  energy without entropy=  -0.441442465030E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    6(  19)  ---------------------------------------



 eigenvalue-minimisations  :  2400
 total energy-change (2. order) :-0.3478653E-04  (-0.7991656E-06)
 number of electron    2497.9999943 magnetization 
 augmentation part      161.0117126 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3355
  5.3531  2.5478  2.5478  1.5872  1.5872  1.1357  1.1357  1.0592  1.0592  0.4676
  0.4676  0.4426  0.8791  0.7024  0.7637  0.7637  0.7698  0.7698

  free energy =  -0.441440299126E+04  energy without entropy=  -0.441442441433E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    6(  20)  ---------------------------------------



 eigenvalue-minimisations  :  2352
 total energy-change (2. order) :-0.1714090E-04  (-0.4078512E-06)
 number of electron    2497.9999943 magnetization 
 augmentation part      161.0116690 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3814
  5.7496  2.6725  2.6725  1.8743  1.3477  1.2195  1.2195  1.0917  1.0917  0.9755
  0.9755  0.4676  0.4676  0.4426  0.9195  0.8068  0.8068  0.7381  0.7071

  free energy =  -0.441440300840E+04  energy without entropy=  -0.441442424390E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    6(  21)  ---------------------------------------



 eigenvalue-minimisations  :  2296
 total energy-change (2. order) :-0.1030238E-04  (-0.2116755E-06)
 number of electron    2497.9999943 magnetization 
 augmentation part      161.0116716 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5126
  7.5561  3.4971  2.6070  2.2075  1.4793  1.4793  1.1119  1.1119  1.0776  1.0776
  0.4676  0.4676  0.4426  0.8640  0.8640  0.8159  0.8159  0.8013  0.8013  0.7060

  free energy =  -0.441440301870E+04  energy without entropy=  -0.441442396513E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    6(  22)  ---------------------------------------



 eigenvalue-minimisations  :  2320
 total energy-change (2. order) :-0.8626957E-06  (-0.2368607E-06)
 number of electron    2497.9999943 magnetization 
 augmentation part      161.0116716 magnetization 

  free energy =  -0.441440301956E+04  energy without entropy=  -0.441442363236E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.9089       2 -56.2185       3 -55.9299       4 -55.6909       5 -55.6938
       6 -56.1367       7 -58.1184       8 -58.2801       9 -56.1476      10 -55.9434
      11 -56.1386      12 -55.7379      13 -55.6813      14 -56.1293      15 -58.5117
      16 -58.2976      17 -56.5347      18 -55.0452      19 -54.6200      20 -55.4571
      21 -55.5996      22 -55.6237      23 -55.5190      24 -55.7007      25 -55.1937
      26 -54.7601      27 -54.9232      28 -55.0901      29 -60.7724      30 -60.7832
      31 -55.8413      32 -56.0363      33 -55.7073      34 -55.3466      35 -55.5106
      36 -55.9451      37 -58.2754      38 -58.3667      39 -55.8684      40 -55.4588
      41 -56.2000      42 -55.4721      43 -55.5765      44 -55.7678      45 -58.3060
      46 -58.2967      47 -56.5085      48 -55.2219      49 -54.6917      50 -55.3855
      51 -55.9611      52 -55.7149      53 -55.4431      54 -56.1012      55 -55.1306
      56 -54.6075      57 -54.8646      58 -56.3295      59 -61.0091      60 -60.9801
      61 -55.9895      62 -56.2082      63 -56.0437      64 -55.8385      65 -55.7864
      66 -55.9935      67 -57.8047      68 -58.4252      69 -55.9290      70 -55.7361
      71 -55.9309      72 -55.5240      73 -55.4239      74 -55.8825      75 -58.3096
      76 -58.1207      77 -56.2884      78 -54.8566      79 -54.3913      80 -55.3688
      81 -55.5210      82 -55.4766      83 -55.4006      84 -55.6269      85 -55.1895
      86 -54.9025      87 -54.9870      88 -56.4234      89 -60.9777      90 -60.8212
      91 -55.6936      92 -55.9195      93 -55.5358      94 -55.2027      95 -55.1757
      96 -55.6881      97 -58.1813      98 -58.1436      99 -55.8101     100 -55.5969
     101 -55.8779     102 -55.3095     103 -55.3145     104 -55.6353     105 -58.0235
     106 -58.1940     107 -56.2385     108 -54.8211     109 -55.0080     110 -54.9998
     111 -55.7711     112 -55.5000     113 -55.8383     114 -56.0064     115 -55.5626
     116 -54.9732     117 -55.1762     118 -56.5589     119 -61.1915     120 -60.7100
     121 -55.8552     122 -55.9326     123 -55.7070     124 -55.6015     125 -55.6205
     126 -56.0034     127 -58.1511     128 -58.2153     129 -56.0194     130 -55.7228
     131 -55.9852     132 -55.5975     133 -55.5808     134 -55.8906     135 -58.2258
     136 -58.2492     137 -56.3764     138 -55.2097     139 -54.5728     140 -55.4077
     141 -55.7604     142 -55.8186     143 -55.5888     144 -55.5504     145 -55.4683
     146 -55.6411     147 -56.0390     148 -56.2020     149 -61.2038     150 -61.0281
     151 -55.6104     152 -55.6748     153 -55.4339     154 -55.2915     155 -55.3131
     156 -55.7145     157 -57.9781     158 -57.9808     159 -55.7051     160 -55.3993
     161 -55.7591     162 -55.3105     163 -55.3569     164 -55.5374     165 -58.2254
     166 -58.0457     167 -56.3635     168 -55.1657     169 -54.6207     170 -55.5326
     171 -55.8704     172 -55.8011     173 -55.8940     174 -55.6339     175 -54.9789
     176 -54.6396     177 -54.7283     178 -56.0183     179 -60.7710     180 -61.0790
     181 -55.7856     182 -55.7685     183 -55.4468     184 -55.3061     185 -55.1025
     186 -55.8253     187 -57.9062     188 -57.9949     189 -55.8698     190 -55.5454
     191 -55.7576     192 -55.4291     193 -55.4007     194 -55.7312     195 -57.9791
     196 -58.1557     197 -56.0235     198 -54.6271     199 -54.2847     200 -54.9778
     201 -55.5474     202 -55.2880     203 -55.2751     204 -55.3054     205 -54.8622
     206 -54.6822     207 -54.6599     208 -56.0290     209 -60.9144     210 -60.6308
     211 -55.7971     212 -56.0342     213 -55.5812     214 -55.5043     215 -55.4277
     216 -55.9301     217 -58.1510     218 -58.2762     219 -55.9705     220 -55.6394
     221 -55.8926     222 -55.5091     223 -55.4341     224 -55.7847     225 -58.0629
     226 -58.2828     227 -56.1688     228 -54.8389     229 -54.5949     230 -55.0449
     231 -55.6006     232 -55.5842     233 -55.8828     234 -55.4672     235 -55.0734
     236 -54.6367     237 -54.9299     238 -56.2398     239 -60.9011     240 -60.7109
     241 -55.8190     242 -55.8332     243 -55.6905     244 -55.4945     245 -55.5091
     246 -55.8315     247 -58.1838     248 -58.0347     249 -56.0315     250 -55.7506
     251 -56.0818     252 -55.5901     253 -55.6393     254 -55.8714     255 -58.2690
     256 -58.0128     257 -56.4148     258 -55.6432     259 -55.1222     260 -55.5249
     261 -55.5060     262 -56.0745     263 -55.6513     264 -55.8503     265 -55.4727
     266 -54.9663     267 -56.6779     268 -56.5591     269 -60.9486     270 -60.7661
     271 -55.8413     272 -55.8662     273 -55.5462     274 -55.6423     275 -55.5523
     276 -55.8611     277 -58.2646     278 -58.0694     279 -55.5010     280 -55.6465
     281 -56.0634     282 -55.1896     283 -55.0919     284 -55.5088     285 -58.2870
     286 -57.8785     287 -56.2957     288 -55.2163     289 -54.4010     290 -55.7173
     291 -55.5554     292 -55.7462     293 -55.3654     294 -55.7749     295 -54.9256
     296 -54.3880     297 -54.5995     298 -56.1123     299 -60.8316     300 -60.9425
     301 -55.7689     302 -55.9711     303 -55.6952     304 -55.4533     305 -55.4625
     306 -55.8972     307 -58.1340     308 -58.4183     309 -55.9172     310 -55.5887
     311 -55.8296     312 -55.5159     313 -55.5091     314 -55.8010     315 -58.0929
     316 -58.0018     317 -56.0243     318 -54.7893     319 -54.3797     320 -54.9488
     321 -55.3601     322 -55.2880     323 -55.1835     324 -55.3795     325 -54.8262
     326 -55.0112     327 -54.9440     328 -56.2431     329 -60.6481     330 -60.4785
     331 -55.5615     332 -55.4912     333 -55.1727     334 -55.1082     335 -55.0720
     336 -55.4168     337 -58.0010     338 -57.9796     339 -55.2913     340 -54.9783
     341 -55.2131     342 -54.9463     343 -55.0036     344 -55.1332     345 -57.7988
     346 -57.5801     347 -55.8902     348 -54.5696     349 -54.2227     350 -55.0018
     351 -55.4334     352 -55.1971     353 -55.2555     354 -55.4062     355 -54.9245
     356 -54.2324     357 -54.6703     358 -56.0099     359 -60.5488     360 -60.6226
     361 -38.9438     362 -38.7678     363 -38.7432     364 -38.9537     365 -38.6986
     366 -38.6610     367 -38.7040     368 -38.3973     369 -38.4766     370 -38.4123
     371 -38.6761     372 -38.1431     373 -38.8459     374 -38.6673     375 -38.5191
     376 -38.8800     377 -38.4825     378 -38.5798     379 -38.7743     380 -38.3027
     381 -38.6097     382 -38.3050     383 -38.6612     384 -38.1034     385 -39.0261
     386 -38.7938     387 -38.7114     388 -38.6754     389 -38.5199     390 -38.5008
     391 -38.8567     392 -37.9260     393 -38.4479     394 -38.4874     395 -38.7251
     396 -38.4139     397 -38.5686     398 -38.2769     399 -38.2035     400 -38.6626
     401 -38.1417     402 -38.5310     403 -38.8459     404 -38.0384     405 -38.1718
     406 -38.5595     407 -38.4079     408 -38.1132     409 -38.6210     410 -38.6432
     411 -38.6517     412 -38.6529     413 -38.6395     414 -38.5859     415 -39.4408
     416 -38.6864     417 -38.3513     418 -38.5417     419 -39.1588     420 -38.8798
     421 -38.3747     422 -38.2261     423 -38.2273     424 -38.5209     425 -38.2482
     426 -38.7951     427 -38.6029     428 -38.1176     429 -38.6877     430 -38.2266
     431 -38.6099     432 -37.8809     433 -38.1397     434 -38.3221     435 -38.4047
     436 -38.4120     437 -38.4483     438 -38.5441     439 -38.8738     440 -37.9494
     441 -38.0764     442 -38.2761     443 -38.1830     444 -37.8015     445 -38.3591
     446 -38.5379     447 -38.3354     448 -38.3893     449 -38.3709     450 -38.3644
     451 -38.6488     452 -37.7857     453 -38.0389     454 -38.2269     455 -38.2845
     456 -37.8595     457 -38.7970     458 -38.4764     459 -38.5180     460 -38.8718
     461 -38.6835     462 -38.7234     463 -40.8936     464 -38.9105     465 -38.4905
     466 -38.4785     467 -38.8168     468 -39.1142     469 -38.7904     470 -38.7632
     471 -38.4380     472 -38.7731     473 -38.1804     474 -38.2851     475 -38.8327
     476 -38.2365     477 -38.9231     478 -38.1699     479 -38.4815     480 -37.7497
     481 -38.6954     482 -38.4935     483 -38.4432     484 -38.5850     485 -38.4672
     486 -38.5290     487 -38.6693     488 -38.1585     489 -37.9709     490 -38.1493
     491 -38.4541     492 -38.2711     493 -38.4204     494 -38.0697     495 -38.0386
     496 -38.2623     497 -37.8718     498 -38.0701     499 -38.2810     500 -37.6368
     501 -38.1395     502 -38.0532     503 -38.2336     504 -37.6952     505 -38.2404
     506 -40.0284     507 -71.0584     508 -71.3309     509 -71.1803     510 -71.4161
     511 -71.4016     512 -70.9223     513 -71.1878     514 -71.0514     515 -70.9848
     516 -71.1111     517 -70.7462     518 -70.8563     519 -70.9742     520 -70.9311
     521 -71.3037     522 -70.8789     523 -71.1122     524 -71.1840     525 -71.0300
     526 -71.3395     527 -71.1650     528 -70.8891     529 -70.6987     530 -70.4228
     531 -76.8747     532 -76.6952     533 -76.8443     534 -77.1651     535 -76.9173
     536 -77.1629     537 -76.4684     538 -77.1196     539 -77.3218     540 -76.7997
     541 -76.7055     542 -76.9458     543 -76.2815     544 -76.9869     545 -76.6730
     546 -76.8697     547 -77.0422     548 -77.1303     549 -77.3177     550 -77.1067
     551 -76.8180     552 -76.7740     553 -76.8748     554 -77.5194     555 -76.7612
     556 -76.9204     557 -77.0216     558 -76.8627     559 -76.8119     560 -76.8583
     561 -77.1666     562 -76.9813     563 -76.3327     564 -76.8394     565 -77.2781
     566 -77.2973     567 -76.6929     568 -76.6219     569 -76.3898     570 -77.6024
     571 -77.0754     572 -76.9683     573 -76.8799     574 -76.9784     575 -76.7901
     576 -76.3910     577 -76.3458     578 -77.0725     579 -83.4598     580 -82.0691
     581 -83.1229     582 -82.9464     583 -82.4153     584 -82.3481     585 -82.6507
     586 -82.6112     587 -83.0407     588 -83.1382     589 -83.5622     590 -81.6798
     591 -83.4841     592 -82.2698     593 -82.8337     594 -82.9526     595 -82.0963
     596 -84.4944     597 -82.5769     598 -82.4957     599 -82.8456     600 -82.8552
     601 -83.2676     602 -82.3634     603 -83.4852     604 -82.5002     605 -83.4321
     606 -82.5818     607 -82.8031     608 -85.4158     609 -83.1721     610 -82.8434
     611 -83.1290     612 -82.9064     613 -82.6410     614 -82.0208     615 -82.2685
     616 -83.3739     617 -82.5954     618 -84.3231     619 -81.9883     620 -83.4740
     621 -82.3361     622 -83.0353     623 -83.1905     624 -83.3261     625 -83.0410
     626 -82.6644     627 -81.9718     628 -82.7949     629 -83.8523     630 -83.0648
     631 -83.7679     632 -83.3735     633 -82.6594     634 -82.9648     635 -83.3110
     636 -82.8526     637 -81.6019     638 -83.7171     639 -81.9883     640 -82.8081
     641 -82.4614     642 -82.3171     643 -83.8449     644 -82.6825     645 -82.2370
     646 -82.8024     647 -82.7366     648 -82.7195     649 -82.0292     650 -82.1162
 
 
 
 E-fermi :  -0.4728     XC(G=0):  -6.3331     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -32.7480      2.00000
      2     -31.4932      2.00000
      3     -31.2069      2.00000
      4     -30.6504      2.00000
      5     -30.1582      2.00000
      6     -29.9736      2.00000
      7     -29.8667      2.00000
      8     -29.7047      2.00000
      9     -29.5973      2.00000
     10     -29.5249      2.00000
     11     -29.4201      2.00000
     12     -29.4059      2.00000
     13     -29.3112      2.00000
     14     -29.1096      2.00000
     15     -28.9860      2.00000
     16     -28.9652      2.00000
     17     -28.7786      2.00000
     18     -28.7190      2.00000
     19     -28.6858      2.00000
     20     -28.5460      2.00000
     21     -28.5178      2.00000
     22     -28.4767      2.00000
     23     -28.4541      2.00000
     24     -28.3618      2.00000
     25     -28.0280      2.00000
     26     -27.9494      2.00000
     27     -27.9122      2.00000
     28     -27.8893      2.00000
     29     -27.7967      2.00000
     30     -27.7144      2.00000
     31     -27.7062      2.00000
     32     -27.6458      2.00000
     33     -27.5076      2.00000
     34     -27.4769      2.00000
     35     -27.4625      2.00000
     36     -27.4451      2.00000
     37     -27.3646      2.00000
     38     -27.2319      2.00000
     39     -27.2185      2.00000
     40     -27.2072      2.00000
     41     -27.0340      2.00000
     42     -26.9130      2.00000
     43     -26.9081      2.00000
     44     -26.8833      2.00000
     45     -26.8293      2.00000
     46     -26.8251      2.00000
     47     -26.7154      2.00000
     48     -26.7094      2.00000
     49     -26.6535      2.00000
     50     -26.6524      2.00000
     51     -26.6298      2.00000
     52     -26.6205      2.00000
     53     -26.6166      2.00000
     54     -26.5925      2.00000
     55     -26.5814      2.00000
     56     -26.5135      2.00000
     57     -26.4747      2.00000
     58     -26.4530      2.00000
     59     -26.3761      2.00000
     60     -26.3591      2.00000
     61     -26.3021      2.00000
     62     -26.2989      2.00000
     63     -26.2937      2.00000
     64     -26.2666      2.00000
     65     -26.2655      2.00000
     66     -26.2120      2.00000
     67     -26.1151      2.00000
     68     -26.0135      2.00000
     69     -25.9480      2.00000
     70     -25.8488      2.00000
     71     -25.5776      2.00000
     72     -25.5603      2.00000
     73     -24.4885      2.00000
     74     -24.2765      2.00000
     75     -24.0504      2.00000
     76     -23.3183      2.00000
     77     -23.2626      2.00000
     78     -23.1562      2.00000
     79     -23.1509      2.00000
     80     -23.1286      2.00000
     81     -23.1072      2.00000
     82     -23.0418      2.00000
     83     -22.9717      2.00000
     84     -22.9527      2.00000
     85     -22.9469      2.00000
     86     -22.9040      2.00000
     87     -22.8458      2.00000
     88     -22.8273      2.00000
     89     -22.8059      2.00000
     90     -22.7976      2.00000
     91     -22.7699      2.00000
     92     -22.7464      2.00000
     93     -22.7348      2.00000
     94     -22.7052      2.00000
     95     -22.6706      2.00000
     96     -22.6541      2.00000
     97     -22.6458      2.00000
     98     -22.6418      2.00000
     99     -22.6299      2.00000
    100     -22.6042      2.00000
    101     -22.5857      2.00000
    102     -22.5604      2.00000
    103     -22.5590      2.00000
    104     -22.5470      2.00000
    105     -22.5092      2.00000
    106     -22.5083      2.00000
    107     -22.4657      2.00000
    108     -22.4447      2.00000
    109     -22.4304      2.00000
    110     -22.3926      2.00000
    111     -22.3505      2.00000
    112     -22.1233      2.00000
    113     -22.0506      2.00000
    114     -22.0282      2.00000
    115     -21.9494      2.00000
    116     -21.8212      2.00000
    117     -21.8052      2.00000
    118     -21.6951      2.00000
    119     -21.6709      2.00000
    120     -21.5213      2.00000
    121     -19.9615      2.00000
    122     -19.9281      2.00000
    123     -19.8683      2.00000
    124     -19.7754      2.00000
    125     -19.4849      2.00000
    126     -19.4627      2.00000
    127     -19.3997      2.00000
    128     -19.3742      2.00000
    129     -19.3628      2.00000
    130     -19.3605      2.00000
    131     -19.3257      2.00000
    132     -19.2318      2.00000
    133     -19.1253      2.00000
    134     -19.1120      2.00000
    135     -19.0984      2.00000
    136     -19.0938      2.00000
    137     -19.0921      2.00000
    138     -19.0848      2.00000
    139     -19.0411      2.00000
    140     -18.9010      2.00000
    141     -18.8392      2.00000
    142     -18.8273      2.00000
    143     -18.7732      2.00000
    144     -18.7592      2.00000
    145     -18.5643      2.00000
    146     -18.4658      2.00000
    147     -18.4323      2.00000
    148     -18.3399      2.00000
    149     -18.3368      2.00000
    150     -18.2510      2.00000
    151     -18.2116      2.00000
    152     -18.2023      2.00000
    153     -18.1982      2.00000
    154     -18.1651      2.00000
    155     -18.1553      2.00000
    156     -18.1040      2.00000
    157     -18.0879      2.00000
    158     -18.0628      2.00000
    159     -18.0414      2.00000
    160     -18.0388      2.00000
    161     -17.9984      2.00000
    162     -17.9813      2.00000
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    164     -17.8925      2.00000
    165     -17.8596      2.00000
    166     -17.8328      2.00000
    167     -17.7932      2.00000
    168     -17.7727      2.00000
    169     -17.7244      2.00000
    170     -17.6981      2.00000
    171     -17.6808      2.00000
    172     -17.6695      2.00000
    173     -17.6573      2.00000
    174     -17.6299      2.00000
    175     -17.6089      2.00000
    176     -17.5791      2.00000
    177     -17.5466      2.00000
    178     -17.5303      2.00000
    179     -17.5145      2.00000
    180     -17.4930      2.00000
    181     -17.4328      2.00000
    182     -17.4029      2.00000
    183     -17.3674      2.00000
    184     -17.3539      2.00000
    185     -17.3423      2.00000
    186     -17.2867      2.00000
    187     -17.2773      2.00000
    188     -17.2295      2.00000
    189     -17.1673      2.00000
    190     -17.1158      2.00000
    191     -17.0761      2.00000
    192     -16.9603      2.00000
    193     -16.5690      2.00000
    194     -16.5386      2.00000
    195     -16.4417      2.00000
    196     -16.4017      2.00000
    197     -16.3249      2.00000
    198     -16.2979      2.00000
    199     -16.2653      2.00000
    200     -16.2399      2.00000
    201     -16.2153      2.00000
    202     -16.1746      2.00000
    203     -16.1612      2.00000
    204     -16.1496      2.00000
    205     -16.1409      2.00000
    206     -16.0839      2.00000
    207     -16.0684      2.00000
    208     -16.0510      2.00000
    209     -16.0426      2.00000
    210     -16.0005      2.00000
    211     -15.9617      2.00000
    212     -15.9549      2.00000
    213     -15.9255      2.00000
    214     -15.9075      2.00000
    215     -15.8680      2.00000
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    218     -15.7932      2.00000
    219     -15.7653      2.00000
    220     -15.7466      2.00000
    221     -15.7104      2.00000
    222     -15.6983      2.00000
    223     -15.6859      2.00000
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    225     -15.6617      2.00000
    226     -15.6393      2.00000
    227     -15.6118      2.00000
    228     -15.6087      2.00000
    229     -15.5689      2.00000
    230     -15.5444      2.00000
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    232     -15.4901      2.00000
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    234     -15.4593      2.00000
    235     -15.4526      2.00000
    236     -15.4058      2.00000
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    238     -15.3754      2.00000
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    240     -15.3611      2.00000
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    263     -14.8951      2.00000
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    290     -14.0462      2.00000
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   1486       5.1015      0.00000
   1487       5.1041      0.00000
   1488       5.1273      0.00000
   1489       5.1404      0.00000
   1490       5.1484      0.00000
   1491       5.1626      0.00000
   1492       5.1726      0.00000
   1493       5.1783      0.00000
   1494       5.1848      0.00000
   1495       5.2084      0.00000
   1496       5.2170      0.00000
   1497       5.2290      0.00000
   1498       5.2387      0.00000
   1499       5.2464      0.00000
   1500       5.2653      0.00000
   1501       5.2720      0.00000
   1502       5.2901      0.00000
   1503       5.3001      0.00000
   1504       5.3122      0.00000
   1505       5.3138      0.00000
   1506       5.3234      0.00000
   1507       5.3454      0.00000
   1508       5.3504      0.00000
   1509       5.3542      0.00000
   1510       5.3690      0.00000
   1511       5.3755      0.00000
   1512       5.3970      0.00000
   1513       5.4081      0.00000
   1514       5.4113      0.00000
   1515       5.4236      0.00000
   1516       5.4407      0.00000
   1517       5.4569      0.00000
   1518       5.4701      0.00000
   1519       5.4737      0.00000
   1520       5.4943      0.00000
   1521       5.5063      0.00000
   1522       5.5142      0.00000
   1523       5.5239      0.00000
   1524       5.5263      0.00000
   1525       5.5404      0.00000
   1526       5.5435      0.00000
   1527       5.5529      0.00000
   1528       5.5582      0.00000
   1529       5.5807      0.00000
   1530       5.5970      0.00000
   1531       5.6109      0.00000
   1532       5.6162      0.00000
   1533       5.6248      0.00000
   1534       5.6372      0.00000
   1535       5.6502      0.00000
   1536       5.6609      0.00000
   1537       5.6735      0.00000
   1538       5.6897      0.00000
   1539       5.6916      0.00000
   1540       5.6988      0.00000
   1541       5.7116      0.00000
   1542       5.7186      0.00000
   1543       5.7362      0.00000
   1544       5.7417      0.00000
   1545       5.7540      0.00000
   1546       5.7625      0.00000
   1547       5.7650      0.00000
   1548       5.7814      0.00000
   1549       5.7903      0.00000
   1550       5.7947      0.00000
   1551       5.8124      0.00000
   1552       5.8142      0.00000
   1553       5.8250      0.00000
   1554       5.8343      0.00000
   1555       5.8366      0.00000
   1556       5.8491      0.00000
   1557       5.8574      0.00000
   1558       5.8617      0.00000
   1559       5.8751      0.00000
   1560       5.8847      0.00000
   1561       5.8988      0.00000
   1562       5.9074      0.00000
   1563       5.9187      0.00000
   1564       5.9246      0.00000
   1565       5.9371      0.00000
   1566       5.9413      0.00000
   1567       5.9583      0.00000
   1568       5.9657      0.00000
   1569       5.9732      0.00000
   1570       5.9847      0.00000
   1571       5.9907      0.00000
   1572       6.0035      0.00000
   1573       6.0053      0.00000
   1574       6.0270      0.00000
   1575       6.0359      0.00000
   1576       6.0451      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.074  13.393  -0.001   0.001  -0.000   0.001  -0.003   0.001
 13.393  17.805  -0.001   0.001  -0.000   0.002  -0.004   0.002
 -0.001  -0.001  -4.228   0.001  -0.001   8.276  -0.001   0.001
  0.001   0.001   0.001  -4.228   0.001  -0.001   8.274  -0.001
 -0.000  -0.000  -0.001   0.001  -4.223   0.001  -0.001   8.269
  0.001   0.002   8.276  -0.001   0.001 -18.329   0.001  -0.002
 -0.003  -0.004  -0.001   8.274  -0.001   0.001 -18.323   0.001
  0.001   0.002   0.001  -0.001   8.269  -0.002   0.001 -18.320
 total augmentation occupancy for first ion, spin component:           1
  7.574  -3.306   0.176   0.088  -0.024   0.022   0.016  -0.005
 -3.306   1.522  -0.098  -0.065   0.010  -0.010  -0.010   0.003
  0.176  -0.098   1.671  -0.048   0.017   0.155  -0.006   0.003
  0.088  -0.065  -0.048   1.749  -0.094  -0.006   0.159  -0.015
 -0.024   0.010   0.017  -0.094   1.213   0.004  -0.015   0.074
  0.022  -0.010   0.155  -0.006   0.004   0.016  -0.001   0.000
  0.016  -0.010  -0.006   0.159  -0.015  -0.001   0.016  -0.002
 -0.005   0.003   0.003  -0.015   0.074   0.000  -0.002   0.005


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -61773.28289124151.73017 50832.24412-13446.87162  4324.04242 35102.42372
  Hartree -7432.58794152426.60031 88713.02757-13701.52042  2392.66096 29765.65845
  E(xc)  -10711.97913-10594.30994-10625.61037     1.90128     7.50038    25.50188
  Local   35929.36891************************ 27122.55446 -6729.75934-64385.57583
  n-local -5813.86715 -5873.33186 -5938.33493     9.86905    12.69710   -34.87435
  augment  1481.94777  1538.28111  1475.92064     5.43421    15.03960    -3.39972
  Kinetic 45641.90025 43162.63015 43690.15322   -25.01861   -69.06464  -565.70425
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      229.3585415   -506.1072934   -114.1132249    -33.6516481    -46.8835206    -95.9701062
  in kB       38.2473727    -84.3974423    -19.0292937     -5.6116817     -7.8182023    -16.0037834
  external PRESSURE =     -21.7264544 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.350E+03 -.117E+03 0.238E+03   0.350E+03 0.118E+03 -.239E+03   0.256E+00 -.186E+00 0.128E+01   0.383E-03 -.157E-03 0.226E-03
   -.313E+03 -.131E+03 0.360E+02   0.315E+03 0.130E+03 -.360E+02   0.197E+00 -.807E+00 -.493E+00   0.429E-03 -.167E-03 0.284E-03
   -.261E+03 -.139E+03 -.454E+01   0.262E+03 0.140E+03 0.669E+01   0.433E+00 -.177E+01 -.180E+01   0.423E-03 -.189E-03 0.254E-03
   -.312E+03 -.107E+03 0.354E+03   0.312E+03 0.106E+03 -.355E+03   0.180E-01 -.818E+00 0.256E+01   0.322E-03 -.152E-03 0.182E-03
   -.264E+03 -.165E+03 0.321E+03   0.264E+03 0.167E+03 -.322E+03   0.807E-01 -.460E+00 0.847E+00   0.260E-03 -.168E-03 0.201E-03
   -.226E+03 -.131E+03 0.176E+03   0.226E+03 0.131E+03 -.176E+03   0.293E+00 -.127E+00 0.201E+00   0.299E-03 -.260E-03 0.194E-03
   -.385E+03 -.140E+03 0.153E+03   0.386E+03 0.145E+03 -.152E+03   -.114E+00 -.368E+01 0.621E+00   0.439E-03 -.232E-03 0.221E-03
   -.301E+03 -.941E+02 -.119E+02   0.303E+03 0.976E+02 0.907E+01   -.715E+00 -.322E+01 0.147E+01   0.513E-03 -.146E-03 0.253E-03
   -.166E+03 -.241E+01 0.210E+03   0.166E+03 0.249E+01 -.210E+03   -.181E+00 0.194E+00 0.424E+00   0.315E-03 -.223E-03 0.126E-03
   -.151E+03 0.917E+02 0.795E+02   0.152E+03 -.931E+02 -.784E+02   0.408E+00 0.180E+01 -.824E+00   0.441E-03 -.370E-03 0.182E-03
   -.176E+03 0.133E+03 0.146E+03   0.176E+03 -.133E+03 -.146E+03   0.121E+01 0.105E+01 0.251E+00   0.544E-03 -.387E-03 -.168E-05
   -.171E+03 0.990E+01 0.346E+03   0.171E+03 -.109E+02 -.347E+03   -.187E+00 0.194E-02 0.983E+00   0.278E-03 -.757E-04 0.267E-04
   -.178E+03 -.224E+02 0.375E+03   0.178E+03 0.238E+02 -.377E+03   -.326E+00 -.167E+00 0.289E+01   0.356E-03 -.762E-06 -.118E-03
   -.205E+03 0.624E+02 0.318E+03   0.206E+03 -.629E+02 -.319E+03   -.290E+00 0.462E+00 0.117E+01   0.480E-03 -.278E-03 -.190E-03
   -.200E+03 0.139E+03 0.286E+03   0.199E+03 -.144E+03 -.287E+03   0.357E+00 0.434E+01 0.140E+01   0.637E-03 0.136E-03 -.109E-03
   -.226E+03 0.155E+03 0.791E+02   0.229E+03 -.158E+03 -.824E+02   0.205E+00 0.317E+01 0.317E+01   0.818E-03 -.242E-03 0.276E-03
   -.203E+03 0.141E+03 0.388E+02   0.204E+03 -.137E+03 -.343E+02   0.197E+00 -.430E+01 -.406E+01   0.843E-03 0.248E-03 0.226E-03
   -.126E+03 0.240E+03 -.179E+03   0.127E+03 -.242E+03 0.179E+03   0.104E+01 0.950E+00 -.308E+01   0.810E-03 0.102E-03 0.339E-03
   -.105E+03 0.171E+03 -.209E+03   0.105E+03 -.171E+03 0.214E+03   0.595E+00 0.120E+01 -.429E+01   0.710E-03 -.909E-05 0.306E-03
   -.200E+03 0.152E+03 0.178E+03   0.202E+03 -.152E+03 -.180E+03   -.725E+00 -.140E+01 0.290E+01   0.866E-03 0.318E-03 -.170E-04
   -.153E+03 0.120E+03 -.962E+01   0.152E+03 -.121E+03 0.116E+02   0.883E+00 0.121E+01 -.986E+00   0.891E-03 0.323E-03 -.144E-03
   -.114E+03 0.612E+02 -.159E+03   0.114E+03 -.620E+02 0.159E+03   0.582E+00 0.513E+00 -.138E+01   0.718E-03 0.147E-03 0.173E-03
   -.116E+03 -.348E+02 -.246E+03   0.117E+03 0.358E+02 0.246E+03   -.192E+00 -.867E+00 0.137E+01   0.634E-03 0.147E-03 0.143E-03
   -.645E+02 -.869E+02 -.323E+03   0.658E+02 0.897E+02 0.322E+03   -.102E+01 -.250E+01 0.959E+00   0.469E-03 0.208E-04 0.187E-03
   -.356E+02 -.151E+03 -.410E+03   0.355E+02 0.152E+03 0.412E+03   0.213E+00 -.943E+00 -.211E+01   0.406E-03 -.453E-04 0.184E-03
   -.183E+03 -.172E+03 -.231E+03   0.185E+03 0.173E+03 0.228E+03   -.145E+01 -.164E+01 0.430E+01   0.741E-03 0.149E-03 -.136E-03
   -.137E+03 -.318E+03 -.255E+03   0.138E+03 0.320E+03 0.255E+03   0.627E-01 -.957E+00 0.815E+00   0.658E-03 0.132E-03 -.142E-03
   -.699E+02 -.267E+03 -.354E+03   0.702E+02 0.268E+03 0.355E+03   -.389E+00 -.106E+01 0.235E+00   0.487E-03 -.691E-07 0.324E-04
   -.470E+02 0.867E+01 -.316E+03   0.518E+02 0.557E+00 0.312E+03   -.520E+01 -.866E+01 0.427E+01   0.423E-03 0.485E-04 0.210E-03
   -.189E+03 0.836E+02 0.196E+02   0.189E+03 -.956E+02 -.140E+02   0.199E+01 0.947E+01 -.455E+01   0.100E-02 0.464E-03 -.152E-03
   -.151E+03 -.511E+02 -.574E+02   0.151E+03 0.514E+02 0.590E+02   0.649E-01 -.148E+00 -.137E+01   -.110E-03 -.384E-04 0.320E-04
   -.992E+02 -.151E+03 0.935E+02   0.985E+02 0.152E+03 -.934E+02   -.137E+00 -.100E+01 -.137E+00   -.157E-03 -.670E-04 -.150E-04
   -.137E+03 -.141E+03 0.139E+03   0.137E+03 0.142E+03 -.140E+03   -.199E+00 -.221E+01 0.573E+00   -.207E-03 -.150E-03 -.352E-05
   -.292E+03 0.558E+01 -.142E+03   0.292E+03 -.743E+01 0.144E+03   0.997E+00 0.129E+01 -.373E+01   -.128E-03 -.774E-04 0.417E-04
   -.295E+03 -.734E+02 -.182E+03   0.295E+03 0.741E+02 0.184E+03   0.303E+00 0.354E-01 -.102E+01   -.162E-03 -.163E-03 -.440E-04
   -.216E+03 -.535E+02 -.352E+02   0.216E+03 0.535E+02 0.357E+02   0.185E+00 -.177E+00 -.335E+00   -.185E-03 -.296E-03 -.464E-04
   -.614E+02 -.887E+02 -.120E+02   0.614E+02 0.962E+02 0.127E+02   -.957E-01 -.390E+01 -.212E+01   -.808E-04 -.829E-04 0.831E-05
   -.301E+01 -.149E+03 0.911E+02   0.647E+00 0.152E+03 -.866E+02   0.949E+00 -.257E+01 -.299E+01   -.155E-03 -.424E-04 0.128E-04
   -.177E+03 0.595E+02 -.508E+02   0.176E+03 -.593E+02 0.514E+02   0.107E-01 0.142E-01 -.500E+00   -.221E-03 -.320E-03 -.188E-04
   -.667E+02 0.843E+02 0.148E+03   0.665E+02 -.853E+02 -.150E+03   -.100E+01 0.228E+01 0.201E+01   -.254E-03 -.280E-03 -.133E-03
   0.194E+02 0.838E+02 0.822E+02   -.217E+02 -.846E+02 -.814E+02   -.468E-01 0.194E+01 -.241E+00   -.355E-03 -.245E-03 0.743E-04
   -.202E+03 0.875E+02 -.245E+03   0.202E+03 -.890E+02 0.246E+03   0.227E+00 0.651E+00 -.968E+00   -.257E-03 -.221E-03 0.737E-04
   -.150E+03 0.397E+02 -.315E+03   0.150E+03 -.390E+02 0.317E+03   0.334E+00 0.114E+01 -.213E+01   -.253E-03 -.375E-04 0.195E-03
   -.402E+02 0.677E+02 -.182E+03   0.397E+02 -.691E+02 0.182E+03   -.161E+00 0.639E+00 -.165E+01   -.279E-03 -.678E-04 0.197E-03
   0.789E+01 0.130E+03 -.106E+03   -.889E+01 -.137E+03 0.104E+03   0.473E+00 0.418E+01 -.344E+00   -.183E-03 0.244E-03 0.214E-03
   0.851E+02 0.811E+02 0.146E+03   -.879E+02 -.842E+02 -.146E+03   0.135E+01 0.368E+01 -.637E+00   -.191E-03 0.224E-03 -.152E-03
   0.104E+03 0.916E+02 0.106E+03   -.104E+03 -.870E+02 -.108E+03   -.172E+01 -.545E+01 0.224E+01   -.391E-04 0.443E-03 -.796E-04
   0.384E+02 0.178E+03 0.297E+03   -.389E+02 -.180E+03 -.299E+03   -.128E+01 0.500E+00 0.340E+01   0.398E-04 0.387E-03 -.683E-04
   -.138E+02 0.180E+03 0.244E+03   0.155E+02 -.179E+03 -.248E+03   -.223E+01 -.381E+00 0.478E+01   0.194E-03 0.249E-03 -.794E-04
   0.121E+03 0.957E+02 -.781E+02   -.122E+03 -.965E+02 0.809E+02   0.370E+00 0.469E+00 -.383E+01   -.603E-04 0.247E-03 -.477E-04
   0.967E+02 0.659E+02 -.190E+02   -.967E+02 -.675E+02 0.160E+02   -.757E+00 0.202E+01 0.230E+01   0.454E-04 0.240E-03 -.460E-04
   0.579E+02 0.677E+02 0.105E+03   -.587E+02 -.676E+02 -.106E+03   -.100E+01 0.173E+00 0.164E+01   0.212E-03 0.245E-03 -.698E-04
   -.106E+03 -.447E+02 0.434E+02   0.105E+03 0.451E+02 -.427E+02   0.925E+00 -.167E+00 -.160E+01   0.351E-03 0.148E-03 -.204E-04
   -.329E+03 -.607E+02 0.142E+03   0.331E+03 0.621E+02 -.139E+03   -.287E+00 -.212E+01 -.284E+01   0.402E-03 0.721E-04 0.574E-04
   -.370E+03 -.116E+03 0.198E+03   0.371E+03 0.117E+03 -.201E+03   0.761E+00 -.844E+00 0.376E+01   0.472E-03 -.255E-04 0.159E-03
   -.116E+03 -.195E+03 -.124E+03   0.116E+03 0.194E+03 0.128E+03   0.554E+00 0.245E+00 -.403E+01   0.371E-03 0.890E-04 -.423E-04
   -.176E+03 -.202E+03 -.184E+03   0.176E+03 0.204E+03 0.186E+03   0.879E+00 -.390E+00 -.336E+01   0.464E-03 -.136E-05 0.166E-04
   -.282E+03 -.115E+03 0.105E+02   0.283E+03 0.111E+03 -.821E+01   0.921E+00 0.580E+01 -.214E+01   0.504E-03 -.606E-04 0.133E-03
   -.272E+03 0.345E+02 0.249E+03   0.266E+03 -.261E+02 -.241E+03   0.524E+01 -.677E+01 -.810E+01   0.411E-03 0.910E-04 0.576E-04
   0.194E+02 -.184E+02 -.130E+03   -.171E+02 0.110E+02 0.123E+03   -.294E+01 0.709E+01 0.821E+01   0.517E-04 0.186E-03 0.463E-05
   -.504E+03 -.867E+02 0.827E+02   0.506E+03 0.884E+02 -.839E+02   0.429E+00 -.916E+00 0.202E+01   0.349E-04 0.471E-04 -.108E-03
   -.487E+03 -.112E+03 -.864E+02   0.489E+03 0.112E+03 0.862E+02   -.205E+00 -.929E+00 -.313E+00   -.360E-04 0.158E-03 0.913E-04
   -.422E+03 -.102E+03 -.117E+03   0.424E+03 0.102E+03 0.119E+03   -.311E+00 -.244E+01 -.209E+01   -.870E-04 0.185E-03 0.240E-03
   -.412E+03 -.731E+02 0.176E+03   0.413E+03 0.724E+02 -.177E+03   0.134E+00 -.127E+01 0.271E+01   -.430E-05 0.838E-04 -.289E-03
   -.343E+03 -.140E+03 0.134E+03   0.343E+03 0.141E+03 -.135E+03   0.176E+00 -.821E+00 0.899E+00   -.152E-04 0.327E-03 -.258E-03
   -.338E+03 -.104E+03 0.296E+02   0.338E+03 0.104E+03 -.301E+02   0.307E+00 -.449E+00 0.525E+00   -.481E-04 0.350E-03 -.219E-04
   -.526E+03 -.751E+02 0.199E+02   0.529E+03 0.782E+02 -.212E+02   -.115E+00 -.465E+01 0.142E+01   0.867E-04 -.898E-04 -.759E-04
   -.493E+03 -.660E+02 -.774E+02   0.495E+03 0.697E+02 0.739E+02   -.472E+00 -.340E+01 0.252E+01   -.844E-04 -.241E-04 0.328E-03
   -.274E+03 0.217E+02 0.504E+02   0.275E+03 -.217E+02 -.509E+02   -.166E+00 0.401E-01 0.204E+00   -.265E-04 0.351E-03 -.387E-04
   -.307E+03 0.107E+03 -.425E+02   0.308E+03 -.109E+03 0.438E+02   0.378E+00 0.174E+01 -.753E+00   -.330E-04 0.185E-03 0.832E-04
   -.324E+03 0.134E+03 0.220E+02   0.324E+03 -.134E+03 -.219E+02   0.700E+00 0.969E+00 -.244E+00   0.120E-04 0.199E-03 0.129E-03
   -.227E+03 0.384E+02 0.141E+03   0.228E+03 -.394E+02 -.142E+03   -.240E+00 -.875E-01 0.878E+00   0.210E-04 0.271E-03 -.188E-03
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   0.913E+03 -.116E+03 -.626E+03   -.923E+03 0.126E+03 0.669E+03   0.977E+01 -.981E+01 -.442E+02   -.192E-03 0.307E-03 0.401E-04
   0.637E+03 -.375E+03 -.258E+03   -.622E+03 0.407E+03 0.241E+03   -.193E+02 -.325E+02 0.195E+02   -.370E-03 0.859E-03 -.882E-03
   0.114E+04 0.100E+03 -.263E+03   -.121E+04 -.103E+03 0.231E+03   0.604E+02 0.287E+01 0.303E+02   -.394E-03 0.543E-03 -.722E-03
   -.542E+03 0.697E+02 -.280E+03   0.575E+03 -.727E+02 0.319E+03   -.326E+02 0.250E+01 -.405E+02   -.408E-03 0.560E-04 0.971E-03
   0.196E+03 0.554E+03 -.165E+03   -.210E+03 -.575E+03 0.185E+03   0.185E+02 0.200E+02 -.676E+01   -.168E-03 0.119E-03 0.119E-02
   -.401E+03 -.139E+02 0.207E+03   0.430E+03 0.762E+01 -.256E+03   -.288E+02 0.667E+01 0.496E+02   -.343E-03 0.575E-03 0.424E-03
   -.452E+03 -.387E+03 0.192E+03   0.471E+03 0.417E+03 -.225E+03   -.179E+02 -.311E+02 0.333E+02   -.531E-03 0.720E-03 -.754E-03
   0.204E+03 -.607E+03 -.198E+03   -.225E+03 0.631E+03 0.215E+03   0.238E+02 -.243E+02 -.184E+02   -.251E-03 0.753E-03 -.796E-03
   -.512E+03 -.185E+03 0.530E+02   0.552E+03 0.168E+03 -.236E+02   -.408E+02 0.189E+02 -.315E+02   -.416E-03 0.576E-03 -.228E-03
   0.105E+04 -.650E+00 -.175E+03   -.110E+04 0.200E+02 0.154E+03   0.483E+02 -.195E+02 0.205E+02   0.529E-03 0.307E-03 -.126E-02
   0.563E+03 0.532E+03 0.108E+03   -.552E+03 -.552E+03 -.138E+03   -.137E+02 0.213E+02 0.290E+02   -.541E-03 0.746E-03 -.169E-02
   0.961E+03 0.329E+03 -.375E+03   -.976E+03 -.374E+03 0.424E+03   0.117E+02 0.431E+02 -.470E+02   -.391E-03 0.711E-03 -.146E-02
   0.578E+03 -.140E+03 -.545E+03   -.599E+03 0.155E+03 0.582E+03   0.201E+02 -.153E+02 -.386E+02   0.199E-02 -.827E-03 -.515E-03
   0.217E+03 -.301E+03 0.485E+02   -.184E+03 0.332E+03 -.666E+02   -.373E+02 -.321E+02 0.186E+02   0.131E-02 -.934E-03 -.693E-03
   0.426E+03 0.117E+03 0.907E+02   -.463E+03 -.118E+03 -.129E+03   0.375E+02 0.166E+01 0.392E+02   0.293E-02 -.514E-03 0.130E-03
   -.376E+03 -.676E+02 -.263E+03   0.416E+03 0.664E+02 0.299E+03   -.391E+02 0.147E+01 -.368E+02   -.831E-03 0.506E-03 -.109E-02
   0.413E+03 0.219E+03 -.167E+03   -.462E+03 -.261E+03 0.189E+03   0.479E+02 0.382E+02 -.211E+02   -.529E-03 0.609E-03 -.174E-02
   -.246E+03 0.660E+02 0.166E+03   0.274E+03 -.864E+02 -.217E+03   -.265E+02 0.201E+02 0.498E+02   -.133E-02 0.264E-03 -.107E-02
   -.371E+03 -.431E+03 0.363E+03   0.391E+03 0.463E+03 -.390E+03   -.189E+02 -.343E+02 0.276E+02   -.131E-02 -.692E-03 -.109E-03
   0.100E+03 -.528E+03 -.115E+03   -.127E+03 0.549E+03 0.141E+03   0.302E+02 -.205E+02 -.281E+02   -.242E-03 -.843E-03 -.961E-03
   -.402E+03 -.125E+03 0.209E+01   0.440E+03 0.106E+03 0.291E+02   -.386E+02 0.199E+02 -.319E+02   -.170E-02 -.286E-03 -.731E-03
   -.918E+01 -.742E+02 0.851E+03   -.169E+02 0.955E+02 -.891E+03   0.267E+02 -.223E+02 0.414E+02   0.134E-02 0.812E-04 0.110E-02
   -.214E+03 0.134E+03 0.685E+03   0.250E+03 -.151E+03 -.703E+03   -.377E+02 0.185E+02 0.169E+02   -.745E-05 -.236E-03 0.187E-02
   0.176E+03 0.359E+03 0.322E+03   -.204E+03 -.386E+03 -.303E+03   0.275E+02 0.294E+02 -.210E+02   0.247E-02 0.444E-04 0.803E-03
 -----------------------------------------------------------------------------------------------
   0.377E+01 0.160E+02 0.643E+02   -.787E-11 0.341E-12 0.296E-11   -.369E+01 -.160E+02 -.643E+02   -.548E-01 0.355E-02 -.106E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.59567      3.14244      1.37712         0.835825      0.290350      0.323954
     12.38089      3.61293      2.72705         1.485364     -1.284481     -0.539717
     12.41971      5.01986      3.00732         1.210770     -0.592747      0.347284
     12.79349      4.11502      0.33786         0.057647     -1.867455      1.287968
     12.84640      5.45295      0.65744         0.226411      0.895915     -0.068788
     12.67936      5.96539      1.97960         0.338986     -0.198995     -0.145282
     12.56432      1.61890      1.23927         1.192068      1.050440      1.168201
     12.14259      2.38581      3.67339         1.194702      0.265779     -1.312702
     12.81698      7.44900      2.20193         0.096166      0.277372      0.132248
     12.67410      8.05465      3.48126         0.546211      0.394715      0.279321
     12.87969      9.44985      3.66510         1.318108      1.031964     -0.387062
     13.13904      8.32006      1.11089        -0.101376     -1.024787     -0.478552
     13.32555      9.68258      1.24046         0.083509      1.274337      1.468913
     13.23197     10.27530      2.53970         0.256823     -0.072552      0.384137
     13.40375     11.78076      2.92090         0.254304     -1.468044      0.115201
     12.81799     10.29123      4.96983         2.564910     -0.217563     -0.058114
     13.30163     12.89222      5.35021         1.830101     -0.761497      0.384070
     13.00054     12.80901      6.75077         1.524364     -1.521185     -2.432945
     13.13631     13.88592      7.53495         1.250091      1.268310      0.154431
     13.66691     14.20647      4.86085         1.251026     -1.155031      0.386466
     13.76145     15.32524      5.68971         0.639392     -0.602505      1.040349
     13.47737     15.19483      7.11368         1.021035     -0.282536     -1.638328
     13.60258     16.31778      8.03286         0.378546      0.175844      1.408621
     13.18397     16.19333      9.40206         0.331719      0.305901     -0.162533
     13.34848     17.26416     10.30340         0.076157     -0.262784     -0.611028
     14.13833     17.59249      7.66615         0.327126     -1.381591      0.805990
     14.28438     18.63411      8.54051         0.560007      0.554113      0.604500
     13.91065     18.47120      9.86280        -0.118252      0.052864      1.001348
     12.56058     14.92497      9.90079        -0.383094      0.569036      0.504432
     14.15614     16.65622      5.09741         2.140367     -2.562459      1.056678
      9.74127      3.80590      4.82513        -0.300219      0.136366      0.219928
     10.00368      4.76379      3.81283        -0.874233     -0.295165      0.035756
     10.08700      6.14672      4.16591        -0.525651     -0.967667     -0.358973
      9.55024      4.21870      6.18763         0.560376     -0.567032     -2.393008
      9.66513      5.54939      6.49145         0.132008      0.772505      0.568752
      9.96558      6.55020      5.51303        -0.230401     -0.137486      0.094006
      9.67509      2.36353      4.33080        -0.131514      3.549901     -1.448495
     10.19317      4.08984      2.41086        -1.410126     -0.266970      1.518177
     10.12450      7.97633      5.91465        -0.228355      0.167617      0.026296
     10.49009      8.93031      4.94033        -1.262523      1.296741      0.279585
     10.62040     10.29298      5.28918        -2.378099      1.139876      0.621729
      9.90810      8.42125      7.25126        -0.028625     -0.901940      0.024393
     10.03697      9.75085      7.62610         0.360823      1.886821     -0.733528
     10.37825     10.74513      6.65322        -0.712021     -0.701411     -0.882245
     10.54697     12.24723      6.80597        -0.524854     -2.103511     -1.792202
     11.05527     11.50429      4.41396        -1.446670      0.644336     -0.742435
     11.23414     14.08526      4.96533        -1.806332     -0.855505      0.152354
     11.65638     14.43231      3.65275        -1.782407     -1.353342      0.982560
     11.91392     15.73189      3.34928        -0.521250      0.650045      0.548324
     11.10616     15.12157      5.92722        -0.819230     -0.357250     -1.102562
     11.29018     16.45958      5.55846        -0.708252      0.411879     -0.655708
     11.70311     16.80420      4.21285        -1.763604      0.270991      1.010599
     11.96363     18.22612      3.83914         0.323799      0.243892     -0.881335
     12.37919     18.60894      2.54698         2.004620     -0.796768     -0.320483
     12.40065     19.95003      2.14154         1.593661      0.419723      0.694746
     11.82793     19.29887      4.74404         0.166651     -1.095930     -0.106250
     11.93147     20.60540      4.43941         0.774765      1.831930     -1.578711
     12.20526     20.97268      3.09436         1.112682      1.787260      0.135012
     12.68353     17.48916      1.40785        -1.238954      1.619157      0.019556
     11.04303     17.52876      6.62564        -0.681276     -0.311385      0.496982
      9.77674      7.13272     14.52261         2.206267      0.798826      0.851237
      9.60885      7.63197     15.89128         1.969797     -0.608075     -0.541825
      9.75412      9.06824     16.18263         1.360536     -1.891661     -0.207385
     10.00206      8.15245     13.47861         0.774037     -1.973229      1.509773
     10.12218      9.49703     13.81051         0.498117      0.205374     -0.015970
      9.99345      9.99873     15.15855         0.643854      0.194193      0.008817
      9.58202      5.70628     14.46337         2.841420     -1.598946      0.142124
      9.35371      6.45476     16.84584         2.476224      0.239692     -1.014188
     10.14166     11.47490     15.45948         0.266007      0.070918     -0.218395
     10.02169     12.01745     16.76441         0.791858      0.406099      0.573417
     10.16940     13.42017     17.01164         1.217224      0.767593     -0.188801
     10.43952     12.39851     14.39937        -0.073683     -1.031769     -0.469129
     10.59307     13.75117     14.59065        -0.082399      1.058866      1.633636
     10.44294     14.28819     15.91159         0.437510      0.033767      0.294401
     10.49956     15.79462     16.29788         0.344368     -2.037031      0.604167
     10.05285     14.22435     18.36877         1.517201      0.315820     -1.644217
     10.28224     16.92645     18.77733         1.162462     -0.885104     -0.830073
     10.07448     16.83941     20.17426         0.429881     -1.327968     -1.952864
     10.02719     17.96361     20.92884        -0.147994      1.221248     -0.758824
     10.45553     18.26059     18.23718         1.209563     -0.790282      0.652291
     10.43109     19.41502     19.04648         0.800979     -0.622451      0.753319
     10.22416     19.29717     20.48016         0.347628     -0.596454     -2.043674
     10.23527     20.44094      0.09676         0.204298      0.514017      1.568773
      9.94512     20.29883      1.50419        -1.382123      1.825054     -0.344792
      9.90351      0.12799      2.36152        -1.070571      1.030704     -1.550245
     10.52488      0.51218     20.95841         0.661898     -0.917924      0.894671
     10.41621      1.63211      0.51112        -1.288337      0.195417      0.913171
     10.09710      1.46925      1.85857        -1.419267      0.569893      1.218066
      9.66603     18.98813      2.10998        -4.982017      3.751394      0.773252
     10.63858     20.75659     18.41153         2.454111     -1.484199     -0.627678
      7.23216      7.56254     17.55661        -1.291769      0.253458      0.260734
      7.49679      8.52253     16.55910        -1.739865     -0.839280     -0.185076
      7.60003      9.90731     16.90001        -1.109104      0.068507     -0.484400
      7.06047      7.99513     18.92340         0.232296     -1.374905     -1.788633
      7.10215      9.32551     19.20462         0.063136      1.487975      0.740379
      7.37967     10.34559     18.22157        -0.408531      0.047041      0.307373
      7.13714      6.09968     17.02176        -1.597874      2.711158     -0.972693
      7.69904      7.79669     15.16607        -1.926049      1.050924     -0.656396
      7.38500     11.81109     18.64019        -0.060925     -0.087798     -0.340301
      7.72205     12.85430     17.72993        -0.995672      0.835813     -0.194299
      7.72644     14.21816     18.13415        -1.636235      1.001084      0.670731
      7.03538     12.19842     19.95811         0.146726     -0.874672      0.274081
      7.00003     13.52277     20.39485         0.798625      1.616821     -1.445422
      7.34172     14.56956     19.48585        -0.380633     -0.366092     -0.431309
      7.37059     16.08349     19.75423         0.203687     -1.491778     -1.798388
      8.09480     15.49667     17.36436        -0.863602      0.350532     -0.048170
      8.03475     18.10434     18.08580        -1.384087     -1.396950     -0.579653
      8.62711     18.50908     16.84343        -2.255038     -2.602813      1.149133
      8.81962     19.80926     16.58129         0.733476      1.284807      2.094524
      7.69332     19.11836     19.00712        -0.700938     -0.972290     -0.308433
      7.86931     20.46907     18.68803        -1.241864      0.593981     -0.746896
      8.39121     20.88526     17.42834        -2.123978     -0.569850     -0.206408
      8.67071      1.07317     17.05905        -0.935895      0.193601     -0.334685
      8.96353      1.42922     15.73626         0.235535     -0.086279     -0.174458
      9.17359      2.77595     15.36152         0.463451      0.603072      1.014629
      8.63950      2.17877     18.00233        -0.048790     -2.394859     -0.100142
      8.82046      3.45610     17.67804         1.052101      2.758731     -1.192621
      9.10458      3.83454     16.32696         1.345033      0.490852     -1.110959
      9.07042      0.39150     14.66298         2.113193      0.528608     -1.529242
      7.45057      0.26330     19.72375        -0.955747     -0.446265      0.025525
      7.05477     10.82318      6.10395        -0.183851      0.268788      0.511258
      6.84909     11.32594      7.44371        -0.007203     -1.016806     -0.886930
      6.97166     12.70728      7.70465        -0.089635     -0.426302      0.052450
      7.40121     11.73945      5.06521        -0.557076     -1.572411      1.159153
      7.52651     13.08739      5.36428         0.102897      0.818737     -0.236004
      7.30290     13.62703      6.65906        -0.054485     -0.137686      0.261106
      6.87630      9.28410      5.99777        -0.195633      2.606093      2.829275
      6.50331     10.14704      8.41738         0.624670      0.126635     -2.310550
      7.42039     15.11229      6.89419        -0.038266      0.147812      0.143581
      7.12306     15.72584      8.14886        -0.060591      0.437538      0.272106
      7.22610     17.12955      8.32476         0.395160      1.143872     -0.595722
      7.82161     15.97109      5.82811        -0.169688     -0.933139     -0.356362
      7.92888     17.33965      5.95709        -0.734244      1.362071      1.418753
      7.66419     17.95661      7.22492        -0.526950     -0.244756      0.429198
      7.78574     19.46563      7.60502        -0.872823     -2.418072      1.203997
      6.95959     18.00328      9.59139         1.671101      0.317975     -2.490852
      7.28243     20.66495      9.98916         1.076130     -0.968337     -0.770373
      6.80096     20.61714     11.32713         1.867203     -2.300340     -2.397409
      6.75538      0.46058     12.07307         0.085793      1.519300     -0.057116
      7.71131      0.68952      9.54186         0.175419     -0.884531     -0.011938
      7.67899      1.83025     10.37112         0.392173     -0.404584      0.845232
      7.22718      1.74665     11.74326         0.860826      0.134561     -1.816923
      7.26294      2.88889     12.67504         0.160975     -0.514353      1.316709
      6.86813      2.77159     14.06406         0.528116      2.280714     -0.140163
      6.93887      3.87812     14.94447        -0.656174      0.622310     -0.726046
      7.68973      4.16910     12.29087         0.775438      0.132170      1.890299
      7.76919      5.32244     13.16633        -0.912356     -1.591387      1.370476
      7.33028      5.16888     14.52880        -1.529380      1.401219     -0.086788
      6.38188      1.50012     14.59836        -4.747590      9.716453      4.259175
      8.15439      3.12745      9.81935         1.230644     -1.040847      0.530441
      4.04058     11.48849     10.79256        -0.227489      0.106575     -0.715579
      3.74085     12.41128      9.71943         0.128079     -1.056450      0.366035
      3.82371     13.80597      9.95589        -0.024765     -0.511688     -0.242064
      4.37397     12.00017     12.08210        -0.303422     -1.155618     -1.323717
      4.42597     13.37203     12.28302         0.100433      0.920434      0.304500
      4.17818     14.32179     11.24411        -0.111826     -0.330867     -0.046156
      3.94267      9.99154     10.33750        -0.748578      2.270722     -0.646245
      3.34971     11.63474      8.39166         0.711459     -0.541383      2.630096
      4.28259     15.80232     11.50525        -0.086120      0.036844     -0.265171
      4.17766     16.73145     10.43663        -0.324273      1.121240      0.258037
      4.34624     18.12953     10.66603        -1.015437      0.381182      0.912182
      4.52607     16.31618     12.81268         0.357248     -0.789985     -0.061642
      4.67965     17.66967     13.06788         0.489895      1.343019     -1.653310
      4.56753     18.61564     12.00575        -0.636172     -1.417268     -1.521705
      4.70687     20.10180     12.04823        -2.426814     -6.214334     -7.565263
      4.35891     19.29350      9.63010        -0.275564      0.051919      2.721833
      4.76103      0.68730     10.07555        -0.858693     -1.111680      0.384858
      5.00799      1.00458      8.71463        -0.823740     -1.795260      1.299288
      5.30075      2.28883      8.35656        -0.464661      0.188895      0.067443
      4.75866      1.77095     11.00570        -0.674852     -0.414073     -0.694909
      4.99296      3.10268     10.60761        -0.964253     -0.070365     -0.871469
      5.30597      3.36501      9.21987        -0.198184      1.080497      1.245065
      5.75179      4.79499      8.73451         1.001813      0.512131      1.821275
      6.09662      5.08094      7.45620         1.894388     -0.070624     -1.690690
      6.36575      6.41637      7.04171         0.909980      0.534372      0.350363
      5.72393      5.96771      9.66239         0.354650     -4.448865      0.000340
      5.90856      7.19064      9.28906         1.853834      4.335607     -2.072617
      6.25806      7.48676      7.91679         0.737361      1.604132     -0.070822
      6.18991      3.94635      6.39172         0.174630      0.255302     -0.446751
      4.87717      4.17195     11.66243        -1.123177     -0.350111      0.499165
      1.50279     14.33467      0.54462        -0.983547      1.061042      1.377338
      1.94974     14.77828      1.85879        -0.911121     -1.379317     -0.578982
      1.80126     16.16421      2.19487        -0.215276     -0.105829      0.910785
      0.92183     15.34699     20.89127        -0.879057     -3.128130      1.880917
      0.90074     16.63637     21.22600        -0.641654      2.001886      0.725719
      1.28107     17.13864      1.26502        -0.310080     -0.192621      0.107575
      1.67494     12.88039      0.32658        -1.208831     -0.770676      0.620285
      2.54071     13.51131      2.63809        -1.154602      0.985030     -1.393679
      1.09615     18.63562      1.48558         0.087144     -0.283304      0.642006
      1.44965     19.29451      2.70618        -0.287748      0.399155      0.106524
      1.34425     20.70603      2.82158        -0.483042      0.527168      0.048339
      0.56842     19.46884      0.43961        -0.221372     -1.102448     -0.611895
      0.42280     20.83303      0.51804         0.482677      1.126153      2.561563
      0.83973      0.23029      1.74089        -0.983157     -0.619058     -0.471184
      0.82831      1.74335      1.99976         0.240186     -2.324702      1.767073
      1.72722      0.36538      4.02393        -0.996558      0.060037     -2.322222
      1.58374      3.01609      4.17332        -0.066769     -1.188034     -0.222878
      2.14183      2.95528      5.47731        -1.088289     -0.289493     -2.236332
      2.35325      4.12262      6.13384        -0.913049      0.200707     -0.647464
      1.24675      4.28459      3.63168        -0.295059     -0.359695      0.690819
      1.50601      5.47031      4.34145        -0.315952     -0.765682      0.807187
      2.13789      5.41707      5.64539        -1.267638      0.079807     -1.220761
      2.46644      6.59596      6.43806        -0.890237      1.565251      1.130017
      3.06532      6.49897      7.69793        -0.956927      1.493387     -0.460671
      3.37953      7.64823      8.47112        -0.824812      0.780785     -0.798388
      2.26251      7.98479      5.98689        -1.718341     -2.305378     -0.099260
      2.63155      9.07593      6.65564         0.531420      2.093570      2.144105
      3.16132      8.95679      7.97596         0.543824      0.673041      1.389119
      3.32294      5.18615      8.29808        -5.126681      1.919714     -4.288112
      1.05136      6.76494      3.73663        -1.797369     -0.996780      0.470026
      4.61508     14.02448      0.76795        -0.105116      0.348023     -0.101557
      3.80199     14.98610      0.04833         1.195021     -1.440625     -0.404318
      3.84124     16.36879      0.42533         0.443510      0.319357     -0.935722
      5.45544     14.51236      1.84442        -1.139877     -1.450691     -1.307251
      5.45107     15.84861      2.17800         0.174224      1.358823      0.633046
      4.66539     16.84930      1.49562         0.174590      0.101312     -0.056096
      4.48708     12.55408      0.23166        -0.464237      2.060669     -0.152301
      2.97003     14.21366     20.20359         1.681879      0.585626     -0.905224
      4.76015     18.35168      1.93477         0.031333     -0.193262     -0.104674
      4.03893     19.42908      1.31147        -0.101447      0.066249     -0.628059
      4.14410     20.77372      1.75339         0.918175      1.188357      0.866583
      5.61752     18.73154      3.02508         0.020542     -1.199282     -0.160546
      5.76626     20.03444      3.47923        -0.856364      1.768129     -0.566117
      5.02819     21.09438      2.85453        -0.341881     -0.203023     -0.463429
      5.06441      1.36076      3.21655        -1.681246     -1.990790     -2.405583
      3.44092      0.84863      1.23279         2.319116     -0.564162      1.381240
      3.68695      3.46790      2.15745         0.724457     -1.193178     -0.479832
      2.85463      4.02917      1.13890         1.278188     -1.835904      0.864559
      2.64807      5.38924      1.10259        -1.252081     -2.052118      1.560685
      4.20655      4.36865      3.13010         0.308606     -0.652750     -0.271934
      3.97892      5.75714      3.07356        -0.229443      0.125225     -1.845356
      3.23935      6.32884      1.94965         2.227756      0.642743      1.661074
      3.09727      7.91309      1.80673         1.939763      0.801328     -0.413359
      2.35425      8.48130      0.78182         0.189532      1.700155      1.068123
      2.16136      9.89760      0.70515        -0.580378      0.221190      0.402583
      3.59914      8.93877      2.82811         1.053375     -4.978983     -1.505994
      3.34501     10.21077      2.80005        -1.021228      5.275750     -1.034769
      2.60672     10.79559      1.68573        -0.610525      1.134088      0.049842
      1.81340      7.56108     21.03653        -0.934921      1.190401      1.976102
      4.57563      6.64460      4.14023         0.053247     -0.725973     -1.982638
     18.35615     17.30924     13.24212         0.120143     -0.086302      0.480448
     19.49081     17.81893     13.96782        -1.469516     -0.619108      0.806027
     19.64528     19.23543     14.12670        -1.133062     -0.941138      0.949857
     17.42498     18.23276     12.66387         0.700787     -1.601905      0.446247
     17.60963     19.59068     12.84162        -0.291820      0.902648     -0.074778
     18.68395     20.13856     13.60050         0.174916     -0.599974      0.358829
     18.34058     15.74827     13.20467         0.543411      1.854425      0.775245
     20.37685     16.67784     14.43444        -0.511240     -0.405740      0.874083
     18.79773      0.33894     13.85323        -0.088558      0.306139     -0.042052
     19.88125      0.89574     14.58497         0.235193      0.961869      0.484274
     19.93799      2.28385     14.88712        -1.359623      1.035002     -0.131976
     17.77757      1.22043     13.39701        -0.122055     -0.547262     -0.213046
     17.77349      2.57286     13.68685         1.408237      1.047783      1.022539
     18.84752      3.13170     14.44666         0.309504     -0.342113      0.043948
     19.01071      4.58899     14.87324         1.239488     -2.711064      0.592102
     20.92757      3.10907     15.68108        -1.254308      0.026846      2.059595
     20.95884      5.71707     16.33630        -0.159111     -2.172361      2.160419
      1.06480      5.64463     16.90760        -3.491113     -0.917830      0.904009
      1.64983      6.76537     17.41194        -4.553875      1.242138     -3.579061
     20.37380      6.97734     16.37380        -0.903573      0.003464      0.752412
     20.95145      8.12434     17.03812         0.125485     -1.529897      1.057193
      1.01302      8.02444     17.57353        -2.150117      0.625145     -0.081342
      1.64700      9.23716     18.19899         3.646747     -4.034585      1.171794
      2.99299      9.11060     18.95777        -1.307778     -0.614910     -1.398208
      3.47097     10.18273     19.64743         1.463313      0.772109      0.517442
      1.05426     10.35714     18.38831        -1.746647      5.001946      2.856965
      1.68374     11.66452     18.89900         2.135361     -2.966128      2.041196
      2.93205     11.48927     19.60700         1.039242      2.536153     -1.140687
      3.71153      7.81332     18.93971         1.602327      3.263800      1.076319
     20.14725      9.34935     17.10312         2.417478     -0.430909      3.084684
      2.08823     18.11098     14.10046        -0.666690      0.046735     -0.228798
      1.21457     19.09446     13.53383         0.710955     -0.658335     -0.160909
      1.41182     20.47186     13.85226         0.074273     -1.072412     -0.405706
      3.17179     18.52689     14.93336        -1.634627     -0.934240     -0.175789
      3.39115     19.87432     15.14499         0.092979      1.202227      0.637848
      2.50469     20.89771     14.65107        -0.186182     -0.384401     -0.031310
      1.64052     16.66456     13.76962         0.137428      1.192238      0.467297
      0.14423     18.46029     12.60867         1.990113     -0.850983     -0.390985
      2.69432      1.09705     14.93642         0.127643     -0.218811      0.188092
      1.78886      2.02700     14.45273         0.700617      2.402018     -0.704952
      1.92931      3.47954     14.78748         1.770533     -0.335964     -1.365346
      3.78355      1.57482     15.74644        -0.848997     -0.987184      1.069071
      3.97514      2.89725     16.06157        -1.388384      1.703566     -0.019041
      3.03695      3.89149     15.58674         0.043949     -0.804886     -1.009511
      3.06789      5.35033     15.81793        -2.445324     -4.069443     -4.095972
      1.03054      4.65197     14.38447         1.383766      0.918187     -2.063035
      1.25799      7.26655     14.97798         2.110504     -1.115996     -1.909441
      0.05421      7.57331     14.34800         1.214892     -0.833457     -0.599513
     20.86642      8.87954     14.29728         1.324567     -0.110576     -0.103086
      1.95417      8.32001     15.65139         0.109357     -0.077372     -1.969684
      1.52499      9.66428     15.54181         0.180000     -0.718645     -2.332257
      0.30307      9.95340     14.79281         2.227742      1.041352     -0.518383
     21.02819     11.36977     14.68097        -0.384430     -0.135674     -0.193217
     19.76252     11.62565     14.11800        -1.328759     -0.268107      0.760166
     19.32139     12.93780     13.86426         0.153062      0.484825      1.408981
      0.48312     12.50308     15.14401        -0.696137     -0.430596     -0.826509
      0.06615     13.78393     14.96439        -1.586940      1.112197      0.033225
     20.10742     14.03741     14.28393        -1.043218      1.113566      0.703368
     18.80931     10.46057     13.60160         0.821045      2.631021     -2.417989
      2.35121     10.68124     16.16662         0.694912      0.532861     -1.091678
     16.21709      0.42012      5.08104        -0.216985      0.238849      0.470635
     17.14366      0.94657      6.05029        -1.241430     -0.814330     -0.143226
     17.15705      2.33611      6.33671        -0.538653     -0.928184      0.287324
     15.26735      1.29968      4.47782         1.340985     -1.519120      0.726396
     15.31987      2.65359      4.77455        -0.389536      0.761565     -0.204576
     16.25066      3.22188      5.67463         0.127595     -0.016942      0.262024
     16.39224     20.16705      4.84385         0.685593      1.674891      1.521092
     18.02657     21.06804      6.59914        -2.241385     -0.231266      1.326800
     16.27103      4.70259      5.93517         0.063256      0.285178      0.179304
     17.18591      5.29182      6.86152        -0.153777      0.618410      0.186943
     17.17761      6.68701      7.11165        -0.696235      1.016767     -0.347503
     15.36557      5.58217      5.26506        -0.174750     -1.024736     -0.349434
     15.33327      6.94774      5.48131         0.984332      1.432822      1.153753
     16.23967      7.54154      6.41843         0.431578     -0.350278      0.301481
     16.38013      9.04355      6.82441         1.313308     -2.531744      0.719646
     18.05223      7.51201      8.09951        -3.027455      0.595622     -1.480487
     18.08291     10.15922      8.59522        -1.359946     -0.720986     -0.330903
     19.12495     10.03459      9.52549        -2.386975     -1.143931     -0.421598
     19.61683     11.12638     10.17283        -0.807423      0.973368     -0.025355
     17.57887     11.47966      8.36833        -0.054599     -0.800526      0.172145
     18.08431     12.59101      9.05337         0.097487     -0.121691      0.864523
     19.15926     12.44855     10.02458        -1.826082     -0.217455     -0.987898
     19.72423     13.58236     10.75190         0.468812      0.088586      1.229264
     20.85656     13.41749     11.62726         0.621282      2.532475     -0.044893
      0.22232     14.50336     12.24638        -0.383170      0.611484     -1.735847
     19.23500     14.89696     10.67085         0.190919      0.126136      1.982959
     19.83930     16.03684     11.31871        -0.514943     -1.080181      0.265497
     20.99501     15.83663     12.04778         1.997418      1.107790      0.248760
      0.19347     12.09719     11.91053         3.033678      4.738916     -0.167188
     17.49537     13.95258      8.75579        -1.109860     -1.237118      0.095031
     20.10682      1.23321      6.26086         1.089288      0.153094     -0.801128
     19.56956      2.28181      5.49170         0.779655      0.557662     -0.144204
     19.76570      3.63953      5.93396         0.065314     -1.397370     -0.700355
     20.80204      1.50901      7.50115        -0.446073     -1.471926     -1.905859
     20.94661      2.79558      7.89612         0.292866      1.664348      0.767827
     20.44960      3.91247      7.12572         0.143688     -0.179960      0.206586
     19.79895     21.09535      5.61468         2.335463      1.734128     -1.710547
     18.81479      1.79131      4.21290         2.251756     -1.223999      2.219907
     20.65767      5.31982      7.56581        -0.149019      0.670865     -0.302478
     20.20828      6.37249      6.71632         0.733489      0.933349      0.330249
     20.40057      7.73026      7.07626         1.043007      0.205632      0.154964
      0.02418      5.68211      8.79302        -0.320659     -0.978693      0.212937
      0.24568      6.99566      9.17481        -0.359094      1.972974     -0.911859
     21.04509      8.05838      8.32336         0.062338     -1.015268     -1.780355
     21.10584      9.56491      8.51539        -3.929011     -7.128687    -10.333454
     19.95149      8.99720      6.30002         1.280494     -0.212552      1.822108
     20.18813     11.58602      6.96320         0.415345     -1.200792      0.048109
     19.39420     11.97766      5.85353         1.052519     -1.330109      1.169433
     19.09170     13.30108      5.66643         0.437885      0.275846      0.483673
     20.71980     12.63108      7.79302         0.299288     -0.895643     -0.733712
     20.46041     13.97615      7.53683         0.184557      0.397982     -1.353098
     19.55446     14.35887      6.44918         1.823717      0.079925      0.614071
     19.11961     15.77553      6.24631        -0.247099      0.126416     -1.193112
     18.23243     16.11701      5.17909         0.237073      0.271159      0.047598
     17.73703     17.43633      5.04803         0.781301      0.349834      0.323934
     19.49353     16.85754      7.10133        -0.222564     -1.307171     -0.625491
     19.04653     18.12231      6.98751        -1.952934      1.648731     -0.810539
     18.10763     18.46003      5.95220        -0.457837      0.583509      0.018446
     17.79271     15.10031      4.13674         0.126883      0.677209     -0.007984
     21.11804     15.03959      8.39754         0.933693     -0.414127     -0.849438
     12.18729      5.33853      4.03434         0.682201     -0.140293     -0.397496
     12.90073      3.73480     20.58657         0.105512      0.150563     -0.304699
     13.02627      6.17533     21.09621        -0.141698     -0.562869      0.361339
     12.38941      7.45831      4.36787         0.344305      0.166733     -0.448353
     13.25741      7.86302      0.09966        -0.080884      0.573707      0.720942
     13.55230     10.34820      0.40285         0.012498     -0.257088     -0.080626
     12.93452     13.74336      8.57238         1.084646     -1.231957     -1.799423
     12.67874     11.84357      7.12966         0.484292     -0.039768      0.304813
     13.86216     14.29303      3.79979         0.491621      0.001816      0.071006
     13.03411     17.13660     11.33349        -0.037249      0.057040      0.172879
     14.38671     17.74414      6.63565         0.288252      0.805206      2.220547
     14.69801     19.59367      8.18858        -0.123895     -0.296721      0.105495
     10.24412      6.85729      3.34810        -0.058365     -0.046340      0.215677
      9.32558      3.45039      6.89274         0.122589     -0.130044      0.299151
      9.50920      5.85398      7.54656         0.155321     -0.170317     -0.583072
     10.72750      8.65644      3.91830        -0.615982      0.034343      0.074443
      9.60841      7.67440      8.02009         0.213765      0.597894     -0.440177
      9.88554     10.10994      8.65147        -0.078848     -0.321548     -0.067490
     12.28423     15.94435      2.36839        -0.145538     -1.551890      1.723207
     11.79828     13.63932      2.92065        -0.093773      0.238789     -0.063117
     10.86622     14.86177      6.93221        -0.451704      0.006074      0.501315
     12.55843     20.20402      1.09923         0.278947     -0.007753      0.051161
     11.64606     19.04879      5.77748         0.833941      1.690727     -1.788892
     11.81297      0.12158      5.18506        -0.031017      0.069464      0.229755
      9.60825      9.35330     17.22520         0.766708     -0.009217     -0.171871
     10.09278      7.75395     12.47147         0.041471      0.320363     -0.255287
     10.30803     10.22184     12.98797        -0.165293     -0.573551      0.468423
      9.78319     11.37710     17.63655         0.310804      0.256530     -0.493585
     10.56067     11.99969     13.36811        -0.051124      0.355889      0.641463
     10.83638     14.45314     13.79832        -0.023888     -0.081984     -0.301908
      9.84465     17.83780      0.71162        -0.197827     -1.428102     -3.097829
      9.96159     15.84407     20.62169         0.018907      0.322738      0.003689
     10.59183     18.36183     17.16649         0.796369     -0.083754      0.281902
      9.76122     -0.00410      3.41072        -0.428948     -0.150146      0.439106
     10.72249      0.68483     19.90956         1.083684      0.793438      2.692139
     10.63732      2.61992      0.13000        -0.343563      0.085244     -0.296621
      7.87683     10.61114     16.09071        -0.564322     -0.281865      0.507990
      6.89893      7.21069     19.66399         0.014201      0.247177      0.123410
      6.89616      9.65296     20.24930         0.281667     -0.342127     -0.651169
      8.02641     12.63749     16.69691        -0.773994      0.073754      0.392106
      6.74764     11.41722     20.70009         0.353550      0.672791     -0.621076
      6.72178     13.83218      0.13633         0.255479     -0.343945      0.002026
      9.34994     20.08749     15.66765         2.650297     -2.493696      3.804184
      8.95523     17.73892     16.14653        -0.115249      0.244006     -0.037696
      7.26543     18.84460     19.95716        -0.126129     -0.056076      0.313755
      9.38775      3.02883     14.33886         0.283094      0.014545     -0.304332
      8.43364      1.90938     19.05215         1.253540      1.561721     -1.441103
      8.77924      4.25057     18.42733         0.141101     -0.358504      0.032449
      6.81040     13.05205      8.73724         0.051812     -0.055468     -0.303682
      7.54625     11.32339      4.07021         0.108575      0.199298     -0.196716
      7.82537     13.77501      4.54253        -0.253793     -0.547986      0.471716
      6.80909     15.12340      9.01535         0.065751      0.133939     -0.278550
      8.06328     15.51290      4.84266        -0.140669      0.464929      0.642380
      8.21888     17.99745      5.13772        -0.100298     -0.312060     -0.087718
      6.31854      0.35763     13.09392        -0.609149     -1.056385     -5.459350
      6.40026     19.62996     11.67728         1.266026      0.709270     -0.072034
      8.09011      0.77657      8.52357        -0.068940      0.070143      0.035406
      6.67573      3.74110     15.98692        -0.168353     -0.042168     -0.099687
      7.96211      4.36038     11.26531         0.190492      0.687817      2.459477
      8.03033      6.28904     12.78021        -0.466539      0.419284     -0.447157
      3.59917     14.48651      9.11852         0.038748     -0.250568      0.287749
      4.57417     11.27136     12.87579         0.010380      0.263978      0.019857
      4.67063     13.75465     13.30152        -0.135929     -0.385135     -0.705361
      3.98505     16.41640      9.41039         0.056641     -0.076357      0.020289
      4.59553     15.61058     13.66411         0.034021      0.467817     -0.493777
      4.85798     18.07955     14.05511         0.701226     -0.401857     -0.374823
      5.52500      2.46756      7.31708        -0.928717     -1.454526      1.700525
      4.95094      0.19723      7.97519         0.112867      0.233544      0.031867
      4.57002      1.55663     12.04530        -0.323006      0.093126      0.120085
      6.65929      6.59450      6.01771         0.381441      0.083862      0.291711
      5.41154      5.73743     10.69267         0.448537      1.919054     -2.572375
      5.81070      8.02327      9.98750         0.082348     -0.203996      0.016797
      2.10759     16.48224      3.22364        -0.225279     -0.213712     -0.774480
      0.59797     14.93096     19.94521        -1.109184      0.494188      0.391286
      0.54491     17.34859     20.46192         0.066438     -0.434601      0.336898
      1.81542     18.73426      3.58194        -0.065980      0.108851     -0.330932
      0.24540     18.99706     20.74588         0.192778      0.346151      0.616201
      0.02694      0.21189     21.00099        -0.122260     -0.065898     -0.466346
      2.75242      4.00996      7.10942        -2.055197     -1.392257     -2.235210
      2.35793      1.98953      5.90191         0.123689     -0.155177      0.343374
      0.80606      4.32451      2.64769        -0.256691      0.089074     -0.052664
      3.80046      7.52233      9.44476        -0.218007      0.034403      0.462402
      1.86545      8.08494      4.95612         0.967340      1.158230      2.821930
      2.50663     10.07728      6.23494        -0.065752     -0.134883     -0.059648
      3.18033     17.07358     21.12266         0.924163     -0.554453      0.294339
      6.07725     13.75452      2.34885        -0.148810      0.435549      0.095138
      6.09931     16.18074      3.03239        -0.519741     -0.402334     -0.798511
      3.35792     19.22880      0.45007         0.606168      0.103303      0.573894
      6.20941     17.93497      3.54231        -0.479310      0.714546     -0.386475
      6.42198     20.32435      4.30506         0.068322     -0.316033     -0.001265
      2.00310      5.76725      0.30269        -0.508268     -3.856715      2.735505
      2.37872      3.34210      0.41835         0.206371      0.600609      0.207162
      4.80842      3.96463      3.94411        -0.172845      0.095408     -0.216037
      1.65679     10.28863     21.08268        -0.340370     -0.220365      0.559229
      4.10290      8.47150      3.69489        -0.813526      2.629085     -1.906657
      3.73228     10.90424      3.57452        -0.267714     -0.432188     -0.235342
     20.54267     19.59157     14.64488        -0.526787     -0.069818      0.142630
     16.58764     17.80569     12.10022         0.030194      0.276449     -0.003816
     16.88582     20.29784     12.37109         0.429990     -0.676664      0.318676
     20.71048      0.27854     14.94532        -0.333292      0.009894      0.068557
     16.94874      0.81616     12.78850         0.333906      0.243562      0.355567
     16.98782      3.24842     13.36989        -0.284516      0.009726     -0.195908
      2.73427      6.67655     17.65109        -0.892932     -0.027870     -6.763389
      1.57297      4.66991     16.85406        -0.369724      0.145431      1.008324
     19.39361      7.09879     15.90785         0.009595     -0.050324      0.233631
      4.36789     10.07560     20.24685         0.116212     -0.195882      0.086693
      0.11640     10.58568     17.89066         1.568276      0.188983      2.477735
      1.26928     12.59943     18.64463        -0.281229      0.796970     -0.512418
      0.68007     21.18091     13.45962         0.283913     -0.057493     -0.166717
      3.81418     17.72747     15.33604        -0.456576      0.514597      0.420881
      4.29447     20.19149     15.72446        -0.770352     -0.337633     -0.348174
      0.90502      1.77830     13.85526         0.396209     -0.038759      0.011397
      4.55798      0.84279     16.07554        -1.467748      0.625587      0.292116
      4.80264      3.27646     16.66099        -0.017333     -0.330475      0.099079
     19.94063      9.04800     13.81310         1.720196     -1.464195      0.343399
     20.74486      6.77884     13.86841         0.053199      0.091305     -0.184409
      2.83670      8.09791     16.22376         0.565404      0.151389     -0.660204
     18.39088     13.11678     13.35690        -0.347118     -0.027127     -0.147662
      1.42833     12.34443     15.63723        -1.393425      1.684187     -1.758898
      0.65172     14.62953     15.30861         0.095126     -0.122911      0.101646
     17.89411      2.69623      7.05794        -0.493605     -0.041228      0.099050
     14.53538      0.84713      3.81754        -0.123172      0.212013     -0.234371
     14.58562      3.31695      4.26815         0.497083     -0.470991      0.338180
     17.92407      4.68165      7.39511        -0.275898      0.114017     -0.051502
     14.65091      5.14084      4.53031         0.508915      0.454724      0.512036
     14.64615      7.62902      4.97146         0.012588     -0.305074     -0.075697
     20.41904     10.95815     10.86616        -1.533808     -1.112745     -2.474611
     19.56915      9.03590      9.68515        -0.788526      0.542095      0.422568
     16.78052     11.59726      7.64664        -0.102867      0.167983     -0.097981
      1.06447     14.35116     12.88885         0.396524     -0.122725      0.021862
     18.40202     15.10332      9.99568         1.343852      0.581187      2.264821
     19.43690     17.02560     11.12827         0.143694      0.020330     -0.185088
     19.35042      4.41372      5.29347         0.044100      0.087817      0.030108
     21.15999      0.63748      8.06431         0.056803      0.381069      0.011405
      0.22954      3.01321      8.84711        -0.457142     -0.242391     -0.678808
     19.70320      6.16794      5.77778         0.076651      0.010520     -0.100550
      0.37674      4.86745      9.46749        -0.620683      0.846713     -0.355510
      0.74649      7.28297     10.10574        -0.077957     -0.290580     -0.013617
     18.47115     13.53479      4.82962         0.821861     -1.657998      1.308767
     19.03550     11.20623      5.17429        -0.123739      0.113249     -0.037544
      0.07878     12.34908      8.63618         0.239616      0.100483     -0.083890
     17.04078     17.66844      4.25984         0.049315      0.020788     -0.292099
     20.19072     16.64663      7.89636        -1.623140      1.575455     -1.124390
     19.38794     18.92314      7.64050        -0.085241     -0.378158      0.256776
     14.05457     19.28326     10.58921        -0.108144     -0.130629     -0.136911
     18.63792     20.84270      3.65093         0.865340      1.552188      1.530415
     12.31096      1.19616      2.70503         1.292172     -1.311921      0.760595
     13.21074     11.71963      4.50974         1.898469      0.158031      1.125675
      9.99952      2.59297      2.81555        -0.831996     -0.975798     -1.422143
     10.94838     12.65721      5.36170        -1.196157      0.946602     -1.159105
      9.36951      5.23796     15.88403         1.760212     -1.221683      0.424137
     10.29397     15.69668     17.88263         1.087092      0.860719      1.495017
      7.33981      6.34293     15.50330        -2.159785     -0.356830     -0.472142
      7.83633     16.61784     18.37688        -0.840710      1.148001     -0.481447
      6.52793      8.92839      7.47028        -0.282006     -1.255019      0.433112
      7.33123     19.42339      9.10017         0.101315      1.295362      0.776981
      3.47876     10.15846      8.86053        -0.313553     -1.067723     -0.854470
      4.57049     20.51821     10.55612        -1.194468      1.229232     -1.328985
      2.29439     12.33212      1.54938         0.067122     -1.102485      0.479961
      1.37855      1.75670      3.42613        -0.166650      1.435631      0.657604
      3.48283     12.71600     20.37433         1.531634     -1.212910     -1.577192
      4.03223      1.93213      2.20458         0.001643      1.453578     -0.130810
     19.64142     15.44947     14.02662         0.185206     -0.747694      1.521754
     20.36255      4.50254     15.72021        -1.332539      0.278373      2.316234
      0.44009     16.96713     12.72727        -0.395053     -0.395276     -2.069792
      1.73611      5.82844     15.04142         0.197129      1.089100     -2.814807
     17.53149     19.84306      5.80853        -0.196232     -1.335890      0.675982
     17.53620      8.94844      7.85977         0.226164      1.306877      0.662308
     19.03974      0.30276      4.36317         0.552730     -0.677804     -1.401536
     20.43093     10.11272      7.24742         0.051808      1.305999     -1.505478
     11.90166      2.42526      4.90830         1.544653     -0.719690     -2.361298
     12.73655      0.92197      0.21432         1.442108      1.202115      2.677832
     12.54021      9.88855      6.13375         3.633535      0.979221     -2.164163
     13.75224     12.74700      2.23362        -0.542053     -1.873945      1.600000
     10.40483      4.60195      1.30724        -2.452763     -1.111057      1.398900
      9.42928      1.35763      4.93349        -0.324441     -0.369420     -0.318756
     11.33783     11.47711      3.11827        -3.744877      0.862234      3.076184
     10.36696     12.93772      7.79239        -0.459000     -0.496820     -1.312156
      9.16710      6.50137     18.08550         1.971130     -0.961443     -2.327102
      9.59556      4.92357     13.34285         2.093950      2.366381      4.069786
      9.82724     13.79390     19.50197         1.676149      0.969526     -1.260968
     10.75833     16.76746     15.59758         0.267269     -1.104011      1.329891
      7.93146      8.36666     14.01481        -4.451103     -1.626236      3.409807
      6.91050      5.05787     17.63885        -0.535833      1.599885     -1.381609
      8.49957     15.56407     16.12833        -3.343718      0.410379      2.948536
      7.08311     16.68231     20.78891         0.427284     -0.312183     -1.739955
      6.28147     10.22670      9.62788         0.878487     -0.643968     -1.795979
      6.99710      8.58677      5.01590         0.298743      0.045578      1.087550
      6.56058     17.62277     10.68567         2.068150      0.822117     -1.273981
      8.14549     20.40147      6.90422        -0.591141     -0.711350      1.302088
      3.03304     12.10939      7.30806         0.335625     -1.127049      1.110639
      4.14372      8.97870     11.01116        -0.732567      1.418515     -1.310691
      4.23328     19.21849      8.41591         0.160593      0.610554      0.986099
      4.85560     20.71822     12.99163        -1.036561      3.298252      5.390745
      3.02663     13.45279      3.75850        -0.618785     -0.625055     -1.632884
      1.23628     12.20445     20.54462        -3.827268      1.438833      5.901653
      2.18110      0.04711      5.11858        -0.580443      0.863828     -1.387741
      0.47840      2.66174      1.26253         0.069944     -1.016340      1.358384
      2.15528     14.68716     19.34245         4.958296     -2.601642      0.007799
      5.06006     11.52360      0.63129        -1.157288      1.687195     -0.848713
      2.63728      0.95741      0.31020         2.139220      0.774321      0.909002
      5.74239      1.91263      4.05942        -0.532748     -0.129814     -1.002785
      0.27171     16.77733     15.09451        -4.354324     -0.723753      0.205005
     17.51251     14.98073     12.71272         1.124311      1.028065      1.619707
      0.78407      2.67832     16.20601        -5.506180      1.447833      0.468340
     18.27295      5.52646     14.66014         0.837734     -0.050154      0.466352
     20.51315     19.03877     11.96182         2.356314     -1.168890     -0.434980
      2.17562     15.57978     14.04621        -0.447621      2.011581     -1.244574
     -0.05626      4.65227     13.67959         4.721061      0.445716     -0.048284
      3.83880      6.00079     16.40993         2.138481      1.312539      0.206695
     18.91047     21.17213      7.53260        -5.435676     -1.154573     -0.582517
     15.76210     19.43969      4.07296         1.145765      0.686216      1.043229
     18.89935      7.09844      8.85979        -2.553636      0.653951      1.088028
     15.74151     10.00780      6.42955         0.989091     -0.757062      0.685449
     18.23669      2.45052      3.36810         0.345453     -1.079777      0.168311
     20.15026     19.96305      5.99771         1.200382      2.454516     -3.214332
     19.38371      9.05125      5.20413         0.700928      0.460983      1.591711
      0.32224     10.06741      9.38621         5.816346      4.922996      6.635780
     13.32122     17.62618      5.37543         2.275659      1.169598      0.259421
     15.42094     17.08286      5.64987        -0.217123     -1.178429     -1.774680
     14.30465     16.61778      3.79815         1.426046     -0.127867     -0.639038
     11.91291     15.07536     11.10316         0.696701     -0.582205     -0.795190
     11.54241     14.48855      8.97805        -0.317419      1.402108      3.618762
     13.59262     13.89746     10.06344        -1.834933      1.278641      1.283088
     12.19855     18.28570      7.06284        -3.478503     -0.503666      1.005977
     10.10235     18.50010      6.13109         0.350351     -1.653508      2.037495
     10.55801     17.00535      7.79439         0.015224      0.557607     -0.918262
     12.86472     18.08485      0.20115         0.205250     -0.874152      0.679585
     13.70646     16.73192      1.75082         0.980967      0.227882     -2.122675
     11.51888     16.45516      1.17407         2.162834      1.755060     -2.239770
      9.74174      0.42697     18.81477         3.163578     -0.245115     -0.927649
     11.89966      0.04856     18.72643        -0.222382     -0.427523     -0.723258
     10.61753     20.72176     17.03655         3.597242      0.747782      1.610718
      9.48075     19.00097      3.45443        -1.379490      0.198440      0.089195
      8.50488     18.37420      1.49584        -0.706690      1.016442      2.230493
     10.61090     18.22335      1.90103         0.930197     -3.930711      0.600869
      8.53576      0.79140     20.52077        -4.401858      0.079593     -0.652442
      6.82218      1.37493     19.07620        -1.482852     -2.177204      1.966735
      6.58855     21.01266     20.64817         0.171514      0.517263     -0.475815
      8.91053      0.93633     13.31266         1.806729     -1.931848      2.997501
     10.32228     21.03846     14.61269        -1.033606      0.770047     -0.894429
      8.15235     20.34361     15.05208        -4.166423      3.514174     -7.971594
      7.16584      4.11996      9.90933         4.444597     -0.946814     -0.438115
      9.26314      3.65816     10.57941         0.442117     -1.091816     -2.380700
      8.54235      3.05551      8.53546         0.474724      0.255933      1.211258
      6.34304      1.44831     16.00614         0.059099      0.013469     -0.490791
      5.13103      1.27385     14.14245        -1.410369      1.272197     -0.330581
      6.97489      0.59087     14.16536         6.753182     -8.529967      2.566580
      6.12286      4.95060     11.76921        -4.300066     -0.112893      1.250694
      3.90255      5.15082     11.46143         0.351607     -1.024544      1.826527
      4.61416      3.69911     12.90898         0.113589      0.288844     -0.771191
      6.63237      4.37821      5.18848         0.682918     -0.944393      0.798542
      7.06536      2.94804      6.85200        -0.122090      1.229310     -2.256699
      4.91885      3.23692      6.06996         2.537028      1.222493     -1.512064
      0.33627      7.58557      4.63712        -1.557414     -1.500771     -2.085624
      2.08522      7.53760      3.37491        -3.358670      0.367057      1.479487
      0.32716      6.62802      2.59374        -0.575822     -0.126787      0.870695
      3.81910      5.26519      9.38737        -0.450132      0.618788      6.850046
      2.10748      4.43974      8.55842         0.618596     -0.143354      0.756706
      4.06966      4.44458      7.51491        -0.129919     -0.504390      0.124281
      5.50579      7.53672      3.57784         0.477321     -2.092654      0.512868
      3.65507      7.42390      4.78067         3.663052     -0.854309     -0.661855
      5.07994      5.95816      5.14166         0.083287     -0.346559     -0.475586
      1.28950      8.22738     19.94064        -0.648034     -2.808212      3.215525
      2.93293      6.67949     -0.27390         0.038494      4.357415     -6.175808
      0.72253      6.77869      0.20645        -0.004354      1.171131     -1.196332
     19.86324      9.71328     18.45847        -0.496183     -0.209518     -0.546806
     20.84109     10.51721     16.57397        -4.551062     -0.655119      1.930548
     19.03524      9.28804     16.53915        -3.622388     -0.209692     -0.969810
      4.60907      7.72942     19.99360        -0.384267     -0.471153     -1.623879
      2.68870      6.62883     18.75652         5.002310     -1.034123     12.482125
      4.36430      7.64468     17.77810         1.008175      0.397207      0.781716
      2.87537     11.61455     15.25045         1.530818     -1.276885      0.513778
      1.52706     11.63209     16.96165         3.228716     -0.140228     -1.613595
      3.37882     10.21516     16.94348        -0.104276      1.583682     -2.124468
     17.64526     10.94302     13.11381         0.223780     -0.118686     -0.242197
     19.38005      9.56377     12.50267        -2.707260      1.416881     -0.353860
     18.56404      9.60174     14.50296        -3.168557     -1.319893      1.943203
     16.89366     14.51884      9.94922        -1.144686     -0.929288     -2.167794
     18.45570     14.84062      8.33277        -3.523993     -0.367648      0.517596
     16.54252     13.91073      7.77239         0.301653      0.328799      0.864441
      1.17983     12.06829     12.84865         1.012727      0.316947     -0.376236
     20.53707     11.32522     12.28716        -0.664138     -3.170152      1.174264
      0.76628     11.65197     10.81888         2.351953     -0.301681     -1.398087
      0.43022     16.09129      7.61014         1.721410     -2.129705      1.180939
     20.19470     15.72623      9.23682         3.981516      0.226423     -2.436877
      0.84196     14.53798      9.21530        -0.633422      0.754471     -0.760035
     17.10546     15.66607      3.09169         0.580708     -1.021132      0.848370
     18.97167     14.44462      3.56884        -2.180651      1.775419     -1.133594
     16.92351     14.10158      4.75224        -0.124610      1.862285     -2.008085
 -----------------------------------------------------------------------------------
    total drift:                                0.022362     -0.019469      0.001458


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4414.4030195625 eV

  energy  without entropy=    -4414.4236323584  energy(sigma->0) =    -4414.40989049
 
 d Force = 0.3470481E+01[-0.305E+01, 0.999E+01]  d Energy = 0.3212375E+01 0.258E+00
 d Force = 0.4457053E+03[ 0.399E+03, 0.492E+03]  d Ewald  = 0.4453383E+03 0.367E+00


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    7(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) :-0.2468494E+00  (-0.5058430E+01)
 number of electron    2497.9999916 magnetization 
 augmentation part      161.2793510 magnetization 

  free energy =  -0.441464986806E+04  energy without entropy=  -0.441466590747E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    7(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3728
 total energy-change (2. order) :-0.1652039E+00  (-0.1941933E+00)
 number of electron    2497.9999916 magnetization 
 augmentation part      161.2797621 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7746
  0.7746

  free energy =  -0.441481507198E+04  energy without entropy=  -0.441484363594E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    7(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3896
 total energy-change (2. order) : 0.6013571E-02  (-0.6522886E-02)
 number of electron    2497.9999916 magnetization 
 augmentation part      161.2760404 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.6684
  0.9519  0.3849

  free energy =  -0.441480905841E+04  energy without entropy=  -0.441481085572E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    7(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3904
 total energy-change (2. order) : 0.1467499E-01  (-0.1802052E-02)
 number of electron    2497.9999916 magnetization 
 augmentation part      161.2901779 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0485
  1.8459  1.0178  0.2819

  free energy =  -0.441479438342E+04  energy without entropy=  -0.441482705010E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    7(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) : 0.3774147E-03  (-0.2681498E-02)
 number of electron    2497.9999916 magnetization 
 augmentation part      161.3025915 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9739
  2.1161  0.9680  0.5272  0.2842

  free energy =  -0.441479400600E+04  energy without entropy=  -0.441479615252E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    7(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3768
 total energy-change (2. order) : 0.7433585E-03  (-0.1371163E-02)
 number of electron    2497.9999916 magnetization 
 augmentation part      161.3008482 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9652
  2.2881  0.9231  0.9231  0.2834  0.4084

  free energy =  -0.441479326265E+04  energy without entropy=  -0.441481434584E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    7(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3448
 total energy-change (2. order) : 0.8883583E-04  (-0.1727284E-03)
 number of electron    2497.9999916 magnetization 
 augmentation part      161.2921212 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0061
  2.3286  1.1370  1.1370  0.7372  0.2833  0.4133

  free energy =  -0.441479317381E+04  energy without entropy=  -0.441481270123E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    7(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3736
 total energy-change (2. order) : 0.2905095E-04  (-0.8562995E-04)
 number of electron    2497.9999916 magnetization 
 augmentation part      161.2872072 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9816
  2.3361  1.1804  1.1804  0.7417  0.7417  0.2832  0.4079

  free energy =  -0.441479314476E+04  energy without entropy=  -0.441481183240E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    7(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3632
 total energy-change (2. order) :-0.4737434E-05  (-0.1360470E-04)
 number of electron    2497.9999916 magnetization 
 augmentation part      161.2879435 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0272
  2.3768  1.2151  1.2151  1.0346  1.0346  0.6488  0.2832  0.4095

  free energy =  -0.441479314950E+04  energy without entropy=  -0.441481251989E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    7(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3440
 total energy-change (2. order) :-0.1476033E-04  (-0.6036280E-05)
 number of electron    2497.9999916 magnetization 
 augmentation part      161.2894448 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0329
  2.4539  1.3396  1.3396  1.0285  1.0285  0.2832  0.4089  0.7366  0.6773

  free energy =  -0.441479316426E+04  energy without entropy=  -0.441481230176E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    7(  11)  ---------------------------------------



 eigenvalue-minimisations  :  2432
 total energy-change (2. order) :-0.1665670E-04  (-0.1565908E-05)
 number of electron    2497.9999916 magnetization 
 augmentation part      161.2899231 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0633
  2.5473  1.7682  1.3571  0.9343  0.9343  1.0255  0.2832  0.4089  0.6872  0.6872

  free energy =  -0.441479318091E+04  energy without entropy=  -0.441481251422E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    7(  12)  ---------------------------------------



 eigenvalue-minimisations  :  2248
 total energy-change (2. order) :-0.1450555E-04  (-0.4264313E-06)
 number of electron    2497.9999916 magnetization 
 augmentation part      161.2900461 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1137
  2.7279  2.0340  1.3193  1.1303  1.1303  0.9166  0.8375  0.8375  0.2832  0.4090
  0.6250

  free energy =  -0.441479319542E+04  energy without entropy=  -0.441481265279E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    7(  13)  ---------------------------------------



 eigenvalue-minimisations  :  2280
 total energy-change (2. order) :-0.1601703E-04  (-0.6450761E-06)
 number of electron    2497.9999916 magnetization 
 augmentation part      161.2896103 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1187
  2.8245  2.2061  1.2424  1.2424  0.9887  0.9887  0.9451  0.9451  0.2832  0.4090
  0.6965  0.6525

  free energy =  -0.441479321144E+04  energy without entropy=  -0.441481297113E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    7(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2264
 total energy-change (2. order) :-0.9451120E-05  (-0.4629472E-06)
 number of electron    2497.9999916 magnetization 
 augmentation part      161.2896103 magnetization 

  free energy =  -0.441479322089E+04  energy without entropy=  -0.441481314430E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.8972       2 -56.2029       3 -55.9223       4 -55.6840       5 -55.6864
       6 -56.1322       7 -58.1162       8 -58.2786       9 -56.1481      10 -55.9425
      11 -56.1344      12 -55.7368      13 -55.6838      14 -56.1259      15 -58.5233
      16 -58.3001      17 -56.5192      18 -55.0339      19 -54.6122      20 -55.4452
      21 -55.5833      22 -55.6106      23 -55.5118      24 -55.6888      25 -55.1872
      26 -54.7487      27 -54.9141      28 -55.0817      29 -60.7622      30 -60.7775
      31 -55.8343      32 -56.0281      33 -55.7057      34 -55.3467      35 -55.5080
      36 -55.9435      37 -58.2883      38 -58.3666      39 -55.8705      40 -55.4597
      41 -56.1881      42 -55.4745      43 -55.5781      44 -55.7616      45 -58.3147
      46 -58.2875      47 -56.4972      48 -55.2159      49 -54.6866      50 -55.3810
      51 -55.9534      52 -55.7104      53 -55.4444      54 -56.0852      55 -55.1336
      56 -54.6096      57 -54.8681      58 -56.3246      59 -61.0067      60 -60.9679
      61 -55.9641      62 -56.1820      63 -56.0263      64 -55.8156      65 -55.7665
      66 -55.9748      67 -57.7781      68 -58.4211      69 -55.9168      70 -55.7232
      71 -55.9150      72 -55.5116      73 -55.4154      74 -55.8656      75 -58.3087
      76 -58.1190      77 -56.2669      78 -54.8410      79 -54.3798      80 -55.3513
      81 -55.5015      82 -55.4629      83 -55.3923      84 -55.6088      85 -55.1805
      86 -54.8850      87 -54.9726      88 -56.4050      89 -60.9619      90 -60.7985
      91 -55.6777      92 -55.9021      93 -55.5267      94 -55.1985      95 -55.1715
      96 -55.6821      97 -58.1825      98 -58.1235      99 -55.8043     100 -55.5872
     101 -55.8624     102 -55.3045     103 -55.3081     104 -55.6214     105 -58.0217
     106 -58.1803     107 -56.2207     108 -54.8051     109 -54.9932     110 -54.9845
     111 -55.7560     112 -55.4821     113 -55.8301     114 -55.9968     115 -55.5517
     116 -54.9639     117 -55.1686     118 -56.5444     119 -61.1690     120 -60.6936
     121 -55.8414     122 -55.9184     123 -55.6989     124 -55.5949     125 -55.6133
     126 -55.9964     127 -58.1552     128 -58.2162     129 -56.0103     130 -55.7130
     131 -55.9684     132 -55.5873     133 -55.5701     134 -55.8761     135 -58.2291
     136 -58.2475     137 -56.3546     138 -55.1910     139 -54.5530     140 -55.3930
     141 -55.7398     142 -55.8030     143 -55.5701     144 -55.5175     145 -55.4450
     146 -55.6020     147 -56.0054     148 -56.1688     149 -61.2065     150 -61.0064
     151 -55.5991     152 -55.6623     153 -55.4270     154 -55.2855     155 -55.3073
     156 -55.7088     157 -57.9823     158 -57.9874     159 -55.7013     160 -55.3913
     161 -55.7415     162 -55.3060     163 -55.3523     164 -55.5191     165 -58.2395
     166 -58.0440     167 -56.3449     168 -55.1543     169 -54.6111     170 -55.5203
     171 -55.8562     172 -55.7881     173 -55.8796     174 -55.6238     175 -54.9722
     176 -54.6228     177 -54.7258     178 -56.0071     179 -60.7639     180 -61.0551
     181 -55.7778     182 -55.7673     183 -55.4521     184 -55.3071     185 -55.1062
     186 -55.8294     187 -57.8927     188 -58.0133     189 -55.8694     190 -55.5427
     191 -55.7493     192 -55.4285     193 -55.4003     194 -55.7244     195 -57.9849
     196 -58.1626     197 -56.0062     198 -54.6158     199 -54.2711     200 -54.9658
     201 -55.5304     202 -55.2747     203 -55.2592     204 -55.2785     205 -54.8489
     206 -54.6574     207 -54.6478     208 -56.0118     209 -60.9048     210 -60.6125
     211 -55.7840     212 -56.0255     213 -55.5765     214 -55.5003     215 -55.4227
     216 -55.9261     217 -58.1519     218 -58.2779     219 -55.9630     220 -55.6298
     221 -55.8768     222 -55.5004     223 -55.4275     224 -55.7704     225 -58.0648
     226 -58.2822     227 -56.1524     228 -54.8278     229 -54.5895     230 -55.0322
     231 -55.5854     232 -55.5751     233 -55.8667     234 -55.4564     235 -55.0624
     236 -54.6287     237 -54.9262     238 -56.2297     239 -60.8968     240 -60.7027
     241 -55.8092     242 -55.8222     243 -55.6824     244 -55.4899     245 -55.5043
     246 -55.8278     247 -58.1881     248 -58.0227     249 -56.0331     250 -55.7536
     251 -56.0803     252 -55.5927     253 -55.6423     254 -55.8711     255 -58.2880
     256 -58.0183     257 -56.4120     258 -55.6372     259 -55.1430     260 -55.5232
     261 -55.5006     262 -56.0764     263 -55.6515     264 -55.8417     265 -55.4745
     266 -54.9501     267 -56.6616     268 -56.5369     269 -60.9277     270 -60.7626
     271 -55.8331     272 -55.8560     273 -55.5435     274 -55.6382     275 -55.5472
     276 -55.8590     277 -58.2655     278 -58.0640     279 -55.5019     280 -55.6391
     281 -56.0485     282 -55.1885     283 -55.0934     284 -55.5037     285 -58.3092
     286 -57.8761     287 -56.2865     288 -55.2143     289 -54.4029     290 -55.7163
     291 -55.5496     292 -55.7410     293 -55.3588     294 -55.7600     295 -54.9235
     296 -54.3739     297 -54.5943     298 -56.1041     299 -60.8322     300 -60.9210
     301 -55.7506     302 -55.9531     303 -55.6807     304 -55.4417     305 -55.4510
     306 -55.8852     307 -58.1330     308 -58.4066     309 -55.9051     310 -55.5750
     311 -55.8099     312 -55.5034     313 -55.4975     314 -55.7833     315 -58.0931
     316 -57.9984     317 -56.0085     318 -54.7772     319 -54.3729     320 -54.9403
     321 -55.3478     322 -55.2808     323 -55.1798     324 -55.3623     325 -54.8198
     326 -54.9927     327 -54.9301     328 -56.2260     329 -60.6445     330 -60.4632
     331 -55.5394     332 -55.4715     333 -55.1606     334 -55.0961     335 -55.0588
     336 -55.4048     337 -57.9949     338 -57.9802     339 -55.2788     340 -54.9639
     341 -55.1897     342 -54.9324     343 -54.9910     344 -55.1054     345 -57.8205
     346 -57.5732     347 -55.8738     348 -54.5602     349 -54.2145     350 -54.9934
     351 -55.4198     352 -55.1853     353 -55.2430     354 -55.3920     355 -54.9123
     356 -54.2193     357 -54.6568     358 -55.9918     359 -60.5371     360 -60.6055
     361 -38.9306     362 -38.7648     363 -38.7274     364 -38.9435     365 -38.6871
     366 -38.6667     367 -38.6869     368 -38.3973     369 -38.4768     370 -38.4130
     371 -38.6605     372 -38.1334     373 -38.8418     374 -38.6798     375 -38.5065
     376 -38.8796     377 -38.4745     378 -38.5798     379 -38.7607     380 -38.3073
     381 -38.6187     382 -38.3161     383 -38.6435     384 -38.1177     385 -39.0105
     386 -38.7751     387 -38.6874     388 -38.6559     389 -38.4982     390 -38.4998
     391 -38.8286     392 -37.9178     393 -38.4376     394 -38.5009     395 -38.7003
     396 -38.4126     397 -38.5492     398 -38.2794     399 -38.1906     400 -38.6457
     401 -38.1342     402 -38.5305     403 -38.8357     404 -38.0344     405 -38.1695
     406 -38.5513     407 -38.3798     408 -38.1168     409 -38.6102     410 -38.6415
     411 -38.6348     412 -38.6389     413 -38.6198     414 -38.5772     415 -39.4250
     416 -38.6621     417 -38.3476     418 -38.5345     419 -39.1187     420 -38.8622
     421 -38.3652     422 -38.2224     423 -38.2134     424 -38.5130     425 -38.2419
     426 -38.7915     427 -38.5841     428 -38.1142     429 -38.6843     430 -38.2326
     431 -38.5709     432 -37.8885     433 -38.1322     434 -38.3247     435 -38.4011
     436 -38.4053     437 -38.4369     438 -38.5550     439 -38.8450     440 -37.9566
     441 -38.0803     442 -38.2798     443 -38.1405     444 -37.7982     445 -38.3447
     446 -38.5347     447 -38.3178     448 -38.3698     449 -38.3506     450 -38.3644
     451 -38.6450     452 -37.7870     453 -38.0355     454 -38.2187     455 -38.2539
     456 -37.8579     457 -38.7873     458 -38.4708     459 -38.5047     460 -38.8655
     461 -38.6770     462 -38.7314     463 -41.0539     464 -38.9007     465 -38.4974
     466 -38.4865     467 -38.7730     468 -39.1214     469 -38.7843     470 -38.7586
     471 -38.4246     472 -38.7642     473 -38.1667     474 -38.2902     475 -38.8274
     476 -38.2405     477 -38.9350     478 -38.1814     479 -38.4604     480 -37.7568
     481 -38.6788     482 -38.4883     483 -38.4251     484 -38.5693     485 -38.4473
     486 -38.5210     487 -38.6524     488 -38.1470     489 -37.9727     490 -38.1613
     491 -38.4278     492 -38.2675     493 -38.4099     494 -38.0621     495 -38.0149
     496 -38.2498     497 -37.8463     498 -38.0613     499 -38.2650     500 -37.6401
     501 -38.1423     502 -38.0556     503 -38.2107     504 -37.6926     505 -38.2294
     506 -39.9835     507 -71.0206     508 -71.2941     509 -71.1310     510 -71.3793
     511 -71.3697     512 -70.8712     513 -71.1419     514 -71.0084     515 -70.9401
     516 -71.0654     517 -70.7080     518 -70.8003     519 -70.9417     520 -70.8863
     521 -71.2694     522 -70.8319     523 -71.0763     524 -71.1550     525 -70.9803
     526 -71.2866     527 -71.1247     528 -70.8392     529 -70.6532     530 -70.3667
     531 -76.9175     532 -76.7451     533 -76.8888     534 -77.2434     535 -76.9766
     536 -77.2492     537 -76.4864     538 -77.1855     539 -77.3627     540 -76.7940
     541 -76.7630     542 -77.0148     543 -76.2904     544 -77.0500     545 -76.6887
     546 -76.9210     547 -77.0937     548 -77.1927     549 -77.3615     550 -77.1685
     551 -76.8814     552 -76.8380     553 -76.9289     554 -77.6114     555 -76.8423
     556 -76.9174     557 -77.0862     558 -76.9249     559 -76.8488     560 -76.9102
     561 -77.2211     562 -77.0432     563 -76.3407     564 -76.9040     565 -77.2871
     566 -77.3809     567 -76.7353     568 -76.6895     569 -76.4220     570 -77.7088
     571 -77.0952     572 -77.0193     573 -76.9305     574 -77.0374     575 -76.8511
     576 -76.4422     577 -76.3930     578 -77.1846     579 -83.4817     580 -82.0382
     581 -83.1585     582 -82.9652     583 -82.4064     584 -82.3354     585 -82.6289
     586 -82.6041     587 -83.0552     588 -83.1668     589 -83.6148     590 -81.6297
     591 -83.4808     592 -82.2487     593 -82.8169     594 -82.9500     595 -82.0544
     596 -84.5242     597 -82.5442     598 -82.4815     599 -82.8586     600 -82.8516
     601 -83.2756     602 -82.3390     603 -83.4578     604 -82.4693     605 -83.4497
     606 -82.5584     607 -82.7938     608 -85.4991     609 -83.1127     610 -82.8313
     611 -83.1354     612 -82.9384     613 -82.6489     614 -81.9948     615 -82.2502
     616 -83.3476     617 -82.6013     618 -84.3690     619 -81.9325     620 -83.4787
     621 -82.3335     622 -83.0140     623 -83.2159     624 -83.3355     625 -83.0505
     626 -82.6683     627 -81.9507     628 -82.7522     629 -83.9243     630 -83.0861
     631 -83.8364     632 -83.4169     633 -82.6430     634 -82.8945     635 -83.3279
     636 -82.8793     637 -81.5559     638 -83.7799     639 -81.9687     640 -82.8052
     641 -82.4708     642 -82.3100     643 -83.8755     644 -82.6997     645 -82.2208
     646 -82.7684     647 -82.7484     648 -82.7452     649 -82.0145     650 -82.1041
 
 
 
 E-fermi :  -0.4531     XC(G=0):  -6.3336     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -32.9538      2.00000
      2     -31.6533      2.00000
      3     -31.3362      2.00000
      4     -30.7815      2.00000
      5     -30.2942      2.00000
      6     -30.0791      2.00000
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     10     -29.5981      2.00000
     11     -29.4727      2.00000
     12     -29.4606      2.00000
     13     -29.4105      2.00000
     14     -29.1416      2.00000
     15     -29.0375      2.00000
     16     -28.9882      2.00000
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     18     -28.7505      2.00000
     19     -28.7271      2.00000
     20     -28.6115      2.00000
     21     -28.5559      2.00000
     22     -28.5200      2.00000
     23     -28.4770      2.00000
     24     -28.4051      2.00000
     25     -28.0751      2.00000
     26     -28.0381      2.00000
     27     -27.9542      2.00000
     28     -27.9351      2.00000
     29     -27.8569      2.00000
     30     -27.7376      2.00000
     31     -27.7244      2.00000
     32     -27.6727      2.00000
     33     -27.5421      2.00000
     34     -27.4924      2.00000
     35     -27.4673      2.00000
     36     -27.4586      2.00000
     37     -27.4242      2.00000
     38     -27.2560      2.00000
     39     -27.2246      2.00000
     40     -27.2006      2.00000
     41     -27.0481      2.00000
     42     -26.9202      2.00000
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     44     -26.8755      2.00000
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     46     -26.8412      2.00000
     47     -26.7397      2.00000
     48     -26.7054      2.00000
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     50     -26.6594      2.00000
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   1139      -2.9851      2.00000
   1140      -2.9802      2.00000
   1141      -2.9680      2.00000
   1142      -2.9586      2.00000
   1143      -2.9362      2.00000
   1144      -2.9251      2.00000
   1145      -2.9186      2.00000
   1146      -2.9094      2.00000
   1147      -2.8965      2.00000
   1148      -2.8843      2.00000
   1149      -2.8676      2.00000
   1150      -2.8518      2.00000
   1151      -2.8325      2.00000
   1152      -2.8138      2.00000
   1153      -2.7965      2.00000
   1154      -2.7836      2.00000
   1155      -2.7730      2.00000
   1156      -2.7537      2.00000
   1157      -2.7461      2.00000
   1158      -2.7450      2.00000
   1159      -2.7342      2.00000
   1160      -2.7302      2.00000
   1161      -2.7189      2.00000
   1162      -2.7066      2.00000
   1163      -2.6990      2.00000
   1164      -2.6858      2.00000
   1165      -2.6810      2.00000
   1166      -2.6531      2.00000
   1167      -2.6334      2.00000
   1168      -2.6228      2.00000
   1169      -2.6099      2.00000
   1170      -2.5924      2.00000
   1171      -2.5700      2.00000
   1172      -2.5556      2.00000
   1173      -2.5423      2.00000
   1174      -2.5321      2.00000
   1175      -2.5210      2.00000
   1176      -2.5145      2.00000
   1177      -2.5009      2.00000
   1178      -2.4941      2.00000
   1179      -2.4887      2.00000
   1180      -2.4863      2.00000
   1181      -2.4793      2.00000
   1182      -2.4696      2.00000
   1183      -2.4554      2.00000
   1184      -2.4489      2.00000
   1185      -2.4370      2.00000
   1186      -2.4135      2.00000
   1187      -2.3947      2.00000
   1188      -2.3736      2.00000
   1189      -2.3713      2.00000
   1190      -2.3520      2.00000
   1191      -2.3388      2.00000
   1192      -2.3224      2.00000
   1193      -2.3157      2.00000
   1194      -2.3096      2.00000
   1195      -2.2988      2.00000
   1196      -2.2860      2.00000
   1197      -2.2691      2.00000
   1198      -2.2428      2.00000
   1199      -2.2415      2.00000
   1200      -2.2125      2.00000
   1201      -2.2031      2.00000
   1202      -2.2021      2.00000
   1203      -2.1941      2.00000
   1204      -2.1797      2.00000
   1205      -2.1511      2.00000
   1206      -2.1322      2.00000
   1207      -2.1209      2.00000
   1208      -2.1138      2.00000
   1209      -2.0962      2.00000
   1210      -2.0742      2.00000
   1211      -2.0618      2.00000
   1212      -2.0540      2.00000
   1213      -2.0507      2.00000
   1214      -2.0427      2.00000
   1215      -2.0166      2.00000
   1216      -2.0039      2.00000
   1217      -1.9475      2.00000
   1218      -1.9301      2.00000
   1219      -1.9254      2.00000
   1220      -1.8762      2.00000
   1221      -1.8448      2.00000
   1222      -1.8135      2.00000
   1223      -1.8108      2.00000
   1224      -1.7460      2.00000
   1225      -1.6952      2.00000
   1226      -1.6870      2.00000
   1227      -1.6508      2.00000
   1228      -1.6174      2.00000
   1229      -1.6088      2.00000
   1230      -1.5850      2.00000
   1231      -1.5014      2.00000
   1232      -1.4168      2.00000
   1233      -1.3630      2.00000
   1234      -1.3166      2.00000
   1235      -1.2645      2.00000
   1236      -1.2559      2.00000
   1237      -1.2369      2.00000
   1238      -1.0934      2.00006
   1239      -0.9972      2.00082
   1240      -0.9862      2.00107
   1241      -0.9802      2.00124
   1242      -0.9329      2.00359
   1243      -0.9049      2.00634
   1244      -0.8699      2.01206
   1245      -0.8549      2.01553
   1246      -0.8296      2.02293
   1247      -0.7595      2.05237
   1248      -0.5761      1.85331
   1249      -0.5647      1.80062
   1250      -0.3489      0.23757
   1251      -0.2843     -0.00085
   1252       0.0077     -0.00532
   1253       0.0950     -0.00074
   1254       0.1163     -0.00043
   1255       0.1577     -0.00014
   1256       0.2235     -0.00002
   1257       0.2501     -0.00001
   1258       0.3383     -0.00000
   1259       0.3555     -0.00000
   1260       0.4918     -0.00000
   1261       0.5254     -0.00000
   1262       0.5405     -0.00000
   1263       0.6188     -0.00000
   1264       0.6378     -0.00000
   1265       0.7321     -0.00000
   1266       0.7519     -0.00000
   1267       0.8294     -0.00000
   1268       0.8733     -0.00000
   1269       0.8814     -0.00000
   1270       0.9112     -0.00000
   1271       0.9949     -0.00000
   1272       1.0095     -0.00000
   1273       1.0313     -0.00000
   1274       1.0501     -0.00000
   1275       1.0552     -0.00000
   1276       1.1300     -0.00000
   1277       1.1494     -0.00000
   1278       1.1736     -0.00000
   1279       1.2049     -0.00000
   1280       1.2702     -0.00000
   1281       1.2810     -0.00000
   1282       1.3124     -0.00000
   1283       1.3266     -0.00000
   1284       1.3554     -0.00000
   1285       1.4013     -0.00000
   1286       1.4200     -0.00000
   1287       1.4383     -0.00000
   1288       1.4711     -0.00000
   1289       1.4883     -0.00000
   1290       1.5084     -0.00000
   1291       1.5313     -0.00000
   1292       1.5732     -0.00000
   1293       1.5947     -0.00000
   1294       1.6975     -0.00000
   1295       1.7126     -0.00000
   1296       1.7630     -0.00000
   1297       1.8071     -0.00000
   1298       1.8627     -0.00000
   1299       1.8864     -0.00000
   1300       1.9153     -0.00000
   1301       1.9670     -0.00000
   1302       2.0024     -0.00000
   1303       2.0498     -0.00000
   1304       2.0583     -0.00000
   1305       2.1341     -0.00000
   1306       2.1372     -0.00000
   1307       2.1502     -0.00000
   1308       2.1718     -0.00000
   1309       2.1967     -0.00000
   1310       2.2181     -0.00000
   1311       2.2364     -0.00000
   1312       2.2422     -0.00000
   1313       2.2638     -0.00000
   1314       2.3101     -0.00000
   1315       2.3315     -0.00000
   1316       2.3388     -0.00000
   1317       2.3815     -0.00000
   1318       2.4077     -0.00000
   1319       2.4380     -0.00000
   1320       2.4531     -0.00000
   1321       2.5028     -0.00000
   1322       2.5443     -0.00000
   1323       2.5543     -0.00000
   1324       2.5711     -0.00000
   1325       2.5869     -0.00000
   1326       2.6046     -0.00000
   1327       2.6109     -0.00000
   1328       2.6252     -0.00000
   1329       2.6499     -0.00000
   1330       2.6612     -0.00000
   1331       2.6800     -0.00000
   1332       2.7710     -0.00000
   1333       2.7926     -0.00000
   1334       2.8405     -0.00000
   1335       2.8599     -0.00000
   1336       2.8744     -0.00000
   1337       2.9156     -0.00000
   1338       2.9312     -0.00000
   1339       2.9707     -0.00000
   1340       2.9759     -0.00000
   1341       2.9910     -0.00000
   1342       3.0089     -0.00000
   1343       3.0135     -0.00000
   1344       3.0321     -0.00000
   1345       3.0597     -0.00000
   1346       3.0827     -0.00000
   1347       3.1283     -0.00000
   1348       3.1334     -0.00000
   1349       3.1445     -0.00000
   1350       3.1826     -0.00000
   1351       3.2141     -0.00000
   1352       3.2336     -0.00000
   1353       3.2470     -0.00000
   1354       3.2969     -0.00000
   1355       3.3088     -0.00000
   1356       3.3348     -0.00000
   1357       3.3391     -0.00000
   1358       3.3573     -0.00000
   1359       3.3744     -0.00000
   1360       3.3819     -0.00000
   1361       3.4073     -0.00000
   1362       3.4265     -0.00000
   1363       3.4447     -0.00000
   1364       3.4708     -0.00000
   1365       3.5068     -0.00000
   1366       3.5276     -0.00000
   1367       3.5380     -0.00000
   1368       3.5563     -0.00000
   1369       3.5602     -0.00000
   1370       3.5924     -0.00000
   1371       3.6033     -0.00000
   1372       3.6355     -0.00000
   1373       3.6414     -0.00000
   1374       3.6873     -0.00000
   1375       3.6969     -0.00000
   1376       3.7151     -0.00000
   1377       3.7249     -0.00000
   1378       3.7482     -0.00000
   1379       3.7644     -0.00000
   1380       3.7773     -0.00000
   1381       3.8042     -0.00000
   1382       3.8123     -0.00000
   1383       3.8303     -0.00000
   1384       3.8336     -0.00000
   1385       3.8461     -0.00000
   1386       3.8669     -0.00000
   1387       3.8754     -0.00000
   1388       3.9074     -0.00000
   1389       3.9334     -0.00000
   1390       3.9420     -0.00000
   1391       3.9617     -0.00000
   1392       3.9706     -0.00000
   1393       3.9879     -0.00000
   1394       4.0006     -0.00000
   1395       4.0117     -0.00000
   1396       4.0207     -0.00000
   1397       4.0247     -0.00000
   1398       4.0466     -0.00000
   1399       4.0632     -0.00000
   1400       4.0790     -0.00000
   1401       4.0818     -0.00000
   1402       4.0918     -0.00000
   1403       4.1116     -0.00000
   1404       4.1253     -0.00000
   1405       4.1330     -0.00000
   1406       4.1494     -0.00000
   1407       4.1631     -0.00000
   1408       4.1724     -0.00000
   1409       4.1804     -0.00000
   1410       4.1939     -0.00000
   1411       4.2056     -0.00000
   1412       4.2266     -0.00000
   1413       4.2338     -0.00000
   1414       4.2430     -0.00000
   1415       4.2520     -0.00000
   1416       4.2682     -0.00000
   1417       4.2729     -0.00000
   1418       4.2971     -0.00000
   1419       4.3038     -0.00000
   1420       4.3152     -0.00000
   1421       4.3301     -0.00000
   1422       4.3655     -0.00000
   1423       4.3696     -0.00000
   1424       4.3767     -0.00000
   1425       4.3867     -0.00000
   1426       4.3880     -0.00000
   1427       4.4219     -0.00000
   1428       4.4339     -0.00000
   1429       4.4451     -0.00000
   1430       4.4527     -0.00000
   1431       4.4645     -0.00000
   1432       4.4784     -0.00000
   1433       4.4802     -0.00000
   1434       4.4953     -0.00000
   1435       4.5136     -0.00000
   1436       4.5172     -0.00000
   1437       4.5422     -0.00000
   1438       4.5467     -0.00000
   1439       4.5567     -0.00000
   1440       4.5770     -0.00000
   1441       4.5872     -0.00000
   1442       4.5972     -0.00000
   1443       4.5975     -0.00000
   1444       4.6229     -0.00000
   1445       4.6301     -0.00000
   1446       4.6338     -0.00000
   1447       4.6431     -0.00000
   1448       4.6547     -0.00000
   1449       4.6615     -0.00000
   1450       4.6828     -0.00000
   1451       4.6961     -0.00000
   1452       4.7123     -0.00000
   1453       4.7162     -0.00000
   1454       4.7339     -0.00000
   1455       4.7473     -0.00000
   1456       4.7514     -0.00000
   1457       4.7814     -0.00000
   1458       4.8004     -0.00000
   1459       4.8074     -0.00000
   1460       4.8280     -0.00000
   1461       4.8428     -0.00000
   1462       4.8599     -0.00000
   1463       4.8648     -0.00000
   1464       4.8849      0.00000
   1465       4.8884      0.00000
   1466       4.8996      0.00000
   1467       4.9050      0.00000
   1468       4.9208      0.00000
   1469       4.9319      0.00000
   1470       4.9470      0.00000
   1471       4.9530      0.00000
   1472       4.9652      0.00000
   1473       4.9833      0.00000
   1474       4.9903      0.00000
   1475       4.9984      0.00000
   1476       5.0135      0.00000
   1477       5.0189      0.00000
   1478       5.0352      0.00000
   1479       5.0420      0.00000
   1480       5.0566      0.00000
   1481       5.0647      0.00000
   1482       5.0760      0.00000
   1483       5.0815      0.00000
   1484       5.0995      0.00000
   1485       5.1186      0.00000
   1486       5.1228      0.00000
   1487       5.1232      0.00000
   1488       5.1456      0.00000
   1489       5.1613      0.00000
   1490       5.1655      0.00000
   1491       5.1792      0.00000
   1492       5.1925      0.00000
   1493       5.1989      0.00000
   1494       5.2011      0.00000
   1495       5.2273      0.00000
   1496       5.2355      0.00000
   1497       5.2500      0.00000
   1498       5.2608      0.00000
   1499       5.2715      0.00000
   1500       5.2849      0.00000
   1501       5.2947      0.00000
   1502       5.3091      0.00000
   1503       5.3165      0.00000
   1504       5.3304      0.00000
   1505       5.3356      0.00000
   1506       5.3444      0.00000
   1507       5.3647      0.00000
   1508       5.3678      0.00000
   1509       5.3734      0.00000
   1510       5.3913      0.00000
   1511       5.4024      0.00000
   1512       5.4198      0.00000
   1513       5.4285      0.00000
   1514       5.4365      0.00000
   1515       5.4435      0.00000
   1516       5.4625      0.00000
   1517       5.4747      0.00000
   1518       5.4916      0.00000
   1519       5.4924      0.00000
   1520       5.5172      0.00000
   1521       5.5291      0.00000
   1522       5.5350      0.00000
   1523       5.5402      0.00000
   1524       5.5458      0.00000
   1525       5.5654      0.00000
   1526       5.5688      0.00000
   1527       5.5729      0.00000
   1528       5.5815      0.00000
   1529       5.6059      0.00000
   1530       5.6212      0.00000
   1531       5.6301      0.00000
   1532       5.6435      0.00000
   1533       5.6481      0.00000
   1534       5.6579      0.00000
   1535       5.6688      0.00000
   1536       5.6839      0.00000
   1537       5.6964      0.00000
   1538       5.7121      0.00000
   1539       5.7139      0.00000
   1540       5.7232      0.00000
   1541       5.7349      0.00000
   1542       5.7382      0.00000
   1543       5.7521      0.00000
   1544       5.7713      0.00000
   1545       5.7794      0.00000
   1546       5.7821      0.00000
   1547       5.7862      0.00000
   1548       5.8013      0.00000
   1549       5.8077      0.00000
   1550       5.8174      0.00000
   1551       5.8291      0.00000
   1552       5.8366      0.00000
   1553       5.8398      0.00000
   1554       5.8566      0.00000
   1555       5.8603      0.00000
   1556       5.8659      0.00000
   1557       5.8797      0.00000
   1558       5.8868      0.00000
   1559       5.8947      0.00000
   1560       5.9060      0.00000
   1561       5.9202      0.00000
   1562       5.9290      0.00000
   1563       5.9377      0.00000
   1564       5.9427      0.00000
   1565       5.9513      0.00000
   1566       5.9577      0.00000
   1567       5.9751      0.00000
   1568       5.9819      0.00000
   1569       5.9914      0.00000
   1570       6.0053      0.00000
   1571       6.0147      0.00000
   1572       6.0178      0.00000
   1573       6.0287      0.00000
   1574       6.0419      0.00000
   1575       6.0491      0.00000
   1576       6.0606      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.073  13.392  -0.001   0.001  -0.000   0.001  -0.003   0.001
 13.392  17.804  -0.001   0.001  -0.000   0.002  -0.004   0.002
 -0.001  -0.001  -4.228   0.001  -0.001   8.275  -0.001   0.001
  0.001   0.001   0.001  -4.227   0.001  -0.001   8.273  -0.001
 -0.000  -0.000  -0.001   0.001  -4.222   0.001  -0.001   8.268
  0.001   0.002   8.275  -0.001   0.001 -18.327   0.001  -0.001
 -0.003  -0.004  -0.001   8.273  -0.001   0.001 -18.321   0.001
  0.001   0.002   0.001  -0.001   8.268  -0.001   0.001 -18.319
 total augmentation occupancy for first ion, spin component:           1
  7.546  -3.290   0.169   0.086  -0.025   0.021   0.016  -0.005
 -3.290   1.514  -0.095  -0.064   0.011  -0.009  -0.009   0.003
  0.169  -0.095   1.670  -0.046   0.017   0.155  -0.006   0.003
  0.086  -0.064  -0.046   1.743  -0.093  -0.006   0.158  -0.015
 -0.025   0.011   0.017  -0.093   1.210   0.003  -0.015   0.074
  0.021  -0.009   0.155  -0.006   0.003   0.016  -0.001   0.000
  0.016  -0.009  -0.006   0.158  -0.015  -0.001   0.016  -0.002
 -0.005   0.003   0.003  -0.015   0.074   0.000  -0.002   0.005


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -61711.91327124218.81278 50799.53265-13442.54291  4349.55149 35075.20140
  Hartree -7344.27969152465.27697 88666.09641-13688.89684  2420.57808 29726.32905
  E(xc)  -10716.05731-10598.07429-10629.48070     1.87612     7.48173    25.57753
  Local   35777.92274************************ 27103.77946 -6783.45739-64313.93182
  n-local -5820.08991 -5879.09118 -5947.43220    10.32523    13.53027   -35.64540
  augment  1483.36840  1538.56763  1476.56364     5.46949    14.83756    -3.64463
  Kinetic 45663.89935 43179.29467 43713.16857   -24.84730   -70.13860  -564.74494
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      240.7090366   -484.7112056    -88.3847897    -34.8367409    -47.6168541    -90.8588089
  in kB       40.1401586    -80.8294733    -14.7388711     -5.8093054     -7.9404916    -15.1514337
  external PRESSURE =     -18.4760620 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.350E+03 -.118E+03 0.238E+03   0.350E+03 0.119E+03 -.239E+03   0.242E+00 -.719E-01 0.127E+01   -.201E-04 0.190E-03 -.390E-03
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 -----------------------------------------------------------------------------------------------
   0.532E+01 0.180E+02 0.680E+02   -.287E-10 0.142E-11 -.171E-11   -.536E+01 -.180E+02 -.679E+02   0.539E-01 -.189E-01 -.127E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.59654      3.13931      1.37697         0.823373      0.451445      0.346893
     12.38166      3.61164      2.72915         1.502354     -1.262773     -0.656417
     12.42132      5.02028      3.00680         1.179017     -0.636148      0.388534
     12.79386      4.11590      0.33737         0.044588     -1.978861      1.344857
     12.84641      5.45230      0.65819         0.234735      0.965613     -0.107230
     12.67962      5.96633      1.97995         0.338519     -0.257534     -0.168643
     12.56574      1.61668      1.23647         1.120260      1.402581      1.622336
     12.14294      2.38496      3.67682         1.286450      0.313969     -1.838412
     12.81698      7.44812      2.20148         0.100383      0.336817      0.161088
     12.67474      8.05451      3.48043         0.536420      0.416352      0.331550
     12.88026      9.45039      3.66723         1.339587      1.037481     -0.505238
     13.13885      8.32064      1.11192        -0.097748     -1.100659     -0.546803
     13.32556      9.68164      1.23989         0.089820      1.377673      1.546453
     13.23314     10.27734      2.54015         0.209628     -0.176953      0.375188
     13.40381     11.78403      2.91795         0.139950     -2.023486      0.480941
     12.81931     10.29033      4.97341         2.645870     -0.095323     -0.502430
     13.30364     12.89004      5.34897         1.804352     -0.675353      0.466454
     13.00162     12.80888      6.75156         1.528840     -1.589874     -2.568361
     13.13828     13.88507      7.53304         1.216610      1.373292      0.255550
     13.66830     14.20682      4.86097         1.234377     -1.216518      0.393778
     13.76256     15.32569      5.68893         0.609935     -0.654424      1.120075
     13.47796     15.19610      7.11501         1.029322     -0.377869     -1.777845
     13.60288     16.31605      8.03194         0.381493      0.285478      1.523631
     13.18369     16.19260      9.40245         0.361061      0.356628     -0.186917
     13.34846     17.26430     10.30366         0.081133     -0.277876     -0.648037
     14.13923     17.59267      7.66816         0.292593     -1.449105      0.734726
     14.28459     18.63376      8.54110         0.574741      0.598831      0.599712
     13.91078     18.47112      9.86239        -0.131092      0.058159      1.067393
     12.56029     14.92645      9.90231        -0.356073      0.524003      0.425963
     14.15658     16.65463      5.09591         2.255916     -2.687469      1.271654
      9.74104      3.80357      4.82394        -0.299196      0.256050      0.273779
     10.00308      4.76300      3.81051        -0.877541     -0.270893      0.151148
     10.08651      6.14748      4.16685        -0.521635     -1.032647     -0.420787
      9.55022      4.21928      6.18880         0.580020     -0.615157     -2.525293
      9.66541      5.54929      6.49058         0.123598      0.810159      0.634495
      9.96548      6.55108      5.51321        -0.235254     -0.188638      0.089720
      9.67393      2.35924      4.33328         0.054536      4.446529     -1.931798
     10.19313      4.09154      2.40678        -1.533528     -0.527204      2.167061
     10.12410      7.97553      5.91497        -0.217800      0.217101      0.009846
     10.48839      8.92959      4.94033        -1.229921      1.376433      0.286982
     10.61905     10.29430      5.28719        -2.392086      1.112347      0.727108
      9.90850      8.42184      7.25056        -0.050300     -0.970467      0.059933
     10.03669      9.74987      7.62611         0.384361      2.012887     -0.753739
     10.37744     10.74831      6.65426        -0.703167     -0.890793     -0.955058
     10.54574     12.24911      6.80913        -0.414744     -2.584522     -2.429885
     11.05513     11.50539      4.41134        -1.517775      0.609314     -0.537971
     11.23220     14.08405      4.96519        -1.782663     -0.836295      0.163774
     11.65528     14.43248      3.65234        -1.800354     -1.420869      1.039404
     11.91320     15.73092      3.35089        -0.505924      0.730333      0.490312
     11.10508     15.12166      5.92778        -0.800223     -0.372230     -1.175073
     11.28888     16.45981      5.55859        -0.673396      0.412544     -0.683292
     11.70178     16.80536      4.21159        -1.762972      0.220345      1.106374
     11.96331     18.22528      3.83907         0.350247      0.302277     -0.914769
     12.38234     18.60985      2.54850         1.918502     -0.865445     -0.393752
     12.40211     19.95060      2.14175         1.581096      0.411753      0.709971
     11.82826     19.30057      4.74184         0.152302     -1.233029     -0.008408
     11.93167     20.60553      4.43972         0.795753      1.914118     -1.654604
     12.20636     20.97363      3.09395         1.103183      1.816226      0.155553
     12.68766     17.48931      1.40622        -1.517167      1.706204      0.107807
     11.04169     17.52717      6.62650        -0.632375     -0.235146      0.445766
      9.77916      7.12762     14.52217         2.170583      1.096097      0.913988
      9.60963      7.62955     15.89356         2.006428     -0.515030     -0.661283
      9.75610      9.06945     16.18226         1.320776     -2.008776     -0.185687
     10.00289      8.15364     13.47807         0.763826     -2.094798      1.563852
     10.12263      9.49640     13.81135         0.497948      0.252754     -0.056394
      9.99405      9.99957     15.15870         0.640099      0.159083      0.001362
      9.58436      5.70577     14.46295         2.831833     -1.634508      0.212330
      9.35536      6.45389     16.84944         2.536454      0.286311     -1.526546
     10.14163     11.47396     15.45948         0.278000      0.122916     -0.228163
     10.02265     12.01712     16.76336         0.775911      0.437203      0.650280
     10.17018     13.42073     17.01386         1.225524      0.765388     -0.303902
     10.43936     12.39892     14.40031        -0.069887     -1.097679     -0.532764
     10.59318     13.75036     14.58976        -0.086998      1.144255      1.729290
     10.44380     14.29021     15.91226         0.411817     -0.061188      0.275658
     10.49942     15.79832     16.29493         0.264637     -2.670568      1.015098
     10.05316     14.22315     18.37291         1.634725      0.527799     -2.313512
     10.28340     16.92478     18.77679         1.150850     -0.843656     -0.834841
     10.07475     16.83960     20.17410         0.434858     -1.402790     -2.026597
     10.02701     17.96307     20.92605        -0.139156      1.314111     -0.643059
     10.45671     18.26075     18.23735         1.197874     -0.826473      0.668117
     10.43196     19.41560     19.04594         0.788971     -0.685026      0.808321
     10.22424     19.29882     20.48137         0.355916     -0.731298     -2.202198
     10.23569     20.43894      0.09523         0.194756      0.661384      1.726892
      9.94421     20.29818      1.50441        -1.400229      1.956470     -0.370551
      9.90207      0.12741      2.36210        -1.043296      1.095633     -1.640632
     10.52697      0.51188     20.96094         0.587568     -0.937217      0.805343
     10.41547      1.63263      0.51134        -1.296409      0.176561      0.937130
     10.09565      1.47115      1.85872        -1.404208      0.509835      1.258332
      9.66441     18.99090      2.11172        -5.389048      4.040105      0.735500
     10.64010     20.75485     18.41102         2.501941     -1.496360     -0.616200
      7.23123      7.56085     17.55551        -1.294583      0.349571      0.313417
      7.49477      8.52256     16.55744        -1.707520     -0.870854     -0.108950
      7.59860      9.90774     16.90115        -1.082464      0.050325     -0.563249
      7.06032      7.99635     18.92445         0.244471     -1.502432     -1.895676
      7.10242      9.32489     19.20367         0.053557      1.592712      0.817275
      7.37956     10.34651     18.22152        -0.419751      0.002378      0.324184
      7.13524      6.09629     17.02343        -1.469137      3.363776     -1.305514
      7.69841      7.79744     15.16327        -1.995610      0.977955     -0.399944
      7.38477     11.81022     18.64036        -0.050851     -0.046123     -0.367728
      7.72064     12.85392     17.73034        -0.966131      0.885199     -0.223359
      7.72607     14.21966     18.13199        -1.675689      0.957383      0.793111
      7.03610     12.19880     19.95691         0.114983     -0.923515      0.349406
      7.00002     13.52166     20.39508         0.823939      1.725997     -1.500973
      7.34128     14.57241     19.48643        -0.373342     -0.518488     -0.474944
      7.36960     16.08565     19.75737         0.361884     -1.883506     -2.393763
      8.09479     15.49751     17.36196        -0.949377      0.307559      0.218054
      8.03296     18.10312     18.08630        -1.354812     -1.398739     -0.621389
      8.62595     18.50922     16.84274        -2.289476     -2.744843      1.225895
      8.81809     19.80712     16.58242         0.823445      1.466490      2.108447
      7.69259     19.11799     19.00722        -0.694318     -0.994226     -0.324391
      7.86753     20.46825     18.68755        -1.204765      0.656367     -0.757531
      8.38816     20.88631     17.42728        -2.072150     -0.635484     -0.149496
      8.66983      1.07192     17.05841        -0.925282      0.258276     -0.316160
      8.96399      1.42858     15.73623         0.221819     -0.059206     -0.181798
      9.17426      2.77580     15.36110         0.447475      0.630292      1.069481
      8.64059      2.18126     18.00058        -0.107109     -2.651019     -0.007832
      8.82065      3.45563     17.67822         1.087323      2.938993     -1.258497
      9.10561      3.83625     16.32704         1.349527      0.431161     -1.157722
      9.07275      0.39330     14.66294         2.110610      0.529322     -1.580113
      7.44810      0.26192     19.72396        -0.855698     -0.388894     -0.017491
      7.05438     10.82067      6.10348        -0.172560      0.405270      0.549157
      6.84852     11.32501      7.44571         0.019403     -0.998452     -1.010039
      6.97177     12.70747      7.70412        -0.098514     -0.453243      0.081458
      7.40138     11.74034      5.06480        -0.585109     -1.676972      1.213989
      7.52616     13.08694      5.36519         0.123769      0.875527     -0.289158
      7.30308     13.62784      6.65888        -0.065610     -0.185543      0.279772
      6.87667      9.28134      5.99485        -0.276003      3.178737      3.536458
      6.50266     10.14652      8.42101         0.755740      0.137681     -2.992151
      7.42037     15.11148      6.89393        -0.038671      0.197178      0.162543
      7.12319     15.72576      8.14823        -0.069264      0.458161      0.314424
      7.22550     17.13010      8.32696         0.437137      1.148548     -0.726244
      7.82127     15.97150      5.82906        -0.160376     -0.995006     -0.415875
      7.92850     17.33881      5.95653        -0.741067      1.461378      1.491606
      7.66419     17.95917      7.22532        -0.546795     -0.379358      0.422962
      7.78676     19.46910      7.60296        -1.099761     -3.066544      1.628361
      6.95919     18.00261      9.59478         1.905114      0.501148     -3.182729
      7.28331     20.66355      9.98819         1.075277     -0.938027     -0.756128
      6.80277     20.61806     11.32757         1.853157     -2.471471     -2.527304
      6.75630      0.46049     12.06929         0.052029      1.623118      0.173567
      7.71155      0.68958      9.54192         0.170318     -0.923932     -0.014924
      7.67967      1.83045     10.37059         0.372953     -0.435552      0.903345
      7.22749      1.74848     11.74420         0.877116      0.024771     -1.950363
      7.26338      2.88685     12.67389         0.143658     -0.416767      1.441239
      6.86771      2.77102     14.06425         0.587733      2.437737     -0.151115
      6.93825      3.87836     14.94453        -0.649611      0.641618     -0.758972
      7.69033      4.16760     12.29268         0.775083      0.216703      1.873198
      7.77070      5.32304     13.16725        -1.017678     -1.684529      1.382930
      7.32823      5.17040     14.53015        -1.484260      1.381816     -0.156372
      6.38137      1.50303     14.59889        -5.166556     10.607428      4.688977
      8.15579      3.12506      9.81836         1.205890     -0.975544      0.667840
      4.04043     11.48619     10.79235        -0.226324      0.222002     -0.724043
      3.74026     12.41092      9.71733         0.160655     -1.066297      0.478774
      3.82393     13.80592      9.95645        -0.037199     -0.528552     -0.278860
      4.37408     12.00090     12.08244        -0.319726     -1.242089     -1.387266
      4.42575     13.37166     12.28199         0.114379      0.978487      0.366107
      4.17819     14.32254     11.24445        -0.117089     -0.383953     -0.066403
      3.94329      9.98785     10.33929        -0.868154      2.909200     -0.992904
      3.34846     11.63572      8.38786         0.925588     -0.785151      3.344689
      4.28249     15.80141     11.50553        -0.086168      0.083703     -0.290867
      4.17711     16.73073     10.43704        -0.312458      1.192702      0.243656
      4.34520     18.13113     10.66410        -1.004364      0.311656      1.037075
      4.52620     16.31651     12.81176         0.363483     -0.840843     -0.017697
      4.68022     17.66854     13.06786         0.480481      1.454617     -1.706255
      4.56706     18.61852     12.00629        -0.640332     -1.647067     -1.625071
      4.70667     20.10272     12.05057        -2.661864     -7.203265     -9.029506
      4.35808     19.29388      9.62600        -0.197275      0.061227      3.505473
      4.76022      0.68583     10.07579        -0.854328     -1.091536      0.385670
      5.00784      1.00482      8.71467        -0.851130     -1.887324      1.350336
      5.30006      2.28780      8.35866        -0.445873      0.250949     -0.035580
      4.75806      1.77100     11.00581        -0.671518     -0.431199     -0.727637
      4.99198      3.10313     10.60807        -0.960936     -0.099546     -0.927270
      5.30469      3.36500      9.21888        -0.147319      1.129241      1.335935
      5.75445      4.79387      8.73253         0.922286      0.547883      1.964620
      6.09848      5.08102      7.45674         1.876164     -0.077358     -1.796688
      6.36678      6.41716      7.04219         0.897480      0.524222      0.340625
      5.72763      5.97109      9.66089         0.190971     -4.849305      0.116065
      5.90930      7.19016      9.28959         1.897424      4.623904     -2.198723
      6.25880      7.48780      7.91586         0.732763      1.620390     -0.039165
      6.19184      3.94744      6.39031         0.081882      0.210169     -0.346674
      4.87458      4.16955     11.66316        -1.017918     -0.242923      0.448824
      1.50231     14.33130      0.54494        -0.993894      1.260609      1.432812
      1.95008     14.77739      1.86172        -0.961925     -1.376955     -0.731249
      1.80045     16.16395      2.19386        -0.181625     -0.105248      0.996422
      0.91903     15.34930     20.89149        -0.797396     -3.365342      1.901247
      0.90069     16.63589     21.22664        -0.658843      2.133866      0.731499
      1.28096     17.13934      1.26611        -0.319284     -0.234845      0.051085
      1.67358     12.87922      0.32671        -1.143908     -0.687028      0.764630
      2.54210     13.51141      2.64208        -1.465550      1.058771     -2.089665
      1.09600     18.63452      1.48513         0.097672     -0.237555      0.691868
      1.44918     19.29424      2.70554        -0.275799      0.426738      0.143390
      1.34455     20.70674      2.82358        -0.517160      0.507743     -0.049063
      0.56876     19.46884      0.44074        -0.246196     -1.147482     -0.691683
      0.42209     20.83186      0.51688         0.525631      1.217739      2.687025
      0.83921      0.23274      1.74228        -0.988172     -0.756263     -0.531247
      0.82686      1.74670      1.99765         0.452432     -2.932332      2.210929
      1.72874      0.36467      4.02786        -1.286357      0.206746     -3.031844
      1.58324      3.01510      4.17214        -0.048570     -1.189772     -0.182498
      2.14196      2.95482      5.47779        -1.134089     -0.278704     -2.341342
      2.35133      4.12276      6.13197        -0.853325      0.206767     -0.582581
      1.24606      4.28468      3.63155        -0.271170     -0.379315      0.726676
      1.50558      5.47067      4.34122        -0.309777     -0.820948      0.849062
      2.13809      5.41853      5.64646        -1.328619     -0.006481     -1.330183
      2.46465      6.59364      6.43876        -0.831750      1.741117      1.172046
      3.06519      6.49824      7.69800        -1.004095      1.616629     -0.501641
      3.37940      7.64856      8.47183        -0.852353      0.794973     -0.866414
      2.26121      7.98671      5.99073        -1.731707     -2.516548     -0.311913
      2.63126      9.07581      6.65570         0.583040      2.220277      2.244929
      3.16165      8.95827      7.97677         0.549840      0.631026      1.405196
      3.32242      5.18855      8.29861        -5.576713      1.943404     -4.933133
      1.04836      6.76239      3.73687        -1.761773     -0.974244      0.543362
      4.61480     14.02213      0.76725        -0.095430      0.476030     -0.069873
      3.80158     14.98654      0.04610         1.256203     -1.504810     -0.315644
      3.84288     16.36840      0.42566         0.379075      0.347137     -0.989382
      5.45553     14.51364      1.84519        -1.180261     -1.585063     -1.388728
      5.45025     15.84806      2.17695         0.219547      1.452902      0.710498
      4.66542     16.84988      1.49566         0.181172      0.076981     -0.059872
      4.48906     12.55092      0.23253        -0.740950      2.611757     -0.324013
      2.96942     14.21486     20.20085         1.936002      0.475223     -0.636515
      4.76011     18.35090      1.93446         0.034931     -0.162040     -0.093140
      4.04002     19.42896      1.31223        -0.157437      0.078070     -0.687952
      4.14287     20.77456      1.75182         1.005561      1.181142      0.965354
      5.61672     18.73232      3.02438         0.058922     -1.289053     -0.135208
      5.76652     20.03327      3.47928        -0.893956      1.894429     -0.581065
      5.02836     21.09674      2.85522        -0.360541     -0.327410     -0.511512
      5.06651      1.36315      3.21938        -2.151393     -2.439303     -3.010930
      3.43903      0.84957      1.22963         2.799135     -0.683801      1.932820
      3.68779      3.46701      2.15738         0.714966     -1.202647     -0.492694
      2.85500      4.02978      1.13887         1.312291     -1.957893      0.897284
      2.64911      5.38747      1.10470        -1.355162     -2.057381      1.517542
      4.20664      4.36867      3.12981         0.315948     -0.683305     -0.269949
      3.97968      5.75650      3.07367        -0.274562      0.159509     -1.920276
      3.24008      6.32904      1.94732         2.285051      0.652553      1.861058
      3.09984      7.91226      1.80327         1.882465      0.867574     -0.280302
      2.35408      8.48137      0.78124         0.209008      1.787116      1.149626
      2.16113      9.89802      0.70591        -0.593014      0.209545      0.378030
      3.60098      8.94368      2.82532         1.079784     -5.495717     -1.423110
      3.34521     10.20954      2.79997        -1.104437      5.671043     -1.060475
      2.60579     10.79650      1.68496        -0.594067      1.142453      0.084906
      1.81280      7.56204     21.03921        -0.945909      1.188330      1.999817
      4.57768      6.64248      4.13959        -0.056639     -0.638885     -2.134309
     18.35558     17.30669     13.24216         0.150815      0.036224      0.494527
     19.49174     17.81712     13.96996        -1.566484     -0.551423      0.732806
     19.64422     19.23589     14.12734        -1.119905     -0.995362      0.956107
     17.42485     18.23377     12.66384         0.727141     -1.720013      0.460409
     17.61031     19.58992     12.84208        -0.335202      0.982336     -0.098930
     18.68339     20.13948     13.60059         0.209320     -0.673718      0.366950
     18.33776     15.74561     13.20285         0.997916      2.350075      1.064547
     20.37792     16.67744     14.43610        -0.663936     -0.407125      0.783191
     18.79757      0.33804     13.85296        -0.082723      0.366586     -0.029179
     19.88059      0.89530     14.58463         0.279826      1.016012      0.521006
     19.94026      2.28477     14.88877        -1.522563      1.018410     -0.221611
     17.77824      1.22047     13.39740        -0.160706     -0.568832     -0.241079
     17.77292      2.57242     13.68642         1.480420      1.109600      1.076850
     18.84753      3.13453     14.44737         0.319809     -0.490847      0.009199
     19.00807      4.59252     14.87251         1.718896     -3.408525      0.724591
     20.92752      3.10869     15.68383        -1.427514      0.097878      1.938957
     20.95508      5.71539     16.33746        -0.013072     -2.176488      2.183215
      1.06423      5.64477     16.91019        -3.574086     -0.979086      0.811574
      1.64697      6.76545     17.41191        -4.699690      1.287684     -3.685071
     20.37351      6.97657     16.37433        -0.926737      0.038328      0.754262
     20.95031      8.12523     17.03973         0.209298     -1.648260      1.021459
      1.01262      8.02584     17.57458        -2.220787      0.578796     -0.140152
      1.64499      9.23751     18.19610         3.882417     -4.253814      1.273513
      2.99613      9.11138     18.95819        -1.471356     -0.695412     -1.473008
      3.47133     10.18200     19.64705         1.508207      0.868331      0.577333
      1.05377     10.35213     18.39380        -1.871245      5.458134      2.733475
      1.68396     11.66680     18.90166         2.223861     -3.149444      2.040188
      2.93659     11.49019     19.60715         0.852655      2.590777     -1.167687
      3.71391      7.81612     18.93943         1.571201      3.364665      1.203892
     20.14521      9.34633     17.10367         2.877473     -0.293673      3.309540
      2.08821     18.10880     14.09972        -0.690569      0.154954     -0.196128
      1.21292     19.09365     13.53205         0.819501     -0.643718     -0.079087
      1.41244     20.47235     13.85256         0.046644     -1.129700     -0.436029
      3.17161     18.52806     14.93441        -1.686433     -1.041580     -0.231980
      3.39004     19.87396     15.14453         0.153606      1.278137      0.685256
      2.50501     20.89871     14.65156        -0.210918     -0.455454     -0.059738
      1.64154     16.66076     13.77269        -0.049268      1.758493      0.269025
      0.14255     18.46159     12.60528         2.411491     -1.113837     -0.045673
      2.69412      1.09623     14.93604         0.151956     -0.191287      0.219210
      1.79056      2.02495     14.45182         0.625574      2.564599     -0.706689
      1.92899      3.48260     14.78576         1.859112     -0.462999     -1.326856
      3.78168      1.57558     15.74713        -0.791556     -1.069064      1.071879
      3.97538      2.89606     16.06186        -1.441155      1.833818     -0.024693
      3.03791      3.89483     15.58667        -0.013908     -1.017054     -1.054499
      3.07233      5.35094     15.81846        -3.317450     -4.788944     -4.744531
      1.02960      4.65254     14.38059         1.641588      0.909331     -1.846429
      1.25981      7.26565     14.97496         2.103285     -1.122588     -1.842649
      0.05497      7.57305     14.34738         1.224973     -0.853466     -0.593354
     20.86821      8.87913     14.29753         1.289927     -0.096286     -0.116930
      1.95523      8.32007     15.65040         0.065043     -0.078942     -2.005504
      1.52686      9.66507     15.54052         0.094951     -0.806341     -2.370644
      0.30383      9.95428     14.78995         2.273367      1.041084     -0.411344
     21.02839     11.36899     14.68041        -0.408973     -0.098701     -0.180345
     19.76193     11.62559     14.12036        -1.343689     -0.275347      0.669335
     19.32044     12.93801     13.86483         0.206045      0.492551      1.434906
      0.48144     12.50417     15.14358        -0.645351     -0.506033     -0.842466
      0.06604     13.78386     14.96517        -1.644695      1.166946     -0.000680
     20.10679     14.03864     14.28458        -1.052403      1.105698      0.696619
     18.80616     10.46099     13.60231         1.077276      2.849550     -2.667693
      2.35350     10.67803     16.16378         0.620020      0.712834     -1.045898
     16.21700      0.41739      5.08065        -0.220265      0.379675      0.509288
     17.14461      0.94520      6.05209        -1.327370     -0.775219     -0.232711
     17.15613      2.33656      6.33699        -0.514841     -0.981478      0.286249
     15.26687      1.30059      4.47752         1.405939     -1.618054      0.761908
     15.32076      2.65329      4.77522        -0.450243      0.803632     -0.248253
     16.25024      3.22275      5.67445         0.157067     -0.063466      0.284912
     16.39025     20.16421      4.84181         1.027802      2.143672      1.950329
     18.02771     21.06733      6.60160        -2.511390     -0.205003      1.108447
     16.27070      4.70178      5.93480         0.083206      0.338446      0.206153
     17.18546      5.29165      6.86128        -0.136929      0.648835      0.206374
     17.17930      6.68763      7.11321        -0.798647      1.014166     -0.436784
     15.36629      5.58264      5.26578        -0.215812     -1.094213     -0.399325
     15.33298      6.94673      5.48088         1.028646      1.545305      1.213734
     16.23963      7.54416      6.41888         0.446343     -0.487158      0.288011
     16.37817      9.04712      6.82318         1.714363     -3.209659      0.961100
     18.05433      7.51115      8.10264        -3.624396      0.833688     -2.043746
     18.08171     10.15793      8.59490        -1.357669     -0.693484     -0.333943
     19.12367     10.03492      9.52601        -2.408145     -1.210954     -0.467973
     19.61479     11.12640     10.17132        -0.734219      1.020777      0.054626
     17.57855     11.48011      8.36837        -0.041552     -0.853607      0.177575
     18.08349     12.59121      9.05314         0.138727     -0.139473      0.907136
     19.15958     12.45009     10.02600        -1.920718     -0.325306     -1.105921
     19.72313     13.58060     10.75119         0.554793      0.196431      1.325864
     20.85699     13.41707     11.62690         0.623042      2.687184     -0.031952
      0.22352     14.50311     12.24593        -0.460050      0.652929     -1.783448
     19.23502     14.89578     10.67412         0.193980      0.189266      1.895247
     19.83931     16.03745     11.32136        -0.540438     -1.141379      0.163936
     20.99612     15.83808     12.04674         2.025409      1.085010      0.308606
      0.19554     12.10039     11.91147         3.163702      5.053871     -0.203127
     17.49401     13.95111      8.75480        -1.086185     -1.236944      0.182224
     20.10760      1.23182      6.25927         1.088509      0.229904     -0.760629
     19.56900      2.28094      5.48923         0.841169      0.610939     -0.025395
     19.76652      3.64062      5.93472         0.028946     -1.485678     -0.764000
     20.80316      1.51043      7.50183        -0.510088     -1.618650     -2.006421
     20.94604      2.79497      7.89523         0.333330      1.780895      0.848039
     20.44963      3.91333      7.12592         0.148096     -0.233260      0.205511
     19.80053     21.09167      5.61479         2.221834      2.322066     -1.876371
     18.81304      1.79308      4.20910         2.676958     -1.640556      2.861717
     20.65802      5.31874      7.56602        -0.172137      0.751499     -0.324685
     20.20875      6.37196      6.71609         0.736986      0.992308      0.348765
     20.40063      7.73213      7.07415         1.077060      0.115179      0.259732
      0.02337      5.68304      8.79240        -0.294193     -1.067058      0.251567
      0.24606      6.99469      9.17468        -0.383587      2.100098     -0.932193
     21.04625      8.06084      8.32359        -0.012665     -1.209481     -1.881912
     21.10748      9.56583      8.51659        -4.903702     -8.201833    -12.090058
     19.94974      8.99807      6.29644         1.612472     -0.289446      2.444963
     20.18859     11.58451      6.96343         0.410202     -1.184732      0.037373
     19.39423     11.97758      5.85338         1.093016     -1.379956      1.221397
     19.09270     13.30019      5.66801         0.407195      0.331866      0.429882
     20.72029     12.63140      7.79284         0.287645     -0.947244     -0.753284
     20.46187     13.97579      7.53665         0.126774      0.426349     -1.395580
     19.55488     14.36013      6.44772         1.872663      0.012594      0.703320
     19.12037     15.77422      6.24589        -0.297064      0.206297     -1.219769
     18.23248     16.11645      5.17874         0.244457      0.310700      0.066780
     17.73714     17.43663      5.04745         0.807257      0.349247      0.366566
     19.49189     16.85874      7.10027        -0.148307     -1.439731     -0.600269
     19.04633     18.12163      6.98825        -2.021467      1.768594     -0.876511
     18.10679     18.46136      5.95192        -0.441565      0.546025      0.027101
     17.79199     15.10198      4.13597         0.185487      0.609361      0.063120
     21.12016     15.03760      8.39630         0.854984     -0.329739     -0.856425
     12.18779      5.33834      4.03419         0.685240     -0.136365     -0.405658
     12.90079      3.73471     20.58645         0.106514      0.161297     -0.310349
     13.02626      6.17522     21.09606        -0.146199     -0.577612      0.381892
     12.38960      7.45835      4.36784         0.348909      0.170706     -0.464581
     13.25743      7.86330      0.09979        -0.084836      0.581356      0.741401
     13.55235     10.34819      0.40293         0.010511     -0.267548     -0.087785
     12.93629     13.74172      8.56974         1.050584     -1.205326     -1.738159
     12.67916     11.84347      7.12969         0.482004     -0.037120      0.316040
     13.86251     14.29278      3.79990         0.493802      0.014650      0.067037
     13.03413     17.13661     11.33340        -0.040310      0.059075      0.184484
     14.38665     17.74493      6.63813         0.300836      0.798482      2.181436
     14.69798     19.59364      8.18858        -0.127310     -0.306639      0.109679
     10.24411      6.85719      3.34812        -0.059796     -0.043235      0.224012
      9.32588      3.45059      6.89229         0.112752     -0.146416      0.335382
      9.50924      5.85392      7.54654         0.159379     -0.173342     -0.603691
     10.72699      8.65668      3.91855        -0.614940      0.023602      0.065295
      9.60844      7.67462      8.02002         0.221009      0.609690     -0.453280
      9.88550     10.10998      8.65141        -0.080117     -0.336945     -0.067057
     12.28426     15.94238      2.37062        -0.148818     -1.519176      1.677263
     11.79830     13.63935      2.92061        -0.098738      0.247618     -0.063515
     10.86592     14.86178      6.93198        -0.455381      0.005428      0.535818
     12.55857     20.20407      1.09946         0.283453     -0.011250      0.040992
     11.64684     19.05092      5.77530         0.823790      1.655413     -1.749366
     11.81292      0.12166      5.18508        -0.029166      0.067921      0.238550
      9.60899      9.35304     17.22499         0.761609      0.003110     -0.169293
     10.09275      7.75397     12.47154         0.044675      0.331229     -0.268451
     10.30797     10.22160     12.98802        -0.168032     -0.583837      0.483270
      9.78333     11.37718     17.63655         0.316542      0.261557     -0.512944
     10.56072     11.99984     13.36811        -0.055222      0.361742      0.664806
     10.83636     14.45319     13.79831        -0.023747     -0.087894     -0.313384
      9.84452     17.83656      0.70811        -0.194995     -1.417922     -3.028757
      9.96159     15.84405     20.62157         0.019500      0.335884      0.010478
     10.59255     18.36153     17.16678         0.793234     -0.071623      0.276799
      9.76098     -0.00390      3.41066        -0.434190     -0.166638      0.464016
     10.72360      0.68558     19.91205         1.074214      0.785324      2.671026
     10.63695      2.61989      0.12995        -0.338545      0.091208     -0.306726
      7.87650     10.61108     16.09078        -0.570828     -0.289308      0.525195
      6.89895      7.21072     19.66387         0.014534      0.256055      0.134474
      6.89624      9.65283     20.24936         0.288584     -0.348129     -0.676758
      8.02581     12.63767     16.69709        -0.775357      0.067542      0.398859
      6.74767     11.41746     20.70008         0.366780      0.684489     -0.643425
      6.72210     13.83210      0.13606         0.249922     -0.353768      0.015653
      9.35081     20.08540     15.66984         2.725228     -2.481382      3.844172
      8.95521     17.73898     16.14639        -0.118063      0.250757     -0.031934
      7.26546     18.84452     19.95708        -0.132876     -0.054413      0.331678
      9.38789      3.02883     14.33893         0.287577      0.014983     -0.321455
      8.43501      1.91121     19.05102         1.237443      1.538856     -1.441307
      8.77941      4.25042     18.42726         0.139286     -0.364980      0.038711
      6.81041     13.05193      8.73720         0.053683     -0.051380     -0.313184
      7.54629     11.32333      4.07014         0.111590      0.210744     -0.200795
      7.82529     13.77482      4.54252        -0.259603     -0.558674      0.489996
      6.80908     15.12347      9.01537         0.068899      0.134884     -0.290380
      8.06329     15.51309      4.84271        -0.146230      0.473130      0.663435
      8.21880     17.99739      5.13777        -0.099811     -0.322103     -0.094124
      6.31804      0.35703     13.09109        -0.581084     -1.066423     -5.516021
      6.40110     19.62967     11.67739         1.276118      0.746556     -0.078109
      8.09004      0.77646      8.52357        -0.067355      0.079014      0.035862
      6.67573      3.74132     15.98674        -0.174413     -0.056268     -0.092606
      7.96232      4.36120     11.26773         0.189940      0.673137      2.435614
      8.02960      6.28911     12.78001        -0.448607      0.432374     -0.455495
      3.59914     14.48631      9.11855         0.041788     -0.250247      0.297832
      4.57417     11.27136     12.87571         0.011377      0.275314      0.024604
      4.67063     13.75454     13.30144        -0.140670     -0.393749     -0.728032
      3.98513     16.41652      9.41035         0.054738     -0.086023      0.023621
      4.59554     15.61074     13.66405         0.035609      0.476928     -0.509060
      4.85859     18.07940     14.05450         0.699568     -0.411041     -0.359386
      5.52421      2.46565      7.31918        -0.922133     -1.422068      1.665260
      4.95098      0.19717      7.97520         0.115756      0.245580      0.032033
      4.56984      1.55671     12.04506        -0.327180      0.094071      0.137754
      6.65967      6.59468      6.01832         0.379558      0.079064      0.273027
      5.41215      5.73934     10.69076         0.454687      1.898774     -2.566480
      5.81071      8.02324      9.98757         0.084402     -0.210889      0.014931
      2.10759     16.48211      3.22352        -0.233699     -0.214175     -0.797152
      0.59640     14.93096     19.94602        -1.086586      0.511332      0.369619
      0.54483     17.34831     20.46190         0.072509     -0.436508      0.350835
      1.81549     18.73429      3.58200        -0.071765      0.110758     -0.346734
      0.24537     18.99722     20.74592         0.201323      0.350276      0.637008
      0.02701      0.21188     21.00104        -0.131065     -0.068072     -0.486669
      2.75021      4.00856      7.10673        -2.018047     -1.371976     -2.177819
      2.35788      1.98955      5.90181         0.131186     -0.164184      0.363369
      0.80604      4.32437      2.64794        -0.267010      0.099935     -0.069302
      3.80008      7.52259      9.44478        -0.206616      0.021966      0.483126
      1.86552      8.08623      4.95834         0.979611      1.143774      2.822905
      2.50660     10.07738      6.23498        -0.066653     -0.144332     -0.064707
      3.18071     17.07339     21.12259         0.941418     -0.564763      0.308755
      6.07713     13.75456      2.34885        -0.148730      0.451786      0.099423
      6.09928     16.18058      3.03225        -0.537130     -0.408572     -0.820804
      3.35797     19.22887      0.45003         0.626026      0.102655      0.595849
      6.20936     17.93517      3.54231        -0.494327      0.730977     -0.400719
      6.42206     20.32439      4.30514         0.067805     -0.331305     -0.005318
      2.00349      5.76479      0.30456        -0.553430     -3.892962      2.740120
      2.37886      3.34229      0.41841         0.206589      0.614682      0.211723
      4.80835      3.96463      3.94390        -0.175366      0.099734     -0.212962
      1.65656     10.28835     21.08334        -0.342880     -0.216475      0.550327
      4.10250      8.47381      3.69328        -0.815245      2.617234     -1.904366
      3.73221     10.90422      3.57457        -0.274995     -0.447768     -0.244647
     20.54228     19.59142     14.64500        -0.528326     -0.065302      0.142637
     16.58755     17.80561     12.10018         0.035505      0.292178     -0.002020
     16.88588     20.29758     12.37118         0.443134     -0.689759      0.326372
     20.71038      0.27858     14.94548        -0.341848      0.008155      0.063175
     16.94873      0.81627     12.78860         0.347090      0.247083      0.364375
     16.98783      3.24850     13.36990        -0.296661      0.005461     -0.204404
      2.73326      6.67612     17.64823        -0.785613     -0.018816     -6.897917
      1.57250      4.66971     16.85513        -0.362799      0.156305      0.998313
     19.39361      7.09856     15.90798         0.007342     -0.040543      0.235561
      4.36766     10.07569     20.24689         0.133525     -0.208430      0.091066
      0.11716     10.58595     17.89354         1.575911      0.169230      2.454441
      1.26956     12.59947     18.64394        -0.310383      0.831021     -0.507328
      0.68024     21.18075     13.45942         0.287090     -0.051994     -0.163714
      3.81374     17.72759     15.33634        -0.452899      0.530170      0.423344
      4.29427     20.19136     15.72446        -0.789169     -0.344058     -0.359873
      0.90520      1.77847     13.85534         0.405017     -0.048494      0.008980
      4.55717      0.84300     16.07583        -1.483207      0.638899      0.290431
      4.80250      3.27650     16.66103        -0.010525     -0.346623      0.100956
     19.94286      9.04610     13.81393         1.663765     -1.426866      0.311480
     20.74486      6.77870     13.86822         0.055218      0.101596     -0.183197
      2.83684      8.09812     16.22286         0.583616      0.148508     -0.644346
     18.39088     13.11687     13.35687        -0.362915     -0.032482     -0.153358
      1.42689     12.34599     15.63596        -1.377276      1.674693     -1.767602
      0.65167     14.62939     15.30853         0.101533     -0.120526      0.110209
     17.89371      2.69606      7.05801        -0.493511     -0.034091      0.099175
     14.53546      0.84710      3.81747        -0.132344      0.222646     -0.240283
     14.58564      3.31681      4.26819         0.514582     -0.480935      0.348815
     17.92391      4.68181      7.39515        -0.279483      0.110008     -0.055760
     14.65101      5.14103      4.53041         0.523132      0.462588      0.526389
     14.64617      7.62906      4.97147         0.012131     -0.320139     -0.079487
     20.41718     10.95725     10.86386        -1.504562     -1.105125     -2.439502
     19.56868      9.03575      9.68549        -0.794245      0.566284      0.423539
     16.78051     11.59720      7.64663        -0.107682      0.178465     -0.101707
      1.06437     14.35133     12.88865         0.420039     -0.137387      0.034675
     18.40302     15.10394      9.99785         1.340725      0.571196      2.250576
     19.43715     17.02550     11.12807         0.136921      0.022992     -0.183263
     19.35043      4.41355      5.29344         0.046055      0.099107      0.033724
     21.16004      0.63752      8.06424         0.057792      0.395701      0.015391
      0.22941      3.01305      8.84700        -0.468283     -0.243581     -0.698729
     19.70330      6.16813      5.77783         0.074391      0.000627     -0.106831
      0.37636      4.86778      9.46756        -0.625861      0.861905     -0.372134
      0.74643      7.28299     10.10577        -0.078090     -0.304181     -0.015130
     18.47235     13.53273      4.83152         0.792793     -1.623703      1.267360
     19.03550     11.20622      5.17440        -0.129393      0.118657     -0.045013
      0.07883     12.34913      8.63588         0.247241      0.102965     -0.072606
     17.04098     17.66852      4.25988         0.039775      0.017959     -0.306815
     20.18873     16.64833      7.89532        -1.592214      1.553290     -1.113425
     19.38768     18.92284      7.64071        -0.077793     -0.379029      0.259568
     14.05450     19.28328     10.58924        -0.109230     -0.136239     -0.143871
     18.63846     20.84372      3.65194         0.873149      1.562075      1.538310
     12.31261      1.19737      2.70546         1.264698     -1.435974      0.778731
     13.21318     11.71916      4.51128         1.858552      0.185922      1.091598
      9.99854      2.59351      2.81587        -0.816419     -1.047152     -1.505220
     10.94652     12.65609      5.36163        -1.151789      1.045843     -1.215680
      9.37253      5.23769     15.88399         1.690890     -1.269722      0.451387
     10.29515     15.69597     17.88323         1.075524      0.942222      1.529632
      7.33635      6.34458     15.50337        -2.097510     -0.442574     -0.516159
      7.83534     16.61693     18.37686        -0.824221      1.247401     -0.507864
      6.52800      8.92939      7.47011        -0.301289     -1.364730      0.467912
      7.33130     19.42255      9.09972         0.101143      1.396319      0.833794
      3.47879     10.15936      8.86110        -0.330870     -1.160835     -0.923698
      4.56895     20.51741     10.55592        -1.168335      1.332485     -1.389225
      2.29401     12.33281      1.54917         0.090157     -1.190940      0.497109
      1.37813      1.75568      3.42552        -0.152458      1.554096      0.717467
      3.48627     12.71689     20.37399         1.437655     -1.302030     -1.614606
      4.03263      1.93110      2.20451        -0.021900      1.572891     -0.134045
     19.64089     15.45086     14.02795         0.226134     -0.854976      1.525665
     20.36156      4.50126     15.72300        -1.314809      0.361393      2.283723
      0.43987     16.96832     12.72551        -0.409590     -0.473220     -2.074356
      1.73705      5.82781     15.03855         0.141981      1.182605     -2.781317
     17.53000     19.84351      5.80875        -0.124811     -1.420092      0.696377
     17.53582      8.94757      7.85940         0.259812      1.414458      0.712370
     19.04171      0.30478      4.36366         0.478789     -0.810566     -1.494115
     20.43171     10.11160      7.24701         0.004425      1.431880     -1.564548
     11.90353      2.42509      4.90196         1.443138     -0.736549     -1.816544
     12.73704      0.92568      0.21988         1.527237      0.855133      2.211814
     12.54456      9.89037      6.12852         3.501428      0.828695     -1.701999
     13.75086     12.74177      2.23757        -0.371500     -1.335925      1.224916
     10.40153      4.59922      1.31282        -2.309731     -0.834486      0.764608
      9.43033      1.36347      4.92974        -0.525448     -1.242579      0.185830
     11.33403     11.47779      3.12183        -3.671835      0.869234      2.902505
     10.36682     12.93308      7.78613        -0.559620      0.027225     -0.618635
      9.16935      6.50084     18.07956         1.883441     -0.969414     -1.799319
      9.59690      4.92630     13.34681         2.104702      2.281480      3.975433
      9.82955     13.79639     19.49596         1.543679      0.727534     -0.590240
     10.75796     16.76236     15.60159         0.396395     -0.507040      0.914381
      7.92633      8.36527     14.01879        -4.338329     -1.544856      3.183795
      6.91090      5.06368     17.63527        -0.658911      0.977311     -1.029776
      8.49654     15.56405     16.13327        -3.262554      0.444126      2.660280
      7.08472     16.67907     20.78288         0.255760      0.071875     -1.116701
      6.28319     10.22629      9.62112         0.742108     -0.627268     -1.095535
      6.99716      8.59122      5.02236         0.373495     -0.520114      0.335777
      6.56458     17.62495     10.67908         1.797119      0.596587     -0.547099
      8.14328     20.39610      6.90849        -0.353143     -0.073206      0.849020
      3.03492     12.10654      7.31431         0.125106     -0.841873      0.398427
      4.14208      8.98438     11.00760        -0.607657      0.803783     -0.934967
      4.23413     19.21901      8.42280         0.075356      0.580344      0.180348
      4.85187     20.70891     12.98378        -0.750876      4.489683      7.022446
      3.02382     13.45271      3.75187        -0.298854     -0.680127     -0.900840
      1.23139     12.20617     20.55273        -3.772884      1.320658      5.610287
      2.17854      0.04896      5.11226        -0.290835      0.683913     -0.680676
      0.47999      2.65660      1.26691        -0.142352     -0.430326      0.903184
      2.16232     14.68392     19.34371         4.645344     -2.452632     -0.232580
      5.05683     11.52910      0.62923        -0.862505      1.144726     -0.652899
      2.64291      0.95726      0.31508         1.632506      0.863728      0.342600
      5.73838      1.90923      4.05417        -0.038667      0.296648     -0.389884
      0.26681     16.77680     15.09336        -4.187790     -0.722582      0.315660
     17.51675     14.98506     12.71613         0.641736      0.549676      1.332451
      0.77668      2.67999     16.20574        -5.207604      1.359436      0.583909
     18.27732      5.52131     14.66161         0.326378      0.638936      0.320009
     20.51872     19.03564     11.96421         1.892685     -0.878064     -0.775076
      2.17400     15.58523     14.04377        -0.220242      1.470019     -1.088606
     -0.04987      4.65280     13.68007         4.400381      0.442478     -0.200391
      3.83395      5.99457     16.40383         3.048163      2.173934      0.965637
     18.90359     21.17126      7.53104        -5.151499     -1.154811     -0.372729
     15.76574     19.44383      4.07710         0.782450      0.232174      0.592580
     18.89188      7.10092      8.85709        -1.892454      0.368363      1.637747
     15.74533     10.00221      6.43192         0.566681     -0.088301      0.429858
     18.24001      2.44656      3.37295        -0.071736     -0.631633     -0.449156
     20.15094     19.96884      5.99347         1.322881      1.906551     -3.012220
     19.38676      9.05101      5.21025         0.370461      0.515557      0.953806
      0.32013     10.05819      9.37555         6.870094      6.160415      8.609094
     13.33003     17.62277      5.37142         1.879956      1.471483      0.420714
     15.41955     17.08178      5.64727        -0.105551     -1.173375     -1.692376
     14.30596     16.61837      3.80405         1.462062     -0.193122     -1.113706
     11.91416     15.07427     11.10055         0.643144     -0.541951     -0.643570
     11.54115     14.49111      8.98317        -0.297541      1.334390      3.494004
     13.59069     13.89890     10.06486        -1.804237      1.251311      1.263635
     12.19207     18.28668      7.06878        -3.329439     -0.506455      0.873487
     10.10291     18.49803      6.13367         0.318310     -1.604695      1.979174
     10.55912     17.00721      7.79203        -0.070687      0.449450     -0.787633
     12.86425     18.08291      0.20368         0.235715     -0.777118      0.517884
     13.70406     16.73387      1.74587         1.238536      0.058656     -1.968338
     11.52392     16.44974      1.16904         2.070429      1.835542     -2.158523
      9.74924      0.42464     18.81022         2.895180     -0.095841     -0.781675
     11.89737      0.04807     18.72491        -0.060294     -0.412640     -0.653190
     10.62318     20.72343     17.04022         3.483385      0.674875      1.410409
      9.48056     19.00008      3.45115        -1.468798      0.276132      0.371742
      8.50547     18.37513      1.49885        -0.822744      1.003624      2.153709
     10.60002     18.23072      1.90489         1.748170     -4.524265      0.384354
      8.52836      0.79246     20.52382        -4.226374      0.065217     -0.727640
      6.82005      1.37217     19.07885        -1.460582     -2.111411      1.897372
      6.59051     21.01439     20.64649         0.026022      0.412229     -0.366802
      8.91855      0.93622     13.31224         1.628952     -1.909622      3.010331
     10.32019     21.03944     14.61125        -0.937466      0.729193     -0.855523
      8.15821     20.33555     15.05507        -4.419236      3.613151     -8.134680
      7.17284      4.11835      9.90885         4.250908     -0.873951     -0.431876
      9.26292      3.65719     10.57635         0.498949     -1.087197     -2.305167
      8.54229      3.05645      8.53991         0.532277      0.204498      0.948811
      6.34340      1.44753     16.00338         0.053496      0.053059     -0.304725
      5.13480      1.27925     14.14646        -1.888117      1.235868     -0.480273
      6.95996      0.59989     14.16561         7.792204     -9.767798      2.086580
      6.11761      4.95147     11.77068        -4.190854     -0.144256      1.225971
      3.90342      5.14868     11.46992         0.246358     -0.924594      1.599144
      4.61462      3.70111     12.90624         0.091505      0.149922     -0.589581
      6.63254      4.37548      5.19125         0.738865     -0.817131      0.619166
      7.06397      2.95010      6.84871        -0.044486      1.151166     -2.170462
      4.92385      3.23442      6.06320         2.426107      1.275989     -1.358128
      0.33580      7.58396      4.63362        -1.644470     -1.464427     -1.948236
      2.07447      7.53622      3.37609        -2.902391      0.524356      1.383299
      0.32881      6.62916      2.59679        -0.745606     -0.219372      0.681490
      3.80985      5.26449      9.37980         0.207969      0.759088      8.006874
      2.11034      4.44027      8.55995         0.409995     -0.212518      0.699338
      4.06495      4.44921      7.52165         0.136467     -0.785078     -0.262714
      5.50458      7.53397      3.57897         0.588599     -2.018612      0.443497
      3.66456      7.42077      4.78215         3.293050     -0.648329     -0.652109
      5.07649      5.96127      5.13824         0.336149     -0.629239     -0.217240
      1.28739      8.22352     19.94645        -0.587738     -2.694556      2.992867
      2.93288      6.68138     -0.25638         0.182998      4.410708     -6.564228
      0.72316      6.78071      0.20402        -0.059940      1.081363     -1.100846
     19.86309      9.71332     18.45594        -0.493275     -0.209972     -0.381021
     20.83436     10.51640     16.57660        -4.387415     -0.612016      1.867645
     19.03913      9.28793     16.54818        -4.245523     -0.272514     -1.421788
      4.60803      7.72935     19.99080        -0.325412     -0.488817     -1.498155
      2.68931      6.62902     18.74170         4.976460     -1.152693     12.874362
      4.36405      7.64725     17.78320         1.129676      0.319750      0.502755
      2.87616     11.61294     15.25279         1.578135     -1.233497      0.378872
      1.53127     11.63553     16.95411         3.132069     -0.276114     -1.323004
      3.37757     10.21803     16.94060        -0.011515      1.484057     -2.030385
     17.64789     10.94145     13.11464         0.028745      0.012895     -0.345842
     19.37250      9.55745     12.50376        -2.553617      1.510214     -0.434337
     18.56095      9.60509     14.49418        -3.216491     -1.703623      2.493188
     16.89293     14.51789      9.94630        -1.163163     -0.918107     -2.089862
     18.44888     14.83864      8.33327        -3.300472     -0.258024      0.485561
     16.54455     13.91162      7.77470         0.162837      0.284172      0.742232
      1.17843     12.06758     12.84578         1.215506      0.385435     -0.136881
     20.54625     11.33321     12.28375        -1.298224     -3.692448      1.438973
      0.76850     11.65873     10.82680         2.497166     -0.526390     -1.910663
      0.43213     16.08872      7.61228         1.721876     -2.074028      1.094011
     20.20111     15.72801      9.23327         3.813615      0.179324     -2.325861
      0.83976     14.53991      9.21371        -0.509150      0.660483     -0.678955
     17.10702     15.66407      3.09380         0.499155     -0.936286      0.737462
     18.96943     14.44681      3.56726        -2.143524      1.734421     -1.106368
     16.92329     14.10372      4.75005        -0.122947      1.823110     -1.973749
 -----------------------------------------------------------------------------------
    total drift:                                0.010312     -0.022257     -0.000816


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4414.7932208876 eV

  energy  without entropy=    -4414.8131443043  energy(sigma->0) =    -4414.79986203
 
 d Force = 0.3871591E+00[ 0.627E-01, 0.712E+00]  d Energy = 0.3902013E+00-0.304E-02
 d Force =-0.9574430E+02[-0.982E+02,-0.932E+02]  d Ewald  =-0.9574005E+02-0.425E-02


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3200
 total energy-change (2. order) : 0.2791580E+03  (-0.4358910E+04)
 number of electron    2497.9999995 magnetization 
 augmentation part      167.9661692 magnetization 

  free energy =  -0.413563523784E+04  energy without entropy=  -0.413572743930E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3720
 total energy-change (2. order) :-0.2667629E+03  (-0.2870847E+03)
 number of electron    2497.9999994 magnetization 
 augmentation part      170.4183786 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7119
  0.7119

  free energy =  -0.440239817589E+04  energy without entropy=  -0.440251138779E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3728
 total energy-change (2. order) : 0.1381332E+02  (-0.7545657E+01)
 number of electron    2497.9999993 magnetization 
 augmentation part      168.0937295 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8741
  0.8741  0.8741

  free energy =  -0.438858485894E+04  energy without entropy=  -0.438862665593E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3920
 total energy-change (2. order) :-0.3151523E+01  (-0.7407841E+01)
 number of electron    2497.9999992 magnetization 
 augmentation part      167.4873930 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8765
  1.1567  1.1567  0.3161

  free energy =  -0.439173638218E+04  energy without entropy=  -0.439176745036E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(   5)  ---------------------------------------



 eigenvalue-minimisations  :  4040
 total energy-change (2. order) : 0.3570175E+01  (-0.4954884E+01)
 number of electron    2497.9999994 magnetization 
 augmentation part      167.4762372 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7916
  1.2307  1.2307  0.3525  0.3525

  free energy =  -0.438816620690E+04  energy without entropy=  -0.438821090356E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(   6)  ---------------------------------------



 eigenvalue-minimisations  :  4048
 total energy-change (2. order) : 0.4902259E+01  (-0.7354973E+00)
 number of electron    2497.9999994 magnetization 
 augmentation part      166.9422518 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8712
  1.5387  1.2140  0.6333  0.6333  0.3369

  free energy =  -0.438326394798E+04  energy without entropy=  -0.438335040046E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3680
 total energy-change (2. order) : 0.1206897E+01  (-0.4379625E+00)
 number of electron    2497.9999993 magnetization 
 augmentation part      166.5168987 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9088
  1.7818  1.1467  0.7931  0.7931  0.5875  0.3506

  free energy =  -0.438205705129E+04  energy without entropy=  -0.438212677660E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3768
 total energy-change (2. order) :-0.1605803E+00  (-0.1409866E+00)
 number of electron    2497.9999994 magnetization 
 augmentation part      166.6612835 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9648
  2.1809  1.0815  0.9990  0.9990  0.5732  0.5732  0.3465

  free energy =  -0.438221763157E+04  energy without entropy=  -0.438230005662E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3752
 total energy-change (2. order) : 0.3322301E+00  (-0.8736442E-01)
 number of electron    2497.9999993 magnetization 
 augmentation part      166.5665239 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8896
  2.2599  0.9885  0.9885  0.9682  0.6434  0.6434  0.3571  0.2680

  free energy =  -0.438188540148E+04  energy without entropy=  -0.438194846003E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3952
 total energy-change (2. order) : 0.6140545E-01  (-0.3090707E-01)
 number of electron    2497.9999994 magnetization 
 augmentation part      166.5321173 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8773
  2.3288  1.1239  1.1239  0.8034  0.8034  0.5798  0.5798  0.3466  0.2060

  free energy =  -0.438182399603E+04  energy without entropy=  -0.438191724185E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(  11)  ---------------------------------------



 eigenvalue-minimisations  :  3688
 total energy-change (2. order) : 0.3157741E-01  (-0.9973427E-02)
 number of electron    2497.9999993 magnetization 
 augmentation part      166.5662523 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9066
  2.3664  1.2744  1.2744  1.0228  0.7652  0.7652  0.5312  0.5312  0.3458  0.1897

  free energy =  -0.438179241862E+04  energy without entropy=  -0.438191999541E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(  12)  ---------------------------------------



 eigenvalue-minimisations  :  4008
 total energy-change (2. order) :-0.8198678E-02  (-0.4495453E-02)
 number of electron    2497.9999993 magnetization 
 augmentation part      166.4798350 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8849
  2.4396  1.2252  1.2252  1.0662  1.0662  0.6303  0.6303  0.6093  0.3546  0.2974
  0.1900

  free energy =  -0.438180061730E+04  energy without entropy=  -0.438182406717E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(  13)  ---------------------------------------



 eigenvalue-minimisations  :  3616
 total energy-change (2. order) : 0.7006362E-02  (-0.1422182E-01)
 number of electron    2497.9999993 magnetization 
 augmentation part      166.5640807 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8945
  2.5261  1.4282  1.4282  0.9108  0.9108  0.9432  0.6087  0.6087  0.5721  0.3491
  0.2530  0.1954

  free energy =  -0.438179361094E+04  energy without entropy=  -0.438191223702E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(  14)  ---------------------------------------



 eigenvalue-minimisations  :  3472
 total energy-change (2. order) : 0.1116771E-01  (-0.1308631E-02)
 number of electron    2497.9999993 magnetization 
 augmentation part      166.5515349 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9122
  2.5414  1.6179  1.2949  1.1042  1.1042  0.9210  0.6187  0.6187  0.6193  0.6193
  0.3490  0.2543  0.1956

  free energy =  -0.438178244323E+04  energy without entropy=  -0.438188458542E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(  15)  ---------------------------------------



 eigenvalue-minimisations  :  3744
 total energy-change (2. order) :-0.2352855E-02  (-0.5058145E-03)
 number of electron    2497.9999993 magnetization 
 augmentation part      166.5295413 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9031
  2.5284  1.2800  1.2800  1.3326  1.3326  0.7813  0.7813  0.8298  0.5702  0.5702
  0.5516  0.3499  0.2599  0.1952

  free energy =  -0.438178479608E+04  energy without entropy=  -0.438186003162E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(  16)  ---------------------------------------



 eigenvalue-minimisations  :  3720
 total energy-change (2. order) : 0.7192776E-03  (-0.7496557E-03)
 number of electron    2497.9999993 magnetization 
 augmentation part      166.5430060 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9303
  2.7399  2.1437  1.3175  1.3175  0.9824  0.8418  0.8418  0.8309  0.5779  0.5779
  0.5224  0.3499  0.4557  0.2596  0.1952

  free energy =  -0.438178407680E+04  energy without entropy=  -0.438188232205E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(  17)  ---------------------------------------



 eigenvalue-minimisations  :  3672
 total energy-change (2. order) :-0.1268575E-04  (-0.1048169E-03)
 number of electron    2497.9999993 magnetization 
 augmentation part      166.5424283 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9689
  2.9698  2.4014  1.3568  1.3568  0.9766  0.9766  0.9540  0.7417  0.7417  0.5724
  0.5724  0.6019  0.4758  0.3499  0.2597  0.1952

  free energy =  -0.438178408949E+04  energy without entropy=  -0.438187633214E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(  18)  ---------------------------------------



 eigenvalue-minimisations  :  3656
 total energy-change (2. order) :-0.1125443E-02  (-0.1051330E-03)
 number of electron    2497.9999993 magnetization 
 augmentation part      166.5396871 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0059
  3.1518  2.4999  1.7273  1.1946  1.1946  1.1658  0.8384  0.8384  0.8619  0.5713
  0.5713  0.6398  0.5201  0.5201  0.3498  0.2596  0.1952

  free energy =  -0.438178521493E+04  energy without entropy=  -0.438187307041E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(  19)  ---------------------------------------



 eigenvalue-minimisations  :  3696
 total energy-change (2. order) :-0.1011072E-02  (-0.1361158E-03)
 number of electron    2497.9999993 magnetization 
 augmentation part      166.5416396 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0058
  3.4334  2.4940  1.6174  1.3024  1.2161  1.2161  0.8622  0.8622  0.8353  0.7199
  0.5800  0.5800  0.5538  0.5137  0.5137  0.3498  0.2596  0.1952

  free energy =  -0.438178622600E+04  energy without entropy=  -0.438187777820E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(  20)  ---------------------------------------



 eigenvalue-minimisations  :  3664
 total energy-change (2. order) :-0.3898177E-03  (-0.2447092E-04)
 number of electron    2497.9999993 magnetization 
 augmentation part      166.5394422 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0884
  4.1162  2.6273  2.0816  1.2641  1.2175  1.2175  0.9383  0.9383  0.9190  0.9190
  0.8218  0.5726  0.5726  0.5836  0.5424  0.5424  0.3498  0.2596  0.1952

  free energy =  -0.438178661582E+04  energy without entropy=  -0.438187497670E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(  21)  ---------------------------------------



 eigenvalue-minimisations  :  3360
 total energy-change (2. order) :-0.5998714E-03  (-0.7571252E-05)
 number of electron    2497.9999993 magnetization 
 augmentation part      166.5397819 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1356
  4.7489  2.6102  2.1227  1.8896  1.1705  1.1705  1.0276  1.0276  0.9036  0.9036
  0.7566  0.7566  0.5719  0.5719  0.6157  0.5303  0.5303  0.3498  0.2596  0.1952

  free energy =  -0.438178721569E+04  energy without entropy=  -0.438187559006E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(  22)  ---------------------------------------



 eigenvalue-minimisations  :  3528
 total energy-change (2. order) :-0.2786774E-03  (-0.7270801E-05)
 number of electron    2497.9999993 magnetization 
 augmentation part      166.5390899 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1306
  4.9655  2.6762  2.1874  1.8230  1.1986  1.1986  1.0657  1.0657  0.8960  0.8960
  0.7564  0.7138  0.7138  0.5725  0.5725  0.5771  0.5296  0.5296  0.3498  0.2596
  0.1952

  free energy =  -0.438178749437E+04  energy without entropy=  -0.438187507766E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(  23)  ---------------------------------------



 eigenvalue-minimisations  :  2496
 total energy-change (2. order) :-0.1190149E-03  (-0.1171723E-05)
 number of electron    2497.9999993 magnetization 
 augmentation part      166.5393476 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1776
  5.0936  2.6752  2.4053  2.1106  1.5030  1.1692  1.1692  1.1326  0.9214  0.9214
  0.8082  0.8082  0.7846  0.7846  0.5721  0.5721  0.6128  0.5288  0.5288  0.3498
  0.1952  0.2596

  free energy =  -0.438178761339E+04  energy without entropy=  -0.438187562340E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(  24)  ---------------------------------------



 eigenvalue-minimisations  :  2584
 total energy-change (2. order) :-0.1664515E-03  (-0.1755215E-05)
 number of electron    2497.9999993 magnetization 
 augmentation part      166.5395434 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2095
  5.4547  3.1586  2.4846  2.0403  1.6772  1.1263  1.1263  1.1330  1.1330  0.8849
  0.8849  0.7937  0.7937  0.7516  0.7516  0.5724  0.5724  0.6142  0.5299  0.5299
  0.3498  0.2596  0.1952

  free energy =  -0.438178777984E+04  energy without entropy=  -0.438187631176E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(  25)  ---------------------------------------



 eigenvalue-minimisations  :  2424
 total energy-change (2. order) :-0.7504891E-04  (-0.6707178E-06)
 number of electron    2497.9999993 magnetization 
 augmentation part      166.5394274 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2207
  5.6441  3.1576  2.4543  2.1785  1.5727  1.2575  1.2575  1.1394  1.1394  0.9513
  0.9513  0.8515  0.8515  0.7802  0.7802  0.5724  0.5724  0.7002  0.6198  0.5300
  0.5300  0.3498  0.2596  0.1952

  free energy =  -0.438178785489E+04  energy without entropy=  -0.438187606050E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(  26)  ---------------------------------------



 eigenvalue-minimisations  :  2352
 total energy-change (2. order) :-0.4202384E-04  (-0.3564465E-06)
 number of electron    2497.9999993 magnetization 
 augmentation part      166.5393702 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2515
  6.0059  3.2511  2.5834  2.2582  1.5848  1.5848  1.1736  1.1736  1.2391  0.9734
  0.9734  1.0060  0.8439  0.8439  0.7601  0.7601  0.5724  0.5724  0.6313  0.6313
  0.5302  0.5302  0.3498  0.2596  0.1952

  free energy =  -0.438178789691E+04  energy without entropy=  -0.438187598638E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(  27)  ---------------------------------------



 eigenvalue-minimisations  :  2376
 total energy-change (2. order) :-0.3326335E-04  (-0.2999825E-06)
 number of electron    2497.9999993 magnetization 
 augmentation part      166.5392927 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2541
  6.0702  3.3898  2.6644  2.0341  2.0341  1.4598  1.4598  1.1042  1.1042  0.9786
  0.9786  0.8670  0.8670  0.8994  0.8994  0.7557  0.7557  0.5724  0.5724  0.3498
  0.6373  0.6373  0.5302  0.5302  0.2596  0.1952

  free energy =  -0.438178793017E+04  energy without entropy=  -0.438187590482E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(  28)  ---------------------------------------



 eigenvalue-minimisations  :  2280
 total energy-change (2. order) :-0.1394629E-04  (-0.1199863E-06)
 number of electron    2497.9999993 magnetization 
 augmentation part      166.5393701 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3063
  6.3343  3.9899  2.6798  2.2125  2.2125  1.4723  1.4723  1.2728  1.2728  1.0021
  1.0021  0.9193  0.9193  0.9246  0.9246  0.7891  0.7891  0.8032  0.5724  0.5724
  0.6332  0.6332  0.5303  0.5303  0.3498  0.1952  0.2596

  free energy =  -0.438178794412E+04  energy without entropy=  -0.438187603118E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(  29)  ---------------------------------------



 eigenvalue-minimisations  :  2328
 total energy-change (2. order) :-0.1530748E-04  (-0.1654403E-06)
 number of electron    2497.9999993 magnetization 
 augmentation part      166.5394199 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3279
  6.6976  4.3254  2.7996  2.4701  1.9199  1.4267  1.4267  1.1766  1.1766  1.3084
  1.1151  1.1151  0.9045  0.9045  0.9773  0.8516  0.8516  0.7354  0.7354  0.5724
  0.5724  0.6267  0.6267  0.5303  0.5303  0.3498  0.1952  0.2596

  free energy =  -0.438178795943E+04  energy without entropy=  -0.438187609568E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    8(  30)  ---------------------------------------



 eigenvalue-minimisations  :  2296
 total energy-change (2. order) :-0.2550747E-05  (-0.4843585E-07)
 number of electron    2497.9999993 magnetization 
 augmentation part      166.5394199 magnetization 

  free energy =  -0.438178796198E+04  energy without entropy=  -0.438187607231E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.9279       2 -56.1715       3 -56.0890       4 -55.8988       5 -55.8850
       6 -56.2991       7 -58.2263       8 -58.3249       9 -56.4038      10 -56.1719
      11 -56.2421      12 -55.9742      13 -56.0302      14 -56.2253      15 -58.8312
      16 -58.6421      17 -55.9688      18 -54.7048      19 -54.4473      20 -55.1225
      21 -55.3139      22 -55.2156      23 -55.2234      24 -55.3246      25 -54.9328
      26 -54.3275      27 -54.6575      28 -54.7642      29 -60.4369      30 -60.1314
      31 -55.9441      32 -56.1716      33 -55.9595      34 -55.6014      35 -55.7343
      36 -56.1700      37 -57.9896      38 -58.5805      39 -56.0995      40 -55.7055
      41 -55.8827      42 -55.7776      43 -55.8848      44 -55.8930      45 -58.1888
      46 -58.6168      47 -56.1778      48 -55.0020      49 -54.5095      50 -55.1027
      51 -55.5831      52 -55.3159      53 -55.1271      54 -55.5459      55 -54.8643
      56 -54.3098      57 -54.5898      58 -55.9208      59 -60.2740      60 -60.5409
      61 -55.9454      62 -56.2242      63 -56.2599      64 -55.9311      65 -56.0211
      66 -56.3111      67 -58.3362      68 -58.6165      69 -56.3507      70 -56.1030
      71 -56.2679      72 -55.9127      73 -55.9177      74 -56.1572      75 -58.5341
      76 -58.2956      77 -56.0035      78 -54.5680      79 -54.1601      80 -55.0956
      81 -55.3192      82 -55.2259      83 -55.3694      84 -55.6654      85 -55.1450
      86 -54.5977      87 -54.9264      88 -56.3077      89 -60.5286      90 -60.4356
      91 -55.6569      92 -55.8407      93 -55.6687      94 -55.4838      95 -55.4766
      96 -55.9192      97 -57.9179      98 -58.9703      99 -55.9731     100 -55.7343
     101 -55.7856     102 -55.5264     103 -55.5276     104 -55.6713     105 -57.9525
     106 -58.6188     107 -55.9976     108 -54.7878     109 -54.8363     110 -54.8735
     111 -55.4607     112 -55.1864     113 -55.3363     114 -55.6394     115 -55.1575
     116 -54.7274     117 -54.8898     118 -56.1381     119 -60.8151     120 -60.3586
     121 -56.0023     122 -56.0883     123 -55.9808     124 -55.9202     125 -55.8997
     126 -56.2430     127 -57.9178     128 -58.3249     129 -56.1967     130 -55.9465
     131 -56.0543     132 -55.8145     133 -55.7972     134 -55.9420     135 -58.0137
     136 -58.1839     137 -56.0743     138 -54.6501     139 -54.3477     140 -55.0565
     141 -55.4324     142 -55.3704     143 -55.4810     144 -55.7518     145 -55.4388
     146 -54.8944     147 -55.4504     148 -56.0521     149 -59.7818     150 -60.5235
     151 -55.6913     152 -55.8298     153 -55.7145     154 -55.5865     155 -55.6117
     156 -55.9928     157 -57.9275     158 -57.9318     159 -56.0484     160 -55.7743
     161 -56.0910     162 -55.6820     163 -55.7615     164 -55.9448     165 -57.6926
     166 -58.2379     167 -56.5317     168 -55.1160     169 -54.5808     170 -55.3306
     171 -55.5354     172 -55.5190     173 -55.3331     174 -55.5136     175 -54.9505
     176 -54.4255     177 -54.8484     178 -56.1262     179 -60.4461     180 -60.4096
     181 -55.9937     182 -56.2466     183 -56.0951     184 -55.9023     185 -55.9330
     186 -56.3633     187 -57.9995     188 -58.4534     189 -56.3400     190 -56.0255
     191 -56.1364     192 -55.9637     193 -55.8577     194 -56.0042     195 -58.0832
     196 -58.4380     197 -56.2273     198 -54.8165     199 -54.6462     200 -55.0733
     201 -55.6080     202 -55.5158     203 -55.6100     204 -55.7300     205 -55.2267
     206 -54.7568     207 -55.0239     208 -56.1998     209 -60.5419     210 -60.4290
     211 -56.0795     212 -56.3069     213 -56.0061     214 -55.9479     215 -55.8718
     216 -56.2732     217 -58.2147     218 -59.2104     219 -56.2640     220 -55.9840
     221 -56.0998     222 -55.8487     223 -55.7784     224 -55.9612     225 -57.8301
     226 -58.3192     227 -56.0954     228 -54.6548     229 -54.5382     230 -54.8615
     231 -55.3712     232 -55.4629     233 -55.4003     234 -55.3222     235 -54.9853
     236 -54.7076     237 -54.9482     238 -56.1214     239 -60.1379     240 -60.2561
     241 -55.5803     242 -55.4988     243 -55.4688     244 -55.4423     245 -55.4223
     246 -55.7533     247 -57.9588     248 -57.9826     249 -55.9818     250 -55.7126
     251 -55.7502     252 -55.5979     253 -55.6604     254 -55.7450     255 -57.7891
     256 -58.6944     257 -55.8851     258 -54.6115     259 -54.3325     260 -54.9004
     261 -55.1813     262 -55.4055     263 -55.7234     264 -55.7057     265 -55.3599
     266 -54.7874     267 -55.3635     268 -56.2303     269 -60.2602     270 -59.6484
     271 -55.8396     272 -55.7511     273 -55.5607     274 -55.7105     275 -55.5810
     276 -55.8400     277 -58.7260     278 -57.9705     279 -55.6283     280 -55.4452
     281 -55.5511     282 -55.3125     283 -55.3045     284 -55.5462     285 -57.3400
     286 -58.4070     287 -55.9002     288 -54.6664     289 -53.8794     290 -55.0613
     291 -55.0371     292 -54.9776     293 -54.9016     294 -55.3231     295 -54.5809
     296 -53.9094     297 -54.3230     298 -55.6386     299 -59.7498     300 -60.2598
     301 -55.6824     302 -55.8293     303 -55.7757     304 -55.5249     305 -55.5864
     306 -55.9963     307 -57.8856     308 -58.7810     309 -56.1637     310 -55.9303
     311 -56.0774     312 -55.8130     313 -55.8440     314 -55.9894     315 -58.0816
     316 -58.0526     317 -55.8973     318 -54.4280     319 -54.0622     320 -54.8006
     321 -55.1394     322 -55.0734     323 -55.1294     324 -55.4090     325 -54.9320
     326 -54.4256     327 -54.5717     328 -56.0481     329 -59.9550     330 -60.0905
     331 -55.7189     332 -55.8479     333 -55.6949     334 -55.6517     335 -55.6098
     336 -55.9716     337 -58.3864     338 -57.8419     339 -55.9148     340 -55.7059
     341 -56.1929     342 -55.5518     343 -55.6789     344 -56.0731     345 -57.8241
     346 -58.4392     347 -56.5099     348 -55.0173     349 -54.5931     350 -55.2199
     351 -55.5142     352 -55.4664     353 -55.2424     354 -55.3605     355 -54.8672
     356 -54.3837     357 -54.7203     358 -55.9805     359 -60.3608     360 -60.3890
     361 -39.1697     362 -38.5898     363 -39.3546     364 -39.2229     365 -39.5254
     366 -38.8324     367 -38.9305     368 -38.2955     369 -38.1435     370 -37.9853
     371 -38.4897     372 -38.3031     373 -38.8870     374 -38.1279     375 -39.1860
     376 -38.7867     377 -39.2240     378 -38.7914     379 -38.6699     380 -38.4088
     381 -37.8927     382 -37.9113     383 -39.1143     384 -37.8590     385 -38.8740
     386 -38.6431     387 -39.2207     388 -39.0757     389 -39.3759     390 -38.6047
     391 -38.6877     392 -37.9769     393 -38.1372     394 -37.7301     395 -38.6598
     396 -38.2275     397 -38.9436     398 -38.3596     399 -39.1308     400 -38.8419
     401 -39.0163     402 -38.3739     403 -38.2993     404 -38.3530     405 -38.0747
     406 -38.0781     407 -38.7451     408 -38.5462     409 -38.8576     410 -38.5823
     411 -39.4136     412 -38.8598     413 -39.3070     414 -38.5405     415 -38.5772
     416 -38.3827     417 -38.0108     418 -38.5162     419 -38.6249     420 -37.8338
     421 -38.6183     422 -38.3487     423 -39.0140     424 -38.5254     425 -39.1062
     426 -38.5547     427 -39.0577     428 -38.3339     429 -38.0280     430 -38.0781
     431 -39.0794     432 -38.7591     433 -39.1421     434 -38.8881     435 -39.6864
     436 -38.7572     437 -39.6170     438 -38.2510     439 -39.7961     440 -37.8047
     441 -37.9606     442 -37.7386     443 -39.1242     444 -38.4892     445 -39.1872
     446 -38.8601     447 -39.4004     448 -39.0375     449 -39.2585     450 -38.3594
     451 -38.3891     452 -37.8827     453 -38.0217     454 -38.3135     455 -39.5209
     456 -38.9903     457 -38.4331     458 -38.2798     459 -39.0458     460 -38.7801
     461 -39.0218     462 -38.2894     463 -36.2644     464 -37.8925     465 -37.8193
     466 -39.0861     467 -39.8314     468 -36.9681     469 -38.5400     470 -38.8108
     471 -38.7898     472 -38.3937     473 -38.7996     474 -38.1809     475 -37.8890
     476 -37.9397     477 -37.8620     478 -37.4572     479 -38.2829     480 -37.8589
     481 -38.7378     482 -38.1260     483 -39.1561     484 -38.8016     485 -39.2778
     486 -38.6874     487 -37.9698     488 -37.6830     489 -37.7287     490 -37.8571
     491 -38.0540     492 -37.6685     493 -38.5519     494 -38.6209     495 -39.2200
     496 -38.4809     497 -39.0171     498 -38.1129     499 -38.8881     500 -38.0650
     501 -37.8796     502 -37.7177     503 -38.7986     504 -38.0622     505 -38.3259
     506 -41.5578     507 -70.3615     508 -70.1674     509 -71.0010     510 -70.7181
     511 -70.5267     512 -70.4405     513 -70.3238     514 -70.4146     515 -70.9652
     516 -70.7329     517 -70.4675     518 -71.7925     519 -70.2320     520 -71.0132
     521 -70.4858     522 -70.7505     523 -70.1171     524 -70.4015     525 -70.3417
     526 -70.4463     527 -70.4653     528 -70.9294     529 -70.3875     530 -72.0712
     531 -77.7744     532 -77.8741     533 -78.4522     534 -78.8814     535 -78.0105
     536 -76.6690     537 -78.2793     538 -77.4111     539 -78.2970     540 -78.3167
     541 -77.5515     542 -78.1055     543 -79.1232     544 -77.2106     545 -78.4834
     546 -77.2579     547 -77.6142     548 -76.7440     549 -77.5111     550 -77.1763
     551 -77.0472     552 -77.3308     553 -77.1426     554 -74.9186     555 -77.9303
     556 -77.6346     557 -77.7490     558 -77.1756     559 -79.3999     560 -77.5211
     561 -77.6332     562 -76.7005     563 -77.5297     564 -77.4738     565 -78.8982
     566 -76.8267     567 -77.2137     568 -78.7444     569 -78.3721     570 -75.7171
     571 -78.8082     572 -77.0856     573 -76.9915     574 -77.1951     575 -76.5883
     576 -78.0571     577 -77.4835     578 -74.0449     579 -81.9276     580 -82.1494
     581 -82.3484     582 -83.2699     583 -82.4039     584 -82.0118     585 -81.9549
     586 -82.5027     587 -83.3266     588 -83.4055     589 -82.2559     590 -80.4858
     591 -82.4782     592 -82.0778     593 -83.1469     594 -83.5206     595 -82.8214
     596 -80.5807     597 -82.1564     598 -82.2420     599 -82.9934     600 -83.6206
     601 -84.0240     602 -79.9407     603 -82.9738     604 -82.1433     605 -83.3074
     606 -83.5324     607 -82.5728     608 -78.5089     609 -81.8281     610 -82.0780
     611 -83.2685     612 -83.0270     613 -82.5072     614 -81.5888     615 -82.4544
     616 -82.5132     617 -82.7885     618 -80.0703     619 -82.7425     620 -83.1631
     621 -82.3106     622 -82.5499     623 -82.4039     624 -82.9550     625 -81.4988
     626 -82.1406     627 -82.2190     628 -81.8414     629 -80.1264     630 -83.8007
     631 -79.0950     632 -82.7588     633 -82.3654     634 -81.4446     635 -83.2876
     636 -83.1125     637 -80.4955     638 -80.2283     639 -81.5630     640 -82.4984
     641 -82.6666     642 -82.9778     643 -80.6234     644 -81.7722     645 -82.1289
     646 -82.3521     647 -82.9915     648 -83.1008     649 -82.1006     650 -82.0285
 
 
 
 E-fermi :  -0.1274     XC(G=0):  -6.2990     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -31.3780      2.00000
      2     -31.3470      2.00000
      3     -31.2955      2.00000
      4     -31.2580      2.00000
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     10     -30.6029      2.00000
     11     -30.5956      2.00000
     12     -30.5438      2.00000
     13     -30.5163      2.00000
     14     -30.4762      2.00000
     15     -30.4277      2.00000
     16     -30.1907      2.00000
     17     -30.0952      2.00000
     18     -30.0708      2.00000
     19     -30.0180      2.00000
     20     -29.7380      2.00000
     21     -29.5627      2.00000
     22     -29.5158      2.00000
     23     -29.3384      2.00000
     24     -29.0844      2.00000
     25     -28.2457      2.00000
     26     -27.8214      2.00000
     27     -27.7145      2.00000
     28     -27.6171      2.00000
     29     -27.5174      2.00000
     30     -27.4945      2.00000
     31     -27.4940      2.00000
     32     -27.4242      2.00000
     33     -27.4036      2.00000
     34     -27.4034      2.00000
     35     -27.2891      2.00000
     36     -27.2876      2.00000
     37     -27.2776      2.00000
     38     -27.2091      2.00000
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     40     -27.1297      2.00000
     41     -27.1188      2.00000
     42     -27.0899      2.00000
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     44     -27.0695      2.00000
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     46     -26.8215      2.00000
     47     -26.7500      2.00000
     48     -26.7118      2.00000
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     50     -26.6537      2.00000
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     55     -26.4574      2.00000
     56     -26.4395      2.00000
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     59     -26.4198      2.00000
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     64     -26.2466      2.00000
     65     -26.2045      2.00000
     66     -26.1837      2.00000
     67     -26.1765      2.00000
     68     -26.1703      2.00000
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     72     -25.8279      2.00000
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     74     -25.6674      2.00000
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     95     -24.3508      2.00000
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    110     -23.6295      2.00000
    111     -23.1436      2.00000
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    120     -20.6517      2.00000
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    128     -19.6960      2.00000
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   1062      -4.1736      2.00000
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   1064      -4.1499      2.00000
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   1069      -4.0777      2.00000
   1070      -4.0502      2.00000
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   1092      -3.6620      2.00000
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   1097      -3.5630      2.00000
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   1100      -3.5383      2.00000
   1101      -3.5173      2.00000
   1102      -3.5050      2.00000
   1103      -3.5025      2.00000
   1104      -3.4872      2.00000
   1105      -3.4752      2.00000
   1106      -3.4453      2.00000
   1107      -3.4301      2.00000
   1108      -3.4149      2.00000
   1109      -3.3969      2.00000
   1110      -3.3887      2.00000
   1111      -3.3819      2.00000
   1112      -3.3782      2.00000
   1113      -3.3664      2.00000
   1114      -3.3613      2.00000
   1115      -3.3570      2.00000
   1116      -3.3470      2.00000
   1117      -3.3354      2.00000
   1118      -3.3020      2.00000
   1119      -3.2957      2.00000
   1120      -3.2786      2.00000
   1121      -3.2751      2.00000
   1122      -3.2702      2.00000
   1123      -3.2479      2.00000
   1124      -3.2411      2.00000
   1125      -3.2330      2.00000
   1126      -3.2161      2.00000
   1127      -3.2051      2.00000
   1128      -3.1946      2.00000
   1129      -3.1886      2.00000
   1130      -3.1781      2.00000
   1131      -3.1734      2.00000
   1132      -3.1461      2.00000
   1133      -3.1189      2.00000
   1134      -3.1092      2.00000
   1135      -3.0871      2.00000
   1136      -3.0695      2.00000
   1137      -3.0598      2.00000
   1138      -3.0410      2.00000
   1139      -3.0193      2.00000
   1140      -2.9976      2.00000
   1141      -2.9784      2.00000
   1142      -2.9685      2.00000
   1143      -2.9631      2.00000
   1144      -2.9573      2.00000
   1145      -2.9176      2.00000
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   1147      -2.8760      2.00000
   1148      -2.8713      2.00000
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   1150      -2.8414      2.00000
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   1152      -2.8263      2.00000
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   1156      -2.7611      2.00000
   1157      -2.7402      2.00000
   1158      -2.7170      2.00000
   1159      -2.7110      2.00000
   1160      -2.6996      2.00000
   1161      -2.6841      2.00000
   1162      -2.6712      2.00000
   1163      -2.6638      2.00000
   1164      -2.6378      2.00000
   1165      -2.6282      2.00000
   1166      -2.6208      2.00000
   1167      -2.5932      2.00000
   1168      -2.5769      2.00000
   1169      -2.5671      2.00000
   1170      -2.5454      2.00000
   1171      -2.5417      2.00000
   1172      -2.5357      2.00000
   1173      -2.5192      2.00000
   1174      -2.5086      2.00000
   1175      -2.4915      2.00000
   1176      -2.4813      2.00000
   1177      -2.4769      2.00000
   1178      -2.4662      2.00000
   1179      -2.4507      2.00000
   1180      -2.4365      2.00000
   1181      -2.4269      2.00000
   1182      -2.4218      2.00000
   1183      -2.4166      2.00000
   1184      -2.4039      2.00000
   1185      -2.3887      2.00000
   1186      -2.3845      2.00000
   1187      -2.3773      2.00000
   1188      -2.3645      2.00000
   1189      -2.3469      2.00000
   1190      -2.3344      2.00000
   1191      -2.3151      2.00000
   1192      -2.3095      2.00000
   1193      -2.2983      2.00000
   1194      -2.2902      2.00000
   1195      -2.2837      2.00000
   1196      -2.2751      2.00000
   1197      -2.2468      2.00000
   1198      -2.2310      2.00000
   1199      -2.2216      2.00000
   1200      -2.1991      2.00000
   1201      -2.1828      2.00000
   1202      -2.1670      2.00000
   1203      -2.1479      2.00000
   1204      -2.1132      2.00000
   1205      -2.0706      2.00000
   1206      -2.0548      2.00000
   1207      -2.0465      2.00000
   1208      -2.0307      2.00000
   1209      -2.0020      2.00000
   1210      -2.0009      2.00000
   1211      -1.9903      2.00000
   1212      -1.9680      2.00000
   1213      -1.9489      2.00000
   1214      -1.9288      2.00000
   1215      -1.8693      2.00000
   1216      -1.8446      2.00000
   1217      -1.8337      2.00000
   1218      -1.7775      2.00000
   1219      -1.6860      2.00000
   1220      -1.6737      2.00000
   1221      -1.6527      2.00000
   1222      -1.6340      2.00000
   1223      -1.5974      2.00000
   1224      -1.5673      2.00000
   1225      -1.5568      2.00000
   1226      -1.5277      2.00000
   1227      -1.4630      2.00000
   1228      -1.4117      2.00000
   1229      -1.4032      2.00000
   1230      -1.3806      2.00000
   1231      -1.3713      2.00000
   1232      -1.2715      2.00000
   1233      -1.2425      2.00000
   1234      -1.1714      2.00000
   1235      -1.1705      2.00000
   1236      -1.0878      2.00000
   1237      -1.0344      2.00000
   1238      -1.0033      2.00000
   1239      -0.9710      2.00000
   1240      -0.9333      2.00000
   1241      -0.8973      2.00000
   1242      -0.8520      2.00000
   1243      -0.8151      2.00001
   1244      -0.7933      2.00003
   1245      -0.5830      2.00589
   1246      -0.5441      2.01209
   1247      -0.3556      2.06849
   1248      -0.2668      1.91759
   1249      -0.2622      1.90086
   1250       0.0052      0.10751
   1251       0.0286      0.03054
   1252       0.0334      0.01797
   1253       0.0393      0.00368
   1254       0.0475     -0.01347
   1255       0.2442     -0.02461
   1256       0.2752     -0.01532
   1257       0.3417     -0.00449
   1258       0.3539     -0.00348
   1259       0.3570     -0.00326
   1260       0.5334     -0.00003
   1261       0.6125     -0.00000
   1262       0.6295     -0.00000
   1263       0.6383     -0.00000
   1264       0.6987     -0.00000
   1265       0.7224     -0.00000
   1266       0.7563     -0.00000
   1267       0.7780     -0.00000
   1268       0.8407     -0.00000
   1269       0.8511     -0.00000
   1270       0.8674     -0.00000
   1271       0.8997     -0.00000
   1272       0.9557     -0.00000
   1273       0.9796     -0.00000
   1274       1.0014     -0.00000
   1275       1.0063     -0.00000
   1276       1.0465     -0.00000
   1277       1.0482     -0.00000
   1278       1.0509     -0.00000
   1279       1.1253     -0.00000
   1280       1.1595     -0.00000
   1281       1.2202     -0.00000
   1282       1.2358     -0.00000
   1283       1.2430     -0.00000
   1284       1.2862     -0.00000
   1285       1.3474     -0.00000
   1286       1.4264     -0.00000
   1287       1.4480     -0.00000
   1288       1.5219     -0.00000
   1289       1.5491     -0.00000
   1290       1.5786     -0.00000
   1291       1.5904     -0.00000
   1292       1.6068     -0.00000
   1293       1.6476     -0.00000
   1294       1.6541     -0.00000
   1295       1.6832     -0.00000
   1296       1.7070     -0.00000
   1297       1.7242     -0.00000
   1298       1.7571     -0.00000
   1299       1.8018     -0.00000
   1300       1.8260     -0.00000
   1301       1.8367     -0.00000
   1302       1.8728     -0.00000
   1303       1.8988     -0.00000
   1304       1.9536     -0.00000
   1305       1.9613     -0.00000
   1306       1.9969     -0.00000
   1307       2.0161     -0.00000
   1308       2.0298     -0.00000
   1309       2.1088     -0.00000
   1310       2.1401     -0.00000
   1311       2.1575     -0.00000
   1312       2.1707     -0.00000
   1313       2.2043     -0.00000
   1314       2.2222     -0.00000
   1315       2.2713     -0.00000
   1316       2.2967     -0.00000
   1317       2.3272     -0.00000
   1318       2.3422     -0.00000
   1319       2.3783     -0.00000
   1320       2.4018     -0.00000
   1321       2.4725     -0.00000
   1322       2.5137     -0.00000
   1323       2.5355     -0.00000
   1324       2.5704     -0.00000
   1325       2.5858     -0.00000
   1326       2.6193     -0.00000
   1327       2.6266     -0.00000
   1328       2.6531     -0.00000
   1329       2.6566     -0.00000
   1330       2.6952     -0.00000
   1331       2.7028     -0.00000
   1332       2.7525     -0.00000
   1333       2.7840     -0.00000
   1334       2.7949     -0.00000
   1335       2.8084     -0.00000
   1336       2.8320     -0.00000
   1337       2.8594     -0.00000
   1338       2.8788     -0.00000
   1339       2.8838     -0.00000
   1340       2.8971     -0.00000
   1341       2.9160     -0.00000
   1342       2.9502     -0.00000
   1343       2.9634     -0.00000
   1344       2.9804     -0.00000
   1345       3.0015     -0.00000
   1346       3.0150     -0.00000
   1347       3.0488     -0.00000
   1348       3.0808     -0.00000
   1349       3.1087     -0.00000
   1350       3.1789     -0.00000
   1351       3.1904     -0.00000
   1352       3.1933     -0.00000
   1353       3.3069     -0.00000
   1354       3.3125     -0.00000
   1355       3.3378     -0.00000
   1356       3.3608     -0.00000
   1357       3.3876     -0.00000
   1358       3.4173     -0.00000
   1359       3.4277     -0.00000
   1360       3.4475     -0.00000
   1361       3.4770     -0.00000
   1362       3.4980     -0.00000
   1363       3.5153     -0.00000
   1364       3.5189     -0.00000
   1365       3.5359     -0.00000
   1366       3.5574     -0.00000
   1367       3.5738     -0.00000
   1368       3.6237     -0.00000
   1369       3.6651     -0.00000
   1370       3.6964     -0.00000
   1371       3.7190     -0.00000
   1372       3.7225     -0.00000
   1373       3.7511     -0.00000
   1374       3.7802     -0.00000
   1375       3.8146     -0.00000
   1376       3.8502     -0.00000
   1377       3.8667     -0.00000
   1378       3.8729     -0.00000
   1379       3.8878     -0.00000
   1380       3.9282     -0.00000
   1381       3.9385     -0.00000
   1382       3.9816     -0.00000
   1383       3.9867     -0.00000
   1384       3.9946     -0.00000
   1385       4.0356     -0.00000
   1386       4.0442     -0.00000
   1387       4.0539     -0.00000
   1388       4.0728     -0.00000
   1389       4.0900     -0.00000
   1390       4.1004     -0.00000
   1391       4.1191     -0.00000
   1392       4.1478     -0.00000
   1393       4.1664     -0.00000
   1394       4.1784     -0.00000
   1395       4.1974     -0.00000
   1396       4.2020     -0.00000
   1397       4.2200     -0.00000
   1398       4.2357     -0.00000
   1399       4.2649     -0.00000
   1400       4.2719     -0.00000
   1401       4.2833     -0.00000
   1402       4.2903     -0.00000
   1403       4.3165     -0.00000
   1404       4.3355     -0.00000
   1405       4.3410     -0.00000
   1406       4.3512     -0.00000
   1407       4.3631     -0.00000
   1408       4.3872     -0.00000
   1409       4.4023     -0.00000
   1410       4.4201     -0.00000
   1411       4.4362     -0.00000
   1412       4.4459     -0.00000
   1413       4.4726     -0.00000
   1414       4.4922     -0.00000
   1415       4.5062     -0.00000
   1416       4.5076     -0.00000
   1417       4.5326     -0.00000
   1418       4.5488     -0.00000
   1419       4.5719     -0.00000
   1420       4.5816     -0.00000
   1421       4.5898     -0.00000
   1422       4.5937     -0.00000
   1423       4.6112     -0.00000
   1424       4.6222     -0.00000
   1425       4.6305     -0.00000
   1426       4.6553     -0.00000
   1427       4.6701     -0.00000
   1428       4.6820     -0.00000
   1429       4.6916     -0.00000
   1430       4.6984     -0.00000
   1431       4.7253     -0.00000
   1432       4.7286     -0.00000
   1433       4.7377     -0.00000
   1434       4.7424     -0.00000
   1435       4.7543     -0.00000
   1436       4.7650     -0.00000
   1437       4.7775     -0.00000
   1438       4.7891     -0.00000
   1439       4.8070     -0.00000
   1440       4.8264     -0.00000
   1441       4.8383     -0.00000
   1442       4.8491     -0.00000
   1443       4.8650     -0.00000
   1444       4.8714     -0.00000
   1445       4.8760     -0.00000
   1446       4.9027     -0.00000
   1447       4.9101     -0.00000
   1448       4.9167     -0.00000
   1449       4.9278     -0.00000
   1450       4.9418     -0.00000
   1451       4.9458     -0.00000
   1452       4.9630     -0.00000
   1453       4.9840     -0.00000
   1454       4.9981     -0.00000
   1455       5.0069     -0.00000
   1456       5.0150     -0.00000
   1457       5.0334     -0.00000
   1458       5.0452     -0.00000
   1459       5.0636     -0.00000
   1460       5.0736     -0.00000
   1461       5.0887     -0.00000
   1462       5.0967     -0.00000
   1463       5.1165     -0.00000
   1464       5.1205     -0.00000
   1465       5.1399     -0.00000
   1466       5.1523     -0.00000
   1467       5.1642     -0.00000
   1468       5.1910     -0.00000
   1469       5.1949     -0.00000
   1470       5.2123      0.00000
   1471       5.2216      0.00000
   1472       5.2371      0.00000
   1473       5.2520      0.00000
   1474       5.2591      0.00000
   1475       5.2730      0.00000
   1476       5.2876      0.00000
   1477       5.3024      0.00000
   1478       5.3073      0.00000
   1479       5.3214      0.00000
   1480       5.3422      0.00000
   1481       5.3476      0.00000
   1482       5.3660      0.00000
   1483       5.3823      0.00000
   1484       5.3902      0.00000
   1485       5.3969      0.00000
   1486       5.4146      0.00000
   1487       5.4240      0.00000
   1488       5.4331      0.00000
   1489       5.4402      0.00000
   1490       5.4686      0.00000
   1491       5.4744      0.00000
   1492       5.5015      0.00000
   1493       5.5197      0.00000
   1494       5.5269      0.00000
   1495       5.5379      0.00000
   1496       5.5457      0.00000
   1497       5.5657      0.00000
   1498       5.5795      0.00000
   1499       5.5856      0.00000
   1500       5.6016      0.00000
   1501       5.6088      0.00000
   1502       5.6158      0.00000
   1503       5.6354      0.00000
   1504       5.6405      0.00000
   1505       5.6434      0.00000
   1506       5.6585      0.00000
   1507       5.6677      0.00000
   1508       5.6727      0.00000
   1509       5.6810      0.00000
   1510       5.6944      0.00000
   1511       5.7095      0.00000
   1512       5.7380      0.00000
   1513       5.7461      0.00000
   1514       5.7534      0.00000
   1515       5.7588      0.00000
   1516       5.7627      0.00000
   1517       5.7692      0.00000
   1518       5.7871      0.00000
   1519       5.7932      0.00000
   1520       5.7989      0.00000
   1521       5.8105      0.00000
   1522       5.8177      0.00000
   1523       5.8322      0.00000
   1524       5.8496      0.00000
   1525       5.8503      0.00000
   1526       5.8627      0.00000
   1527       5.8698      0.00000
   1528       5.8758      0.00000
   1529       5.8887      0.00000
   1530       5.9017      0.00000
   1531       5.9078      0.00000
   1532       5.9138      0.00000
   1533       5.9256      0.00000
   1534       5.9322      0.00000
   1535       5.9499      0.00000
   1536       5.9614      0.00000
   1537       5.9650      0.00000
   1538       5.9730      0.00000
   1539       5.9853      0.00000
   1540       5.9934      0.00000
   1541       5.9982      0.00000
   1542       6.0008      0.00000
   1543       6.0100      0.00000
   1544       6.0213      0.00000
   1545       6.0297      0.00000
   1546       6.0365      0.00000
   1547       6.0450      0.00000
   1548       6.0581      0.00000
   1549       6.0636      0.00000
   1550       6.0730      0.00000
   1551       6.0837      0.00000
   1552       6.0963      0.00000
   1553       6.1116      0.00000
   1554       6.1142      0.00000
   1555       6.1206      0.00000
   1556       6.1310      0.00000
   1557       6.1367      0.00000
   1558       6.1455      0.00000
   1559       6.1510      0.00000
   1560       6.1635      0.00000
   1561       6.1740      0.00000
   1562       6.1824      0.00000
   1563       6.1921      0.00000
   1564       6.2022      0.00000
   1565       6.2059      0.00000
   1566       6.2164      0.00000
   1567       6.2224      0.00000
   1568       6.2346      0.00000
   1569       6.2543      0.00000
   1570       6.2610      0.00000
   1571       6.2635      0.00000
   1572       6.2768      0.00000
   1573       6.2826      0.00000
   1574       6.2847      0.00000
   1575       6.2986      0.00000
   1576       6.3220      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.081  13.402  -0.000   0.000  -0.000   0.000  -0.001   0.001
 13.402  17.818  -0.000   0.000  -0.000   0.001  -0.001   0.001
 -0.000  -0.000  -4.228   0.002  -0.001   8.269  -0.004   0.001
  0.000   0.000   0.002  -4.227   0.001  -0.004   8.267  -0.001
 -0.000  -0.000  -0.001   0.001  -4.220   0.001  -0.001   8.259
  0.000   0.001   8.269  -0.004   0.001 -18.302   0.006  -0.001
 -0.001  -0.001  -0.004   8.267  -0.001   0.006 -18.298   0.001
  0.001   0.001   0.001  -0.001   8.259  -0.001   0.001 -18.292
 total augmentation occupancy for first ion, spin component:           1
  8.396  -3.782   0.149   0.017  -0.015   0.017   0.006  -0.003
 -3.782   1.783  -0.094  -0.025   0.009  -0.007  -0.004   0.002
  0.149  -0.094   1.808  -0.060   0.015   0.171  -0.010   0.003
  0.017  -0.025  -0.060   1.842  -0.093  -0.010   0.172  -0.014
 -0.015   0.009   0.015  -0.093   1.233   0.003  -0.014   0.080
  0.017  -0.007   0.171  -0.010   0.003   0.018  -0.001   0.000
  0.006  -0.004  -0.010   0.172  -0.014  -0.001   0.017  -0.002
 -0.003   0.002   0.003  -0.014   0.080   0.000  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -59104.43907124055.01472 48141.20040-13154.53183  4872.57262 32895.38442
  Hartree -3988.83157151740.98310 85595.66567-13469.50256  3331.48855 27225.23411
  E(xc)  -10805.52330-10677.21055-10712.39833     2.14108     6.76985    27.78244
  Local   29826.36179************************ 26576.29377 -8364.69724-59489.56483
  n-local -5948.29856 -6008.81710 -6140.79731    16.74771    34.93598   -52.91467
  augment  1501.92370  1531.48459  1479.42743     5.61144    17.47816    -9.53407
  Kinetic 46136.61459 43542.95042 44315.84708   -63.30523  -101.86518  -530.47498
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      525.6662927   -172.8440079    715.7881170    -86.5456062   -203.3172544     65.9124261
  in kB       87.6590619    -28.8231218    119.3633979    -14.4321726    -33.9047796     10.9914246
  external PRESSURE =      59.3997794 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.338E+03 -.137E+03 0.241E+03   0.338E+03 0.137E+03 -.241E+03   -.326E-01 0.932E+00 0.138E+01   0.303E-05 -.254E-04 0.527E-04
   -.309E+03 -.160E+03 0.453E+02   0.310E+03 0.162E+03 -.453E+02   0.182E+00 0.118E+01 -.121E+01   -.172E-04 0.440E-05 0.320E-04
   -.259E+03 -.135E+03 0.287E+01   0.260E+03 0.135E+03 -.140E+01   -.153E+00 -.169E+01 -.194E+01   -.259E-04 -.940E-05 0.588E-04
   -.302E+03 -.131E+03 0.358E+03   0.302E+03 0.132E+03 -.360E+03   0.194E+00 0.715E+00 0.121E+01   -.199E-04 -.782E-04 0.156E-03
   -.249E+03 -.148E+03 0.327E+03   0.249E+03 0.147E+03 -.328E+03   -.283E+00 -.189E+01 0.139E+01   -.559E-04 -.100E-03 0.201E-03
   -.213E+03 -.125E+03 0.174E+03   0.213E+03 0.125E+03 -.174E+03   0.461E+00 -.243E+00 0.331E+00   -.382E-04 -.507E-04 0.110E-03
   -.354E+03 -.172E+03 0.112E+03   0.352E+03 0.186E+03 -.941E+02   0.660E+00 -.367E+01 -.479E+00   0.451E-04 -.235E-04 0.898E-05
   -.296E+03 -.102E+03 0.462E+02   0.301E+03 0.103E+03 -.655E+02   -.131E+00 -.261E+01 0.183E+01   -.181E-04 0.347E-04 0.238E-04
   -.156E+03 -.394E+01 0.204E+03   0.156E+03 0.413E+01 -.204E+03   -.404E-02 0.274E+00 0.407E+00   -.462E-04 -.375E-04 0.131E-03
   -.144E+03 0.869E+02 0.808E+02   0.144E+03 -.869E+02 -.797E+02   0.362E+00 0.166E+01 -.818E+00   -.307E-04 -.228E-04 0.834E-04
   -.162E+03 0.147E+03 0.155E+03   0.162E+03 -.148E+03 -.155E+03   0.869E+00 -.767E+00 -.135E+01   -.423E-04 -.666E-05 0.756E-04
   -.166E+03 -.812E+01 0.345E+03   0.167E+03 0.946E+01 -.345E+03   -.186E+00 0.162E+01 0.217E+01   -.837E-04 -.325E-04 0.256E-03
   -.168E+03 -.522E+01 0.382E+03   0.168E+03 0.458E+01 -.384E+03   -.153E+00 -.106E+01 0.142E+01   -.996E-04 -.501E-05 0.248E-03
   -.188E+03 0.710E+02 0.321E+03   0.188E+03 -.723E+02 -.321E+03   -.601E+00 0.260E+00 0.638E+00   -.768E-04 0.107E-04 0.121E-03
   -.146E+03 0.190E+03 0.255E+03   0.139E+03 -.214E+03 -.241E+03   0.224E+01 0.473E+01 -.980E-01   -.669E-04 0.216E-04 0.746E-04
   -.216E+03 0.134E+03 0.160E+03   0.223E+03 -.126E+03 -.190E+03   0.251E+00 0.171E+01 0.282E+01   -.324E-04 -.296E-04 0.580E-04
   -.198E+03 0.110E+03 0.392E+02   0.199E+03 -.105E+03 -.363E+02   0.123E+00 -.332E+01 -.321E+01   -.327E-04 -.500E-04 -.809E-05
   -.111E+03 0.214E+03 -.205E+03   0.111E+03 -.213E+03 0.208E+03   0.101E+01 0.163E+01 -.276E-01   -.248E-04 -.490E-04 -.195E-04
   -.800E+02 0.181E+03 -.207E+03   0.803E+02 -.182E+03 0.206E+03   -.437E-02 -.106E+01 -.443E+01   -.216E-04 -.286E-04 -.857E-05
   -.179E+03 0.142E+03 0.181E+03   0.181E+03 -.141E+03 -.183E+03   -.817E+00 -.764E+00 0.212E+01   -.236E-04 -.373E-04 -.139E-04
   -.116E+03 0.126E+03 -.433E+01   0.115E+03 -.130E+03 0.446E+01   0.153E+01 0.946E+00 -.199E+01   -.133E-04 -.342E-04 -.971E-05
   -.914E+02 0.524E+02 -.167E+03   0.912E+02 -.523E+02 0.170E+03   0.512E+00 -.232E+00 0.511E+00   -.138E-04 -.198E-04 0.131E-04
   -.106E+03 -.281E+02 -.225E+03   0.106E+03 0.281E+02 0.224E+03   0.178E+00 -.206E+00 0.316E+00   -.392E-05 0.101E-04 0.384E-04
   -.687E+02 -.887E+02 -.309E+03   0.696E+02 0.904E+02 0.308E+03   -.880E+00 -.163E+01 0.120E+01   0.131E-04 0.345E-04 0.141E-05
   -.372E+02 -.157E+03 -.412E+03   0.370E+02 0.157E+03 0.414E+03   0.902E-01 -.439E+00 -.645E+00   0.417E-04 0.721E-04 0.630E-05
   -.167E+03 -.176E+03 -.220E+03   0.169E+03 0.177E+03 0.219E+03   -.819E+00 0.325E+00 0.380E+01   -.674E-05 0.236E-04 0.668E-04
   -.129E+03 -.313E+03 -.240E+03   0.128E+03 0.313E+03 0.240E+03   -.319E+00 -.173E+01 0.100E+01   0.760E-05 0.731E-04 0.944E-04
   -.690E+02 -.267E+03 -.350E+03   0.694E+02 0.267E+03 0.350E+03   -.254E-01 -.881E+00 -.582E+00   0.450E-04 0.104E-03 0.713E-04
   -.953E+02 -.248E+02 -.259E+03   0.104E+03 0.339E+02 0.251E+03   -.592E+01 -.875E+01 0.457E+01   -.100E-04 0.223E-04 -.126E-03
   -.108E+03 0.144E+03 0.842E+01   0.104E+03 -.153E+03 -.339E+01   0.419E+01 0.114E+02 -.508E+01   0.154E-04 -.369E-04 -.354E-04
   -.163E+03 -.614E+02 -.647E+02   0.164E+03 0.638E+02 0.654E+02   0.799E-01 0.588E+00 -.238E+01   0.300E-04 0.945E-05 0.113E-04
   -.101E+03 -.166E+03 0.865E+02   0.101E+03 0.167E+03 -.852E+02   0.281E+00 -.345E+00 0.701E+00   0.191E-04 -.138E-04 0.382E-04
   -.143E+03 -.147E+03 0.137E+03   0.143E+03 0.148E+03 -.138E+03   -.741E-01 -.160E+01 0.246E+00   0.337E-04 -.316E-04 0.462E-04
   -.293E+03 -.463E+01 -.161E+03   0.292E+03 0.371E+01 0.165E+03   0.634E+00 0.143E+01 -.142E+01   0.709E-04 0.836E-05 -.203E-06
   -.298E+03 -.562E+02 -.186E+03   0.298E+03 0.552E+02 0.186E+03   0.423E+00 -.973E+00 -.262E+01   0.818E-04 -.136E-04 0.475E-06
   -.223E+03 -.549E+02 -.252E+02   0.222E+03 0.545E+02 0.255E+02   0.308E+00 -.293E+00 -.520E+00   0.587E-04 -.276E-04 0.245E-04
   -.655E+02 -.703E+02 -.210E+02   0.650E+02 0.720E+02 0.215E+02   -.341E+00 -.527E+01 -.249E+01   0.373E-05 0.351E-04 0.129E-04
   -.212E+02 -.135E+03 0.449E+02   0.181E+02 0.130E+03 -.269E+02   0.118E+00 -.182E+01 -.373E+01   0.635E-05 -.468E-05 0.492E-04
   -.193E+03 0.551E+02 -.426E+02   0.193E+03 -.546E+02 0.425E+02   -.385E-01 0.287E+00 -.490E+00   0.583E-04 -.257E-04 0.193E-04
   -.759E+02 0.829E+02 0.151E+03   0.760E+02 -.829E+02 -.152E+03   -.310E+00 0.124E+01 0.142E+01   0.383E-04 -.206E-04 0.391E-04
   0.667E+01 0.954E+02 0.887E+02   -.714E+01 -.957E+02 -.902E+02   0.113E+00 -.141E+01 0.124E+01   0.349E-04 -.249E-04 0.118E-04
   -.219E+03 0.724E+02 -.253E+03   0.219E+03 -.714E+02 0.254E+03   0.440E+00 0.211E+01 -.126E+01   0.660E-04 -.296E-04 -.160E-04
   -.160E+03 0.620E+02 -.318E+03   0.160E+03 -.637E+02 0.320E+03   -.602E-01 -.718E+00 -.153E+01   0.512E-04 -.381E-04 -.311E-04
   -.596E+02 0.865E+02 -.178E+03   0.594E+02 -.886E+02 0.178E+03   -.120E-01 0.297E+00 -.144E+01   0.406E-04 -.382E-04 -.101E-04
   -.218E+02 0.132E+03 -.929E+02   0.227E+02 -.140E+03 0.854E+02   0.718E-02 0.518E+01 0.240E+00   0.297E-04 -.463E-04 -.141E-04
   0.621E+02 0.913E+02 0.574E+02   -.672E+02 -.933E+02 -.305E+02   -.723E+00 0.228E+01 -.128E+01   0.126E-04 -.217E-04 -.980E-05
   0.920E+02 0.590E+02 0.987E+02   -.914E+02 -.540E+02 -.100E+03   -.141E+01 -.453E+01 0.143E+01   0.209E-05 -.568E-04 -.151E-04
   0.331E+02 0.146E+03 0.303E+03   -.329E+02 -.145E+03 -.305E+03   -.297E+00 0.100E+01 0.195E+01   -.565E-05 -.465E-04 -.163E-04
   -.182E+02 0.170E+03 0.238E+03   0.187E+02 -.170E+03 -.239E+03   -.312E+01 -.178E+01 0.386E+01   0.191E-05 -.319E-04 -.260E-04
   0.103E+03 0.894E+02 -.777E+02   -.104E+03 -.894E+02 0.810E+02   -.446E+00 0.393E+00 -.241E+01   0.398E-05 -.421E-04 -.869E-05
   0.703E+02 0.680E+02 -.981E+01   -.701E+02 -.700E+02 0.879E+01   -.806E+00 0.634E+00 0.240E+01   -.288E-05 -.274E-04 -.885E-05
   0.509E+02 0.541E+02 0.107E+03   -.508E+02 -.532E+02 -.109E+03   0.689E+00 -.694E+00 0.726E+00   -.560E-05 -.210E-04 -.252E-04
   -.105E+03 -.334E+02 0.432E+02   0.105E+03 0.334E+02 -.423E+02   0.107E+01 -.483E-01 0.284E+00   0.185E-05 0.267E-05 -.370E-04
   -.317E+03 -.657E+02 0.142E+03   0.318E+03 0.679E+02 -.141E+03   -.211E+01 -.104E+01 -.320E+01   0.526E-04 0.149E-04 -.634E-04
   -.352E+03 -.962E+02 0.194E+03   0.352E+03 0.963E+02 -.196E+03   0.995E+00 -.618E+00 0.236E+01   0.637E-04 0.250E-04 -.693E-04
   -.114E+03 -.189E+03 -.116E+03   0.114E+03 0.190E+03 0.115E+03   0.938E+00 0.219E+01 -.438E+01   -.956E-05 0.308E-04 -.149E-04
   -.165E+03 -.157E+03 -.196E+03   0.165E+03 0.156E+03 0.199E+03   0.472E+00 -.150E+01 -.151E+01   -.827E-05 0.591E-04 -.872E-05
   -.269E+03 -.659E+02 0.188E+02   0.269E+03 0.604E+02 -.177E+02   0.110E+01 0.455E+01 -.197E+01   0.170E-04 0.509E-04 -.379E-04
   -.229E+03 0.118E+02 0.151E+03   0.223E+03 -.817E+01 -.137E+03   0.510E+01 -.637E+01 -.971E+01   0.108E-03 -.270E-05 -.760E-04
   -.396E+02 0.297E+02 -.406E+02   0.454E+02 -.360E+02 0.279E+02   -.357E+01 0.736E+01 0.853E+01   0.405E-04 0.178E-04 0.373E-04
   -.494E+03 -.983E+02 0.806E+02   0.495E+03 0.991E+02 -.809E+02   -.473E+00 0.219E+01 0.185E+01   -.246E-03 -.897E-05 -.256E-04
   -.469E+03 -.128E+03 -.765E+02   0.470E+03 0.129E+03 0.750E+02   0.136E+01 0.564E+00 -.655E+00   -.278E-03 -.325E-04 -.937E-04
   -.419E+03 -.106E+03 -.113E+03   0.420E+03 0.107E+03 0.115E+03   -.873E+00 -.121E+01 -.136E+01   -.314E-03 -.326E-04 -.105E-03
   -.392E+03 -.893E+02 0.177E+03   0.392E+03 0.893E+02 -.178E+03   0.608E+00 0.290E-02 0.152E+01   -.216E-03 -.184E-04 0.249E-04
   -.324E+03 -.122E+03 0.139E+03   0.324E+03 0.121E+03 -.140E+03   -.444E+00 -.120E+01 0.143E+01   -.227E-03 -.491E-04 -.117E-05
   -.323E+03 -.909E+02 0.249E+02   0.323E+03 0.900E+02 -.256E+02   0.280E+00 -.137E+01 0.324E+00   -.265E-03 -.440E-04 -.694E-04
   -.531E+03 -.130E+03 -.679E+02   0.533E+03 0.147E+03 0.905E+02   -.329E+00 -.273E+01 -.430E+00   -.159E-03 0.761E-04 -.419E-04
   -.499E+03 -.730E+02 -.168E+02   0.503E+03 0.744E+02 -.351E+01   -.946E+00 -.283E+01 0.283E+01   -.237E-03 0.318E-04 -.812E-04
   -.264E+03 0.184E+02 0.421E+02   0.264E+03 -.175E+02 -.418E+02   0.117E+00 0.121E+00 0.445E+00   -.237E-03 -.195E-04 -.350E-04
   -.306E+03 0.109E+03 -.390E+02   0.307E+03 -.110E+03 0.402E+02   0.199E+00 0.193E+01 -.106E+01   -.246E-03 0.462E-04 -.264E-04
   -.324E+03 0.154E+03 0.348E+02   0.324E+03 -.156E+03 -.352E+02   0.380E+00 0.195E+00 -.111E+01   -.184E-03 0.546E-04 0.169E-04
   -.223E+03 0.205E+02 0.141E+03   0.223E+03 -.193E+02 -.142E+03   -.286E+00 0.138E+01 0.207E+01   -.180E-03 -.132E-04 0.123E-04
   -.230E+03 0.843E+00 0.161E+03   0.231E+03 -.107E+01 -.163E+03   -.209E+00 -.103E+01 0.145E+01   -.149E-03 -.323E-05 0.385E-04
   -.303E+03 0.684E+02 0.146E+03   0.304E+03 -.701E+02 -.147E+03   -.474E+00 0.163E+00 0.866E+00   -.147E-03 0.240E-04 0.451E-04
   -.303E+03 0.135E+03 0.104E+03   0.301E+03 -.149E+03 -.963E+02   0.159E+01 0.505E+01 0.248E+00   -.735E-04 -.151E-04 0.409E-04
   -.369E+03 0.138E+03 0.119E+03   0.372E+03 -.134E+03 -.134E+03   -.687E-01 0.227E+01 0.314E+01   -.122E-03 0.235E-04 0.347E-04
   -.353E+03 0.956E+02 0.102E+03   0.353E+03 -.908E+02 -.978E+02   0.384E+00 -.351E+01 -.343E+01   0.954E-05 -.217E-04 0.439E-04
   -.210E+03 0.218E+03 0.291E+02   0.210E+03 -.218E+03 -.263E+02   0.286E+00 0.205E+01 -.175E+01   0.867E-05 -.267E-04 0.259E-04
   -.113E+03 0.140E+03 0.103E+03   0.113E+03 -.141E+03 -.103E+03   0.664E+00 -.605E+00 -.555E+01   0.212E-04 -.187E-04 0.198E-04
   -.392E+03 0.104E+03 0.199E+03   0.394E+03 -.104E+03 -.201E+03   -.410E+00 -.107E+01 0.145E+01   0.533E-04 -.236E-04 0.677E-04
   -.328E+03 0.103E+03 0.118E+03   0.328E+03 -.106E+03 -.118E+03   0.164E+01 0.933E+00 -.271E+01   0.704E-04 -.357E-04 0.524E-04
   -.206E+03 0.331E+02 0.876E+02   0.206E+03 -.331E+02 -.852E+02   0.302E+00 0.670E+00 0.471E+00   0.506E-04 -.133E-04 0.368E-04
   -.172E+03 0.124E+01 0.121E+03   0.172E+03 -.178E+01 -.123E+03   -.298E+00 0.276E+00 0.118E+01   0.335E-04 0.100E-04 0.358E-04
   -.275E+02 -.627E+02 0.790E+02   0.290E+02 0.648E+02 -.824E+02   -.282E+01 -.246E+01 0.267E+01   -.459E-05 0.236E-04 0.824E-05
   0.323E+02 -.811E+02 -.519E+02   -.335E+02 0.821E+02 0.570E+02   0.280E+00 0.164E+01 -.123E+01   -.159E-04 0.348E-04 0.133E-04
   -.266E+03 -.136E+03 0.146E+03   0.267E+03 0.137E+03 -.147E+03   -.235E+01 0.542E+00 0.405E+01   0.365E-04 -.423E-05 0.645E-04
   -.107E+03 -.241E+03 0.200E+03   0.106E+03 0.241E+03 -.202E+03   0.819E+00 -.117E+01 0.237E+01   0.146E-04 -.594E-06 0.605E-04
   0.754E+01 -.937E+02 0.992E+02   -.752E+01 0.883E+02 -.105E+03   -.246E+00 0.356E+01 0.300E+01   0.122E-05 0.386E-04 0.417E-04
   0.742E+02 -.112E+03 0.683E+02   -.685E+02 0.119E+03 -.769E+02   -.243E+01 -.127E+02 0.570E+01   -.593E-04 0.685E-05 0.145E-04
   -.378E+03 0.160E+03 0.649E+02   0.376E+03 -.173E+03 -.558E+02   0.251E+01 0.117E+02 -.495E+01   0.897E-04 -.749E-04 -.826E-04
   -.167E+03 -.699E+02 -.124E+03   0.166E+03 0.705E+02 0.125E+03   0.375E-01 0.736E+00 -.183E+01   0.197E-04 0.219E-04 -.490E-04
   -.134E+03 -.191E+03 0.213E+02   0.133E+03 0.192E+03 -.218E+02   0.672E+00 0.848E+00 0.200E+01   0.133E-04 -.200E-04 -.305E-04
   -.163E+03 -.165E+03 0.808E+02   0.163E+03 0.165E+03 -.817E+02   -.393E+00 -.205E+01 0.569E+00   -.110E-04 -.479E-04 -.733E-05
   -.260E+03 0.778E+00 -.215E+03   0.260E+03 -.691E-01 0.218E+03   0.117E+00 0.169E+01 -.136E+01   -.485E-05 0.240E-04 -.624E-04
   -.257E+03 -.399E+02 -.169E+03   0.257E+03 0.381E+02 0.168E+03   0.509E+00 -.142E+01 -.233E+01   -.278E-04 0.158E-04 -.423E-04
   -.212E+03 -.745E+02 -.216E+02   0.212E+03 0.740E+02 0.215E+02   0.267E-01 0.603E-01 -.374E+00   -.260E-04 -.214E-04 -.148E-04
   -.935E+02 -.115E+03 -.820E+02   0.945E+02 0.127E+03 0.779E+02   -.530E+00 -.404E+01 -.224E+01   0.358E-04 0.667E-04 -.448E-04
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   0.174E+03 0.408E+03 0.292E+03   -.209E+03 -.442E+03 -.273E+03   0.342E+02 0.325E+02 -.180E+02   -.180E-04 0.494E-04 -.251E-04
 -----------------------------------------------------------------------------------------------
   -.449E+02 0.112E+03 -.752E+02   0.180E-10 -.409E-11 -.148E-11   0.449E+02 -.112E+03 0.752E+02   -.622E-02 0.466E-02 0.203E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.64673      3.10501      1.38917         0.277457      1.369270      1.487111
     12.45911      3.53560      2.73694         1.106476      2.509857     -1.214541
     12.49913      5.00024      3.01448         0.454882     -1.909870     -0.476541
     12.80212      4.04635      0.38657         0.545336      1.956916     -1.038172
     12.85667      5.48258      0.66641        -0.260308     -3.065947      0.647359
     12.69852      5.97147      1.97873         0.306934     -0.824721      0.195965
     12.63785      1.63878      1.25804        -2.244137     10.729086     17.135048
     12.20392      2.38378      3.65684         4.469549     -1.217181    -17.427755
     12.82133      7.44747      2.20061         0.153757      0.468907      0.406436
     12.70872      8.06985      3.48051         0.629606      1.642667      0.267546
     12.94728      9.50403      3.68215         0.554767     -1.821000     -1.081112
     13.13151      8.28348      1.10608         0.179756      2.953801      1.937987
     13.32954      9.72454      1.29621        -0.084420     -1.697041     -0.869087
     13.26192     10.30449      2.56386        -0.491088     -1.038483      0.168238
     13.41080     11.75330      2.88817        -4.810950    -19.263436     13.867305
     12.95485     10.27098      5.01303         6.759897      9.956286    -27.519506
     13.41513     12.82398      5.34785         1.519055      1.698028     -0.281652
     13.08532     12.73868      6.65529         0.949716      2.651937      3.680747
     13.22385     13.92922      7.51140         0.232701     -2.675220     -4.858744
     13.74494     14.16080      4.87990         0.716667     -0.418854      0.169325
     13.80750     15.30548      5.72345         0.393680     -2.948420     -1.861646
     13.53210     15.20165      7.06167         0.309822     -0.191827      2.937641
     13.62431     16.29879      8.08139         0.636571     -0.158735     -1.050622
     13.19427     16.19544      9.40122        -0.039163      0.008239      0.645769
     13.35152     17.25475     10.28046        -0.153652      0.360331      1.363674
     14.16712     17.53370      7.73394         0.354385      1.405684      2.449914
     14.31259     18.65343      8.57675        -0.619742     -2.207086      0.896881
     13.90742     18.47230      9.90104         0.344080      0.017221     -0.880014
     12.54007     14.97409      9.94655         2.761516      0.364078     -3.167486
     14.26057     16.51249      5.12472        -0.037571      1.880861     -0.057912
      9.72442      3.77477      4.81526         0.268407      2.987259     -1.719320
      9.95523      4.73796      3.77734        -0.451534      0.929776      2.026280
     10.05580      6.11629      4.16491        -0.265897     -0.606860     -0.967956
      9.57457      4.20297      6.10070        -0.291078      0.515948      3.079419
      9.67549      5.58207      6.50281         0.209591     -1.960491     -2.272150
      9.95375      6.55815      5.52002        -0.148719     -0.686128     -0.236055
      9.65657      2.47605      4.29303        -0.849823     -3.568447     -1.969037
     10.12679      4.09796      2.42983        -3.068602     -6.956317     14.354345
     10.10789      7.97117      5.92079        -0.161863      0.835259     -0.540042
     10.40669      8.97607      4.95263        -0.252957      1.317717     -0.329705
     10.49373     10.36439      5.28423        -0.356666     -1.688777     -0.298135
      9.91313      8.39046      7.24125         0.491734      3.150526     -0.227872
     10.04830      9.81919      7.59417        -0.499713     -2.437599      0.409564
     10.33357     10.76450      6.63114        -0.240109     -1.840294     -1.558708
     10.50688     12.17073      6.75917         0.854812     -2.180865     -7.228596
     10.98795     11.55021      4.34360        -5.816604      0.287551     25.674338
     11.12275     14.02777      4.96981        -0.834658      0.454011      0.125881
     11.55950     14.37461      3.68972        -0.076563      2.124732     -0.395106
     11.87921     15.74553      3.39937        -2.579477     -2.320347      2.849659
     11.05238     15.10719      5.88712        -1.071649      0.419933      0.875339
     11.23788     16.48130      5.53157        -0.602412     -1.428132      1.385141
     11.60372     16.83462      4.23734         0.826376      0.190274     -1.279000
     11.97282     18.22381      3.79865         0.387057     -0.085946      1.119335
     12.51826     18.58840      2.55766        -1.040489      1.182606     -1.432142
     12.49473     19.97794      2.17575         1.148445     -0.587270      0.038099
     11.84035     19.27695      4.70382         1.175789      3.688963     -5.229054
     11.96915     20.68951      4.37425         0.009978     -2.732963      1.617746
     12.27235     21.06746      3.09347         1.061525     -0.870691     -0.816241
     12.69328     17.56480      1.38302        -1.440491     -2.734570      4.003922
     10.99173     17.48998      6.66021         2.272112      1.088921     -4.124253
      9.91333      7.08734     14.55370         0.641225      2.965002      1.539993
      9.70885      7.56626     15.90426         2.579233      1.998086     -2.101871
      9.84649      9.00427     16.16794         0.212911     -0.787417      0.589855
     10.04957      8.08428     13.53571         0.856060      0.007439     -0.100753
     10.15154      9.49636     13.82333        -0.250690     -1.508056      1.043741
     10.03168     10.02074     15.16124         0.448206     -2.344655     -0.347176
      9.74535      5.62718     14.46487         1.964905     13.469150     22.170052
      9.49194      6.45127     16.84554         3.876211     -1.403186    -17.481440
     10.15303     11.46315     15.44975         0.425467      0.938045      0.730629
     10.07209     12.03023     16.77309         0.592247      1.411130      0.120503
     10.23589     13.46285     17.03875         0.561405     -1.311327     -1.529908
     10.43364     12.35903     14.39359         0.145782      2.640753      1.764194
     10.59125     13.78547     14.64849         0.065356     -1.258914     -1.109578
     10.47605     14.32203     15.93555        -0.179904     -1.553697      0.227698
     10.50838     15.74741     16.28806        -0.646412     -8.863499      7.964258
     10.12841     14.22509     18.34464         3.238629      5.637521    -11.806726
     10.35243     16.86022     18.73187         0.744795      1.278807      0.660572
     10.09788     16.78295     20.08485         0.150031      2.569662      1.022601
     10.01798     18.01001     20.85101         0.499788     -2.431667     -5.146459
     10.52807     18.22826     18.26884         0.856095     -0.620810     -0.638328
     10.48060     19.39619     19.07116         1.234530     -1.821821     -2.919278
     10.24084     19.29567     20.40799        -0.081258      0.707445      2.909014
     10.25123     20.43314      0.14305        -0.070827     -0.270164     -1.433582
      9.86874     20.37077      1.49244        -1.296187     -0.336459     -0.639011
      9.83292      0.16432      2.30201        -0.918609      2.710422      3.918161
     10.58781      0.46656     21.03854        -1.485789      1.589307      2.416735
     10.34739      1.64897      0.55509        -0.173568     -0.715700     -0.087973
     10.01078      1.52529      1.91510        -0.231647     -1.773211     -2.428441
      9.40640     19.21092      2.17292         3.305126     -5.039115     -2.888496
     10.77306     20.66112     18.37596         0.207501     -1.220924      4.176161
      7.15986      7.54701     17.55014        -0.417541      1.341515     -1.530110
      7.38732      8.48597     16.52435        -0.103424      2.420449      1.433891
      7.52786      9.91724     16.89648        -0.883634     -2.261165     -0.410964
      7.06824      7.95293     18.86133        -0.112598      2.396567      1.766986
      7.10922      9.38246     19.22235         0.348906     -3.166854     -2.462514
      7.35976     10.36227     18.23469        -0.342752     -0.440421     -0.474514
      7.04006      6.18224     16.99614         0.406255      8.188028     -6.351272
      7.60237      7.85199     15.09830        -5.954346    -18.313397     40.400921
      7.37866     11.79345     18.62745        -0.279921      1.425591      0.187880
      7.65510     12.88539     17.72780        -0.489205      1.384154      0.326679
      7.64814     14.28626     18.12894        -0.861445     -2.238395      0.510735
      7.05331     12.16579     19.95140         0.669868      2.966761     -1.157244
      7.03505     13.57653     20.33491        -0.423969     -2.124442      1.585975
      7.31787     14.59885     19.47613         0.342519     -0.717091     -2.201782
      7.36823     16.04215     19.70866         2.230242     -3.804629     -9.640174
      8.05410     15.52510     17.33019        -8.763599     -1.587274     27.275372
      7.94449     18.02260     18.06817        -1.327068     -0.138923      1.124828
      8.50826     18.39416     16.88328         0.612112      3.939444     -0.913817
      8.82725     19.83331     16.69177        -2.423246     -3.681986     -0.473489
      7.65058     19.06916     18.99506        -0.529784      1.695913     -0.811926
      7.78575     20.48231     18.64709        -1.249276     -2.494995      1.683723
      8.24747     20.87703     17.40270         1.312339      1.100371     -0.604046
      8.61515      1.06164     17.03393        -0.473828     -0.554581      0.150840
      8.98121      1.41511     15.72797         0.117230      1.440167     -0.278127
      9.20483      2.80014     15.39966         0.966480     -1.446598     -1.644711
      8.65468      2.11054     17.97035         0.508762      4.777572     -3.918396
      8.87030      3.57332     17.62762         0.225961     -5.579793     -1.230445
      9.18081      3.88394     16.27879         0.528442     -0.498716      2.027366
      9.20280      0.44674     14.59473        -5.249218      0.942045      3.739544
      7.36940      0.22178     19.72682         2.129895      0.295231     -3.536608
      7.04046     10.79513      6.11892        -0.166466      1.795530      1.290429
      6.83952     11.26632      7.43666         0.451854      2.582149     -1.099156
      6.96942     12.69125      7.69853        -0.176699     -1.457117     -0.078503
      7.37928     11.68383      5.10960         0.370132      1.711312     -1.047016
      7.52554     13.11663      5.36832        -0.744996     -2.978810      1.114974
      7.30340     13.63365      6.66778        -0.158891     -0.766602      0.098933
      6.87116      9.37018      6.09619        -0.602577     -1.598290      2.014793
      6.52390     10.14348      8.35515         1.709342     -1.534511    -10.322681
      7.41844     15.10602      6.89651        -0.207769      0.590794      0.655375
      7.12235     15.74405      8.15088         0.119553      1.363125      0.193546
      7.23395     17.18859      8.33350         0.447246     -2.216789     -2.099844
      7.80858     15.93601      5.82747        -0.393622      2.904873      1.641680
      7.89026     17.38694      6.01066        -0.241423     -1.598531     -0.975230
      7.64073     17.98662      7.25025        -0.565389     -1.504265     -0.183482
      7.75721     19.39731      7.63728        -2.302213     -4.051589      5.291481
      7.03384     18.01258      9.51657         3.141404      4.480115     -7.690076
      7.34427     20.59945      9.93926         0.854925      0.571907     -0.298266
      6.91275     20.52809     11.22703         0.316604      3.436791      2.679736
      6.77411      0.52839     12.01229         3.373738     -2.740649     -6.450301
      7.72289      0.65122      9.54225         0.626266      0.781170     -0.023316
      7.70716      1.81513     10.40019         1.382071     -2.198512     -3.050070
      7.27027      1.78086     11.67697        -0.773188     -0.956522      3.250626
      7.27714      2.83412     12.71596         1.042196      2.452327     -1.166605
      6.88574      2.86541     14.06113         0.319739      0.031721     -0.413250
      6.89994      3.90995     14.91317         0.228681      4.495131      1.941712
      7.73361      4.15119     12.40356        -0.215597     -1.050863      1.044845
      7.75309      5.26127     13.24210        -2.192030      3.110849     -0.640527
      7.22964      5.25528     14.54650        -0.406086     -0.790920      0.764049
      6.15183      2.00623     14.80845        -0.551510     -6.803639     -3.017695
      8.23113      3.04238      9.83012         0.851316     -1.632352      3.705688
      4.02820     11.45643     10.75771         0.026668      1.688872      0.201479
      3.73699     12.35910      9.70193         0.540855      1.391145      1.717761
      3.82624     13.78240      9.95405        -0.118970     -1.280046     -0.328877
      4.36227     11.96040     12.02906         0.113399      1.422229      0.346868
      4.42705     13.40709     12.28018        -0.341499     -2.860796     -1.363092
      4.17330     14.31895     11.24747        -0.210266     -0.119804     -0.958765
      3.91674     10.04915     10.32749        -2.549490      8.927285     -7.023411
      3.36666     11.61892      8.46598         1.577731     -4.166779      6.181239
      4.27703     15.78950     11.49784        -0.108440      0.621663     -0.571678
      4.15448     16.76943     10.45442        -0.336610      0.172495     -1.057146
      4.28458     18.17171     10.67541        -1.083370     -4.205833     -2.345270
      4.54389     16.28625     12.79522         0.422795      2.840021     -0.875071
      4.71060     17.71144     12.99457         0.164660     -2.622344      1.437458
      4.53174     18.59745     11.94599        -0.568358     -7.822963      0.875586
      4.58954     19.81051     11.70458         1.219942     18.024753      7.135120
      4.33538     19.30309      9.70574        -0.454993      0.765439      2.941410
      4.70987      0.61418     10.09644        -0.296181      1.899335      0.645779
      4.96891      0.92819      8.77309         0.036794      2.116202     -0.730161
      5.26909      2.28105      8.39315        -1.531222     -1.401314      4.682992
      4.71912      1.75337     10.97654        -0.875278     -0.138116      0.307581
      4.93416      3.10662     10.57626        -1.013596     -1.218303      0.959111
      5.27645      3.41306      9.25916         1.261372     -0.472799     -1.314051
      5.83924      4.79814      8.78270        -0.371755     -1.896972     -2.048263
      6.21055      5.07904      7.38915        -0.661236      1.649615      2.456666
      6.42274      6.45291      7.06500         0.548878     -2.098639     -0.872538
      5.79902      5.82143      9.64012         2.126183      7.369234     -5.398322
      6.00292      7.37954      9.20468         0.116695     -7.448820      0.657280
      6.30272      7.57489      7.89833         0.662875      0.236889      0.353194
      6.22823      3.97502      6.35153        -2.349350     -0.146801      2.967160
      4.78672      4.11829     11.69490         1.982752      1.704617     -4.679144
      1.45177     14.32769      0.61172        -0.783150      0.667420      0.152222
      1.91486     14.70332      1.88041        -1.304734      3.259921     -0.304073
      1.77886     16.15507      2.21921        -0.436778     -1.975305     -1.043556
      0.83713     15.24488     20.97643         0.259169      2.984268      1.524034
      0.87168     16.71888      0.01006        -0.126753     -5.770854      0.631739
      1.26545     17.14117      1.28689        -0.084132     -0.626104      0.461257
      1.60139     12.82972      0.36162         9.157667      9.694230     14.903994
      2.50318     13.55833      2.62081        -5.896496     -0.251973    -12.659123
      1.09773     18.60548      1.50706        -0.564323      1.492431     -0.333167
      1.42925     19.30791      2.70061         0.164314      0.938437      1.137833
      1.32766     20.74044      2.85568        -1.336906     -1.568375     -2.729358
      0.56401     19.41992      0.43036         0.758594      2.330532      3.138301
      0.43232     20.86408      0.61189        -1.311486     -1.723667     -3.387384
      0.78804      0.24228      1.74321         1.044746     -1.249296      3.262064
      0.82137      1.67852      2.05614         1.695278     -4.185640      5.005694
      1.69967      0.36134      3.96534        -3.812095      3.375756     -8.393116
      1.57258      2.94733      4.14410        -0.889976      2.457931     -1.342138
      2.09571      2.93514      5.38581         0.831782     -0.331948      2.470394
      2.28202      4.13393      6.07526        -1.605980     -0.298744     -4.336181
      1.22267      4.27006      3.66030        -0.369322     -1.138886     -0.435147
      1.48510      5.44164      4.37357        -1.909926     -0.696060     -1.614932
      2.08474      5.44328      5.60789         0.241382     -0.554268      2.509809
      2.39849      6.62840      6.50080        -2.378550      0.494023     -4.617881
      3.02006      6.55490      7.67776        -0.667570      5.154445      0.579362
      3.34084      7.68804      8.44703         0.927930     -0.570347      2.538475
      2.16510      7.91194      6.04290         2.642796      4.119777      5.172681
      2.65121      9.16859      6.75270        -1.269468     -4.852515     -0.639987
      3.19066      9.01043      8.05065        -0.949511      0.935394     -1.619502
      3.07514      5.31259      8.09672         3.776190     -6.183865      9.646430
      0.92180      6.67725      3.76415         0.940349     -2.233131      2.326851
      4.60590     14.00221      0.75225        -0.343453      1.309068     -0.419299
      3.84830     14.92968     -0.00550         0.759417      2.545388      0.988863
      3.88708     16.37662      0.38897         0.908023     -2.385491     -0.284248
      5.40655     14.46765      1.79893         0.286401      2.113204      1.066756
      5.44566     15.90082      2.18942        -1.295037     -2.950008     -2.174913
      4.67364     16.86311      1.49383         0.045116     -0.185663     -0.523763
      4.49108     12.60869      0.23361        -6.442341     10.370895     -5.579344
      3.04172     14.25567     20.12693        23.319471    -10.876955     27.880539
      4.76091     18.33066      1.92517        -0.297098      0.862504     -0.315942
      4.05186     19.43031      1.29588         0.809228      1.667460      1.067116
      4.16492     20.83933      1.76630         0.686657     -2.914904     -0.345707
      5.60558     18.69045      3.00667        -0.753174      3.333373     -0.122336
      5.73272     20.09427      3.45541         0.452337     -2.014635      0.179277
      5.01584     21.12296      2.84505        -0.501396     -1.083107     -0.802458
      5.01046      1.29958      3.13882        -2.098516      0.706783     -2.388084
      3.52639      0.83652      1.25822         6.890392      0.051575      7.842864
      3.73259      3.40055      2.13516         2.061931     -0.387799      1.949830
      2.91739      3.95646      1.17668        -0.536076     -0.834055     -0.563842
      2.60892      5.26942      1.20560         2.794816      2.332416      1.849248
      4.22175      4.33983      3.11336        -0.570261     -0.531394     -1.525772
      3.98098      5.75249      2.99354         2.061607     -1.921420      1.716923
      3.35025      6.36027      1.98713        -3.041571     -0.512431     -3.651800
      3.22417      7.93521      1.73222         0.806229     -0.860669      2.871421
      2.35997      8.55899      0.82057        -0.414316      1.469570      1.859603
      2.13181      9.91412      0.73516        -0.477364     -0.182050     -0.026894
      3.67866      8.79261      2.71696        -3.352260      7.049065     -5.028220
      3.30147     10.43081      2.75325         0.124814     -7.129458     -2.799401
      2.56454     10.86089      1.67532         0.498793      2.307215      1.584003
      1.76207      7.62924     21.17045         3.133920     -1.324760      3.501062
      4.61018      6.57901      4.03744         0.598638     -1.904327     -2.368092
     18.35218     17.26465     13.26404         0.474587      1.906242      0.767904
     19.44080     17.76263     14.03789        -1.255531      1.580715     -0.303080
     19.57812     19.20133     14.17924         0.507909     -1.489974      0.969993
     17.45356     18.17740     12.68309        -0.334937      1.582365     -0.021648
     17.60746     19.61896     12.84571         1.039769     -3.256035      0.693338
     18.68269     20.12638     13.61792        -0.515437     -0.172569     -0.072701
     18.33219     15.80069     13.21735        10.314657      9.272675      6.778070
     20.36787     16.65331     14.49790       -18.261420     -1.956434     -9.541683
     18.79129      0.33829     13.84709         0.922926      0.370292      0.616194
     19.88120      0.93123     14.60121        -0.358162      1.216369      0.234375
     19.91392      2.34389     14.90749        -1.520222     -2.107729     -0.780214
     17.78287      1.19680     13.39389         0.849202      2.384470      0.989519
     17.82645      2.61228     13.72521        -1.514379     -1.057259     -1.322075
     18.86143      3.16180     14.45989         0.550595     -1.950704     -0.230862
     19.03661      4.50718     14.89100         2.740567     -0.414421      2.885467
     20.86562      3.10625     15.81360       -35.781493     14.170783    -17.598913
     20.89036      5.59373     16.45050        -2.199778      2.507281      0.475173
      0.90164      5.60530     16.98905        -0.346684     -1.926966      0.876690
      1.39724      6.82194     17.25387         6.863561     -1.464641      2.686514
     20.32903      6.96512     16.41556         0.508154     -1.751304      0.962117
     20.93979      8.07005     17.11092        -3.826264     -0.241874     -1.034455
      0.91091      8.07463     17.58654         3.611111     -2.230713      1.259587
      1.77665      9.06170     18.20118        -3.923914      5.569018      2.688087
      2.98688      9.09499     18.90242        -0.635789      3.683121      1.775210
      3.54195     10.20669     19.66523        -2.617677      2.030019     -2.746953
      0.96546     10.49991     18.60437        10.205882     -4.157945      2.469678
      1.78290     11.57106     19.03434        -4.042025      3.288962     -2.797099
      3.05054     11.61661     19.55987         1.751838     -3.876772      1.474308
      3.82172      8.00778     18.98597        -3.796095     -4.527277     -3.388433
     20.23339      9.28224     17.25455        -6.924667      1.610884     -3.259625
      2.05826     18.07822     14.07867        -0.100604      1.215756      1.379445
      1.21969     19.05237     13.49829         1.222293      0.350791      0.437930
      1.42506     20.43244     13.83916        -0.533538     -0.487507     -0.684294
      3.09653     18.50346     14.94233         0.013717      1.272791      0.244163
      3.37760     19.92236     15.16604        -1.215275     -2.645062     -0.970862
      2.50134     20.89631     14.65742        -0.859291     -0.258804     -0.436588
      1.65678     16.67106     13.83649        -7.979517     18.908353     -4.817372
      0.21694     18.43627     12.54550        10.242952     -7.510289      7.150522
      2.69716      1.07410     14.93892        -0.981584      1.502475      0.275419
      1.84624      2.09942     14.40610        -0.203996      0.964748     -0.407482
      2.00285      3.51503     14.69961         0.084995     -3.027233     -1.681113
      3.71596      1.54297     15.80478        -1.470918      2.653242      0.323145
      3.91796      2.95412     16.06573         0.541824     -2.402155      0.822423
      3.05360      3.90846     15.54040        -0.703180     -8.918694     -2.018782
      3.00629      5.15663     15.62462         2.846630     16.029878      3.140234
      1.08373      4.70108     14.23536        29.902433      0.695263     18.747766
      1.38079      7.20233     14.84456         0.087064      1.087144     -0.168159
      0.12045      7.53202     14.31149         0.829297      0.812289     -0.358385
     20.95408      8.86792     14.29687         2.683548     -0.094636      0.001860
      1.97603      8.31768     15.54765         2.067998     -1.253209     -1.458876
      1.56287      9.64407     15.41717         1.251445      0.133503     -0.057690
      0.41386     10.01374     14.72345        -1.849188     -1.224948     -0.684241
     21.01423     11.35135     14.66314        -0.242366      0.271429      0.661740
     19.69434     11.61283     14.18914         0.405847      0.982765     -1.084929
     19.31308     12.96262     13.93597        -1.699303     -0.214623      0.121526
      0.42516     12.50104     15.10017        -2.598234      1.776881     -1.499874
     -0.00618     13.83258     14.97835        -0.227986     -1.154154      0.212453
     20.05094     14.10699     14.32551        -0.423310     -0.175249      1.040250
     18.79843     10.58989     13.50024         2.450348     -6.054781      3.393194
      2.41899     10.65359     16.07043        -4.165668      1.596186     -1.202654
     16.20604      0.38711      5.09584         0.921229      1.057525      1.628296
     17.10403      0.88878      6.07283        -1.486869      1.797593     -0.378607
     17.11847      2.30230      6.35395        -0.196027     -1.015021      0.249649
     15.31878      1.24691      4.50491        -1.615648      1.787469     -0.983672
     15.31667      2.68255      4.77612         1.488593     -2.738642      0.758207
     16.24975      3.23501      5.68360        -0.076671     -1.036269      0.088069
     16.40012     20.20727      4.89035         5.265498      4.410232      6.678102
     17.93996     21.04641      6.69095       -20.988241     -1.844827    -23.701990
     16.26863      4.70243      5.93730         0.383115      0.435064      0.475401
     17.17185      5.31650      6.86593         0.236526      1.134248      0.497077
     17.17387      6.74159      7.12121        -1.466848     -1.934236     -1.538550
     15.36924      5.54402      5.26112         1.029215      3.083027      1.503487
     15.37200      6.99552      5.52542        -0.436492     -1.662214     -0.746599
     16.25808      7.56805      6.43893         0.183069     -1.429267     -0.224845
     16.41811      8.97087      6.84315         3.921370     -3.645191      2.940474
     17.93537      7.53221      8.06855        -2.804405      3.203373     -1.673069
     18.00325     10.10634      8.57516        -0.317250      1.160266      0.711267
     18.99891      9.98878      9.51486         0.958829      1.844597      1.430407
     19.54863     11.17044     10.14783        -3.316725     -2.489623     -3.030008
     17.57127     11.45130      8.37670        -0.686490      0.483342     -0.061785
     18.07543     12.58875      9.08789        -2.509144     -1.826272     -2.051097
     19.08298     12.46256     10.00297         1.696074      0.387329      2.080468
     19.72808     13.55906     10.79589        -0.634365      1.108171      0.188103
     20.89101     13.52474     11.61950        -1.903456     -2.134431     -2.100643
      0.22421     14.52684     12.16212         4.423691      6.140886      3.321666
     19.24377     14.88370     10.81100         0.304861     -0.725160     -0.739722
     19.81636     15.99896     11.37355         2.261141      1.568514      0.146125
     21.10163     15.90931     12.04218        -3.203161     -1.367309     -2.162361
      0.36626     12.37106     11.91884        -2.843604     -6.157822     -2.266687
     17.42437     13.87305      8.74568         0.654989     -1.764616      3.979354
     20.16758      1.21798      6.19963         0.605031      1.055739      0.120094
     19.59547      2.29227      5.44612         1.921978     -0.537545      1.687785
     19.78168      3.59567      5.91510        -0.206214      0.635691     -0.826880
     20.80043      1.46549      7.42769         0.143619      2.330146      0.299740
     20.95049      2.86077      7.91630        -1.280556     -3.115403     -2.635068
     20.45650      3.91814      7.13804        -0.173071      0.002348     -0.536430
     19.92246     21.12807      5.53644        -5.368658     20.856084     -6.863619
     18.89767      1.75312      4.26666         1.555828     -2.818359      0.936011
     20.65674      5.33248      7.55566        -0.208430      0.215175     -0.156187
     20.24827      6.40529      6.72705        -0.647708      0.555362     -1.555817
     20.44765      7.76902      7.04908        -1.202885     -4.568463     -2.619779
     -0.00295      5.65336      8.79265        -0.262678      4.229338     -0.441423
      0.23608      7.06782      9.13257         0.195816     -3.312862      0.889499
     21.06544      8.05118      8.24723         1.139445     -9.671612      1.150050
     20.92598      9.23093      8.02013         5.178703     18.645209      7.848769
     19.98877      9.00066      6.33993         3.315409     -0.569766      5.318489
     20.21401     11.50822      6.96905         1.077780      2.036675      1.007085
     19.44131     11.91719      5.90309        -0.825607      1.439450     -0.976918
     19.12725     13.29925      5.71344         2.590695     -2.308112      2.317914
     20.74089     12.59629      7.75757         0.267605      0.283005     -0.372116
     20.49233     13.98794      7.47405         1.295878     -2.218947      0.784737
     19.64222     14.38206      6.45283        -1.144354     -0.292350     -1.540159
     19.12065     15.76068      6.18646         1.261252      0.174679      1.294068
     18.24383     16.12007      5.17572        -0.561034      1.615513     -0.796721
     17.77359     17.45665      5.05323        -0.421648     -0.444612     -0.954999
     19.45749     16.81778      7.05646        -3.030768      3.468153     -3.070698
     18.95636     18.18552      6.96343         1.031281     -2.928475      0.237305
     18.07356     18.50730      5.94833        -0.619098     -0.242966     -0.283578
     17.78763     15.15668      4.12562         1.820287     -1.036795      2.942339
     21.19293     14.98951      8.33856        -1.748999      0.095831     -2.835925
     12.22558      5.32940      4.01416         0.577146     -0.087732      0.098210
     12.90641      3.74007     20.57101        -0.037157      0.116349      0.893465
     13.01977      6.14853     21.10971         0.048673      0.269744     -0.686983
     12.40767      7.46629      4.34752         0.330848      0.145642     -0.148535
     13.25404      7.89298      0.13365         0.115482     -0.245705     -1.104594
     13.55363     10.33663      0.40053        -0.096414     -0.236413      0.441503
     13.01133     13.66222      8.45035        -0.301018     -0.612168      2.523339
     12.70705     11.84023      7.14376         0.580766      0.057180     -0.072089
     13.88971     14.28919      3.80451         0.516371      0.068337      0.468361
     13.03287     17.13922     11.33988         0.105705     -0.016130     -0.633183
     14.39834     17.79252      6.77373         0.700516      0.227230     -0.951019
     14.69204     19.57999      8.19323         0.264030      0.523402     -0.177974
     10.24130      6.85362      3.35805        -0.193082     -0.365850      0.415939
      9.33574      3.44760      6.89884         0.483752      0.804738     -1.038628
      9.51678      5.84554      7.52039        -0.050017      0.041958      0.854484
     10.69197      8.66187      3.92569        -0.783118      0.413555      0.654163
      9.61830      7.70441      7.99944        -0.135454     -0.435372      0.739302
      9.88147     10.09623      8.64749         0.112668      0.019747     -0.323160
     12.27843     15.84384      2.48026         1.042478      0.170014     -1.972689
     11.79442     13.65041      2.91720        -0.283597      0.118406      0.031992
     10.84130     14.86217      6.95098        -0.072950      0.341156     -0.887026
     12.57314     20.20455      1.10525         0.446341     -0.135473      0.445733
     11.69534     19.15818      5.66332        -0.530427     -0.369399      3.708692
     11.81075      0.12595      5.19567         0.041798      0.067161     -0.105201
      9.65430      9.34868     17.21416         0.664111     -0.487740     -0.734150
     10.09414      7.76860     12.46127         0.069442      0.222478      0.836146
     10.29964     10.19266     13.00965        -0.036827     -0.078877     -0.388230
      9.79930     11.38977     17.61461         0.304371      0.044505     -0.005648
     10.55913     12.01776     13.39657         0.100603     -0.195067     -0.918076
     10.83505     14.45018     13.78466        -0.266380     -0.429028      0.592189
      9.83401     17.75469      0.51868        -0.817335     -0.697194      3.481013
      9.96249     15.85810     20.61997        -0.026772     -0.264836      0.092294
     10.63876     18.35337     17.18356         0.673361      0.036949      0.673318
      9.73830     -0.00773      3.42934        -0.434877      0.216003     -1.693831
     10.78849      0.73195     20.06869         1.167238      0.370492     -0.703408
     10.61609      2.62326      0.11582        -0.521721     -0.471718      0.018325
      7.84654     10.59770     16.11430        -0.394050      0.221569     -0.077048
      6.89984      7.22223     19.66748         0.126543      0.208480     -0.316296
      6.90998      9.63580     20.22144        -0.058325      0.254899      1.382409
      7.98248     12.64356     16.71731        -0.587450      0.175272     -0.043367
      6.76382     11.45087     20.67226        -0.103298     -0.630653      0.806989
      6.73823     13.81559      0.13210         0.662839     -0.237994     -1.114676
      9.48215     19.94352     15.87160         0.436801     -0.016807      0.102921
      8.94982     17.75075     16.14269        -0.276794     -0.210263     -0.106306
      7.26033     18.84092     19.96994        -0.128721     -0.158182      0.339002
      9.40261      3.02952     14.32639         0.113165     -0.347939      0.891723
      8.51135      2.00825     18.97005        -0.159754     -0.339627      2.304422
      8.78838      4.23233     18.42763         0.089527      1.192932      1.186235
      6.81281     13.04777      8.72302         0.014085     -0.115064     -0.127240
      7.55165     11.33133      4.06029        -0.152479      0.139307      0.850289
      7.81297     13.74762      4.56329         0.191224      0.392418     -0.742936
      6.81183     15.13046      9.00327         0.033221      0.159146     -0.049002
      8.05723     15.53647      4.87205         0.224084     -0.136464     -0.717289
      8.21313     17.98263      5.13466        -0.316082     -0.255693      0.569695
      6.28467      0.30114     12.80698        -3.187529     -0.745641      4.689472
      6.46991     19.65656     11.67603         0.775634     -0.268399      0.243825
      8.08593      0.77803      8.52511         0.009261      0.159362     -0.018828
      6.66820      3.74272     15.97965        -0.103898      0.098181     -0.541118
      7.97407      4.40403     11.41314         0.525552      0.357477      0.435860
      7.99799      6.30880     12.75699        -0.503746     -2.136695      0.739815
      3.60046     14.47228      9.13178        -0.005914     -0.216051      0.105860
      4.57455     11.28305     12.87540        -0.117367      0.188597     -0.386523
      4.66463     13.73575     13.26911         0.199651      0.090524      0.639854
      3.98890     16.41488      9.41058         0.063012      0.299597      0.621686
      4.59721     15.63384     13.64114         0.229357     -0.267382      0.506812
      4.89891     18.05919     14.02869         0.481116     -0.009929     -1.149034
      5.47140      2.37219      7.42618         0.394787     -0.019244     -3.014348
      4.95649      0.20667      7.97675         0.018009     -0.460186     -0.237782
      4.55266      1.56205     12.04671        -0.269183     -0.013741     -0.448362
      6.68251      6.60103      6.04034         0.340092      0.431975     -0.377890
      5.44195      5.85319     10.54838        -1.331137      0.157014      3.281453
      5.81451      8.01373      9.98927        -0.159083      1.731737      1.444655
      2.09753     16.47059      3.18751         0.225659      0.261136      0.799326
      0.52319     14.95288     19.97566        -0.294986     -0.126198      0.269047
      0.54655     17.32487     20.47660        -0.458018      0.840614     -0.841182
      1.81354     18.73957      3.56820        -0.094969      0.196615     -0.324031
      0.25347     19.01496     20.77377        -0.428550     -0.386691     -1.200133
      0.02259      0.20876     20.98096         0.581721     -0.822363      1.264271
      2.62621      3.92589      6.96761         0.519181     -1.292784      2.551487
      2.36273      1.98287      5.91574        -0.266856      1.023296     -0.504652
      0.79428      4.32629      2.64930        -0.101334      0.153974      0.616922
      3.78485      7.52806      9.46564        -0.875562     -0.123612     -1.142038
      1.90852      8.15713      5.11690        -1.053544      0.783690     -2.841360
      2.50323     10.07291      6.23290        -0.132697      1.197487     -0.371802
      3.22742     17.04605     21.13446         0.026884      0.387003     -0.551843
      6.06871     13.77455      2.35294        -0.417500      0.225419     -0.178770
      6.07592     16.16021      2.99478         0.718329      0.240342      0.888700
      3.38564     19.23449      0.47480        -0.166887     -0.031246     -0.465244
      6.18735     17.96982      3.52514         0.505184     -0.579050      0.501465
      6.42617     20.31090      4.30620        -0.525467     -0.108547     -0.612910
      1.98656      5.55635      0.45375        -1.698081     -0.075661     -1.113443
      2.39008      3.37182      0.42859         0.154348     -0.162616      0.001605
      4.79965      3.96878      3.93113         0.237659     -0.047158      0.365299
      1.63803     10.27434     21.11812        -0.860791     -0.047138     -0.211346
      4.06082      8.62520      3.58434         2.332967     -0.887217      4.148166
      3.71917     10.88483      3.56500         0.866523      1.717615      1.997982
     20.51291     19.58610     14.65307        -0.946241     -0.393578      0.059451
     16.58758     17.81674     12.09943         0.362378      0.057586      0.141190
     16.90580     20.26368     12.38660        -0.787809      0.510200     -0.525718
     20.69404      0.27956     14.95095        -0.302806      0.274911      0.144213
     16.96345      0.82882     12.80587        -0.453141     -0.021278     -0.183614
     16.97532      3.25019     13.36128         0.798171     -0.435997      0.350200
      2.68245      6.66794     17.30451        -3.576500      0.379668     -0.313695
      1.54909      4.67300     16.91612        -0.799186      1.283653      0.852551
     19.39390      7.09285     15.92012        -0.792301      0.316911      0.046172
      4.36947     10.06826     20.25152         2.162209     -0.721156      1.280358
      0.19749     10.59774     18.04764        -4.305814      1.802823     -2.253614
      1.26121     12.63577     18.61049         1.295123     -2.689202      1.783534
      0.69540     21.17577     13.44910         0.610271     -0.554875     -0.075345
      3.78693     17.75229     15.35942        -0.548175      0.307714      0.335550
      4.25702     20.17448     15.70898         0.633347      0.181501      0.551925
      0.92563      1.77932     13.85723         0.880938      0.436913      0.044319
      4.47986      0.87391     16.09318         0.097095     -0.709642      1.069657
      4.79974      3.26228     16.66600        -0.781205     -0.093474     -0.113866
     20.05195      8.95269     13.84134        -1.756505      0.174627     -0.767142
     20.74724      6.78065     13.85704        -0.097725      0.050269     -0.195632
      2.86423      8.10815     16.18006        -0.274477      0.313800     -1.116982
     18.37531     13.11699     13.34986         0.704260     -0.176091      0.657612
      1.34346     12.44415     15.53859         1.180970      0.518628     -0.526791
      0.65519     14.62185     15.31175        -0.020956     -0.062848      0.182714
     17.86569      2.69165      7.06345        -0.581244     -0.311209      0.006494
     14.53128      0.85608      3.80607         0.844951      0.298120      0.501189
     14.60804      3.29382      4.28370        -0.685586      0.490708     -0.577081
     17.90935      4.68928      7.39340        -0.378230      0.320476     -0.051326
     14.67510      5.16399      4.55458        -0.637870     -0.220729     -0.663473
     14.64700      7.61607      4.96826         0.390944     -0.212337      0.280662
     20.32107     10.89461     10.72029         2.243187     -0.674555      1.341905
     19.52673      9.05740      9.70942        -0.500461      0.203150      0.404025
     16.77582     11.60372      7.64200         0.140526      0.216651      0.154283
      1.08060     14.34829     12.88674        -0.934426     -0.039629     -1.362862
     18.47740     15.13891     10.13116        -0.508559      0.239018      0.523668
     19.44730     17.02481     11.11684         0.152088     -1.040128      0.090754
     19.35244      4.41486      5.29428         0.296437     -0.543824      0.382972
     21.16328      0.65516      8.06364         0.058749     -0.008570     -0.136497
      0.20724      2.99997      8.81528         0.681027      0.238047      1.390413
     19.70835      6.17145      5.77402         0.552037      0.290383      0.702505
      0.34307      4.91036      9.45282         0.077570     -0.640877      0.939682
      0.74210      7.27033     10.10560        -0.459581      0.260397     -0.779235
     18.52678     13.42809      4.91811        -1.451855      0.015377     -1.707506
     19.03003     11.21103      5.17439         0.026373      0.161892      0.254449
      0.09024     12.35446      8.62775         0.209889     -0.156213     -0.156827
     17.04607     17.67063      4.24741         0.682942     -0.155705      0.352348
     20.08676     16.74364      7.82985         1.419932     -0.012276      1.660436
     19.37991     18.90155      7.65548        -0.197767      0.026227      0.223375
     14.04870     19.27772     10.58363        -0.114862      0.581461      0.888203
     18.68495     20.92782      3.73498        -1.605846     -2.218395     -2.401084
     12.39479      1.15661      2.74614         0.792778      1.618068     -1.042872
     13.33440     11.71904      4.58431         0.326471     -2.316888     -3.285437
      9.94681      2.55799      2.75689        -1.120009      3.096559      3.717250
     10.86540     12.68175      5.30840        -0.908852     -0.478089      0.688109
      9.49642      5.17888     15.90258         1.244893      1.521492     -0.911384
     10.36118     15.72415     17.95894         0.731492     -2.123602     -3.154478
      7.18750      6.35390     15.48238        -0.256646     -0.091591     -0.284108
      7.78305     16.65468     18.35479        -0.993150     -1.490754      0.541118
      6.51632      8.88817      7.48725         0.729050      3.355704     -2.135565
      7.33679     19.46796      9.12773         0.680642     -2.322970     -2.729762
      3.46519     10.12515      8.83137         1.077168      1.643657      2.225530
      4.49264     20.56069     10.49312        -1.119292     -5.192757      1.863205
      2.29150     12.29373      1.56676        -0.525668      0.788364     -0.640728
      1.36434      1.80483      3.44583        -0.701412     -3.140641     -1.805544
      3.60645     12.67658     20.29903        -0.307233      1.591503     -0.215123
      4.03862      1.98076      2.19752         0.912114     -1.835731      0.123730
     19.64156     15.43806     14.11593        -1.321840      0.336624     -0.256089
     20.28841      4.49479     15.86834        -2.554241     -0.723409     -1.206059
      0.41860     16.96834     12.60677         2.947123      1.158554      1.627752
      1.75930      5.86773     14.87051         3.705614     -2.490013     -0.610324
     17.49925     19.79057      5.84241        -0.802449      1.105696     -0.140938
     17.54036      8.99320      7.88346        -1.821840     -2.389027     -1.999930
     19.09580      0.30467      4.30814         3.039356      3.761590      3.328433
     20.44525     10.15376      7.17315         0.317222     -4.412815     -0.487272
     11.99726      2.39076      4.71588        -2.435428     -0.188659     16.974557
     12.81071      1.02546      0.40937         4.554179    -11.487141    -15.365207
     12.76851      9.95703      5.96649        -3.958032     -9.473492     27.439016
     13.71144     12.59533      2.35731         6.268391     18.741721    -12.256331
     10.24646      4.51695      1.44077         0.783944      6.140341    -14.503039
      9.42572      1.41007      4.87359         0.082259      1.433502     -0.597527
     11.11227     11.52653      3.30670         1.813719      0.037490    -24.241469
     10.34044     12.85495      7.65281        -1.200612      4.458009      5.806114
      9.28836      6.45035     17.90124        -1.856976     -0.416129     16.920642
      9.70984      5.07034     13.58440         2.153556    -14.283137    -20.358317
      9.93500     13.87001     19.36808        -1.315880     -4.442884     12.024832
     10.76858     16.65361     15.70920         2.411151      8.905143     -5.897585
      7.65335      8.27549     14.22279         1.654280     18.389140    -38.950315
      6.88952      5.20456     17.53007        -1.955643     -8.022239      4.431835
      8.30526     15.58263     16.33138         5.356155      2.218353    -26.591272
      7.12318     16.62673     20.63230        -2.240414      5.356908      8.336172
      6.34425     10.19245      9.45898        -1.261352      0.276812     10.154367
      7.01411      8.64487      5.14704         0.348142     -0.721524     -0.888361
      6.70968     17.68756     10.54316        -2.037879     -2.901814      8.888682
      8.09047     20.30128      7.01779         1.834600      5.215280     -3.660535
      3.07225     12.02189      7.43816        -1.757360      2.514304     -6.362396
      4.08819      9.11581     10.90670         1.551836     -9.209141      5.747388
      4.25190     19.25262      8.54808        -0.390307     -0.389069     -5.361450
      4.75601     20.74193     13.14979        -1.669654     -4.010164     -5.540187
      2.96307     13.42231      3.60011         5.619808     -1.404517     12.250804
      0.98656     12.29208     20.93090       -11.645418     -9.720601    -11.925952
      2.12244      0.10987      4.97522         3.567808     -2.068816      8.379736
      0.50109      2.55030      1.38037        -2.174574      4.974595     -3.713871
      2.48113     14.52374     19.35536       -20.044069     10.173093    -29.063859
      4.96474     11.67181      0.56621         6.262289    -11.167301      4.673964
      2.80870      0.99157      0.41313        -5.641845      1.497113     -7.857919
      5.66811      1.86398      3.94785         1.591797      1.010249      1.447490
      0.00398     16.73688     15.08717        15.530131      1.236169     11.768978
     17.61666     15.08256     12.83130       -10.083514     -9.737103     -4.639964
      0.42794      2.76662     16.22620        34.675680    -14.373191     19.556556
     18.36591      5.46071     14.70035        -1.391272      2.259985     -0.612806
     20.69475     18.94459     11.97191        -9.683120      7.044893     -8.807944
      2.13696     15.74108     13.95566         8.744155    -17.650830      2.798991
      0.24731      4.68082     13.67979       -28.333000     -0.721361    -19.970474
      3.88134      5.98140     16.34088        -3.831281     -3.997808     -3.870694
     18.56586     21.10695      7.48839        18.091151      0.688420     24.706495
     15.86131     19.52450      4.17323        -4.398219     -5.674863     -6.104150
     18.68336      7.15903      8.88106         2.085420     -1.602731      3.728990
     15.83475      9.90302      6.49075        -2.927940      4.621701     -1.858876
     18.29369      2.35204      3.43648        -1.321160      1.254951     -2.032980
     20.21908     20.14929      5.79228         6.808626    -19.330215      4.364040
     19.45466      9.06887      5.35541        -4.865170      0.495242     -8.773083
      0.57769     10.16412      9.56161        -1.757574     -2.941535     -4.740273
     13.56076     17.62728      5.32093        -3.324511      2.219202      1.614275
     15.39142     17.01326      5.53047         5.581651     -1.018367      2.301069
     14.39078     16.62028      3.85732         0.629675     -2.537268     -5.537379
     11.96289     15.03254     11.02844        -2.386377      1.991674      8.632853
     11.50703     14.59187      9.21986        -1.939567     -1.284605     -3.258464
     13.48064     13.97700     10.14326         0.664767     -0.845513      0.065571
     11.93912     18.28169      7.20765         3.451372      1.865515     -0.539389
     10.12611     18.39413      6.26237        -3.039247      2.041761     -1.642925
     10.57500     17.05811      7.71799        -4.575188     -5.912862      7.061193
     12.86623     18.01655      0.26898         0.705280      4.700654     -6.682749
     13.71587     16.76958      1.57714         3.024405     -1.422641      1.232235
     11.69858     16.43574      0.99092        -0.069395      1.175522      0.370338
     10.00099      0.38081     18.69914        -5.012169      2.737625      2.071878
     11.85579      0.02194     18.67099         8.768176      0.840730      3.809382
     10.86854     20.78086     17.16323         0.399337     -2.269945    -10.194417
      9.41452     18.99673      3.41103        -2.353605      2.342059      5.642619
      8.48033     18.43384      1.64241        -3.820816      0.667407     -0.745073
     10.48901     18.16312      1.98713        -0.339058     -0.015217     -0.839437
      8.22131      0.81322     20.54472         4.367948      1.852956      0.620995
      6.72125      1.23490     19.20521        -2.648053      2.554062     -2.579630
      6.62512     21.06154     20.60206        -6.964924     -5.757510      5.321540
      9.12516      0.85275     13.43373        -2.002339      3.105328     -5.563878
     10.24438     21.08732     14.55013         7.722631     -5.094779      1.894962
      8.06932     20.35228     14.75828         4.828925     -3.062355      0.202201
      7.47409      4.05350      9.88205        -4.924458      4.220226      1.154814
      9.28060      3.59411     10.42549         5.226453     -0.465154      2.924449
      8.56401      3.08134      8.65639         2.767743     -2.707473     -9.302465
      6.35187      1.43653     15.94321        -0.437800      1.814671      2.865449
      5.11847      1.42428     14.19442        -0.438648      1.309488     -0.854441
      7.03811      0.33647     14.25904        -3.212966      4.919696     -0.775151
      5.84882      4.96019     11.84814         3.182414      0.479067      0.067491
      3.92873      5.07257     11.68333        -6.225652      3.403309     -1.907101
      4.62637      3.74170     12.83430        -1.092271     -6.511761      8.684670
      6.66716      4.29389      5.26501         3.966624      4.651736     -8.128619
      7.03833      3.03461      6.69971         3.121901     -3.589131      2.545351
      5.11303      3.24626      5.88972        -2.117351      0.392266      1.335353
      0.25747      7.49388      4.49070        -6.887864      1.184887      5.576645
      1.76674      7.53516      3.45532         9.298606      4.724560     -2.019772
      0.32520      6.63927      2.67802        -5.771408     -3.768271     -6.636740
      3.66068      5.28510      9.59283        -1.393010      2.423445     -1.290786
      2.17663      4.44018      8.61586        -3.381949     -0.416875     -1.404272
      3.99039      4.49461      7.62549         0.521541      0.083600     -2.007211
      5.50917      7.40073      3.61730         5.094212      1.039538     -3.451425
      3.96739      7.33957      4.77946        -8.786427      7.964802      2.279348
      5.03191      5.98747      5.07042         5.357472     -8.444148      3.300447
      1.22626      8.04246     20.17357        -1.072928      6.829955     -9.637335
      2.93985      6.90211     -0.23767        -0.885906     -0.495835     -0.868292
      0.73135      6.86156      0.11544        -3.251535     -5.725496      6.135621
     19.83948      9.70500     18.39649        -0.590562     -0.479415      6.250082
     20.53188     10.47631     16.70132         2.099339      1.396734     -1.096908
     18.92413      9.27445     16.64172        -0.412580     -2.433384     -0.220847
      4.57623      7.70724     19.87895         5.161202      0.223747      6.128943
      2.91262      6.58291     19.03904         0.905654      0.671112     -1.370291
      4.40801      7.70488     17.89193         1.950150      0.203662     -4.061138
      2.95708     11.53263     15.30895         3.770561      2.482009     -6.805570
      1.73700     11.68233     16.76889        -1.012057     -1.150606      3.325174
      3.35573     10.33063     16.80453         5.078170     -3.200352      3.616522
     17.69399     10.91510     13.11394        -6.044234      4.561510     -3.364717
     19.13442      9.51415     12.50375         0.665120      1.964372     -0.685743
     18.37066      9.58954     14.45082         0.347022      0.568671      1.179924
     16.83075     14.46243      9.80701        -2.310677     -0.215674      2.935580
     18.19132     14.79379      8.36259         5.868712      4.631727     -1.273766
     16.58619     13.93887      7.84587        -6.787216     -2.466802     -5.837197
      1.20646     12.07193     12.79107         4.761224      2.043301      4.557403
     20.64762     11.31179     12.28697         0.524130      0.503368     -0.903364
      0.91314     11.75171     10.88021         1.101689      1.343479     -2.827944
      0.53836     15.95619      7.69542         3.781820      2.005425     -4.877346
     20.47357     15.76607      9.07330        -4.587816      1.647862      3.502972
      0.78042     14.60109      9.15757         5.436915     -4.695808      3.964469
     17.15490     15.58979      3.16148        -3.954255      4.139854     -5.240164
     18.83961     14.55842      3.49294         1.587082     -0.900268     -0.251871
     16.91423     14.21825      4.62826        -0.461849     -0.971734      0.853990
 -----------------------------------------------------------------------------------
    total drift:                               -0.000412     -0.013891      0.006593


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4381.7879619785 eV

  energy  without entropy=    -4381.8760723061  energy(sigma->0) =    -4381.81733209
 
 d Force =-0.3327272E+02[-0.262E+03, 0.195E+03]  d Energy =-0.3300526E+02-0.267E+00
 d Force = 0.2724363E+03[-0.129E+04, 0.183E+04]  d Ewald  = 0.2146564E+03 0.578E+02


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   33.005259  1 .order   33.272724 -195.145350  261.690799
  (g-gl).g = 0.215E+03      g.g   = 0.219E+03  gl.gl    = 0.665E+03
 g(Force)  = 0.219E+03   g(Stress)= 0.000E+00 ortho     = 0.373E+01
 gamma     =   0.32385
 trial     =   0.88611
 opt step  =   0.37852  (harmonic =   0.37852) maximal distance =0.21494698
 next E    = -4456.473053   (d E  = -41.67983)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    9(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3176
 total energy-change (2. order) :-0.1155942E+02  (-0.1471876E+04)
 number of electron    2497.9999973 magnetization 
 augmentation part      162.5769456 magnetization 

  free energy =  -0.439334737961E+04  energy without entropy=  -0.439330636160E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    9(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3664
 total energy-change (2. order) :-0.6731211E+02  (-0.8578861E+02)
 number of electron    2497.9999974 magnetization 
 augmentation part      165.3059270 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.6873
  0.6873

  free energy =  -0.446065949149E+04  energy without entropy=  -0.446075940549E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    9(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3680
 total energy-change (2. order) : 0.5595777E+01  (-0.2408010E+01)
 number of electron    2497.9999974 magnetization 
 augmentation part      164.2055551 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1110
  1.1110  1.1110

  free energy =  -0.445506371404E+04  energy without entropy=  -0.445518711254E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    9(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) : 0.1469180E+01  (-0.1846614E+01)
 number of electron    2497.9999975 magnetization 
 augmentation part      162.7734797 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0554
  1.2299  1.2299  0.7064

  free energy =  -0.445359453406E+04  energy without entropy=  -0.445367169063E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    9(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3728
 total energy-change (2. order) : 0.1369370E-01  (-0.2120673E+00)
 number of electron    2497.9999975 magnetization 
 augmentation part      163.0361352 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2601
  2.1159  0.9437  0.9437  1.0372

  free energy =  -0.445358084036E+04  energy without entropy=  -0.445368590356E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    9(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3688
 total energy-change (2. order) : 0.2044035E-01  (-0.7252958E-01)
 number of electron    2497.9999976 magnetization 
 augmentation part      163.0121689 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2186
  2.3150  1.0098  1.0098  1.0467  0.7115

  free energy =  -0.445356040001E+04  energy without entropy=  -0.445359740724E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    9(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3832
 total energy-change (2. order) : 0.9785043E-02  (-0.3242111E-01)
 number of electron    2497.9999976 magnetization 
 augmentation part      163.1134326 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1291
  2.3762  0.9380  0.9380  1.0357  0.8157  0.6706

  free energy =  -0.445355061497E+04  energy without entropy=  -0.445366728655E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    9(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3488
 total energy-change (2. order) : 0.4760787E-02  (-0.8035567E-02)
 number of electron    2497.9999975 magnetization 
 augmentation part      163.1802996 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1618
  2.3953  1.0567  1.0567  1.1792  0.8237  0.8237  0.7973

  free energy =  -0.445354585418E+04  energy without entropy=  -0.445366673478E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    9(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3640
 total energy-change (2. order) : 0.3778822E-02  (-0.3505803E-02)
 number of electron    2497.9999975 magnetization 
 augmentation part      163.1667041 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1691
  2.4245  1.4491  0.9905  0.9905  0.9750  0.9750  0.7741  0.7741

  free energy =  -0.445354207536E+04  energy without entropy=  -0.445366151828E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    9(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3768
 total energy-change (2. order) :-0.2074294E-02  (-0.1112271E-02)
 number of electron    2497.9999975 magnetization 
 augmentation part      163.1496743 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1830
  2.4798  1.8163  1.0056  1.0056  1.0915  0.8288  0.8288  0.8219  0.7685

  free energy =  -0.445354414965E+04  energy without entropy=  -0.445366344627E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    9(  11)  ---------------------------------------



 eigenvalue-minimisations  :  3800
 total energy-change (2. order) :-0.1080750E-02  (-0.3116613E-03)
 number of electron    2497.9999975 magnetization 
 augmentation part      163.1565194 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2101
  2.5832  1.8527  1.4108  1.0551  1.0551  0.8677  0.8677  0.9223  0.7434  0.7434

  free energy =  -0.445354523040E+04  energy without entropy=  -0.445366596946E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    9(  12)  ---------------------------------------



 eigenvalue-minimisations  :  3672
 total energy-change (2. order) :-0.1120554E-02  (-0.1138907E-03)
 number of electron    2497.9999975 magnetization 
 augmentation part      163.1578660 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2536
  2.6357  1.9603  1.9603  1.0414  1.0414  1.0052  1.0052  0.8410  0.8410  0.7291
  0.7291

  free energy =  -0.445354635096E+04  energy without entropy=  -0.445366769612E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    9(  13)  ---------------------------------------



 eigenvalue-minimisations  :  4032
 total energy-change (2. order) :-0.8582633E-03  (-0.8091776E-04)
 number of electron    2497.9999975 magnetization 
 augmentation part      163.1612604 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2712
  2.5195  2.5195  1.9962  1.0693  1.0693  0.8499  0.8499  1.0570  0.9507  0.9507
  0.7115  0.7115

  free energy =  -0.445354720922E+04  energy without entropy=  -0.445366940213E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    9(  14)  ---------------------------------------



 eigenvalue-minimisations  :  3744
 total energy-change (2. order) :-0.5672146E-03  (-0.1324548E-03)
 number of electron    2497.9999975 magnetization 
 augmentation part      163.1615287 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2302
  2.5715  2.5715  2.0603  1.0712  1.0712  1.2017  0.8750  0.8750  0.8687  0.8687
  0.7373  0.7373  0.4835

  free energy =  -0.445354777644E+04  energy without entropy=  -0.445367085444E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    9(  15)  ---------------------------------------



 eigenvalue-minimisations  :  3784
 total energy-change (2. order) :-0.2842925E-03  (-0.6676309E-04)
 number of electron    2497.9999975 magnetization 
 augmentation part      163.1609468 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2293
  2.5305  2.5305  2.2295  1.3565  1.0449  1.0449  0.8457  0.8457  0.8367  0.8367
  0.9553  0.7484  0.7027  0.7027

  free energy =  -0.445354806073E+04  energy without entropy=  -0.445367191890E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    9(  16)  ---------------------------------------



 eigenvalue-minimisations  :  3768
 total energy-change (2. order) :-0.1251843E-03  (-0.6364709E-05)
 number of electron    2497.9999975 magnetization 
 augmentation part      163.1608609 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3553
  3.3939  2.9853  2.2991  1.8179  1.0899  1.0899  1.0296  1.0296  0.9780  0.9780
  0.8364  0.8364  0.6902  0.6902  0.5847

  free energy =  -0.445354818591E+04  energy without entropy=  -0.445367273738E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    9(  17)  ---------------------------------------



 eigenvalue-minimisations  :  4656
 total energy-change (2. order) :-0.1475341E-03  (-0.1395907E-04)
 number of electron    2497.9999975 magnetization 
 augmentation part      163.1608933 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3216
  3.7896  3.0511  2.3277  1.8480  1.0896  1.0896  1.0157  1.0157  0.8427  0.8427
  0.9336  0.9336  0.6957  0.6957  0.5970  0.3779

  free energy =  -0.445354833345E+04  energy without entropy=  -0.445367480193E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    9(  18)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) :-0.1872421E-04  (-0.5595516E-04)
 number of electron    2497.9999975 magnetization 
 augmentation part      163.1604225 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2801
  3.6174  3.4061  2.4014  1.8555  1.0890  1.0890  0.9776  0.9776  0.8367  0.8367
  0.9568  0.9568  0.6917  0.6917  0.5835  0.3973  0.3973

  free energy =  -0.445354835217E+04  energy without entropy=  -0.445367520461E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    9(  19)  ---------------------------------------



 eigenvalue-minimisations  :  2640
 total energy-change (2. order) : 0.5655311E-04  (-0.1442773E-06)
 number of electron    2497.9999975 magnetization 
 augmentation part      163.1604023 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2777
  3.5798  3.5798  2.4055  1.8793  1.0912  1.0912  0.7400  0.7400  0.9743  0.9743
  0.9704  0.9704  0.8236  0.8236  0.6852  0.6852  0.5854  0.4001

  free energy =  -0.445354829562E+04  energy without entropy=  -0.445367561332E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    9(  20)  ---------------------------------------



 eigenvalue-minimisations  :  4016
 total energy-change (2. order) : 0.9265306E-04  (-0.1020260E-04)
 number of electron    2497.9999975 magnetization 
 augmentation part      163.1604618 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2415
  3.7336  3.3788  2.4223  1.8925  0.5695  1.0936  1.0936  0.7566  0.7566  0.9699
  0.9699  0.9690  0.9690  0.8154  0.8154  0.6850  0.6850  0.5856  0.4267

  free energy =  -0.445354820296E+04  energy without entropy=  -0.445367597168E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    9(  21)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) : 0.3742226E-04  (-0.1740903E-04)
 number of electron    2497.9999975 magnetization 
 augmentation part      163.1604740 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2025
  3.5698  3.5698  2.4444  1.8836  1.0963  1.0963  0.5413  0.5413  0.9741  0.9741
  1.0096  0.9235  0.8316  0.8316  0.6757  0.6757  0.6916  0.6916  0.5896  0.4390

  free energy =  -0.445354816554E+04  energy without entropy=  -0.445367605626E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    9(  22)  ---------------------------------------



 eigenvalue-minimisations  :  2472
 total energy-change (2. order) : 0.2885578E-04  (-0.1699743E-05)
 number of electron    2497.9999975 magnetization 
 augmentation part      163.1604318 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2133
  3.7327  3.3777  2.4356  1.4174  1.8888  1.1006  1.1006  0.9818  0.9818  0.9979
  0.9315  0.8309  0.8309  0.7035  0.7035  0.6905  0.6905  0.5969  0.4591  0.5135
  0.5135

  free energy =  -0.445354813669E+04  energy without entropy=  -0.445367610381E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    9(  23)  ---------------------------------------



 eigenvalue-minimisations  :  2264
 total energy-change (2. order) :-0.7856899E-05  (-0.1046891E-05)
 number of electron    2497.9999975 magnetization 
 augmentation part      163.1604318 magnetization 

  free energy =  -0.445354814454E+04  energy without entropy=  -0.445367610274E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.9021       2 -56.1733       3 -55.9904       4 -55.7703       5 -55.7697
       6 -56.2002       7 -58.0791       8 -58.2368       9 -56.2724      10 -56.0440
      11 -56.1834      12 -55.8420      13 -55.8413      14 -56.1480      15 -58.5692
      16 -58.2877      17 -56.1619      18 -54.8000      19 -54.4487      20 -55.1933
      21 -55.3722      22 -55.3057      23 -55.2921      24 -55.4405      25 -54.9957
      26 -54.4653      27 -54.7236      28 -54.8530      29 -60.5446      30 -60.4293
      31 -55.8750      32 -56.0833      33 -55.8095      34 -55.4473      35 -55.5982
      36 -56.0404      37 -58.1479      38 -58.3999      39 -55.9770      40 -55.5713
      41 -56.0269      42 -55.6189      43 -55.7181      44 -55.8176      45 -58.2438
      46 -58.2728      47 -56.2924      48 -55.0596      49 -54.5500      50 -55.2069
      51 -55.7128      52 -55.4758      53 -55.2579      54 -55.7925      55 -54.9694
      56 -54.4437      57 -54.7182      58 -56.1014      59 -60.6363      60 -60.7103
      61 -56.1428      62 -56.3713      63 -56.2839      64 -55.9669      65 -56.0534
      66 -56.2693      67 -58.0514      68 -58.7086      69 -56.1941      70 -55.9604
      71 -56.1285      72 -55.7558      73 -55.6887      74 -56.0446      75 -58.4279
      76 -58.1801      77 -56.1127      78 -54.6931      79 -54.2338      80 -55.1983
      81 -55.3690      82 -55.3053      83 -55.3374      84 -55.5704      85 -55.1162
      86 -54.6672      87 -54.9030      88 -56.3126      89 -60.6480      90 -60.5775
      91 -55.7523      92 -55.9605      93 -55.6702      94 -55.4058      95 -55.3900
      96 -55.8682      97 -58.1403      98 -58.2760      99 -55.9203     100 -55.6914
     101 -55.8552     102 -55.4396     103 -55.4296     104 -55.6689     105 -57.9832
     106 -58.2487     107 -56.0459     108 -54.7156     109 -54.7964     110 -54.8560
     111 -55.5313     112 -55.2323     113 -55.5572     114 -55.7504     115 -55.3401
     116 -54.8323     117 -55.0503     118 -56.3607     119 -60.7978     120 -60.4868
     121 -55.8880     122 -55.9698     123 -55.8065     124 -55.7177     125 -55.7184
     126 -56.0867     127 -58.0279     128 -58.2287     129 -56.0828     130 -55.8122
     131 -56.0019     132 -55.6754     133 -55.6617     134 -55.8979     135 -58.1343
     136 -58.2264     137 -56.2511     138 -54.9406     139 -54.3969     140 -55.2527
     141 -55.6057     142 -55.5788     143 -55.5816     144 -55.5768     145 -55.4087
     146 -55.1833     147 -55.6959     148 -56.0837     149 -60.4776     150 -60.7777
     151 -55.6564     152 -55.7401     153 -55.5674     154 -55.4288     155 -55.4650
     156 -55.8549     157 -57.9273     158 -57.9357     159 -55.9184     160 -55.5907
     161 -55.8804     162 -55.5107     163 -55.5832     164 -55.7273     165 -57.8347
     166 -58.1800     167 -56.4619     168 -55.1651     169 -54.6160     170 -55.4416
     171 -55.7149     172 -55.6629     173 -55.6470     174 -55.5367     175 -54.9265
     176 -54.5340     177 -54.7572     178 -56.0241     179 -60.5978     180 -60.7567
     181 -55.8918     182 -56.0135     183 -55.7663     184 -55.6144     185 -55.5216
     186 -56.1103     187 -57.8458     188 -58.2080     189 -56.0937     190 -55.7699
     191 -55.9358     192 -55.6794     193 -55.6152     194 -55.8701     195 -58.0320
     196 -58.2855     197 -56.1060     198 -54.7090     199 -54.4470     200 -55.0138
     201 -55.5552     202 -55.3717     203 -55.3691     204 -55.4572     205 -54.9768
     206 -54.6554     207 -54.7845     208 -56.0580     209 -60.6463     210 -60.4887
     211 -55.9287     212 -56.1574     213 -55.7844     214 -55.7188     215 -55.6305
     216 -56.0932     217 -58.2044     218 -58.5226     219 -56.0972     220 -55.7870
     221 -55.9688     222 -55.6518     223 -55.5792     224 -55.8492     225 -57.9557
     226 -58.2823     227 -56.1282     228 -54.7468     229 -54.5654     230 -54.9563
     231 -55.4753     232 -55.5126     233 -55.5932     234 -55.3821     235 -55.0330
     236 -54.6696     237 -54.9826     238 -56.2091     239 -60.5298     240 -60.4889
     241 -55.7054     242 -55.6861     243 -55.5874     244 -55.4630     245 -55.4650
     246 -55.8012     247 -58.0590     248 -57.9160     249 -56.0401     250 -55.7731
     251 -55.9862     252 -55.6279     253 -55.6803     254 -55.8508     255 -58.0965
     256 -58.1066     257 -56.1297     258 -55.0801     259 -54.5927     260 -55.2792
     261 -55.2934     262 -55.7097     263 -55.6903     264 -55.7361     265 -55.4489
     266 -54.8456     267 -55.8901     268 -56.2831     269 -60.6926     270 -60.1991
     271 -55.8357     272 -55.8332     273 -55.5809     274 -55.6783     275 -55.5752
     276 -55.8788     277 -58.3962     278 -57.9661     279 -55.6336     280 -55.5772
     281 -55.8617     282 -55.3212     283 -55.2625     284 -55.5877     285 -57.8904
     286 -57.9785     287 -56.1141     288 -55.0016     289 -54.2277     290 -55.4471
     291 -55.3450     292 -55.3976     293 -55.1608     294 -55.5676     295 -54.7744
     296 -54.1777     297 -54.4792     298 -55.9068     299 -60.3001     300 -60.6295
     301 -55.7232     302 -55.9025     303 -55.7242     304 -55.4722     305 -55.5084
     306 -55.9291     307 -58.0145     308 -58.4057     309 -56.0091     310 -55.7220
     311 -55.9134     312 -55.6264     313 -55.6363     314 -55.8556     315 -58.0575
     316 -58.0069     317 -55.8860     318 -54.5466     319 -54.1518     320 -54.8055
     321 -55.1738     322 -55.0909     323 -55.1232     324 -55.3255     325 -54.8185
     326 -54.6318     327 -54.7387     328 -56.1032     329 -60.2141     330 -60.2205
     331 -55.6419     332 -55.6796     333 -55.4327     334 -55.3629     335 -55.3388
     336 -55.6931     337 -58.0997     338 -57.9576     339 -55.5958     340 -55.2681
     341 -55.4794     342 -55.2139     343 -55.3106     344 -55.4544     345 -57.3146
     346 -57.9059     347 -56.1494     348 -54.7601     349 -54.3662     350 -55.0339
     351 -55.4106     352 -55.2869     353 -55.2121     354 -55.3632     355 -54.8781
     356 -54.2718     357 -54.6724     358 -55.9795     359 -60.4319     360 -60.4499
     361 -39.0289     362 -38.6875     363 -38.9947     364 -39.0631     365 -39.0410
     366 -38.7528     367 -38.6631     368 -38.3048     369 -38.2570     370 -38.1615
     371 -38.4924     372 -38.1381     373 -38.8595     374 -38.4279     375 -38.7860
     376 -38.8405     377 -38.7954     378 -38.6847     379 -38.6156     380 -38.3102
     381 -38.2449     382 -38.1043     383 -38.7113     384 -37.9937     385 -39.0874
     386 -38.8160     387 -39.0565     388 -38.9082     389 -38.9376     390 -38.5918
     391 -38.5887     392 -37.9298     393 -38.2661     394 -38.1067     395 -38.5834
     396 -38.3019     397 -38.8024     398 -38.4006     399 -38.6499     400 -38.7736
     401 -38.5395     402 -38.4919     403 -38.2499     404 -38.1411     405 -38.0678
     406 -38.3057     407 -38.4534     408 -38.3289     409 -38.7068     410 -38.6050
     411 -38.9430     412 -38.7343     413 -38.8954     414 -38.5603     415 -38.4201
     416 -38.5720     417 -38.2114     418 -38.5031     419 -38.8410     420 -38.3610
     421 -38.4864     422 -38.2969     423 -38.5761     424 -38.5458     425 -38.6461
     426 -38.7095     427 -38.7202     428 -38.2517     429 -38.3906     430 -38.1364
     431 -38.7094     432 -38.2610     433 -38.5807     434 -38.6041     435 -38.9882
     436 -38.5771     437 -38.9502     438 -38.4322     439 -39.2265     440 -37.9108
     441 -38.0320     442 -38.0065     443 -38.4403     444 -38.0758     445 -38.7177
     446 -38.7021     447 -38.7740     448 -38.6548     449 -38.7291     450 -38.3654
     451 -38.3517     452 -37.8387     453 -38.0282     454 -38.2425     455 -38.6886
     456 -38.3708     457 -38.6387     458 -38.3776     459 -38.7159     460 -38.8550
     461 -38.8434     462 -38.5686     463 -37.9221     464 -38.4385     465 -38.2116
     466 -38.7322     467 -39.0301     468 -37.9578     469 -38.7028     470 -38.7946
     471 -38.5739     472 -38.6277     473 -38.5128     474 -38.3161     475 -38.3671
     476 -38.1294     477 -38.4752     478 -37.8592     479 -38.3515     480 -37.8047
     481 -38.7121     482 -38.3250     483 -38.7212     484 -38.6723     485 -38.7839
     486 -38.5882     487 -38.1309     488 -37.8673     489 -37.8054     490 -37.9860
     491 -38.1573     492 -37.9746     493 -38.5009     494 -38.3299     495 -38.5532
     496 -38.3360     497 -38.3626     498 -38.0550     499 -38.4692     500 -37.8393
     501 -37.9221     502 -37.8946     503 -38.3828     504 -37.8493     505 -38.1910
     506 -40.5484     507 -70.7416     508 -70.7744     509 -71.0541     510 -71.0745
     511 -71.1859     512 -70.6937     513 -70.9057     514 -70.7706     515 -70.9334
     516 -70.9467     517 -70.5840     518 -71.3365     519 -70.6582     520 -70.9599
     521 -71.0018     522 -70.8028     523 -70.7081     524 -70.8363     525 -70.6883
     526 -70.8534     527 -70.8732     528 -70.8550     529 -70.5778     530 -71.2207
     531 -77.1929     532 -77.1235     533 -77.3587     534 -77.8566     535 -77.3524
     536 -76.9882     537 -76.9993     538 -77.2628     539 -77.9148     540 -77.2833
     541 -77.0769     542 -77.5035     543 -77.2141     544 -77.1920     545 -77.2457
     546 -77.0484     547 -77.2727     548 -76.9781     549 -77.4204     550 -77.1682
     551 -76.9193     552 -77.0094     553 -77.0983     554 -75.9830     555 -77.3059
     556 -77.0146     557 -77.3683     558 -77.0368     559 -77.7084     560 -77.1919
     561 -77.3786     562 -76.8907     563 -76.6809     564 -77.0986     565 -77.6242
     566 -77.1758     567 -76.8691     568 -77.4865     569 -77.0723     570 -76.7497
     571 -77.5857     572 -77.0291     573 -76.9488     574 -77.0740     575 -76.7791
     576 -77.0786     577 -76.8867     578 -74.9438     579 -82.7983     580 -82.0184
     581 -82.7793     582 -83.0518     583 -82.3411     584 -82.1422     585 -82.3087
     586 -82.5098     587 -83.1061     588 -83.2046     589 -83.0180     590 -81.1272
     591 -83.0205     592 -82.1535     593 -82.9017     594 -83.2131     595 -82.3561
     596 -82.6516     597 -82.3267     598 -82.3375     599 -82.8685     600 -82.8985
     601 -83.4013     602 -80.7171     603 -83.2572     604 -82.3301     605 -83.3940
     606 -83.3438     607 -82.8958     608 -81.2229     609 -82.4859     610 -82.5301
     611 -83.1825     612 -82.9605     613 -82.5753     614 -81.8404     615 -82.3137
     616 -82.9392     617 -82.6679     618 -82.2609     619 -82.3989     620 -83.4540
     621 -82.2847     622 -82.8279     623 -82.8718     624 -83.1178     625 -82.2977
     626 -82.4554     627 -82.0300     628 -82.3773     629 -82.1821     630 -83.4629
     631 -81.3551     632 -83.1261     633 -82.5320     634 -82.2139     635 -83.2952
     636 -82.9297     637 -81.1227     638 -82.1767     639 -81.7331     640 -82.6372
     641 -82.4918     642 -82.5956     643 -82.3617     644 -82.1887     645 -82.1423
     646 -82.5027     647 -82.8086     648 -82.8835     649 -82.0456     650 -82.0574
 
 
 
 E-fermi :  -0.6024     XC(G=0):  -6.3133     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -30.2455      2.00000
      2     -30.1256      2.00000
      3     -30.0903      2.00000
      4     -30.0805      2.00000
      5     -30.0539      2.00000
      6     -29.9042      2.00000
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     10     -29.6857      2.00000
     11     -29.5581      2.00000
     12     -29.4918      2.00000
     13     -29.4795      2.00000
     14     -29.4672      2.00000
     15     -29.4198      2.00000
     16     -29.3604      2.00000
     17     -29.3512      2.00000
     18     -29.2743      2.00000
     19     -29.2638      2.00000
     20     -29.2438      2.00000
     21     -29.1707      2.00000
     22     -29.1140      2.00000
     23     -28.9802      2.00000
     24     -28.8106      2.00000
     25     -27.7608      2.00000
     26     -27.7152      2.00000
     27     -27.5897      2.00000
     28     -27.5336      2.00000
     29     -27.5249      2.00000
     30     -27.4624      2.00000
     31     -27.3230      2.00000
     32     -27.2755      2.00000
     33     -27.2521      2.00000
     34     -27.2503      2.00000
     35     -27.2332      2.00000
     36     -27.1549      2.00000
     37     -27.1244      2.00000
     38     -27.1126      2.00000
     39     -27.0179      2.00000
     40     -27.0026      2.00000
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     44     -26.8095      2.00000
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     46     -26.7793      2.00000
     47     -26.6908      2.00000
     48     -26.6887      2.00000
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     50     -26.6402      2.00000
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     55     -26.4999      2.00000
     56     -26.4303      2.00000
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     65     -26.0174      2.00000
     66     -25.9764      2.00000
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     68     -25.6505      2.00000
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     70     -24.9877      2.00000
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   1098      -3.6279      2.00000
   1099      -3.6184      2.00000
   1100      -3.5907      2.00000
   1101      -3.5754      2.00000
   1102      -3.5554      2.00000
   1103      -3.5326      2.00000
   1104      -3.5234      2.00000
   1105      -3.5023      2.00000
   1106      -3.4960      2.00000
   1107      -3.4808      2.00000
   1108      -3.4447      2.00000
   1109      -3.4341      2.00000
   1110      -3.4134      2.00000
   1111      -3.4065      2.00000
   1112      -3.3924      2.00000
   1113      -3.3807      2.00000
   1114      -3.3728      2.00000
   1115      -3.3514      2.00000
   1116      -3.3384      2.00000
   1117      -3.3307      2.00000
   1118      -3.3192      2.00000
   1119      -3.3055      2.00000
   1120      -3.2965      2.00000
   1121      -3.2847      2.00000
   1122      -3.2676      2.00000
   1123      -3.2547      2.00000
   1124      -3.2348      2.00000
   1125      -3.2314      2.00000
   1126      -3.2214      2.00000
   1127      -3.2150      2.00000
   1128      -3.2018      2.00000
   1129      -3.1801      2.00000
   1130      -3.1771      2.00000
   1131      -3.1708      2.00000
   1132      -3.1574      2.00000
   1133      -3.1453      2.00000
   1134      -3.1370      2.00000
   1135      -3.1324      2.00000
   1136      -3.1239      2.00000
   1137      -3.1091      2.00000
   1138      -3.0906      2.00000
   1139      -3.0796      2.00000
   1140      -3.0607      2.00000
   1141      -3.0374      2.00000
   1142      -3.0252      2.00000
   1143      -3.0018      2.00000
   1144      -2.9982      2.00000
   1145      -2.9822      2.00000
   1146      -2.9657      2.00000
   1147      -2.9293      2.00000
   1148      -2.9229      2.00000
   1149      -2.9065      2.00000
   1150      -2.8966      2.00000
   1151      -2.8852      2.00000
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   1153      -2.8467      2.00000
   1154      -2.8433      2.00000
   1155      -2.8314      2.00000
   1156      -2.8196      2.00000
   1157      -2.7946      2.00000
   1158      -2.7909      2.00000
   1159      -2.7661      2.00000
   1160      -2.7449      2.00000
   1161      -2.7155      2.00000
   1162      -2.7090      2.00000
   1163      -2.6894      2.00000
   1164      -2.6579      2.00000
   1165      -2.6521      2.00000
   1166      -2.6477      2.00000
   1167      -2.6313      2.00000
   1168      -2.6181      2.00000
   1169      -2.6041      2.00000
   1170      -2.5933      2.00000
   1171      -2.5870      2.00000
   1172      -2.5837      2.00000
   1173      -2.5784      2.00000
   1174      -2.5689      2.00000
   1175      -2.5628      2.00000
   1176      -2.5517      2.00000
   1177      -2.5445      2.00000
   1178      -2.5370      2.00000
   1179      -2.5313      2.00000
   1180      -2.5277      2.00000
   1181      -2.5110      2.00000
   1182      -2.4978      2.00000
   1183      -2.4869      2.00000
   1184      -2.4686      2.00000
   1185      -2.4673      2.00000
   1186      -2.4454      2.00000
   1187      -2.4429      2.00000
   1188      -2.4346      2.00000
   1189      -2.4058      2.00000
   1190      -2.3978      2.00000
   1191      -2.3894      2.00000
   1192      -2.3826      2.00000
   1193      -2.3718      2.00000
   1194      -2.3640      2.00000
   1195      -2.3389      2.00000
   1196      -2.3323      2.00000
   1197      -2.2992      2.00000
   1198      -2.2676      2.00000
   1199      -2.2513      2.00000
   1200      -2.2343      2.00000
   1201      -2.2172      2.00000
   1202      -2.2052      2.00000
   1203      -2.1886      2.00000
   1204      -2.1864      2.00000
   1205      -2.1741      2.00000
   1206      -2.1634      2.00000
   1207      -2.1474      2.00000
   1208      -2.1295      2.00000
   1209      -2.1225      2.00000
   1210      -2.0858      2.00000
   1211      -2.0751      2.00000
   1212      -2.0613      2.00000
   1213      -2.0339      2.00000
   1214      -2.0192      2.00000
   1215      -1.9909      2.00000
   1216      -1.9809      2.00000
   1217      -1.9518      2.00000
   1218      -1.9293      2.00000
   1219      -1.9116      2.00000
   1220      -1.8888      2.00000
   1221      -1.8797      2.00000
   1222      -1.8407      2.00000
   1223      -1.8286      2.00000
   1224      -1.8076      2.00000
   1225      -1.7869      2.00000
   1226      -1.7218      2.00000
   1227      -1.6565      2.00000
   1228      -1.6088      2.00000
   1229      -1.5725      2.00000
   1230      -1.5197      2.00000
   1231      -1.5104      2.00000
   1232      -1.4590      2.00000
   1233      -1.3867      2.00000
   1234      -1.3676      2.00000
   1235      -1.1952      2.00023
   1236      -1.1781      2.00036
   1237      -1.1418      2.00092
   1238      -1.1246      2.00139
   1239      -1.0952      2.00272
   1240      -1.0439      2.00772
   1241      -1.0057      2.01516
   1242      -0.9838      2.02133
   1243      -0.9623      2.02890
   1244      -0.9243      2.04528
   1245      -0.8857      2.06229
   1246      -0.8139      2.06025
   1247      -0.7689      1.99585
   1248      -0.7588      1.97062
   1249      -0.7235      1.84481
   1250      -0.3035     -0.05581
   1251      -0.0957     -0.00199
   1252       0.0632     -0.00003
   1253       0.1396     -0.00000
   1254       0.2216     -0.00000
   1255       0.2848     -0.00000
   1256       0.2933     -0.00000
   1257       0.3003     -0.00000
   1258       0.3247     -0.00000
   1259       0.4109     -0.00000
   1260       0.4200     -0.00000
   1261       0.4225     -0.00000
   1262       0.6078     -0.00000
   1263       0.6884     -0.00000
   1264       0.7076     -0.00000
   1265       0.7153     -0.00000
   1266       0.7359     -0.00000
   1267       0.7838     -0.00000
   1268       0.8410     -0.00000
   1269       0.8822     -0.00000
   1270       0.9412     -0.00000
   1271       0.9617     -0.00000
   1272       0.9704     -0.00000
   1273       0.9791     -0.00000
   1274       1.0654     -0.00000
   1275       1.0774     -0.00000
   1276       1.0967     -0.00000
   1277       1.1117     -0.00000
   1278       1.1634     -0.00000
   1279       1.2160     -0.00000
   1280       1.2465     -0.00000
   1281       1.2611     -0.00000
   1282       1.2745     -0.00000
   1283       1.3221     -0.00000
   1284       1.3556     -0.00000
   1285       1.4053     -0.00000
   1286       1.4289     -0.00000
   1287       1.4463     -0.00000
   1288       1.4666     -0.00000
   1289       1.5539     -0.00000
   1290       1.5741     -0.00000
   1291       1.6063     -0.00000
   1292       1.6224     -0.00000
   1293       1.6493     -0.00000
   1294       1.6963     -0.00000
   1295       1.7173     -0.00000
   1296       1.7804     -0.00000
   1297       1.7887     -0.00000
   1298       1.8358     -0.00000
   1299       1.8710     -0.00000
   1300       1.9087     -0.00000
   1301       1.9388     -0.00000
   1302       1.9764     -0.00000
   1303       2.0042     -0.00000
   1304       2.0251     -0.00000
   1305       2.0571     -0.00000
   1306       2.0794     -0.00000
   1307       2.0960     -0.00000
   1308       2.1313     -0.00000
   1309       2.1578     -0.00000
   1310       2.1724     -0.00000
   1311       2.1972     -0.00000
   1312       2.2186     -0.00000
   1313       2.2601     -0.00000
   1314       2.2970     -0.00000
   1315       2.3670     -0.00000
   1316       2.3794     -0.00000
   1317       2.3911     -0.00000
   1318       2.4250     -0.00000
   1319       2.4651     -0.00000
   1320       2.4899     -0.00000
   1321       2.5020     -0.00000
   1322       2.5062     -0.00000
   1323       2.5332     -0.00000
   1324       2.5385     -0.00000
   1325       2.5751     -0.00000
   1326       2.5841     -0.00000
   1327       2.6267     -0.00000
   1328       2.6539     -0.00000
   1329       2.6635     -0.00000
   1330       2.7067     -0.00000
   1331       2.7524     -0.00000
   1332       2.7745     -0.00000
   1333       2.8019     -0.00000
   1334       2.8185     -0.00000
   1335       2.8434     -0.00000
   1336       2.8770     -0.00000
   1337       2.8852     -0.00000
   1338       2.8988     -0.00000
   1339       2.9085     -0.00000
   1340       2.9323     -0.00000
   1341       2.9578     -0.00000
   1342       3.0080     -0.00000
   1343       3.0198     -0.00000
   1344       3.0412     -0.00000
   1345       3.0687     -0.00000
   1346       3.1375     -0.00000
   1347       3.1667     -0.00000
   1348       3.1921     -0.00000
   1349       3.2013     -0.00000
   1350       3.2275     -0.00000
   1351       3.2359     -0.00000
   1352       3.2501     -0.00000
   1353       3.2696     -0.00000
   1354       3.2744     -0.00000
   1355       3.3002     -0.00000
   1356       3.3441     -0.00000
   1357       3.3600     -0.00000
   1358       3.3893     -0.00000
   1359       3.4058     -0.00000
   1360       3.4255     -0.00000
   1361       3.4426     -0.00000
   1362       3.4801     -0.00000
   1363       3.5341     -0.00000
   1364       3.5609     -0.00000
   1365       3.5880     -0.00000
   1366       3.6145     -0.00000
   1367       3.6389     -0.00000
   1368       3.6490     -0.00000
   1369       3.6600     -0.00000
   1370       3.6916     -0.00000
   1371       3.7010     -0.00000
   1372       3.7201     -0.00000
   1373       3.7421     -0.00000
   1374       3.7471     -0.00000
   1375       3.7639     -0.00000
   1376       3.7788     -0.00000
   1377       3.8161     -0.00000
   1378       3.8261     -0.00000
   1379       3.8485     -0.00000
   1380       3.8751     -0.00000
   1381       3.9041     -0.00000
   1382       3.9249     -0.00000
   1383       3.9367     -0.00000
   1384       3.9652     -0.00000
   1385       3.9949     -0.00000
   1386       3.9965     -0.00000
   1387       4.0146     -0.00000
   1388       4.0335     -0.00000
   1389       4.0657     -0.00000
   1390       4.0825     -0.00000
   1391       4.0997     -0.00000
   1392       4.1264     -0.00000
   1393       4.1303     -0.00000
   1394       4.1339     -0.00000
   1395       4.1470     -0.00000
   1396       4.1612     -0.00000
   1397       4.1756     -0.00000
   1398       4.1795     -0.00000
   1399       4.1908     -0.00000
   1400       4.2020     -0.00000
   1401       4.2170     -0.00000
   1402       4.2285     -0.00000
   1403       4.2382     -0.00000
   1404       4.2619     -0.00000
   1405       4.2774     -0.00000
   1406       4.2851     -0.00000
   1407       4.3013     -0.00000
   1408       4.3202     -0.00000
   1409       4.3386     -0.00000
   1410       4.3547     -0.00000
   1411       4.3776     -0.00000
   1412       4.3818     -0.00000
   1413       4.3916     -0.00000
   1414       4.4094     -0.00000
   1415       4.4205     -0.00000
   1416       4.4286     -0.00000
   1417       4.4437     -0.00000
   1418       4.4583     -0.00000
   1419       4.4641     -0.00000
   1420       4.4795     -0.00000
   1421       4.5019     -0.00000
   1422       4.5135     -0.00000
   1423       4.5184     -0.00000
   1424       4.5395     -0.00000
   1425       4.5495     -0.00000
   1426       4.5577     -0.00000
   1427       4.5834     -0.00000
   1428       4.5866     -0.00000
   1429       4.5983     -0.00000
   1430       4.6138     -0.00000
   1431       4.6312     -0.00000
   1432       4.6456     -0.00000
   1433       4.6622     -0.00000
   1434       4.6738     -0.00000
   1435       4.6952     -0.00000
   1436       4.7035     -0.00000
   1437       4.7202     -0.00000
   1438       4.7316      0.00000
   1439       4.7427      0.00000
   1440       4.7621      0.00000
   1441       4.7725      0.00000
   1442       4.7942      0.00000
   1443       4.8088      0.00000
   1444       4.8222      0.00000
   1445       4.8329      0.00000
   1446       4.8578      0.00000
   1447       4.8631      0.00000
   1448       4.8696      0.00000
   1449       4.8816      0.00000
   1450       4.8847      0.00000
   1451       4.8935      0.00000
   1452       4.9158      0.00000
   1453       4.9240      0.00000
   1454       4.9509      0.00000
   1455       4.9548      0.00000
   1456       4.9749      0.00000
   1457       4.9893      0.00000
   1458       5.0003      0.00000
   1459       5.0041      0.00000
   1460       5.0185      0.00000
   1461       5.0376      0.00000
   1462       5.0530      0.00000
   1463       5.0613      0.00000
   1464       5.0634      0.00000
   1465       5.0840      0.00000
   1466       5.0843      0.00000
   1467       5.0937      0.00000
   1468       5.1065      0.00000
   1469       5.1205      0.00000
   1470       5.1252      0.00000
   1471       5.1434      0.00000
   1472       5.1512      0.00000
   1473       5.1596      0.00000
   1474       5.1660      0.00000
   1475       5.1877      0.00000
   1476       5.2042      0.00000
   1477       5.2097      0.00000
   1478       5.2312      0.00000
   1479       5.2514      0.00000
   1480       5.2606      0.00000
   1481       5.2749      0.00000
   1482       5.2917      0.00000
   1483       5.3073      0.00000
   1484       5.3125      0.00000
   1485       5.3175      0.00000
   1486       5.3291      0.00000
   1487       5.3404      0.00000
   1488       5.3554      0.00000
   1489       5.3668      0.00000
   1490       5.3724      0.00000
   1491       5.3829      0.00000
   1492       5.3978      0.00000
   1493       5.4079      0.00000
   1494       5.4169      0.00000
   1495       5.4437      0.00000
   1496       5.4525      0.00000
   1497       5.4726      0.00000
   1498       5.4774      0.00000
   1499       5.4837      0.00000
   1500       5.4988      0.00000
   1501       5.5022      0.00000
   1502       5.5253      0.00000
   1503       5.5316      0.00000
   1504       5.5428      0.00000
   1505       5.5558      0.00000
   1506       5.5656      0.00000
   1507       5.5749      0.00000
   1508       5.5890      0.00000
   1509       5.5918      0.00000
   1510       5.6090      0.00000
   1511       5.6223      0.00000
   1512       5.6320      0.00000
   1513       5.6488      0.00000
   1514       5.6569      0.00000
   1515       5.6651      0.00000
   1516       5.6822      0.00000
   1517       5.6972      0.00000
   1518       5.7003      0.00000
   1519       5.7133      0.00000
   1520       5.7192      0.00000
   1521       5.7327      0.00000
   1522       5.7334      0.00000
   1523       5.7392      0.00000
   1524       5.7541      0.00000
   1525       5.7672      0.00000
   1526       5.7746      0.00000
   1527       5.7903      0.00000
   1528       5.8001      0.00000
   1529       5.8032      0.00000
   1530       5.8159      0.00000
   1531       5.8287      0.00000
   1532       5.8400      0.00000
   1533       5.8475      0.00000
   1534       5.8595      0.00000
   1535       5.8653      0.00000
   1536       5.8679      0.00000
   1537       5.8893      0.00000
   1538       5.8973      0.00000
   1539       5.9085      0.00000
   1540       5.9190      0.00000
   1541       5.9289      0.00000
   1542       5.9345      0.00000
   1543       5.9401      0.00000
   1544       5.9510      0.00000
   1545       5.9618      0.00000
   1546       5.9658      0.00000
   1547       5.9729      0.00000
   1548       5.9788      0.00000
   1549       5.9892      0.00000
   1550       5.9930      0.00000
   1551       6.0037      0.00000
   1552       6.0179      0.00000
   1553       6.0238      0.00000
   1554       6.0388      0.00000
   1555       6.0474      0.00000
   1556       6.0573      0.00000
   1557       6.0683      0.00000
   1558       6.0754      0.00000
   1559       6.0830      0.00000
   1560       6.0987      0.00000
   1561       6.1008      0.00000
   1562       6.1090      0.00000
   1563       6.1157      0.00000
   1564       6.1238      0.00000
   1565       6.1406      0.00000
   1566       6.1458      0.00000
   1567       6.1557      0.00000
   1568       6.1604      0.00000
   1569       6.1705      0.00000
   1570       6.1819      0.00000
   1571       6.1875      0.00000
   1572       6.1996      0.00000
   1573       6.2110      0.00000
   1574       6.2193      0.00000
   1575       6.2415      0.00000
   1576       6.2567      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.075  13.395  -0.000   0.001  -0.000   0.001  -0.002   0.001
 13.395  17.809  -0.001   0.001  -0.000   0.001  -0.003   0.001
 -0.000  -0.001  -4.227   0.001  -0.001   8.272  -0.002   0.001
  0.001   0.001   0.001  -4.226   0.001  -0.002   8.270  -0.001
 -0.000  -0.000  -0.001   0.001  -4.221   0.001  -0.001   8.264
  0.001   0.001   8.272  -0.002   0.001 -18.315   0.003  -0.001
 -0.002  -0.003  -0.002   8.270  -0.001   0.003 -18.310   0.001
  0.001   0.001   0.001  -0.001   8.264  -0.001   0.001 -18.307
 total augmentation occupancy for first ion, spin component:           1
  7.894  -3.490   0.158   0.057  -0.020   0.019   0.012  -0.004
 -3.490   1.621  -0.093  -0.047   0.009  -0.008  -0.007   0.003
  0.158  -0.093   1.729  -0.051   0.017   0.162  -0.008   0.003
  0.057  -0.047  -0.051   1.784  -0.094  -0.008   0.164  -0.014
 -0.020   0.009   0.017  -0.094   1.218   0.003  -0.014   0.077
  0.019  -0.008   0.162  -0.008   0.003   0.017  -0.001   0.000
  0.012  -0.007  -0.008   0.164  -0.014  -0.001   0.016  -0.002
 -0.004   0.003   0.003  -0.014   0.077   0.000  -0.002   0.005


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -60665.05064123961.97717 49539.19334-13308.52010  4504.41782 34119.23687
  Hartree -5981.20859152014.45578 87301.20111-13611.73090  2772.47214 28677.80349
  E(xc)  -10747.02555-10624.51001-10657.37559     2.01512     7.02356    26.59144
  Local   33356.08777************************ 26892.40464 -7358.22931-62273.69896
  n-local -5870.74688 -5933.45044 -6027.03706    13.63123    24.87148   -43.31194
  augment  1492.69989  1537.83524  1484.01840     4.31166    14.88562    -4.34594
  Kinetic 45804.08650 43277.56459 43899.06369   -46.71833   -83.03701  -555.91305
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      296.7012178   -446.0222790    125.1100177    -54.6066787   -117.5956938    -53.6380953
  in kB       49.4773030    -74.3777851     20.8630969     -9.1061008    -19.6100232     -8.9445817
  external PRESSURE =      -1.3457951 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.345E+03 -.126E+03 0.239E+03   0.345E+03 0.126E+03 -.240E+03   0.130E+00 0.386E+00 0.127E+01   -.108E-02 -.937E-02 0.156E-02
   -.311E+03 -.143E+03 0.400E+02   0.313E+03 0.144E+03 -.400E+02   0.213E+00 0.726E-01 -.812E+00   0.735E-03 -.101E-01 0.121E-02
   -.260E+03 -.137E+03 -.118E+01   0.261E+03 0.137E+03 0.302E+01   0.170E+00 -.174E+01 -.185E+01   0.323E-02 -.108E-01 -.629E-04
   -.308E+03 -.117E+03 0.355E+03   0.308E+03 0.117E+03 -.356E+03   0.959E-01 -.127E+00 0.199E+01   0.246E-02 -.851E-02 0.171E-02
   -.257E+03 -.158E+03 0.324E+03   0.257E+03 0.158E+03 -.325E+03   -.770E-01 -.108E+01 0.103E+01   0.447E-02 -.968E-02 0.763E-03
   -.220E+03 -.129E+03 0.176E+03   0.220E+03 0.128E+03 -.176E+03   0.365E+00 -.174E+00 0.251E+00   0.330E-02 -.142E-01 0.721E-04
   -.372E+03 -.153E+03 0.135E+03   0.372E+03 0.161E+03 -.129E+03   0.266E+00 -.371E+01 0.111E+00   -.540E-02 -.669E-02 0.142E-03
   -.299E+03 -.967E+02 0.130E+02   0.302E+03 0.992E+02 -.208E+02   -.431E+00 -.290E+01 0.170E+01   0.486E-03 -.563E-02 -.318E-02
   -.161E+03 -.318E+01 0.207E+03   0.162E+03 0.335E+01 -.208E+03   -.956E-01 0.263E+00 0.428E+00   0.436E-02 -.142E-01 -.123E-02
   -.148E+03 0.894E+02 0.802E+02   0.148E+03 -.901E+02 -.791E+02   0.395E+00 0.174E+01 -.816E+00   0.534E-02 -.139E-01 -.270E-03
   -.170E+03 0.139E+03 0.150E+03   0.170E+03 -.140E+03 -.150E+03   0.107E+01 0.240E+00 -.467E+00   0.659E-02 -.147E-01 -.492E-02
   -.169E+03 0.204E+01 0.345E+03   0.169E+03 -.197E+01 -.346E+03   -.181E+00 0.711E+00 0.144E+01   0.657E-02 -.815E-02 -.599E-02
   -.173E+03 -.151E+02 0.378E+03   0.174E+03 0.156E+02 -.379E+03   -.227E+00 -.584E+00 0.224E+01   0.706E-02 -.450E-02 -.967E-02
   -.198E+03 0.657E+02 0.319E+03   0.198E+03 -.665E+02 -.320E+03   -.357E+00 0.313E+00 0.899E+00   0.724E-02 -.928E-02 -.878E-02
   -.175E+03 0.161E+03 0.272E+03   0.173E+03 -.172E+03 -.267E+03   0.148E+01 0.457E+01 0.665E+00   0.838E-02 -.515E-02 -.146E-01
   -.223E+03 0.146E+03 0.112E+03   0.226E+03 -.145E+03 -.122E+03   0.330E+00 0.240E+01 0.306E+01   0.702E-02 -.168E-01 -.841E-03
   -.200E+03 0.128E+03 0.388E+02   0.202E+03 -.124E+03 -.348E+02   0.214E+00 -.394E+01 -.364E+01   0.695E-02 -.898E-02 -.257E-02
   -.120E+03 0.228E+03 -.190E+03   0.120E+03 -.229E+03 0.192E+03   0.109E+01 0.125E+01 -.180E+01   0.531E-02 -.108E-01 0.105E-01
   -.935E+02 0.175E+03 -.208E+03   0.939E+02 -.176E+03 0.210E+03   0.264E+00 0.900E-01 -.419E+01   0.675E-02 -.858E-02 0.129E-01
   -.191E+03 0.148E+03 0.179E+03   0.192E+03 -.148E+03 -.181E+03   -.677E+00 -.120E+01 0.252E+01   0.114E-01 0.767E-02 -.101E-01
   -.136E+03 0.123E+03 -.765E+01   0.136E+03 -.126E+03 0.906E+01   0.111E+01 0.113E+01 -.138E+01   0.120E-01 0.129E-01 -.771E-02
   -.104E+03 0.579E+02 -.162E+03   0.104E+03 -.585E+02 0.163E+03   0.576E+00 0.165E+00 -.657E+00   0.104E-01 0.846E-02 0.395E-02
   -.112E+03 -.322E+02 -.237E+03   0.112E+03 0.329E+02 0.237E+03   -.525E-01 -.513E+00 0.982E+00   0.938E-02 0.677E-02 0.760E-02
   -.666E+02 -.881E+02 -.317E+03   0.678E+02 0.904E+02 0.316E+03   -.958E+00 -.211E+01 0.107E+01   0.595E-02 0.365E-03 0.152E-01
   -.363E+02 -.153E+03 -.411E+03   0.361E+02 0.154E+03 0.413E+03   0.147E+00 -.730E+00 -.144E+01   0.670E-02 0.116E-02 0.181E-01
   -.176E+03 -.174E+03 -.226E+03   0.177E+03 0.175E+03 0.224E+03   -.112E+01 -.804E+00 0.398E+01   0.111E-01 0.105E-01 -.101E-02
   -.134E+03 -.316E+03 -.248E+03   0.134E+03 0.317E+03 0.248E+03   -.941E-01 -.125E+01 0.874E+00   0.127E-01 0.126E-01 0.242E-02
   -.696E+02 -.267E+03 -.353E+03   0.699E+02 0.268E+03 0.353E+03   -.234E+00 -.956E+00 -.638E-01   0.117E-01 0.888E-02 0.128E-01
   -.666E+02 -.448E+01 -.293E+03   0.727E+02 0.135E+02 0.288E+03   -.563E+01 -.874E+01 0.445E+01   0.197E-02 -.426E-02 0.174E-01
   -.155E+03 0.111E+03 0.139E+02   0.153E+03 -.122E+03 -.816E+01   0.302E+01 0.103E+02 -.474E+01   0.993E-02 0.185E-01 -.114E-01
   -.156E+03 -.558E+02 -.604E+02   0.156E+03 0.570E+02 0.616E+02   0.210E-01 0.105E+00 -.170E+01   0.223E-02 -.725E-02 -.537E-02
   -.998E+02 -.157E+03 0.905E+02   0.991E+02 0.158E+03 -.899E+02   0.353E-01 -.681E+00 0.285E+00   0.118E-02 -.905E-02 -.432E-02
   -.140E+03 -.143E+03 0.138E+03   0.139E+03 0.144E+03 -.139E+03   -.142E+00 -.194E+01 0.418E+00   -.127E-02 -.100E-01 -.262E-02
   -.292E+03 0.164E+01 -.149E+03   0.292E+03 -.311E+01 0.152E+03   0.842E+00 0.133E+01 -.276E+01   0.904E-03 -.603E-02 -.481E-02
   -.296E+03 -.659E+02 -.184E+03   0.296E+03 0.659E+02 0.185E+03   0.354E+00 -.407E+00 -.167E+01   -.205E-03 -.702E-02 -.459E-02
   -.219E+03 -.540E+02 -.309E+02   0.219E+03 0.538E+02 0.313E+02   0.239E+00 -.221E+00 -.413E+00   -.187E-02 -.108E-01 -.372E-02
   -.633E+02 -.831E+02 -.160E+02   0.632E+02 0.887E+02 0.164E+02   -.239E+00 -.438E+01 -.222E+01   0.297E-02 -.659E-02 -.860E-02
   -.966E+01 -.143E+03 0.706E+02   0.695E+01 0.142E+03 -.615E+02   0.546E+00 -.218E+01 -.334E+01   0.744E-03 -.115E-01 -.255E-02
   -.184E+03 0.575E+02 -.476E+02   0.184E+03 -.572E+02 0.479E+02   -.948E-02 0.157E+00 -.489E+00   -.478E-02 -.108E-01 -.236E-02
   -.705E+02 0.833E+02 0.149E+03   0.704E+02 -.837E+02 -.151E+03   -.645E+00 0.184E+01 0.178E+01   -.732E-02 -.977E-02 -.238E-02
   0.138E+02 0.887E+02 0.844E+02   -.152E+02 -.893E+02 -.845E+02   -.135E+00 0.570E+00 0.365E+00   -.120E-01 -.818E-02 0.322E-03
   -.210E+03 0.808E+02 -.249E+03   0.209E+03 -.812E+02 0.250E+03   0.318E+00 0.131E+01 -.106E+01   -.468E-02 -.705E-02 -.285E-03
   -.155E+03 0.492E+02 -.316E+03   0.155E+03 -.495E+02 0.317E+03   0.179E+00 0.327E+00 -.188E+01   -.691E-02 -.411E-02 0.225E-02
   -.488E+02 0.761E+02 -.180E+03   0.485E+02 -.778E+02 0.180E+03   -.127E+00 0.395E+00 -.152E+01   -.115E-01 -.522E-02 0.223E-02
   -.525E+01 0.132E+03 -.989E+02   0.512E+01 -.139E+03 0.947E+02   0.236E+00 0.453E+01 -.384E-01   -.149E-01 -.504E-02 0.259E-02
   0.778E+02 0.856E+02 0.112E+03   -.810E+02 -.884E+02 -.106E+03   0.268E+00 0.312E+01 -.121E+01   -.141E-01 -.408E-02 -.256E-02
   0.991E+02 0.780E+02 0.103E+03   -.988E+02 -.733E+02 -.105E+03   -.166E+01 -.509E+01 0.192E+01   -.168E-01 0.350E-02 -.520E-02
   0.367E+02 0.164E+03 0.299E+03   -.369E+02 -.165E+03 -.301E+03   -.916E+00 0.756E+00 0.275E+01   -.110E-01 0.890E-02 -.159E-01
   -.155E+02 0.175E+03 0.241E+03   0.168E+02 -.175E+03 -.244E+03   -.259E+01 -.966E+00 0.425E+01   -.637E-02 0.176E-01 -.221E-01
   0.113E+03 0.932E+02 -.780E+02   -.114E+03 -.936E+02 0.809E+02   0.705E-04 0.411E+00 -.321E+01   -.167E-01 0.636E-02 -.442E-02
   0.849E+02 0.665E+02 -.145E+02   -.847E+02 -.683E+02 0.123E+02   -.788E+00 0.143E+01 0.231E+01   -.120E-01 0.139E-01 -.757E-02
   0.553E+02 0.618E+02 0.106E+03   -.557E+02 -.614E+02 -.107E+03   -.258E+00 -.176E+00 0.131E+01   -.633E-02 0.216E-01 -.187E-01
   -.105E+03 -.397E+02 0.427E+02   0.105E+03 0.399E+02 -.419E+02   0.107E+01 -.661E-01 -.737E+00   -.568E-02 0.185E-01 -.174E-01
   -.323E+03 -.628E+02 0.144E+03   0.324E+03 0.645E+02 -.142E+03   -.103E+01 -.168E+01 -.300E+01   -.796E-02 0.108E-01 -.179E-01
   -.362E+03 -.107E+03 0.196E+03   0.362E+03 0.108E+03 -.199E+03   0.885E+00 -.699E+00 0.316E+01   -.819E-02 0.462E-02 -.140E-01
   -.115E+03 -.192E+03 -.120E+03   0.115E+03 0.192E+03 0.122E+03   0.695E+00 0.113E+01 -.402E+01   -.433E-02 0.133E-01 -.149E-01
   -.172E+03 -.183E+03 -.189E+03   0.171E+03 0.183E+03 0.191E+03   0.706E+00 -.924E+00 -.256E+01   -.327E-02 0.878E-02 -.112E-01
   -.277E+03 -.948E+02 0.143E+02   0.277E+03 0.903E+02 -.125E+02   0.999E+00 0.537E+01 -.205E+01   -.510E-02 0.694E-02 -.103E-01
   -.253E+03 0.233E+02 0.208E+03   0.247E+03 -.169E+02 -.198E+03   0.514E+01 -.648E+01 -.886E+01   -.937E-02 0.113E-01 -.215E-01
   -.425E+01 0.152E+01 -.928E+02   0.776E+01 -.838E+01 0.835E+02   -.321E+01 0.724E+01 0.845E+01   -.108E-01 0.161E-01 -.439E-02
   -.500E+03 -.919E+02 0.819E+02   0.502E+03 0.938E+02 -.826E+02   0.194E+00 0.420E+00 0.201E+01   0.968E-02 0.138E-01 -.798E-02
   -.479E+03 -.118E+03 -.823E+02   0.481E+03 0.119E+03 0.813E+02   0.748E+00 -.328E+00 -.410E+00   0.519E-02 0.201E-01 0.647E-02
   -.421E+03 -.103E+03 -.115E+03   0.422E+03 0.103E+03 0.117E+03   -.545E+00 -.204E+01 -.179E+01   0.299E-02 0.213E-01 0.132E-01
   -.403E+03 -.802E+02 0.175E+03   0.403E+03 0.796E+02 -.177E+03   0.517E+00 -.777E+00 0.237E+01   0.813E-02 0.862E-02 -.144E-01
   -.334E+03 -.132E+03 0.137E+03   0.334E+03 0.132E+03 -.137E+03   -.124E+00 -.982E+00 0.118E+01   0.720E-02 0.179E-01 -.422E-02
   -.331E+03 -.981E+02 0.278E+02   0.332E+03 0.981E+02 -.285E+02   0.319E+00 -.944E+00 0.367E+00   0.510E-02 0.255E-01 0.585E-02
   -.526E+03 -.978E+02 -.131E+02   0.528E+03 0.103E+03 0.161E+02   -.120E+00 -.412E+01 0.528E+00   0.699E-02 -.121E-01 -.663E-03
   -.494E+03 -.682E+02 -.506E+02   0.497E+03 0.706E+02 0.420E+02   -.658E+00 -.308E+01 0.292E+01   -.940E-03 -.509E-02 0.157E-01
   -.270E+03 0.203E+02 0.470E+02   0.270E+03 -.198E+02 -.471E+02   -.390E-01 0.104E-03 0.299E+00   0.336E-02 0.238E-01 0.721E-02
   -.307E+03 0.108E+03 -.410E+02   0.307E+03 -.109E+03 0.423E+02   0.280E+00 0.176E+01 -.896E+00   0.196E-03 0.184E-01 0.747E-02
   -.324E+03 0.143E+03 0.276E+02   0.324E+03 -.143E+03 -.276E+02   0.565E+00 0.558E+00 -.721E+00   -.181E-02 0.178E-01 0.963E-02
   -.225E+03 0.306E+02 0.141E+03   0.226E+03 -.305E+02 -.142E+03   -.265E+00 0.518E+00 0.137E+01   0.279E-02 0.147E-01 0.730E-02
   -.234E+03 -.780E+01 0.154E+03   0.234E+03 0.849E+01 -.155E+03   -.337E+00 -.714E+00 0.231E+01   -.230E-03 0.106E-01 0.989E-02
   -.308E+03 0.620E+02 0.142E+03   0.309E+03 -.628E+02 -.143E+03   -.278E+00 0.184E+00 0.967E+00   -.260E-02 0.142E-01 0.108E-01
   -.325E+03 0.120E+03 0.108E+03   0.324E+03 -.129E+03 -.105E+03   0.682E+00 0.459E+01 0.721E+00   -.631E-02 0.148E-01 0.164E-01
   -.369E+03 0.139E+03 0.943E+02   0.371E+03 -.138E+03 -.102E+03   -.149E+00 0.237E+01 0.293E+01   -.251E-02 0.205E-01 0.307E-02
   -.349E+03 0.118E+03 0.106E+03   0.350E+03 -.114E+03 -.102E+03   0.508E+00 -.374E+01 -.407E+01   -.225E-02 0.170E-01 0.433E-03
   -.210E+03 0.232E+03 0.489E+02   0.210E+03 -.233E+03 -.470E+02   0.332E+00 0.145E+01 -.257E+01   -.184E-02 0.201E-01 -.137E-01
   -.115E+03 0.142E+03 0.115E+03   0.114E+03 -.143E+03 -.113E+03   0.559E+00 0.526E+00 -.511E+01   -.137E-02 0.108E-01 -.185E-01
   -.396E+03 0.112E+03 0.196E+03   0.398E+03 -.112E+03 -.198E+03   -.427E+00 -.102E+01 0.237E+01   -.956E-02 -.538E-02 0.558E-02
   -.339E+03 0.106E+03 0.114E+03   0.338E+03 -.109E+03 -.113E+03   0.133E+01 0.142E+01 -.192E+01   -.801E-02 -.162E-01 0.277E-02
   -.209E+03 0.447E+02 0.105E+03   0.209E+03 -.455E+02 -.105E+03   0.392E+00 0.627E+00 -.770E+00   -.581E-02 -.156E-01 -.721E-02
   -.171E+03 -.762E+01 0.111E+03   0.171E+03 0.814E+01 -.112E+03   -.858E-01 -.185E+00 0.165E+01   -.489E-02 -.118E-01 -.122E-01
   -.193E+02 -.765E+02 0.731E+02   0.199E+02 0.795E+02 -.756E+02   -.188E+01 -.188E+01 0.209E+01   -.291E-02 -.209E-02 -.181E-01
   0.376E+02 -.836E+02 -.501E+02   -.389E+02 0.837E+02 0.536E+02   0.283E+00 0.149E+01 -.270E+01   -.163E-02 -.202E-02 -.133E-01
   -.271E+03 -.137E+03 0.136E+03   0.272E+03 0.137E+03 -.139E+03   -.186E+01 -.372E+00 0.417E+01   -.600E-02 -.170E-01 -.240E-02
   -.115E+03 -.249E+03 0.185E+03   0.114E+03 0.251E+03 -.187E+03   0.618E-01 -.138E+01 0.263E+01   -.350E-02 -.154E-01 -.215E-03
   0.821E+01 -.110E+03 0.851E+02   -.875E+01 0.106E+03 -.892E+02   -.357E+00 0.388E+01 0.397E+01   -.974E-03 -.106E-01 -.700E-02
   0.914E+02 -.839E+02 0.567E+02   -.905E+02 0.938E+02 -.629E+02   -.905E+00 -.117E+02 0.503E+01   -.185E-02 0.434E-02 -.224E-01
   -.409E+03 0.105E+03 0.862E+02   0.410E+03 -.117E+03 -.804E+02   0.176E+01 0.109E+02 -.496E+01   -.879E-02 -.204E-01 0.511E-02
   -.156E+03 -.657E+02 -.123E+03   0.156E+03 0.662E+02 0.124E+03   -.127E+00 0.284E+00 -.155E+01   -.333E-01 0.846E-02 0.130E-01
   -.129E+03 -.183E+03 0.258E+02   0.128E+03 0.184E+03 -.263E+02   0.436E+00 -.452E+00 0.881E+00   -.297E-01 0.156E-01 0.107E-01
   -.160E+03 -.169E+03 0.789E+02   0.159E+03 0.171E+03 -.799E+02   -.443E+00 -.216E+01 0.495E+00   -.194E-01 0.162E-01 0.847E-02
   -.250E+03 0.103E+02 -.205E+03   0.250E+03 -.108E+02 0.207E+03   0.292E+00 0.977E+00 -.236E+01   -.248E-01 0.541E-02 0.959E-02
   -.252E+03 -.549E+02 -.169E+03   0.251E+03 0.547E+02 0.170E+03   0.469E+00 -.566E+00 -.150E+01   -.181E-01 0.793E-02 0.578E-02
   -.206E+03 -.796E+02 -.269E+02   0.206E+03 0.794E+02 0.272E+02   0.929E-01 0.414E-02 -.314E+00   -.147E-01 0.141E-01 0.603E-02
   -.888E+02 -.101E+03 -.890E+02   0.888E+02 0.110E+03 0.881E+02   -.673E+00 -.389E+01 -.225E+01   -.386E-01 -.228E-02 0.154E-01
   -.867E+02 -.149E+03 -.184E+02   0.828E+02 0.148E+03 0.284E+02   -.148E-01 -.203E+01 -.295E+01   -.320E-01 0.167E-01 0.116E-02
   -.155E+03 0.388E+02 0.280E+02   0.154E+03 -.387E+02 -.276E+02   -.407E-02 0.471E+00 -.491E+00   -.844E-02 0.136E-01 0.340E-02
   -.634E+02 0.536E+02 0.161E+03   0.632E+02 -.540E+02 -.162E+03   -.495E+00 0.149E+01 0.176E+01   -.504E-02 0.138E-01 0.392E-02
   0.197E+02 0.756E+02 0.134E+03   -.209E+02 -.764E+02 -.134E+03   -.189E+00 0.387E+00 0.342E+00   0.136E-02 0.134E-01 0.681E-03
   -.169E+03 0.864E+02 -.719E+02   0.169E+03 -.874E+02 0.732E+02   0.535E+00 0.176E+01 -.151E+01   -.710E-02 0.928E-02 -.169E-02
   -.107E+03 0.461E+02 -.861E+02   0.107E+03 -.462E+02 0.883E+02   0.603E+00 0.223E+00 -.248E+01   -.247E-02 0.759E-02 -.461E-02
   0.462E+01 0.519E+02 -.304E+01   -.472E+01 -.529E+02 0.330E+01   0.377E-01 0.377E+00 -.141E+01   0.230E-02 0.995E-02 -.261E-02
   0.458E+02 0.101E+03 0.879E+02   -.447E+02 -.107E+03 -.930E+02   -.461E-01 0.415E+01 0.140E+00   0.728E-02 0.909E-02 -.391E-02
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 -----------------------------------------------------------------------------------------------
   -.308E+02 0.521E+02 0.239E+00   0.105E-10 0.523E-11 0.261E-11   0.330E+02 -.516E+02 -.461E+00   -.216E+01 -.514E+00 0.229E+00
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.61798      3.12466      1.38218         0.584672      0.831658      0.755227
     12.41474      3.57916      2.73248         1.298332      0.320931     -0.805915
     12.45456      5.01172      3.01008         0.850784     -1.234130     -0.011731
     12.79739      4.08619      0.35839         0.263034     -0.192958      0.445464
     12.85080      5.46524      0.66170         0.007634     -0.909618      0.130902
     12.68769      5.96853      1.97943         0.315847     -0.529940     -0.020695
     12.59654      1.62612      1.24569         0.236353      3.613316      5.993984
     12.16899      2.38445      3.66829         2.187721     -0.352919     -6.154086
     12.81884      7.44784      2.20111         0.126745      0.423018      0.259950
     12.68926      8.06106      3.48047         0.570002      0.982818      0.306094
     12.90889      9.47330      3.67361         1.006716     -0.193784     -0.760253
     13.13572      8.30477      1.10943         0.056529      0.770122      0.438138
     13.32726      9.69997      1.26395        -0.004572     -0.079739      0.593869
     13.24543     10.28894      2.55028        -0.114747     -0.500109      0.236814
     13.40680     11.77090      2.90523        -0.793585     -6.451055      4.732407
     12.87721     10.28206      4.99033         3.589640      2.637508     -6.914427
     13.35127     12.86182      5.34849         1.668615      0.345141      0.345292
     13.03737     12.77889      6.71044         1.447891      0.602338     -0.003956
     13.17483     13.90393      7.52379         0.639660     -0.682298     -2.145261
     13.70104     14.18716      4.86906         1.000944     -0.991213      0.349922
     13.78176     15.31706      5.70368         0.490276     -1.597434      0.025426
     13.50109     15.19847      7.09222         0.763214     -0.379365      0.026978
     13.61203     16.30868      8.05306         0.480579      0.159621      0.495680
     13.18821     16.19381      9.40192         0.229638      0.235565      0.093817
     13.34976     17.26022     10.29375        -0.015125      0.000884      0.220746
     14.15115     17.56748      7.69626         0.308261     -0.213090      1.499004
     14.29655     18.64216      8.55633         0.046414     -0.621547      0.651750
     13.90935     18.47163      9.87890         0.065262      0.059871      0.259660
     12.55165     14.94680      9.92121         0.503149      0.282608     -0.700933
     14.20101     16.59391      5.10822         1.565404     -0.710049      0.962878
      9.73394      3.79127      4.82023        -0.077461      1.250011     -0.544400
      9.98264      4.75230      3.79634        -0.692513      0.183888      0.881525
     10.07339      6.13416      4.16602        -0.411301     -0.843206     -0.641402
      9.56062      4.21231      6.15117         0.212592     -0.148116     -0.256545
      9.66972      5.56329      6.49580         0.143001     -0.467256     -0.570127
      9.96047      6.55410      5.51612        -0.199252     -0.424856     -0.054475
      9.66652      2.40914      4.31608        -0.349295      1.204277     -1.810864
     10.16479      4.09428      2.41663        -2.160882     -2.703173      5.742663
     10.11717      7.97367      5.91746        -0.182042      0.487534     -0.193164
     10.45349      8.94945      4.94559        -0.766426      1.409267      0.029466
     10.56551     10.32424      5.28592        -1.510563      0.018149      0.315951
      9.91048      8.40844      7.24659         0.186723      0.933605      0.019168
     10.04165      9.77948      7.61247         0.009545      0.001618     -0.411352
     10.35870     10.75523      6.64438        -0.450993     -1.257966     -1.227351
     10.52914     12.21563      6.78779         0.089694     -2.262821     -4.276808
     11.02643     11.52453      4.38240        -2.904991      0.350519      4.771761
     11.18545     14.06001      4.96716        -1.383230     -0.393433      0.125150
     11.61437     14.40776      3.66831        -1.073793      0.264986      0.463986
     11.89868     15.73716      3.37160        -1.355986     -0.765163      1.438229
     11.08256     15.11548      5.91041        -0.915827     -0.037105     -0.279490
     11.26709     16.46899      5.54705        -0.610457     -0.330553      0.092001
     11.65989     16.81786      4.22259        -0.651823      0.174492      0.281218
     11.96738     18.22465      3.82180         0.434380      0.161471      0.042919
     12.44040     18.60069      2.55241         0.508998      0.019127     -0.977461
     12.44168     19.96228      2.15628         1.369632     -0.021920      0.471287
     11.83343     19.29048      4.72560         0.568517      1.222337     -2.005798
     11.94768     20.64140      4.41175         0.491196     -0.367172     -0.314079
     12.23455     21.01371      3.09374         1.090842      0.877358     -0.282692
     12.69006     17.52155      1.39631        -1.510186      0.018882      1.118153
     11.02035     17.51129      6.64090         0.291744      0.391801     -0.836609
      9.83647      7.11042     14.53564         1.452995      2.315870      1.202530
      9.65201      7.60252     15.89813         2.417418      0.671189     -1.438599
      9.79471      9.04161     16.17614         0.796104     -1.699878      0.172834
     10.02283      8.12401     13.50269         0.845163     -1.378348      0.982753
     10.13498      9.49638     13.81647         0.094123     -0.475540      0.545992
     10.01012     10.00861     15.15978         0.566066     -0.887950     -0.349895
      9.65313      5.67220     14.46377         2.171401      0.587061      3.538664
      9.41370      6.45277     16.84777         2.383680     -0.601327     -5.707622
     10.14650     11.46934     15.45532         0.344666      0.531815      0.187562
     10.04377     12.02272     16.76751         0.681937      0.831679      0.401489
     10.19825     13.43872     17.02449         0.924162     -0.071425     -0.793079
     10.43692     12.38188     14.39744         0.048463      0.633259      0.414466
     10.59235     13.76536     14.61485        -0.032562     -0.014342      0.556189
     10.45758     14.30380     15.92221         0.139404     -0.649480      0.232698
     10.50325     15.77657     16.29200         0.261862     -4.452253      3.648067
     10.08531     14.22398     18.36084         2.111830      2.434512     -5.228813
     10.31289     16.89720     18.75760         0.991430     -0.196061     -0.303082
     10.08463     16.81540     20.13598         0.345306      0.466328     -0.696922
     10.02315     17.98312     20.89400         0.066805     -0.510585     -2.593325
     10.48719     18.24687     18.25080         1.049816     -0.734901      0.121309
     10.45274     19.40731     19.05671         0.904050     -1.245656     -0.529819
     10.23133     19.29747     20.45002         0.228364     -0.153304     -0.193116
     10.24233     20.43646      0.11566         0.044787      0.324348      0.349396
      9.91197     20.32919      1.49930        -1.275800      1.154142     -0.462974
      9.87253      0.14318      2.33644        -1.019290      1.665636      0.787448
     10.55296      0.49252     20.99409        -0.391162      0.190149      1.469934
     10.38639      1.63961      0.53003        -0.869954     -0.258713      0.487183
     10.05939      1.49428      1.88281        -0.900622     -0.120317     -0.081452
      9.55419     19.08489      2.13786        -0.003691     -1.799484     -1.243938
     10.69690     20.71481     18.39605         1.867441     -0.898601      0.850770
      7.20074      7.55494     17.55322        -0.909652      0.719915     -0.390424
      7.44888      8.50693     16.54331        -0.991819      0.553796      0.475820
      7.56838      9.91180     16.89915        -0.970489     -1.019805     -0.515922
      7.06370      7.97780     18.89749         0.093601      0.464902     -0.417770
      7.10532      9.34948     19.21165         0.149579     -0.756761     -0.553536
      7.37110     10.35324     18.22715        -0.391995     -0.174701     -0.008818
      7.09458      6.13300     17.01177        -0.699656      4.834274     -3.134426
      7.65739      7.82074     15.13551        -3.906070     -2.664245      7.146290
      7.38216     11.80306     18.63484        -0.143836      0.568575     -0.122312
      7.69264     12.86737     17.72926        -0.736856      1.135141      0.018209
      7.69278     14.24811     18.13068        -1.314903     -0.382420      0.637171
      7.04345     12.18470     19.95456         0.315249      0.759025     -0.188871
      7.01498     13.54510     20.36938         0.308862      0.120633     -0.296686
      7.33128     14.58370     19.48203        -0.063920     -0.629241     -1.149746
      7.36902     16.06707     19.73656         1.033387     -2.296483     -4.923190
      8.07741     15.50930     17.34839        -3.053959     -0.070415      5.934375
      7.99517     18.06873     18.07856        -1.296538     -0.911103     -0.016456
      8.57568     18.46007     16.86005        -1.110660      0.604973      0.471054
      8.82200     19.81831     16.62913        -0.838471     -0.962428      0.740278
      7.67465     19.09713     19.00203        -0.576517      0.203675     -0.580165
      7.83260     20.47426     18.67027        -1.171968     -0.708812      0.250123
      8.32806     20.88234     17.41678        -0.523796      0.031237     -0.212249
      8.64647      1.06753     17.04795        -0.671747     -0.013575     -0.158899
      8.97134      1.42283     15.73270         0.261411      0.657380     -0.108639
      9.18732      2.78619     15.37757         0.727466     -0.172911     -0.048765
      8.64661      2.15105     17.98767         0.205130      1.460701     -1.768549
      8.84186      3.50591     17.65661         0.606027     -1.588452     -1.000646
      9.13773      3.85662     16.30643         1.028470     -0.002246      0.164392
      9.12830      0.41613     14.63380        -0.912357     -0.093413     -0.625041
      7.41448      0.24477     19.72518         0.179469      0.054454     -0.961798
      7.04843     10.80976      6.11008        -0.185414      0.810083      0.857020
      6.84468     11.29994      7.44185         0.188808      0.454837     -0.989891
      6.97077     12.70054      7.70173        -0.134170     -0.920981      0.000364
      7.39194     11.71620      5.08394        -0.186942     -0.145771      0.336255
      7.52589     13.09962      5.36653        -0.239629     -0.873022      0.208135
      7.30322     13.63032      6.66268        -0.108887     -0.432261      0.212850
      6.87431      9.31929      6.03814        -0.405479      1.424662      2.988855
      6.51173     10.14522      8.39288         1.083776     -0.524963     -5.380057
      7.41955     15.10915      6.89503        -0.114111      0.362777      0.379379
      7.12283     15.73357      8.14936         0.013590      0.878510      0.261889
      7.22911     17.15509      8.32975         0.438128     -0.198427     -1.175712
      7.81585     15.95634      5.82838        -0.222434      0.845121      0.419339
      7.91216     17.35937      5.97965        -0.565737     -0.013573      0.486020
      7.65417     17.97090      7.23597        -0.544007     -0.754722      0.203520
      7.77414     19.43843      7.61762        -1.530874     -3.371341      3.016771
      6.99108     18.00687      9.56137         2.332704      1.978231     -4.683914
      7.30935     20.63617      9.96729         0.929259     -0.572215     -0.570403
      6.84975     20.57963     11.28462         1.263248      0.683068     -0.011722
      6.76391      0.48949     12.04494         0.975165     -1.005368     -2.807977
      7.71639      0.67320      9.54206         0.357753     -0.134287      0.010104
      7.69141      1.82390     10.38323         0.711530     -1.254128     -0.546896
      7.24576      1.76231     11.71548         0.289607     -0.521059     -0.013899
      7.26926      2.86432     12.69186         0.539988      0.939282      0.340821
      6.87541      2.81134     14.06292         0.449034      2.140576     -0.082605
      6.92189      3.89186     14.93114        -0.370255      2.055861      0.233238
      7.70882      4.16059     12.34004         0.446372     -0.183208      1.726446
      7.76318      5.29665     13.19923        -1.991407      0.489476      0.382979
      7.28611      5.20666     14.53714        -0.925857      0.347764      0.020366
      6.28332      1.71798     14.68841         1.479996     -4.951871     -1.818506
      8.18797      3.08974      9.82339         1.131768     -0.619774      1.643445
      4.03521     11.47348     10.77755        -0.123280      0.755532     -0.359603
      3.73886     12.38878      9.71076         0.291935     -0.077379      0.911373
      3.82492     13.79588      9.95543        -0.070288     -0.861673     -0.291014
      4.36904     11.98360     12.05964        -0.140245      0.051203     -0.663855
      4.42631     13.38679     12.28122        -0.080009     -0.786637     -0.363970
      4.17610     14.32101     11.24574        -0.155169     -0.331787     -0.439819
      3.93195     10.01403     10.33425        -1.482590      4.700334     -3.150108
      3.35624     11.62854      8.42123         1.134859     -2.150961      4.323066
      4.28016     15.79633     11.50225        -0.075266      0.358009     -0.365834
      4.16745     16.74726     10.44447        -0.310453      0.794449     -0.328062
      4.31931     18.14846     10.66893        -0.893246     -1.340496      0.046321
      4.53376     16.30359     12.80469         0.380381      0.763992     -0.368242
      4.69320     17.68687     13.03655         0.298870     -0.219560     -0.462072
      4.55197     18.60952     11.98053        -0.634785     -2.885037     -1.474374
      4.65664     19.97790     11.90277         0.020857      6.785932      4.576040
      4.34838     19.29782      9.66006        -0.258594      0.395746      3.463784
      4.73872      0.65523     10.08461        -0.649943      0.014627      0.574832
      4.99121      0.97209      8.73962        -0.456817     -0.064406      0.503425
      5.28683      2.28492      8.37339        -0.895981     -0.565956      1.815325
      4.74143      1.76347     10.99331        -0.764381     -0.291833     -0.294682
      4.96728      3.10462     10.59448        -0.923156     -0.623915     -0.245220
      5.29263      3.38553      9.23609         0.510929      0.440275      0.281598
      5.79067      4.79570      8.75396         0.267591      0.115775      0.344788
      6.14636      5.08017      7.42787         0.656645      0.493857      0.258262
      6.39068      6.43243      7.05193         0.719409     -0.574740     -0.198039
      5.75813      5.90716      9.65202         1.195007      2.607404     -3.310201
      5.94929      7.27106      9.25332         0.765426     -3.062386     -0.518989
      6.27756      7.52500      7.90837         0.707926      1.272932      0.283619
      6.20738      3.95922      6.37375        -0.573851     -0.054107      0.574924
      4.83705      4.14766     11.67672         0.345579      0.857669     -0.934867
      1.48072     14.32975      0.57347        -1.028927      1.151981      1.084496
      1.93504     14.74575      1.86970        -1.114014      0.558809     -0.610855
      1.79123     16.16016      2.20469        -0.244227     -0.941429      0.154188
      0.88404     15.30470     20.92777        -0.248220     -0.089896      2.050553
      0.88830     16.67134     -0.01420        -0.397014     -1.939356      0.433683
      1.27434     17.14012      1.27499        -0.227591     -0.443973      0.197376
      1.64274     12.85807      0.34162         0.604192      1.818386      4.692881
      2.52547     13.53145      2.63299        -2.843432      0.154770     -5.596939
      1.09674     18.62212      1.49450        -0.192401      0.528192      0.256493
      1.44066     19.30008      2.70343        -0.090073      0.637202      0.558290
      1.33734     20.72113      2.83729        -0.824581     -0.272736     -1.086227
      0.56673     19.44794      0.43630         0.136591      0.456446      0.838982
      0.42646     20.84562      0.55747        -0.205134      0.027771      0.318832
      0.81735      0.23682      1.74268        -0.170598     -1.067299      0.859091
      0.82451      1.71757      2.02264         0.915234     -3.247206      3.236394
      1.71632      0.36325      4.00115        -2.144085      1.413395     -4.813172
      1.57869      2.98615      4.16016        -0.396312      0.150211     -0.676980
      2.12220      2.94642      5.43850        -0.358691     -0.320286     -0.465001
      2.32172      4.12753      6.10775        -1.116050     -0.139610     -2.040370
      1.23607      4.27844      3.64383        -0.307336     -0.723637      0.259807
      1.49683      5.45827      4.35504        -0.913796     -0.836990     -0.026693
      2.11530      5.42910      5.62999        -0.732388     -0.211095      0.174290
      2.43639      6.60849      6.46526        -1.391483      1.333195     -1.206811
      3.04591      6.52244      7.68936        -1.039674      2.752152     -0.132324
      3.36293      7.66542      8.46124        -0.063415      0.190174      0.673293
      2.22016      7.95477      6.01302         0.523540      1.003556      2.237819
      2.63978      9.11544      6.69713        -0.390954     -1.590248      0.553587
      3.17404      8.98055      8.00833        -0.066683      0.981871      0.201225
      3.21679      5.24154      8.21237         0.030243     -0.820572      5.234646
      0.99430      6.72602      3.74852        -0.815845     -0.874600      1.105950
      4.61100     14.01362      0.76084        -0.134540      0.798827     -0.165454
      3.82154     14.96225      0.02406         1.040732      0.246492      0.259419
      3.86176     16.37191      0.40998         0.549394     -0.876905     -0.740100
      5.43460     14.49400      1.82543        -0.638255      0.232254     -0.374513
      5.44829     15.87060      2.18228        -0.356387     -0.664048     -0.505478
      4.66893     16.85553      1.49488         0.136501     -0.034152     -0.241648
      4.48992     12.57560      0.23299        -2.633546      4.735277     -2.094964
      3.00030     14.23229     20.16928         7.003048     -2.782609      4.866895
      4.76045     18.34225      1.93049        -0.112425      0.278011     -0.190481
      4.04508     19.42954      1.30525         0.238020      0.838819      0.067749
      4.15229     20.80222      1.75801         0.842264     -0.525453      0.376504
      5.61196     18.71443      3.01681        -0.214440      0.817714     -0.016094
      5.75208     20.05933      3.46908        -0.385373      0.096972     -0.361746
      5.02301     21.10794      2.85087        -0.424566     -0.547315     -0.626682
      5.04257      1.33599      3.18497        -2.165411     -1.257166     -2.836131
      3.47634      0.84400      1.24184         4.167539     -0.276069      3.967984
      3.70693      3.43862      2.14789         1.263202     -0.962181      0.515715
      2.88165      3.99846      1.15502         0.577725     -1.518976      0.362029
      2.63194      5.33704      1.14780         0.499061      0.281547      1.440925
      4.21310      4.35635      3.12278        -0.082483     -0.598903     -0.823229
      3.98024      5.75479      3.03944         0.545693     -0.556419     -0.705893
      3.28714      6.34238      1.96433         0.087185     -0.163154     -0.294684
      3.15295      7.92207      1.77292         1.560123      0.405129      1.552500
      2.35659      8.51453      0.79804        -0.046131      1.717497      1.475603
      2.14861      9.90490      0.71841        -0.564026     -0.064446      0.163219
      3.63417      8.87915      2.77903        -1.537884      2.674930     -2.953555
      3.32653     10.30406      2.78001        -0.090485     -2.730936     -1.827835
      2.58817     10.82401      1.68084        -0.068942      1.693876      0.901090
      1.79113      7.59074     21.09527         0.136823      0.123740      1.694014
      4.59156      6.61537      4.09595         0.291049     -0.681731     -2.007641
     18.35413     17.28873     13.25151         0.265594      0.687068      0.593261
     19.46998     17.79384     13.99898        -1.357720      0.327116      0.319330
     19.61598     19.22113     14.14951        -0.420292     -1.214329      0.952750
     17.43711     18.20969     12.67206         0.327809     -0.176229      0.298674
     17.60909     19.60233     12.84363         0.156636     -0.934313      0.169075
     18.68309     20.13389     13.60800        -0.080961     -0.487721      0.178581
     18.33538     15.76914     13.20905         3.926066      4.256739      3.027226
     20.37363     16.66713     14.46250        -4.601518     -0.734246     -1.097757
     18.79489      0.33815     13.85045         0.340331      0.393765      0.241973
     19.88085      0.91065     14.59171         0.005036      1.124952      0.400822
     19.92901      2.31002     14.89677        -1.537678     -0.293390     -0.421035
     17.78022      1.21036     13.39590         0.262603      0.783342      0.302811
     17.79579      2.58944     13.70299         0.279377      0.136809      0.085259
     18.85347      3.14618     14.45272         0.423668     -1.035765     -0.065678
     19.02027      4.55607     14.88041         2.251008     -2.316640      1.655173
     20.90108      3.10765     15.73927        -7.456277      2.589607     -1.931865
     20.92743      5.66342     16.38575        -0.590535     -0.136601      1.598482
      0.99478      5.62791     16.94387        -2.861143     -1.544252      0.848139
      1.54029      6.78958     17.34440         2.037463      0.126482      0.394647
     20.35451      6.97168     16.39194        -0.115632     -0.869715      0.754658
     20.94582      8.10166     17.07014        -1.039438     -0.998606      0.241811
      0.96917      8.04669     17.57969        -0.348202     -0.603917      0.359525
      1.70123      9.16241     18.19827        -0.679326      3.026393      2.640820
      2.99218      9.10438     18.93437        -1.249733      1.473662     -0.014277
      3.50150     10.19255     19.65481        -0.355528      1.046635     -0.964426
      1.01605     10.41526     18.48375         4.775087     -1.445283      1.423173
      1.72622     11.62590     18.95833        -0.436908      0.010687     -0.313531
      2.98526     11.54419     19.58695         0.799120     -0.077588     -0.003952
      3.75996      7.89799     18.95931        -0.979617     -1.117791     -0.482502
     20.18288      9.31895     17.16812        -2.501360      0.798016      0.239973
      2.07541     18.09574     14.09073        -0.441658      0.542577      0.493369
      1.21581     19.07602     13.51763         0.985834     -0.227322      0.131257
      1.41783     20.45530     13.84684        -0.197622     -0.845083     -0.542991
      3.13954     18.51755     14.93779        -0.957542      0.127085     -0.041318
      3.38473     19.89463     15.15372        -0.464549     -0.520352      0.007522
      2.50344     20.89768     14.65406        -0.461657     -0.479526     -0.178224
      1.64805     16.66516     13.79994        -2.131455      6.520506     -2.121855
      0.17433     18.45078     12.57974         4.582398     -3.198050      2.158691
      2.69542      1.08678     14.93727        -0.415705      0.622169      0.279642
      1.81434      2.05676     14.43229         0.329972      1.957798     -0.574462
      1.96054      3.49646     14.74896         1.209091     -1.550679     -1.431973
      3.75361      1.56165     15.77176        -1.002363      0.597557      0.827198
      3.95085      2.92086     16.06352        -0.742838      0.037995      0.219866
      3.04461      3.90066     15.56690        -0.529226     -3.179435     -1.510516
      3.04412      5.26794     15.73566         0.922112      4.299681     -0.074237
      1.05273      4.67327     14.31855         7.270583      0.722263      2.708760
      1.31149      7.23860     14.91926         1.311567     -0.495843     -1.092229
      0.08294      7.55552     14.33205         1.037158     -0.239485     -0.416876
     20.90489      8.87434     14.29725         1.809462      0.010282     -0.044539
      1.96411      8.31905     15.60651         0.949049     -0.626579     -1.779336
      1.54224      9.65610     15.48783         0.340636     -0.406369     -1.389923
      0.35083      9.97968     14.76154         0.611857      0.042632     -0.367845
     21.02234     11.36145     14.67303        -0.331122      0.042484      0.249998
     19.73305     11.62014     14.14974        -0.597307      0.266818     -0.186273
     19.31730     12.94852     13.89522        -0.636339      0.175851      0.860136
      0.45740     12.50283     15.12504        -1.411827      0.559114     -1.184135
      0.03519     13.80467     14.97080        -1.064066      0.125936      0.084458
     20.08293     14.06784     14.30207        -0.809021      0.704970      0.848766
     18.80286     10.51605     13.55871         0.926550     -1.594838      0.400510
      2.38147     10.66759     16.12390        -0.925949      1.497941     -0.782734
     16.21232      0.40446      5.08714         0.219764      0.649722      0.923132
     17.12727      0.92110      6.06095        -1.349407      0.265982     -0.244886
     17.14004      2.32193      6.34423        -0.389205     -0.996719      0.264820
     15.28905      1.27766      4.48922         0.192460     -0.141842      0.096449
     15.31901      2.66579      4.77561         0.310701     -0.789788      0.108353
     16.25003      3.22799      5.67836         0.065239     -0.480820      0.208626
     16.39446     20.18260      4.86254         2.536889      2.748162      3.523400
     17.99023     21.05839      6.63977        -6.617175     -0.631495     -3.928381
     16.26982      4.70206      5.93587         0.208736      0.388445      0.319079
     17.17965      5.30226      6.86326         0.020329      0.879110      0.331503
     17.17698      6.71068      7.11663        -1.042934     -0.145294     -0.804229
     15.36755      5.56615      5.26379         0.259077      0.872044      0.393283
     15.34965      6.96757      5.49991         0.463608     -0.017382      0.394714
     16.24751      7.55436      6.42745         0.346796     -0.802315      0.104243
     16.39523      9.01455      6.83171         2.575644     -3.348824      1.755249
     18.00352      7.52015      8.08808        -3.443121      1.831460     -2.004969
     18.04820     10.13590      8.58647        -0.925979     -0.104719      0.048293
     19.07038     10.01521      9.52125        -0.888023      0.222025      0.387195
     19.58653     11.14521     10.16128        -1.725529     -0.653098     -1.405502
     17.57544     11.46780      8.37193        -0.313428     -0.209855      0.100535
     18.08005     12.59016      9.06798        -0.888010     -0.927462     -0.256420
     19.12686     12.45542     10.01616        -0.516945     -0.092999      0.131713
     19.72525     13.57140     10.77029         0.007559      0.683905      0.801869
     20.87152     13.46306     11.62374        -0.200068      0.976258     -0.681093
      0.22381     14.51325     12.21013         1.485772      2.569630      0.247144
     19.23876     14.89062     10.73259         0.323479     -0.042856      0.746647
     19.82951     16.02101     11.34366         0.624830     -0.178185      0.049965
     21.04119     15.86851     12.04479        -0.025274      0.450411     -0.590076
      0.26847     12.21601     11.91462        -0.481891     -0.911234     -0.575920
     17.46426     13.91776      8.75090        -0.622297     -1.032568      1.430211
     20.13322      1.22591      6.23379         0.864020      0.532952     -0.338318
     19.58031      2.28578      5.47082         1.256149      0.096450      0.668216
     19.77300      3.62142      5.92634        -0.062637     -0.608243     -0.812846
     20.80199      1.49123      7.47016        -0.241524      0.474123     -0.983881
     20.94794      2.82308      7.90423        -0.359752     -0.706026     -0.683200
     20.45256      3.91539      7.13110         0.014627     -0.214008     -0.103689
     19.85261     21.10722      5.58132        -0.020585      7.261786     -3.486726
     18.84919      1.77601      4.23369         2.242283     -2.138468      2.141189
     20.65747      5.32461      7.56159        -0.166525      0.568412     -0.189636
     20.22563      6.38619      6.72077         0.113622      0.888367     -0.506505
     20.42072      7.74789      7.06344         0.298158     -1.691014     -0.447475
      0.01213      5.67036      8.79251        -0.259814      1.262769      0.020097
      0.24180      7.02593      9.15669        -0.179418     -0.199215     -0.262845
     21.05445      8.05672      8.29098        -0.304400     -2.746599     -2.031276
     21.02995      9.42277      8.30452         4.666142      7.737094      5.988115
     19.96641      8.99918      6.31502         2.204177     -0.441453      3.403228
     20.19945     11.55192      6.96583         0.751376      0.060208      0.534459
     19.41434     11.95178      5.87462         0.325527     -0.173005      0.348711
     19.10746     13.29979      5.68742         1.301362     -0.903508      1.154075
     20.72909     12.61640      7.77777         0.249906     -0.354446     -0.611179
     20.47488     13.98098      7.50991         0.488710     -0.740435     -0.598049
     19.59219     14.36950      6.44990         0.699781     -0.189435     -0.079610
     19.12049     15.76844      6.22050         0.301772      0.265895     -0.175739
     18.23733     16.11799      5.17745        -0.054353      0.853187     -0.246275
     17.75271     17.44518      5.04992         0.270797      0.033830     -0.205640
     19.47719     16.84124      7.08155        -1.365701      1.032956     -1.620389
     19.00790     18.14892      6.97765        -0.685743     -0.540524     -0.498692
     18.09259     18.48098      5.95039        -0.479130      0.252429     -0.011011
     17.79013     15.12535      4.13155         0.598765     -0.084460      0.778770
     21.15124     15.01706      8.37164        -0.076198      0.275815     -1.175539
     12.20393      5.33452      4.02563         0.640597     -0.115807     -0.187025
     12.90319      3.73700     20.57985         0.042451      0.160254      0.207255
     13.02349      6.16382     21.10189        -0.065651     -0.236923     -0.035943
     12.39732      7.46174      4.35916         0.342386      0.162056     -0.329148
     13.25598      7.87598      0.11425        -0.013646      0.246116      0.041053
     13.55289     10.34325      0.40190        -0.033136     -0.252009      0.124645
     12.96834     13.70776      8.51874         0.417106     -0.784774      0.074108
     12.69107     11.84209      7.13570         0.504279     -0.031841      0.180133
     13.87413     14.29125      3.80187         0.492777      0.050136      0.244194
     13.03360     17.13772     11.33617         0.029708      0.034355     -0.182491
     14.39164     17.76525      6.69605         0.464488      0.501407      0.874246
     14.69544     19.58781      8.19057         0.039585      0.035803      0.002851
     10.24291      6.85566      3.35236        -0.114480     -0.180434      0.308501
      9.33009      3.44931      6.89509         0.281021      0.319310     -0.273350
      9.51246      5.85034      7.53537         0.079120     -0.089716     -0.035877
     10.71203      8.65890      3.92160        -0.677569      0.188952      0.327328
      9.61265      7.68735      8.01123         0.084909      0.192844      0.009397
      9.88378     10.10410      8.64973        -0.002240     -0.181663     -0.156034
     12.28177     15.90029      2.41745         0.293986     -0.692923      0.141178
     11.79665     13.64407      2.91915        -0.176667      0.172867     -0.040079
     10.85540     14.86195      6.94010        -0.264702      0.167566     -0.109239
     12.56479     20.20428      1.10193         0.346948     -0.066609      0.206095
     11.66756     19.09674      5.72747         0.270872      0.692575      0.295336
     11.81199      0.12349      5.18960        -0.002878      0.087558      0.124957
      9.62835      9.35118     17.22036         0.694014     -0.200288     -0.420141
     10.09335      7.76022     12.46715         0.036398      0.301671      0.195830
     10.30441     10.20924     12.99726        -0.108760     -0.376714      0.132655
      9.79015     11.38256     17.62718         0.315300      0.173849     -0.293517
     10.56004     12.00749     13.38027         0.000412      0.138432      0.048556
     10.83580     14.45190     13.79248        -0.130050     -0.247965      0.067689
      9.84003     17.80159      0.62719        -0.343897     -0.842769     -0.178873
      9.96198     15.85005     20.62088        -0.001749      0.052840      0.048648
     10.61229     18.35805     17.17395         0.728287     -0.016121      0.456773
      9.75129     -0.00554      3.41864        -0.399850     -0.007793     -0.590364
     10.75132      0.70539     19.97896         1.040456      0.539826      1.261890
     10.62804      2.62133      0.12391        -0.410538     -0.152051     -0.174176
      7.86370     10.60536     16.10082        -0.500727     -0.071881      0.271420
      6.89933      7.21564     19.66541         0.060151      0.226822     -0.036899
      6.90211      9.64556     20.23744         0.162826     -0.095153      0.103463
      8.00730     12.64018     16.70573        -0.696117      0.116617      0.204930
      6.75457     11.43174     20.68819         0.198506      0.175264     -0.089690
      6.72899     13.82505      0.13437         0.429009     -0.326214     -0.482603
      9.40692     20.02479     15.75603         1.076708     -1.167915      1.903864
      8.95291     17.74400     16.14481        -0.183447      0.008912     -0.124649
      7.26327     18.84298     19.96258        -0.135581     -0.099997      0.344284
      9.39418      3.02912     14.33358         0.192903     -0.166507      0.253109
      8.46762      1.95266     19.01643         0.583355      0.605150      0.008773
      8.78324      4.24269     18.42741         0.136183      0.315080      0.484780
      6.81144     13.05016      8.73114         0.037097     -0.079271     -0.234346
      7.54858     11.32675      4.06593         0.003975      0.193092      0.248079
      7.82003     13.76320      4.55139        -0.082205     -0.183995      0.016211
      6.81025     15.12646      9.01020         0.055068      0.145540     -0.188318
      8.06070     15.52307      4.85525        -0.002271      0.224463      0.127408
      8.21638     17.99108      5.13644        -0.185269     -0.292018      0.176167
      6.30379      0.33316     12.96973        -0.932784     -0.350601     -0.782776
      6.43049     19.64115     11.67681         1.085250      0.299235      0.045386
      8.08828      0.77713      8.52423        -0.031673      0.112526      0.007541
      6.67251      3.74192     15.98371        -0.172930     -0.020838     -0.345999
      7.96734      4.37949     11.32984         0.305681      0.521887      1.620459
      8.01610      6.29752     12.77018        -0.521309     -0.908597      0.121746
      3.59970     14.48032      9.12420         0.020748     -0.237681      0.215566
      4.57433     11.27635     12.87558        -0.041480      0.232657     -0.140631
      4.66807     13.74652     13.28763        -0.006335     -0.193197     -0.190516
      3.98674     16.41582      9.41045         0.064653      0.069933      0.291426
      4.59626     15.62061     13.65426         0.119205      0.178708     -0.107674
      4.87582     18.07077     14.04347         0.613840     -0.241104     -0.691506
      5.50165      2.42572      7.36488        -0.396642     -0.757551     -0.137119
      4.95333      0.20123      7.97586         0.071715     -0.079381     -0.096723
      4.56250      1.55899     12.04576        -0.291117      0.025817     -0.129066
      6.66943      6.59739      6.02772         0.361804      0.228666     -0.009578
      5.42488      5.78797     10.62994        -0.155826      0.856095     -0.221014
      5.81233      8.01918      9.98829         0.024274      0.746795      0.607214
      2.10329     16.47718      3.20814        -0.064421     -0.030349     -0.171657
      0.56513     14.94033     19.95868        -0.636433      0.250708      0.228852
      0.54557     17.33830     20.46818        -0.138011      0.099433     -0.096462
      1.81465     18.73654      3.57610        -0.080130      0.146905     -0.337869
      0.24883     19.00480     20.75782        -0.033292      0.066636     -0.051990
      0.02512      0.21055     20.99246         0.210035     -0.463443      0.302407
      2.69724      3.97324      7.04730        -0.947180     -1.246650     -0.357304
      2.35995      1.98670      5.90776        -0.029713      0.369953      0.006470
      0.80102      4.32519      2.64852        -0.188404      0.125390      0.233155
      3.79357      7.52493      9.45369        -0.514163     -0.025681     -0.283694
      1.88389      8.11652      5.02608         0.132335      0.736299      0.629729
      2.50516     10.07547      6.23409        -0.090938      0.454144     -0.161570
      3.20067     17.06171     21.12766         0.596995     -0.188133     -0.043955
      6.07353     13.76310      2.35059        -0.246880      0.343989     -0.006369
      6.08930     16.17188      3.01624        -0.071186     -0.139683     -0.174709
      3.36979     19.23127      0.46061         0.316798      0.054548      0.171796
      6.19996     17.94997      3.53497        -0.114367      0.214834     -0.060735
      6.42381     20.31863      4.30559        -0.177795     -0.245169     -0.261387
      1.99626      5.67576      0.36829        -0.684774     -2.058194      1.050979
      2.38365      3.35490      0.42276         0.177719      0.269748      0.105117
      4.80463      3.96640      3.93844        -0.000332      0.035353      0.024471
      1.64864     10.28237     21.09820        -0.532948     -0.135540      0.214000
      4.08470      8.53848      3.64674         0.469088      0.823752      0.276121
      3.72664     10.89594      3.57048         0.140799      0.579184      0.610165
     20.52973     19.58915     14.64845        -0.705644     -0.205785      0.098597
     16.58757     17.81036     12.09986         0.163992      0.191818      0.050624
     16.89439     20.28310     12.37776        -0.024430     -0.222679      0.001414
     20.70340      0.27900     14.94782        -0.324819      0.125290      0.099979
     16.95501      0.82163     12.79598         0.026068      0.136108      0.143405
     16.98249      3.24922     13.36622         0.178987     -0.206626      0.031782
      2.71156      6.67263     17.50140        -3.217120      0.332555     -2.612414
      1.56250      4.67112     16.88118        -0.539027      0.677533      0.898351
     19.39373      7.09612     15.91316        -0.319426      0.114767      0.168616
      4.36843     10.07252     20.24887         0.938676     -0.406274      0.500249
      0.15148     10.59098     17.95937        -0.552659      0.988459      0.844924
      1.26599     12.61498     18.62965         0.670286     -1.439223      0.768081
      0.68672     21.17862     13.45501         0.429146     -0.270495     -0.121954
      3.80229     17.73814     15.34620        -0.480645      0.428337      0.386833
      4.27836     20.18415     15.71785        -0.240277     -0.129017     -0.018867
      0.91393      1.77883     13.85615         0.610390      0.142935      0.030651
      4.52414      0.85620     16.08324        -0.906340      0.092548      0.608509
      4.80132      3.27042     16.66315        -0.319936     -0.242974      0.002031
     19.98946      9.00620     13.82564         0.110246     -0.620742     -0.127820
     20.74587      6.77953     13.86344        -0.010827      0.085400     -0.201126
      2.84854      8.10241     16.20458         0.202219      0.216799     -0.842846
     18.38423     13.11692     13.35388         0.127955     -0.107978      0.192990
      1.39125     12.38792     15.59437        -0.335126      1.138523     -1.277675
      0.65317     14.62617     15.30990         0.056167     -0.078320      0.147461
     17.88174      2.69417      7.06034        -0.531973     -0.154648      0.058051
     14.53368      0.85093      3.81260         0.287218      0.273969      0.082677
     14.59521      3.30699      4.27481         0.054577     -0.105700     -0.007989
     17.91769      4.68500      7.39440        -0.325258      0.199675     -0.052439
     14.66130      5.15084      4.54074         0.078323      0.185424      0.068880
     14.64652      7.62351      4.97010         0.161596     -0.267490      0.065265
     20.37612     10.93049     10.80253         0.105401     -0.727403     -0.681724
     19.55076      9.04499      9.69571        -0.666210      0.415305      0.459521
     16.77851     11.59998      7.64465        -0.002458      0.202606      0.008889
      1.07130     14.35003     12.88784        -0.262242     -0.103350     -0.623489
     18.43479     15.11888     10.05480         0.601101      0.412105      1.491250
     19.44149     17.02521     11.12327         0.162965     -0.440830     -0.077557
     19.35128      4.41411      5.29380         0.159368     -0.179656      0.195815
     21.16142      0.64505      8.06398         0.053412      0.197874     -0.036243
      0.21994      3.00746      8.83345        -0.039872     -0.027856      0.094732
     19.70546      6.16955      5.77620         0.288345      0.105943      0.267632
      0.36214      4.88597      9.46126        -0.364395      0.291744      0.118777
      0.74458      7.27758     10.10569        -0.250046     -0.062112     -0.345680
     18.49560     13.48803      4.86851        -0.115774     -0.854032      0.040050
     19.03316     11.20827      5.17440        -0.081466      0.128364      0.060264
      0.08371     12.35141      8.63241         0.226108     -0.060046     -0.103023
     17.04316     17.66942      4.25455         0.324940     -0.064963     -0.007980
     20.14517     16.68904      7.86735        -0.315905      0.795670     -0.073068
     19.38436     18.91374      7.64702        -0.107863     -0.157170      0.251790
     14.05203     19.28090     10.58684        -0.113516      0.147516      0.283068
     18.65832     20.87965      3.68741         0.170629      0.376031      0.184757
     12.34771      1.17996      2.72284         1.012632     -0.366184      0.070546
     13.26497     11.71911      4.54248         1.098550     -0.929583     -0.808643
      9.97644      2.57833      2.79068        -0.942728      0.446944      0.441508
     10.91186     12.66705      5.33889        -1.040235      0.450040     -0.521242
      9.42545      5.21257     15.89193         1.334247     -0.135609     -0.349723
     10.32336     15.70801     17.91557         0.949922     -0.167801     -0.313318
      7.27276      6.34856     15.49440        -1.068626     -0.088298     -0.335343
      7.81300     16.63305     18.36743        -0.862121      0.191060     -0.155185
      6.52301      8.91178      7.47743         0.109490      0.312680     -0.484169
      7.33364     19.44195      9.11168         0.363329      0.059858     -0.464207
      3.47298     10.14475      8.84840         0.232347     -0.150391      0.272152
      4.53635     20.53590     10.52909        -1.076567     -1.405881      0.378981
      2.29294     12.31612      1.55668        -0.159950     -0.421973      0.198922
      1.37224      1.77668      3.43420        -0.348411     -0.205712     -0.239405
      3.53761     12.69967     20.34197         0.355218     -0.197697     -1.115428
      4.03519      1.95231      2.20152         0.350705      0.274300     -0.040830
     19.64118     15.44540     14.06553        -0.278142     -0.423071      0.838701
     20.33031      4.49849     15.78509        -1.732684     -0.130082      0.600707
      0.43078     16.96833     12.67479         0.900712     -0.021390     -0.616231
      1.74656      5.84486     14.96677         1.742014     -0.329404     -2.170246
     17.51686     19.82090      5.82313        -0.318592     -0.344419      0.369253
     17.53776      8.96706      7.86968        -0.553911     -0.008120     -0.302713
     19.06481      0.30474      4.33994         1.214911      0.660571      0.318835
     20.43750     10.12961      7.21546         0.467013     -1.588549     -0.479940
     11.94357      2.41043      4.82247         0.314161     -0.476811      3.689828
     12.76851      0.96830      0.30082         2.243866     -2.551407     -2.884597
     12.64022      9.91885      6.05931         1.078389     -1.836478      5.425489
     13.73402     12.67921      2.28872         1.407268      4.165717     -2.851800
     10.33529      4.56408      1.36748        -0.980376      1.471211     -3.970795
      9.42836      1.38337      4.90575        -0.218718      0.041317     -0.238562
     11.23930     11.49861      3.20080        -1.895612      0.613867     -2.512079
     10.35555     12.89971      7.72918        -0.736194      1.655288      1.853807
      9.22019      6.47927     18.00339         0.964067     -0.644682      3.383866
      9.64514      4.98783     13.44830         2.858911     -0.796415      0.082159
      9.87460     13.82784     19.44134         0.534935     -1.090274      3.532558
     10.76250     16.71590     15.64756         0.929174      2.502843     -1.500919
      7.80972      8.32692     14.10593        -1.691652      2.137845     -4.710332
      6.90177      5.12386     17.59033        -1.178202     -2.072879      0.939118
      8.41483     15.57199     16.21790        -0.945302      0.802837     -3.803233
      7.10115     16.65671     20.71856        -0.658543      1.823077      2.234606
      6.30927     10.21184      9.55186        -0.004701     -0.259846      2.781808
      7.00440      8.61414      5.07562         0.336693     -0.609696     -0.185945
      6.62656     17.65169     10.62102         0.232713     -0.693048      2.808552
      8.12072     20.35560      6.95518         0.461798      1.859756     -0.875490
      3.05086     12.07038      7.36722        -0.563229      0.470953     -2.073739
      4.11906      9.04053     10.96450         0.174724     -2.522840      1.404180
      4.24172     19.23337      8.47631        -0.137240      0.232211     -1.860429
      4.81092     20.72302     13.05469        -2.168262     -3.975335     -5.628246
      2.99787     13.43973      3.68704         1.610611     -0.646637      3.558930
      1.12681     12.24287     20.71427        -3.918552     -1.241419      0.156819
      2.15458      0.07498      5.05372         1.056355     -0.380703      2.504474
      0.48900      2.61119      1.31537        -0.897244      1.541167     -0.819916
      2.29850     14.61549     19.34869        -1.861869      1.177445     -5.693535
      5.01749     11.59006      0.60231         1.532334     -2.699394      1.085955
      2.71373      0.97192      0.35696        -0.989548      0.955438     -2.501133
      5.70836      1.88990      4.00875         0.621259      0.579109      0.352957
      0.15454     16.75975     15.09071         0.415643     -0.280457      2.637759
     17.55943     15.02671     12.76533        -2.840326     -2.611136     -0.711815
      0.62771      2.71699     16.21448         3.066314     -1.561114      4.029511
     18.31516      5.49542     14.67816        -0.407787      1.279124     -0.066911
     20.59392     18.99675     11.96750        -1.848507      1.663797     -3.246375
      2.15818     15.65181     14.00613         2.210356     -4.009412      0.600023
      0.07707      4.66477     13.67995        -2.925953      0.165934     -3.919167
      3.85419      5.98894     16.37694        -1.604474     -2.063782     -2.526678
     18.75932     21.14378      7.51282         0.906088     -0.714281      4.522160
     15.80656     19.47829      4.11817        -1.092161     -1.796906     -1.728904
     18.80281      7.12574      8.86733        -0.064849     -0.476813      2.404612
     15.78353      9.95984      6.45705        -0.781586      1.672354     -0.469331
     18.26294      2.40619      3.40009        -0.546373      0.137095     -1.090709
     20.18005     20.04593      5.90752         2.622630     -3.965347     -0.387308
     19.41577      9.05864      5.27226        -1.328277      0.510001     -2.309741
      0.43015     10.10344      9.45503        -2.466717     -3.803714     -6.984891
     13.42859     17.62469      5.34986        -0.365021      1.738463      0.941787
     15.40754     17.05251      5.59738         1.621287     -1.175921     -0.243462
     14.34219     16.61919      3.82681         1.161135     -1.126046     -2.921164
     11.93497     15.05645     11.06975        -0.361869      0.354268      2.251565
     11.52658     14.53415      9.08427        -0.445041      0.237406      1.051496
     13.54368     13.93226     10.09835        -0.993959      0.539574      0.817695
     12.08402     18.28455      7.12810        -0.872547      0.032100     -0.017731
     10.11282     18.45365      6.18865        -0.645046     -0.381918      0.748160
     10.56590     17.02895      7.76040        -1.519984     -1.561348      1.659785
     12.86510     18.05456      0.23157         0.366064      1.106321     -1.760394
     13.70910     16.74912      1.67379         1.898142     -0.543239     -0.597420
     11.59853     16.44376      1.09295         1.392102      1.780971     -1.017556
      9.85678      0.40592     18.76277        -0.123739      0.841957      0.401359
     11.87961      0.03691     18.70188         2.772459     -0.134055      0.691793
     10.72799     20.74796     17.09277         1.947701     -0.521890     -2.322241
      9.45235     18.99865      3.43401        -2.002645      1.259781      2.455272
      8.49473     18.40020      1.56017        -1.814949      1.045457      1.074816
     10.55260     18.20184      1.94002        -0.881841     -1.170275      0.176210
      8.39720      0.80133     20.53275        -1.019412      0.328877     -0.667126
      6.77785      1.31353     19.13283        -1.530559     -0.475321      0.367273
      6.60529     21.03453     20.62751        -2.254019     -1.548968      1.437864
      9.00681      0.90057     13.36413         0.508932     -0.514144      0.974017
     10.28780     21.05989     14.58514         1.654975     -0.767847      0.020454
      8.12024     20.34269     14.92829         0.530275      1.222922     -4.050413
      7.30152      4.09065      9.89740         0.960049      0.526628      0.018574
      9.27047      3.63024     10.51191         1.769649     -0.860171     -0.462276
      8.55157      3.06708      8.58967         1.253678     -0.828455     -2.515503
      6.34702      1.44283     15.97768        -0.465664      1.394606      1.385288
      5.12782      1.34120     14.16695        -1.461379      1.443451     -0.692398
      6.99334      0.48737     14.20552        -0.839266      2.565118      3.296938
      6.00279      4.95520     11.80377        -1.797469     -0.354841      0.820532
      3.91423      5.11617     11.56108        -1.713899      0.486984      0.183150
      4.61964      3.71845     12.87551        -0.418452     -2.054354      2.360825
      6.64733      4.34063      5.22276         1.677385      1.057411     -2.214874
      7.05302      2.98620      6.78506         0.951125     -0.416631     -0.463944
      5.00466      3.23948      5.98909         0.789443      1.174509      0.014099
      0.30234      7.54548      4.57257        -3.055305     -0.627207      0.571966
      1.94301      7.53577      3.40993         1.745155      1.817019      0.074288
      0.32727      6.63348      2.63149        -2.546158     -1.488667     -1.732540
      3.74613      5.27329      9.47080        -2.114268      1.371480      0.205690
      2.13866      4.44023      8.58383        -1.147754     -0.250156     -0.317550
      4.03310      4.46860      7.56600         0.511970     -0.666357     -1.260989
      5.50654      7.47706      3.59534         2.016943     -0.935610     -0.854416
      3.79392      7.38608      4.78100        -1.490249      2.114569      0.241957
      5.05745      5.97246      5.10927         2.128086     -3.193252      1.067332
      1.26128      8.14618     20.04347        -0.492713      0.276631     -0.671924
      2.93586      6.77567     -0.24839        -0.713137      1.933162     -3.880633
      0.72666      6.81525      0.16618        -0.863053     -0.822746      1.168945
     19.85301      9.70977     18.43055        -0.347966     -0.406097      1.790894
     20.70515     10.49928     16.62988        -1.642971     -0.131424      0.819462
     18.99001      9.28217     16.58814        -1.361684     -1.080465     -0.360692
      4.59444      7.71991     19.94302         1.107556     -0.008736      0.679929
      2.78471      6.60932     18.86871         3.515477      0.501713      4.804105
      4.38283      7.67187     17.82965         1.558060      0.345656     -1.274782
      2.91073     11.57863     15.27678         2.108028     -0.044462     -1.981829
      1.61915     11.65552     16.87499         1.643776     -1.145494      0.477804
      3.36824     10.26613     16.88247         1.591281     -0.127709     -0.266567
     17.66758     10.93019     13.11434        -1.909620      1.749450     -1.467520
     19.27080      9.53895     12.50376        -1.197359      1.904258     -0.388242
     18.47966      9.59845     14.47566        -1.378316     -0.138260      1.241130
     16.86637     14.49420      9.88680        -1.384368     -0.665162     -0.406354
     18.33886     14.81948      8.34579         0.163906      1.356796     -0.134701
     16.56234     13.92326      7.80510        -2.049215     -0.694178     -1.331941
      1.19041     12.06944     12.82241         2.638631      1.272279      1.640720
     20.58956     11.32406     12.28512         0.548543     -1.025379     -0.043584
      0.83029     11.69845     10.84961         1.823748      0.243257     -2.225799
      0.47751     16.03211      7.64779         2.003929     -0.643114     -0.851596
     20.31750     15.74427      9.16494         0.753455      0.110356     -0.198769
      0.81441     14.56604      9.18973         1.517872     -1.140609      0.712698
     17.12747     15.63234      3.12271        -0.879366      0.761208     -1.129036
     18.91397     14.49449      3.53551        -0.948264      0.764467     -0.605657
     16.91942     14.15264      4.69802        -0.074569      0.870935     -0.996018
 -----------------------------------------------------------------------------------
    total drift:                                0.007178     -0.027647      0.006102


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4453.5481445430 eV

  energy  without entropy=    -4453.6761027403  energy(sigma->0) =    -4453.59079728
 
 d Force = 0.7527057E+02[ 0.636E+00, 0.150E+03]  d Energy = 0.7176018E+02 0.351E+01
 d Force = 0.2506139E+03[-0.235E+03, 0.736E+03]  d Ewald  = 0.2556557E+03-0.504E+01


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3160
 total energy-change (2. order) : 0.1386475E+03  (-0.2617880E+04)
 number of electron    2498.0000119 magnetization 
 augmentation part      163.7193427 magnetization 

  free energy =  -0.431490061587E+04  energy without entropy=  -0.431485244441E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3600
 total energy-change (2. order) :-0.1361180E+03  (-0.1524087E+03)
 number of electron    2498.0000119 magnetization 
 augmentation part      163.5434024 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.6862
  0.6862

  free energy =  -0.445101864482E+04  energy without entropy=  -0.445112439276E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3808
 total energy-change (2. order) : 0.7641707E+01  (-0.3875859E+01)
 number of electron    2498.0000117 magnetization 
 augmentation part      163.2605573 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9907
  0.9907  0.9907

  free energy =  -0.444337693796E+04  energy without entropy=  -0.444346180412E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3704
 total energy-change (2. order) : 0.2060126E+01  (-0.1475730E+01)
 number of electron    2498.0000114 magnetization 
 augmentation part      162.1135610 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0487
  1.2582  1.2582  0.6299

  free energy =  -0.444131681209E+04  energy without entropy=  -0.444140151969E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(   5)  ---------------------------------------



 eigenvalue-minimisations  :  4016
 total energy-change (2. order) : 0.7276251E+00  (-0.3909076E+00)
 number of electron    2498.0000114 magnetization 
 augmentation part      162.1688652 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0832
  1.7191  1.2233  0.7616  0.6286

  free energy =  -0.444058918694E+04  energy without entropy=  -0.444065051398E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3960
 total energy-change (2. order) : 0.1371533E+00  (-0.1517107E+00)
 number of electron    2498.0000114 magnetization 
 augmentation part      162.1486645 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1015
  2.1669  0.9926  0.9186  0.9186  0.5107

  free energy =  -0.444045203367E+04  energy without entropy=  -0.444050607659E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3976
 total energy-change (2. order) : 0.1307204E-01  (-0.4437697E-01)
 number of electron    2498.0000114 magnetization 
 augmentation part      162.0306361 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0926
  2.3159  1.0788  1.0788  0.9436  0.6187  0.5198

  free energy =  -0.444043896164E+04  energy without entropy=  -0.444049363410E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3624
 total energy-change (2. order) :-0.5413887E-02  (-0.1034275E-01)
 number of electron    2498.0000114 magnetization 
 augmentation part      162.0655165 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1286
  2.4010  1.3116  1.3116  0.8526  0.8526  0.6617  0.5091

  free energy =  -0.444044437552E+04  energy without entropy=  -0.444050318765E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) :-0.8767777E-02  (-0.2438710E-02)
 number of electron    2498.0000114 magnetization 
 augmentation part      162.0794421 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1646
  2.5255  1.9590  1.0734  0.8982  0.8982  0.8170  0.6360  0.5098

  free energy =  -0.444045314330E+04  energy without entropy=  -0.444051815774E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3808
 total energy-change (2. order) :-0.5761939E-02  (-0.8835856E-03)
 number of electron    2498.0000114 magnetization 
 augmentation part      162.0804254 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1230
  2.5457  1.9559  1.0660  0.8779  0.8779  0.9287  0.5073  0.6735  0.6735

  free energy =  -0.444045890524E+04  energy without entropy=  -0.444054282964E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(  11)  ---------------------------------------



 eigenvalue-minimisations  :  3752
 total energy-change (2. order) : 0.4986436E-03  (-0.6297143E-03)
 number of electron    2498.0000114 magnetization 
 augmentation part      162.0817500 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0460
  2.5700  1.9654  1.0546  0.8947  0.8947  0.7434  0.7031  0.5079  0.5632  0.5632

  free energy =  -0.444045840660E+04  energy without entropy=  -0.444054233887E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(  12)  ---------------------------------------



 eigenvalue-minimisations  :  3728
 total energy-change (2. order) : 0.6666189E-03  (-0.1891260E-03)
 number of electron    2498.0000114 magnetization 
 augmentation part      162.0822205 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0773
  2.5523  2.0170  0.8202  0.8202  0.9060  0.9060  1.0215  0.9272  0.6858  0.6858
  0.5083

  free energy =  -0.444045773998E+04  energy without entropy=  -0.444053971821E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(  13)  ---------------------------------------



 eigenvalue-minimisations  :  5240
 total energy-change (2. order) : 0.1495140E-02  (-0.1057027E-03)
 number of electron    2498.0000114 magnetization 
 augmentation part      162.0803928 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1325
  2.5607  2.0043  1.3567  1.3567  1.0738  0.8692  0.8692  0.9371  0.5085  0.6637
  0.6951  0.6951

  free energy =  -0.444045624484E+04  energy without entropy=  -0.444053849098E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(  14)  ---------------------------------------



 eigenvalue-minimisations  :  4904
 total energy-change (2. order) : 0.2141807E-02  (-0.2502920E-03)
 number of electron    2498.0000114 magnetization 
 augmentation part      162.0813505 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1749
  2.5577  1.7931  1.7931  1.9924  0.7977  0.7977  0.9926  0.9926  0.8545  0.8545
  0.5081  0.6698  0.6698

  free energy =  -0.444045410303E+04  energy without entropy=  -0.444053613650E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(  15)  ---------------------------------------



 eigenvalue-minimisations  :  4568
 total energy-change (2. order) :-0.2584003E-02  (-0.2520948E-02)
 number of electron    2498.0000114 magnetization 
 augmentation part      162.0806318 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1163
  2.5377  1.4653  1.4653  1.9245  0.8246  0.8246  1.0846  1.0846  0.8915  0.8915
  0.5088  0.6399  0.7428  0.7428

  free energy =  -0.444045668703E+04  energy without entropy=  -0.444054176040E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(  16)  ---------------------------------------



 eigenvalue-minimisations  :  3568
 total energy-change (2. order) :-0.4601825E-03  (-0.1059576E-02)
 number of electron    2498.0000114 magnetization 
 augmentation part      162.0845233 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0745
  2.5358  1.2169  1.2169  1.7449  1.4149  0.9306  0.9306  1.0611  0.9363  0.9363
  0.7513  0.7513  0.6324  0.5076  0.5503

  free energy =  -0.444045714722E+04  energy without entropy=  -0.444053866382E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(  17)  ---------------------------------------



 eigenvalue-minimisations  :  3952
 total energy-change (2. order) : 0.6900251E-03  (-0.1095960E-02)
 number of electron    2498.0000114 magnetization 
 augmentation part      162.0829446 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1082
  2.6072  2.0098  1.4477  1.4477  0.9529  0.9529  1.1344  1.0503  1.0503  0.9919
  0.7644  0.7644  0.5086  0.7012  0.7012  0.6470

  free energy =  -0.444045645719E+04  energy without entropy=  -0.444053062351E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(  18)  ---------------------------------------



 eigenvalue-minimisations  :  3616
 total energy-change (2. order) :-0.7852464E-03  (-0.4253817E-03)
 number of electron    2498.0000114 magnetization 
 augmentation part      162.0833258 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1243
  2.6080  2.1515  1.5340  1.5340  1.0106  1.0106  1.1814  1.1814  0.9981  0.9981
  0.7765  0.7765  0.7850  0.7850  0.5084  0.6372  0.6372

  free energy =  -0.444045724244E+04  energy without entropy=  -0.444053545697E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(  19)  ---------------------------------------



 eigenvalue-minimisations  :  3456
 total energy-change (2. order) :-0.1519928E-02  (-0.2589023E-03)
 number of electron    2498.0000114 magnetization 
 augmentation part      162.0823642 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1348
  2.7625  2.3977  1.3519  1.3519  1.0109  1.0109  1.4400  1.4400  0.9783  0.9783
  0.9432  0.7673  0.7673  0.5085  0.7068  0.7068  0.6519  0.6519

  free energy =  -0.444045876237E+04  energy without entropy=  -0.444053636086E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(  20)  ---------------------------------------



 eigenvalue-minimisations  :  3608
 total energy-change (2. order) :-0.7208563E-03  (-0.5495496E-04)
 number of electron    2498.0000114 magnetization 
 augmentation part      162.0818072 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1352
  2.7203  2.2835  1.4215  1.4215  1.5008  1.5008  0.9541  0.9541  1.0085  1.0085
  1.0172  0.7462  0.7462  0.8783  0.8783  0.5085  0.6834  0.6688  0.6688

  free energy =  -0.444045948322E+04  energy without entropy=  -0.444053368660E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(  21)  ---------------------------------------



 eigenvalue-minimisations  :  3656
 total energy-change (2. order) :-0.4070068E-03  (-0.5571559E-04)
 number of electron    2498.0000114 magnetization 
 augmentation part      162.0811500 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1469
  2.7930  2.3309  1.4203  1.4203  1.6837  1.6837  0.9697  0.9697  0.9479  0.9479
  1.0746  0.7805  0.7805  0.9343  0.9343  0.5085  0.7385  0.7385  0.6404  0.6404

  free energy =  -0.444045989023E+04  energy without entropy=  -0.444053315611E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(  22)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) :-0.4214550E-03  (-0.1738019E-04)
 number of electron    2498.0000114 magnetization 
 augmentation part      162.0814937 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1823
  2.6766  2.6766  2.1694  1.3967  1.3967  0.9780  0.9780  1.4466  1.4466  1.1219
  1.1219  1.0798  0.8142  0.8142  0.7429  0.7429  0.5085  0.6391  0.6905  0.6931
  0.6931

  free energy =  -0.444046031168E+04  energy without entropy=  -0.444053273452E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(  23)  ---------------------------------------



 eigenvalue-minimisations  :  3600
 total energy-change (2. order) :-0.3493582E-03  (-0.2398859E-04)
 number of electron    2498.0000114 magnetization 
 augmentation part      162.0819177 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2133
  3.3120  2.7246  2.1114  1.3883  1.3883  1.7576  1.7576  0.9686  0.9686  0.9520
  0.9520  1.0969  0.9522  0.9522  0.7319  0.7319  0.5085  0.7443  0.7443  0.6597
  0.6597  0.6290

  free energy =  -0.444046066104E+04  energy without entropy=  -0.444053271547E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(  24)  ---------------------------------------



 eigenvalue-minimisations  :  3608
 total energy-change (2. order) :-0.1074139E-03  (-0.8729423E-05)
 number of electron    2498.0000114 magnetization 
 augmentation part      162.0816676 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2258
  3.9344  2.5881  1.4009  1.4009  1.9594  1.8017  1.8017  0.9681  0.9681  1.1118
  1.1118  1.1505  0.8400  0.8400  0.8621  0.8621  0.7094  0.7094  0.5085  0.6948
  0.6948  0.6377  0.6377

  free energy =  -0.444046076846E+04  energy without entropy=  -0.444053391544E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(  25)  ---------------------------------------



 eigenvalue-minimisations  :  3424
 total energy-change (2. order) :-0.1013053E-03  (-0.5210699E-05)
 number of electron    2498.0000114 magnetization 
 augmentation part      162.0814061 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2416
  4.4948  2.5892  1.9836  1.9836  1.3984  1.3984  0.9678  0.9678  1.4140  1.4140
  0.9477  0.9477  1.0336  1.0336  0.9070  0.9070  0.7277  0.7277  0.5085  0.7287
  0.7287  0.6807  0.6807  0.6279

  free energy =  -0.444046086976E+04  energy without entropy=  -0.444053417770E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(  26)  ---------------------------------------



 eigenvalue-minimisations  :  2368
 total energy-change (2. order) :-0.7645399E-04  (-0.8528538E-06)
 number of electron    2498.0000114 magnetization 
 augmentation part      162.0815077 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2564
  4.7301  2.6805  1.4028  1.4028  1.8712  1.8034  1.8034  0.9684  0.9684  1.4433
  1.2036  1.2036  0.9967  0.9967  0.8868  0.8868  0.7266  0.7266  0.7682  0.7682
  0.5085  0.6942  0.6942  0.6374  0.6374

  free energy =  -0.444046094621E+04  energy without entropy=  -0.444053410995E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(  27)  ---------------------------------------



 eigenvalue-minimisations  :  2352
 total energy-change (2. order) :-0.4934458E-04  (-0.6558586E-06)
 number of electron    2498.0000114 magnetization 
 augmentation part      162.0816541 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2765
  4.9616  2.7290  2.2424  2.0889  2.0889  1.3994  1.3994  0.9682  0.9682  1.2463
  1.2463  1.0517  0.8916  0.8916  0.9625  0.9625  0.8741  0.8741  0.7202  0.7202
  0.5085  0.6907  0.6907  0.7022  0.6650  0.6444

  free energy =  -0.444046099556E+04  energy without entropy=  -0.444053417542E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(  28)  ---------------------------------------



 eigenvalue-minimisations  :  2320
 total energy-change (2. order) :-0.4552054E-04  (-0.3614767E-06)
 number of electron    2498.0000114 magnetization 
 augmentation part      162.0816799 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3087
  5.5380  2.6028  2.2416  2.2416  2.2848  1.4004  1.4004  0.9682  0.9682  1.1005
  1.1005  1.2206  1.2206  1.1667  1.1667  0.8526  0.8526  0.7228  0.7228  0.8336
  0.8336  0.5085  0.7016  0.7016  0.6849  0.6364  0.6627

  free energy =  -0.444046104108E+04  energy without entropy=  -0.444053421187E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(  29)  ---------------------------------------



 eigenvalue-minimisations  :  2344
 total energy-change (2. order) :-0.3663308E-04  (-0.4226976E-06)
 number of electron    2498.0000114 magnetization 
 augmentation part      162.0815951 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2971
  5.5418  2.4587  2.2842  2.2842  1.9242  1.9242  1.4009  1.4009  0.9682  0.9682
  1.1959  1.1959  1.0902  1.0902  1.1135  0.8447  0.8447  0.7171  0.7171  0.8369
  0.8369  0.5085  0.7524  0.7524  0.6945  0.6945  0.6388  0.6388

  free energy =  -0.444046107771E+04  energy without entropy=  -0.444053420424E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   10(  30)  ---------------------------------------



 eigenvalue-minimisations  :  2240
 total energy-change (2. order) :-0.8255156E-05  (-0.1904779E-06)
 number of electron    2498.0000114 magnetization 
 augmentation part      162.0815951 magnetization 

  free energy =  -0.444046108597E+04  energy without entropy=  -0.444053420622E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.3029       2 -56.5601       3 -56.3566       4 -56.1144       5 -56.0886
       6 -56.5578       7 -58.0497       8 -58.2827       9 -56.6232      10 -56.3528
      11 -56.5258      12 -56.1061      13 -56.1316      14 -56.3565      15 -58.1961
      16 -58.0591      17 -56.6615      18 -55.1704      19 -54.8309      20 -55.4873
      21 -55.8392      22 -55.7635      23 -55.5984      24 -55.6281      25 -55.1264
      26 -54.6306      27 -54.9288      28 -55.0255      29 -60.4057      30 -60.3743
      31 -55.9916      32 -56.2383      33 -56.0251      34 -55.5312      35 -55.7776
      36 -56.2413      37 -58.0450      38 -58.1662      39 -56.2102      40 -55.8584
      41 -56.1605      42 -55.8317      43 -55.9349      44 -56.0673      45 -58.1818
      46 -58.3182      47 -56.7143      48 -55.2191      49 -54.8435      50 -55.4795
      51 -55.9683      52 -55.7598      53 -55.7089      54 -55.9604      55 -55.3297
      56 -54.6744      57 -55.0575      58 -56.6249      59 -60.2780      60 -60.6652
      61 -56.1619      62 -56.5010      63 -56.4666      64 -56.1189      65 -56.2881
      66 -56.5384      67 -58.3590      68 -58.4627      69 -56.5907      70 -56.3300
      71 -56.5562      72 -56.0781      73 -56.0278      74 -56.3782      75 -58.3768
      76 -58.1963      77 -56.7304      78 -55.1305      79 -54.6898      80 -55.5821
      81 -55.9269      82 -55.8536      83 -55.8295      84 -55.9975      85 -55.4236
      86 -54.9225      87 -55.2250      88 -56.7354      89 -60.8351      90 -60.6148
      91 -56.1142      92 -56.3030      93 -56.0415      94 -55.7610      95 -55.7668
      96 -56.3031      97 -58.0719      98 -58.2062      99 -56.3390     100 -56.1348
     101 -56.3040     102 -55.8159     103 -55.8812     104 -56.1536     105 -58.2072
     106 -58.3928     107 -56.7297     108 -55.1597     109 -55.0646     110 -55.4388
     111 -55.9324     112 -55.7389     113 -55.7892     114 -55.9212     115 -55.5209
     116 -54.9869     117 -55.1765     118 -56.6600     119 -60.8201     120 -60.5611
     121 -56.1771     122 -56.2610     123 -56.0702     124 -55.9976     125 -56.0045
     126 -56.3673     127 -58.0948     128 -58.1243     129 -56.3669     130 -56.0681
     131 -56.2695     132 -55.9593     133 -55.9267     134 -56.1670     135 -58.0185
     136 -58.1277     137 -56.7957     138 -55.2337     139 -54.8232     140 -55.5478
     141 -56.0296     142 -56.0356     143 -56.0089     144 -56.0197     145 -55.5414
     146 -55.1908     147 -55.6217     148 -56.7430     149 -60.1805     150 -60.7641
     151 -55.7816     152 -55.9066     153 -55.6757     154 -55.5624     155 -55.5385
     156 -55.9670     157 -57.7341     158 -57.8237     159 -55.7760     160 -55.5157
     161 -55.7233     162 -55.4240     163 -55.3884     164 -55.6062     165 -58.1550
     166 -58.0233     167 -56.8077     168 -55.3337     169 -54.9288     170 -55.7208
     171 -56.0231     172 -55.9521     173 -55.8048     174 -55.7641     175 -55.2062
     176 -54.6036     177 -55.0322     178 -56.5106     179 -60.3865     180 -60.6718
     181 -56.3162     182 -56.4411     183 -56.2139     184 -55.8682     185 -55.9897
     186 -56.5034     187 -58.1152     188 -58.2539     189 -56.4542     190 -56.1177
     191 -56.2764     192 -56.0371     193 -55.9199     194 -56.1749     195 -58.0011
     196 -58.2096     197 -56.6715     198 -55.0974     199 -54.8199     200 -55.3870
     201 -55.9599     202 -55.8802     203 -55.6882     204 -55.8765     205 -55.2847
     206 -54.8457     207 -55.1397     208 -56.5898     209 -60.7592     210 -60.4475
     211 -56.5938     212 -56.7280     213 -56.4461     214 -56.2877     215 -56.2245
     216 -56.6873     217 -58.3756     218 -58.4308     219 -56.5735     220 -56.2710
     221 -56.4260     222 -56.0938     223 -55.9550     224 -56.2760     225 -58.0204
     226 -58.2850     227 -56.6771     228 -55.0955     229 -54.9831     230 -55.3656
     231 -55.8907     232 -56.0422     233 -55.7641     234 -55.6297     235 -55.2928
     236 -54.8634     237 -55.2912     238 -56.6862     239 -60.1536     240 -60.3903
     241 -56.0771     242 -56.0813     243 -55.9246     244 -55.8733     245 -55.8160
     246 -56.2451     247 -58.0016     248 -58.0638     249 -56.2925     250 -56.0028
     251 -56.1539     252 -55.8520     253 -55.8583     254 -56.0257     255 -57.9837
     256 -57.8771     257 -56.6168     258 -55.2300     259 -55.0689     260 -55.4509
     261 -55.8468     262 -55.9617     263 -56.1299     264 -56.0805     265 -55.7067
     266 -54.9483     267 -55.6240     268 -56.8146     269 -60.4960     270 -60.3273
     271 -56.1936     272 -56.3494     273 -55.9789     274 -56.0887     275 -55.9168
     276 -56.3307     277 -58.3174     278 -57.9203     279 -55.8333     280 -55.6682
     281 -55.8056     282 -55.4951     283 -55.4207     284 -55.7231     285 -58.3610
     286 -57.8137     287 -56.6727     288 -55.1999     289 -54.5472     290 -55.7461
     291 -55.7212     292 -55.6080     293 -55.5340     294 -55.8557     295 -55.0645
     296 -54.4710     297 -54.7705     298 -56.3569     299 -60.1222     300 -60.5822
     301 -56.1576     302 -56.2858     303 -56.1260     304 -55.8773     305 -55.8917
     306 -56.3153     307 -57.9749     308 -58.1590     309 -56.3743     310 -56.0783
     311 -56.2708     312 -55.9608     313 -55.9486     314 -56.1856     315 -57.9968
     316 -58.1053     317 -56.5856     318 -55.0148     319 -54.6325     320 -55.2879
     321 -55.7320     322 -55.7349     323 -55.7601     324 -55.9220     325 -55.2561
     326 -54.9586     327 -55.2031     328 -56.6971     329 -60.4525     330 -60.3185
     331 -55.9166     332 -56.0171     333 -55.7776     334 -55.7328     335 -55.6625
     336 -56.1048     337 -57.8725     338 -58.0237     339 -55.8210     340 -55.5199
     341 -55.6991     342 -55.4526     343 -55.4456     344 -55.7022     345 -57.8249
     346 -58.0050     347 -56.5724     348 -55.0072     349 -54.7191     350 -55.4300
     351 -55.7503     352 -55.6768     353 -55.5198     354 -55.5297     355 -55.0698
     356 -54.4709     357 -54.8408     358 -56.4187     359 -60.2569     360 -60.4337
     361 -39.2331     362 -38.6023     363 -39.2943     364 -39.2432     365 -39.4222
     366 -38.6070     367 -38.3398     368 -38.0591     369 -38.0734     370 -38.1616
     371 -38.4560     372 -38.2848     373 -38.9059     374 -38.1129     375 -38.9997
     376 -38.7726     377 -39.1003     378 -38.7000     379 -38.2008     380 -37.9696
     381 -37.9991     382 -37.8682     383 -38.4375     384 -37.7962     385 -39.0704
     386 -38.7123     387 -39.2704     388 -39.2223     389 -39.3151     390 -38.4387
     391 -38.2222     392 -37.9876     393 -38.3916     394 -38.2004     395 -38.5329
     396 -38.1065     397 -39.0514     398 -38.2840     399 -39.0356     400 -39.0495
     401 -38.9169     402 -38.6712     403 -38.2139     404 -37.8682     405 -38.0680
     406 -38.4471     407 -38.2999     408 -37.7119     409 -38.8176     410 -38.6012
     411 -39.3091     412 -38.8457     413 -39.2713     414 -38.5262     415 -38.1585
     416 -38.5810     417 -38.1968     418 -38.5469     419 -38.8044     420 -37.9862
     421 -38.4725     422 -38.0890     423 -38.7248     424 -38.3380     425 -38.4606
     426 -38.6264     427 -38.4373     428 -38.2510     429 -38.5123     430 -38.1222
     431 -38.0581     432 -37.4062     433 -39.1366     434 -38.0556     435 -39.1633
     436 -38.8670     437 -39.2969     438 -38.2838     439 -38.8416     440 -37.9268
     441 -38.0354     442 -38.1112     443 -38.4304     444 -37.7562     445 -39.3644
     446 -38.8862     447 -39.4647     448 -39.1796     449 -39.2975     450 -38.3467
     451 -38.4500     452 -38.1558     453 -38.0920     454 -38.5049     455 -37.8725
     456 -37.7617     457 -38.8161     458 -38.5037     459 -39.1303     460 -38.8824
     461 -39.0594     462 -38.4473     463 -37.9662     464 -38.3014     465 -38.0569
     466 -38.4706     467 -38.0817     468 -37.3948     469 -38.8594     470 -38.8164
     471 -39.1312     472 -38.3757     473 -38.8829     474 -38.3955     475 -38.0471
     476 -38.0066     477 -38.5887     478 -37.6272     479 -38.3425     480 -37.6551
     481 -38.8979     482 -38.5028     483 -39.1119     484 -38.9061     485 -39.2116
     486 -38.5900     487 -37.9483     488 -38.1634     489 -37.9727     490 -38.2321
     491 -38.6209     492 -38.0249     493 -38.7083     494 -38.1431     495 -38.9446
     496 -38.4862     497 -38.6852     498 -38.2586     499 -38.2812     500 -37.8517
     501 -38.0635     502 -37.7249     503 -38.1121     504 -37.4756     505 -38.5358
     506 -42.3981     507 -72.4578     508 -72.2414     509 -72.1418     510 -72.3029
     511 -72.1953     512 -72.1651     513 -72.2905     514 -72.5103     515 -72.3584
     516 -72.2856     517 -71.9078     518 -72.1511     519 -72.1752     520 -72.3651
     521 -72.5057     522 -72.1817     523 -71.9685     524 -72.0305     525 -72.1182
     526 -72.0302     527 -72.2028     528 -72.2223     529 -72.0950     530 -72.3462
     531 -76.0780     532 -75.8925     533 -75.7311     534 -75.9121     535 -75.8483
     536 -76.3406     537 -76.5675     538 -76.2145     539 -76.4986     540 -77.4154
     541 -75.8730     542 -76.2672     543 -76.0401     544 -75.9543     545 -76.3546
     546 -76.1317     547 -76.0240     548 -76.2342     549 -76.0858     550 -75.9910
     551 -75.7675     552 -75.5881     553 -75.9613     554 -76.8649     555 -75.9319
     556 -76.5056     557 -76.1390     558 -75.9999     559 -75.9794     560 -76.2237
     561 -76.1156     562 -76.0935     563 -76.4031     564 -75.7373     565 -75.8860
     566 -76.1014     567 -75.6308     568 -76.0473     569 -75.5178     570 -77.5509
     571 -76.0718     572 -75.9095     573 -76.0683     574 -75.9761     575 -75.9912
     576 -75.5200     577 -75.8981     578 -75.7393     579 -81.8362     580 -82.9467
     581 -81.6210     582 -82.1579     583 -82.5000     584 -82.4180     585 -82.5671
     586 -82.8190     587 -82.3441     588 -82.2899     589 -81.4668     590 -81.4840
     591 -82.4707     592 -82.3489     593 -82.6007     594 -82.7588     595 -83.5944
     596 -81.7593     597 -82.7605     598 -82.5793     599 -82.0321     600 -84.4169
     601 -82.9354     602 -79.9832     603 -83.2680     604 -82.8545     605 -82.3191
     606 -83.5438     607 -83.1818     608 -80.1205     609 -83.0151     610 -82.3053
     611 -82.3246     612 -81.8443     613 -82.3069     614 -82.2670     615 -82.6047
     616 -82.1627     617 -82.2148     618 -81.9767     619 -83.4448     620 -82.5622
     621 -82.6786     622 -82.1701     623 -81.7421     624 -82.4638     625 -81.8785
     626 -82.0979     627 -82.6574     628 -82.7765     629 -81.0369     630 -83.2187
     631 -80.1518     632 -82.8212     633 -82.4179     634 -82.6955     635 -82.6073
     636 -81.9638     637 -81.7871     638 -80.9318     639 -82.3644     640 -82.1820
     641 -82.1450     642 -82.6773     643 -81.7841     644 -82.1146     645 -82.2676
     646 -82.7626     647 -82.2037     648 -81.9390     649 -82.3479     650 -82.2802
 
 
 
 E-fermi :  -0.8436     XC(G=0):  -6.3367     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -31.5053      2.00000
      2     -30.4239      2.00000
      3     -30.2315      2.00000
      4     -30.0292      2.00000
      5     -29.9871      2.00000
      6     -29.9445      2.00000
      7     -29.8765      2.00000
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      9     -29.8215      2.00000
     10     -29.7813      2.00000
     11     -29.6830      2.00000
     12     -29.6368      2.00000
     13     -29.5525      2.00000
     14     -29.4909      2.00000
     15     -29.4619      2.00000
     16     -29.4403      2.00000
     17     -29.3957      2.00000
     18     -29.3326      2.00000
     19     -29.3047      2.00000
     20     -29.2092      2.00000
     21     -29.1825      2.00000
     22     -28.6264      2.00000
     23     -28.4172      2.00000
     24     -27.9698      2.00000
     25     -27.8092      2.00000
     26     -27.6312      2.00000
     27     -27.3113      2.00000
     28     -27.2700      2.00000
     29     -27.2616      2.00000
     30     -27.0844      2.00000
     31     -27.0089      2.00000
     32     -26.9800      2.00000
     33     -26.9764      2.00000
     34     -26.9404      2.00000
     35     -26.9250      2.00000
     36     -26.8905      2.00000
     37     -26.8389      2.00000
     38     -26.7841      2.00000
     39     -26.7468      2.00000
     40     -26.7157      2.00000
     41     -26.6651      2.00000
     42     -26.6488      2.00000
     43     -26.5889      2.00000
     44     -26.5646      2.00000
     45     -26.5480      2.00000
     46     -26.5142      2.00000
     47     -26.4823      2.00000
     48     -26.4821      2.00000
     49     -26.4673      2.00000
     50     -26.4156      2.00000
     51     -26.2835      2.00000
     52     -26.2696      2.00000
     53     -26.2307      2.00000
     54     -26.1950      2.00000
     55     -26.1735      2.00000
     56     -26.1512      2.00000
     57     -26.0710      2.00000
     58     -26.0293      2.00000
     59     -26.0265      2.00000
     60     -25.9874      2.00000
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     63     -25.7703      2.00000
     64     -25.6034      2.00000
     65     -25.6005      2.00000
     66     -25.5765      2.00000
     67     -25.3002      2.00000
     68     -25.1152      2.00000
     69     -24.9353      2.00000
     70     -24.7824      2.00000
     71     -24.2389      2.00000
     72     -23.9890      2.00000
     73     -23.9496      2.00000
     74     -23.1175      2.00000
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     76     -22.8913      2.00000
     77     -22.8763      2.00000
     78     -22.8285      2.00000
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     89     -22.3445      2.00000
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     91     -22.2901      2.00000
     92     -22.2241      2.00000
     93     -22.1395      2.00000
     94     -22.0317      2.00000
     95     -21.9853      2.00000
     96     -21.9624      2.00000
     97     -21.8358      2.00000
     98     -21.8306      2.00000
     99     -21.7715      2.00000
    100     -21.3336      2.00000
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    102     -21.0202      2.00000
    103     -20.8655      2.00000
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    106     -20.6728      2.00000
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    109     -20.4851      2.00000
    110     -20.4642      2.00000
    111     -20.4615      2.00000
    112     -20.4337      2.00000
    113     -20.4229      2.00000
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    120     -20.0970      2.00000
    121     -20.0240      2.00000
    122     -19.9474      2.00000
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    124     -19.7588      2.00000
    125     -19.7570      2.00000
    126     -19.6943      2.00000
    127     -19.6473      2.00000
    128     -19.6300      2.00000
    129     -19.6098      2.00000
    130     -19.6093      2.00000
    131     -19.5751      2.00000
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    135     -19.5020      2.00000
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    148     -18.9972      2.00000
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    150     -18.9578      2.00000
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    185     -17.9927      2.00000
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    200     -17.2321      2.00000
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    202     -17.1463      2.00000
    203     -16.9744      2.00000
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   1246      -1.4927      2.00004
   1247      -1.4157      2.00040
   1248      -1.3577      2.00168
   1249      -1.0401      2.04646
   1250      -0.6956      0.05391
   1251      -0.6675     -0.01572
   1252      -0.5668     -0.06468
   1253      -0.4058     -0.00829
   1254      -0.4007     -0.00753
   1255      -0.3824     -0.00527
   1256      -0.2939     -0.00071
   1257      -0.2436     -0.00019
   1258      -0.2242     -0.00011
   1259      -0.0701     -0.00000
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   1264       0.0469     -0.00000
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   1267       0.1877     -0.00000
   1268       0.2256     -0.00000
   1269       0.2478     -0.00000
   1270       0.2591     -0.00000
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   1300       1.4872     -0.00000
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   1322       2.1721     -0.00000
   1323       2.1897     -0.00000
   1324       2.2016     -0.00000
   1325       2.2119     -0.00000
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   1327       2.2668     -0.00000
   1328       2.2969     -0.00000
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   1330       2.3222     -0.00000
   1331       2.3430     -0.00000
   1332       2.3612     -0.00000
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   1352       2.9137     -0.00000
   1353       2.9517     -0.00000
   1354       2.9783     -0.00000
   1355       3.0131     -0.00000
   1356       3.0375     -0.00000
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   1363       3.2390     -0.00000
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   1367       3.4120     -0.00000
   1368       3.4288     -0.00000
   1369       3.4861     -0.00000
   1370       3.5131     -0.00000
   1371       3.5278     -0.00000
   1372       3.5384     -0.00000
   1373       3.5896     -0.00000
   1374       3.6163     -0.00000
   1375       3.6313     -0.00000
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   1377       3.6756     -0.00000
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   1398       3.9966     -0.00000
   1399       4.0129     -0.00000
   1400       4.0343     -0.00000
   1401       4.0387     -0.00000
   1402       4.0529     -0.00000
   1403       4.0703     -0.00000
   1404       4.0809     -0.00000
   1405       4.0884     -0.00000
   1406       4.1016     -0.00000
   1407       4.1354     -0.00000
   1408       4.1553     -0.00000
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   1411       4.1968     -0.00000
   1412       4.2037     -0.00000
   1413       4.2122     -0.00000
   1414       4.2311     -0.00000
   1415       4.2375     -0.00000
   1416       4.2579     -0.00000
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   1418       4.2849     -0.00000
   1419       4.3046     -0.00000
   1420       4.3119     -0.00000
   1421       4.3209     -0.00000
   1422       4.3257     -0.00000
   1423       4.3383     -0.00000
   1424       4.3592     -0.00000
   1425       4.3803     -0.00000
   1426       4.3861     -0.00000
   1427       4.4117     -0.00000
   1428       4.4207     -0.00000
   1429       4.4285     -0.00000
   1430       4.4537     -0.00000
   1431       4.4626     -0.00000
   1432       4.4780     -0.00000
   1433       4.4964      0.00000
   1434       4.4999      0.00000
   1435       4.5179      0.00000
   1436       4.5327      0.00000
   1437       4.5490      0.00000
   1438       4.5643      0.00000
   1439       4.5733      0.00000
   1440       4.5897      0.00000
   1441       4.6023      0.00000
   1442       4.6091      0.00000
   1443       4.6272      0.00000
   1444       4.6523      0.00000
   1445       4.6840      0.00000
   1446       4.6941      0.00000
   1447       4.7167      0.00000
   1448       4.7411      0.00000
   1449       4.7582      0.00000
   1450       4.7672      0.00000
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   1452       4.8119      0.00000
   1453       4.8282      0.00000
   1454       4.8496      0.00000
   1455       4.8653      0.00000
   1456       4.8693      0.00000
   1457       4.8713      0.00000
   1458       4.8949      0.00000
   1459       4.9053      0.00000
   1460       4.9111      0.00000
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   1479       5.1552      0.00000
   1480       5.1660      0.00000
   1481       5.1678      0.00000
   1482       5.2022      0.00000
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   1484       5.2244      0.00000
   1485       5.2427      0.00000
   1486       5.2500      0.00000
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   1498       5.3804      0.00000
   1499       5.3982      0.00000
   1500       5.4049      0.00000
   1501       5.4188      0.00000
   1502       5.4353      0.00000
   1503       5.4444      0.00000
   1504       5.4489      0.00000
   1505       5.4666      0.00000
   1506       5.4820      0.00000
   1507       5.4968      0.00000
   1508       5.5019      0.00000
   1509       5.5092      0.00000
   1510       5.5208      0.00000
   1511       5.5355      0.00000
   1512       5.5389      0.00000
   1513       5.5589      0.00000
   1514       5.5634      0.00000
   1515       5.5813      0.00000
   1516       5.5833      0.00000
   1517       5.6119      0.00000
   1518       5.6183      0.00000
   1519       5.6318      0.00000
   1520       5.6341      0.00000
   1521       5.6512      0.00000
   1522       5.6582      0.00000
   1523       5.6707      0.00000
   1524       5.6877      0.00000
   1525       5.6940      0.00000
   1526       5.7010      0.00000
   1527       5.7050      0.00000
   1528       5.7149      0.00000
   1529       5.7217      0.00000
   1530       5.7342      0.00000
   1531       5.7405      0.00000
   1532       5.7458      0.00000
   1533       5.7706      0.00000
   1534       5.7728      0.00000
   1535       5.7882      0.00000
   1536       5.7979      0.00000
   1537       5.8009      0.00000
   1538       5.8036      0.00000
   1539       5.8175      0.00000
   1540       5.8290      0.00000
   1541       5.8347      0.00000
   1542       5.8408      0.00000
   1543       5.8478      0.00000
   1544       5.8613      0.00000
   1545       5.8690      0.00000
   1546       5.8747      0.00000
   1547       5.8924      0.00000
   1548       5.9067      0.00000
   1549       5.9103      0.00000
   1550       5.9163      0.00000
   1551       5.9244      0.00000
   1552       5.9363      0.00000
   1553       5.9479      0.00000
   1554       5.9577      0.00000
   1555       5.9667      0.00000
   1556       5.9809      0.00000
   1557       5.9889      0.00000
   1558       5.9996      0.00000
   1559       6.0015      0.00000
   1560       6.0107      0.00000
   1561       6.0208      0.00000
   1562       6.0237      0.00000
   1563       6.0328      0.00000
   1564       6.0378      0.00000
   1565       6.0524      0.00000
   1566       6.0585      0.00000
   1567       6.0654      0.00000
   1568       6.0694      0.00000
   1569       6.0851      0.00000
   1570       6.0877      0.00000
   1571       6.1159      0.00000
   1572       6.1243      0.00000
   1573       6.1257      0.00000
   1574       6.1497      0.00000
   1575       6.1603      0.00000
   1576       6.1677      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.111  13.443  -0.002   0.002  -0.000   0.008  -0.007   0.001
 13.443  17.873  -0.003   0.003  -0.000   0.010  -0.009   0.001
 -0.002  -0.003  -4.247   0.004  -0.001   8.300  -0.007   0.001
  0.002   0.003   0.004  -4.244   0.002  -0.007   8.294  -0.002
 -0.000  -0.000  -0.001   0.002  -4.233   0.001  -0.002   8.279
  0.008   0.010   8.300  -0.007   0.001 -18.350   0.012  -0.002
 -0.007  -0.009  -0.007   8.294  -0.002   0.012 -18.339   0.003
  0.001   0.001   0.001  -0.002   8.279  -0.002   0.003 -18.320
 total augmentation occupancy for first ion, spin component:           1
  9.499  -4.419  -0.042   0.184  -0.023  -0.012   0.037  -0.005
 -4.419   2.125   0.044  -0.128   0.009   0.009  -0.023   0.003
 -0.042   0.044   1.963  -0.057   0.015   0.196  -0.014   0.003
  0.184  -0.128  -0.057   1.972  -0.093  -0.014   0.188  -0.013
 -0.023   0.009   0.015  -0.093   1.297   0.003  -0.013   0.089
 -0.012   0.009   0.196  -0.014   0.003   0.021  -0.002   0.001
  0.037  -0.023  -0.014   0.188  -0.013  -0.002   0.020  -0.002
 -0.005   0.003   0.003  -0.013   0.089   0.001  -0.002   0.007


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -59384.57167122801.35142 44557.52125-12685.39854  6243.88754 31566.16741
  Hartree -4131.62303149253.88247 83199.89011-13394.81024  3635.91429 26086.71971
  E(xc)  -10747.39008-10612.50129-10655.68107     3.56972    10.25525    27.70989
  Local   30124.24498************************ 26133.18920 -9797.51588-57113.89196
  n-local -5870.73869 -5936.82634 -6011.96005     4.65376    11.53138   -43.96359
  augment  1481.94495  1522.73562  1475.21707     2.82845    12.67190    -3.63292
  Kinetic 45858.54199 43115.31166 44076.64309   -97.27680  -203.08515  -535.25290
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      238.2671661   -412.5719706    126.7445321    -33.2444516    -86.3406730    -16.1443550
  in kB       39.7329571    -68.7996785     21.1356652     -5.5437784    -14.3979983     -2.6922004
  external PRESSURE =      -2.6436854 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.331E+03 -.139E+03 0.264E+03   0.332E+03 0.142E+03 -.266E+03   0.261E+00 -.136E+01 0.225E+01   -.102E-03 0.851E-04 -.134E-03
   -.300E+03 -.172E+03 0.353E+02   0.301E+03 0.177E+03 -.348E+02   -.657E-01 -.116E+01 0.658E-02   -.836E-04 0.715E-04 0.538E-04
   -.254E+03 -.144E+03 -.701E+00   0.254E+03 0.146E+03 0.268E+01   0.492E-01 -.130E+01 -.211E+01   -.120E-03 0.777E-04 -.944E-05
   -.299E+03 -.124E+03 0.363E+03   0.299E+03 0.125E+03 -.367E+03   0.180E+00 0.867E+00 0.171E+01   -.178E-03 0.939E-04 -.262E-03
   -.247E+03 -.156E+03 0.327E+03   0.247E+03 0.156E+03 -.328E+03   0.723E-01 -.126E+01 0.146E+01   -.238E-03 0.634E-04 -.205E-03
   -.210E+03 -.133E+03 0.170E+03   0.209E+03 0.133E+03 -.170E+03   0.702E+00 -.881E-01 0.604E+00   -.198E-03 -.146E-03 -.101E-03
   -.360E+03 -.964E+02 0.215E+03   0.362E+03 0.937E+02 -.223E+03   0.450E+00 -.635E+01 0.937E+00   -.882E-04 0.132E-03 -.176E-04
   -.271E+03 -.112E+03 -.478E+02   0.271E+03 0.115E+03 0.556E+02   -.126E+00 -.532E+01 0.252E+01   -.446E-04 0.741E-04 0.897E-04
   -.150E+03 0.721E+01 0.204E+03   0.150E+03 -.725E+01 -.204E+03   0.754E-01 -.169E-01 0.451E+00   -.289E-03 -.418E-03 -.295E-04
   -.137E+03 0.975E+02 0.775E+02   0.137E+03 -.992E+02 -.760E+02   0.279E+00 0.137E+01 -.142E+01   -.256E-03 -.200E-03 0.346E-03
   -.150E+03 0.163E+03 0.144E+03   0.150E+03 -.166E+03 -.145E+03   0.875E+00 0.109E+01 0.502E+00   -.213E-03 -.326E-03 0.114E-03
   -.163E+03 0.110E+01 0.349E+03   0.163E+03 -.191E+00 -.349E+03   -.184E+00 0.927E+00 0.202E+01   -.356E-03 -.312E-03 -.364E-03
   -.168E+03 -.114E+02 0.387E+03   0.168E+03 0.116E+02 -.391E+03   -.378E+00 -.139E+01 0.172E+01   -.425E-03 0.257E-04 -.269E-04
   -.180E+03 0.709E+02 0.345E+03   0.181E+03 -.740E+02 -.349E+03   -.269E+00 0.281E+00 0.226E+01   -.260E-03 -.187E-03 -.134E-03
   -.189E+03 0.579E+02 0.317E+03   0.191E+03 -.507E+02 -.322E+03   0.179E+01 0.589E+01 0.344E+01   -.225E-03 0.640E-04 -.169E-03
   -.184E+03 0.187E+03 0.418E+02   0.183E+03 -.193E+03 -.347E+02   0.328E+00 0.433E+01 0.379E+01   -.161E-03 -.464E-03 0.351E-03
   -.187E+03 0.134E+03 0.520E+02   0.188E+03 -.128E+03 -.482E+02   -.582E+00 -.556E+01 -.531E+01   -.142E-04 0.217E-03 0.115E-03
   -.985E+02 0.229E+03 -.195E+03   0.973E+02 -.231E+03 0.200E+03   0.114E+01 0.202E+01 -.144E+01   -.135E-03 -.168E-03 0.478E-04
   -.693E+02 0.171E+03 -.217E+03   0.687E+02 -.172E+03 0.220E+03   0.930E-01 -.647E+00 -.183E+01   -.181E-03 -.120E-03 0.143E-03
   -.172E+03 0.136E+03 0.189E+03   0.174E+03 -.135E+03 -.193E+03   -.111E+01 -.817E+00 0.334E+01   -.837E-04 -.674E-04 -.147E-03
   -.109E+03 0.105E+03 0.701E+01   0.108E+03 -.108E+03 -.691E+01   0.194E+01 0.250E+01 -.163E+01   -.362E-04 0.658E-04 -.151E-03
   -.866E+02 0.385E+02 -.171E+03   0.867E+02 -.378E+02 0.173E+03   0.249E+00 -.469E+00 -.161E+00   -.957E-04 0.994E-04 0.101E-03
   -.101E+03 -.229E+02 -.214E+03   0.101E+03 0.226E+02 0.213E+03   0.105E+00 -.857E+00 -.728E-01   -.109E-03 0.856E-04 0.110E-03
   -.656E+02 -.863E+02 -.306E+03   0.663E+02 0.881E+02 0.305E+03   -.991E+00 -.208E+01 0.103E+01   -.141E-03 0.558E-04 0.101E-03
   -.366E+02 -.156E+03 -.410E+03   0.362E+02 0.157E+03 0.412E+03   0.359E+00 -.345E+00 -.131E+01   -.170E-03 0.801E-04 0.155E-03
   -.165E+03 -.173E+03 -.207E+03   0.166E+03 0.174E+03 0.205E+03   -.569E+00 0.274E+00 0.243E+01   -.974E-04 0.362E-04 0.319E-04
   -.129E+03 -.316E+03 -.236E+03   0.129E+03 0.317E+03 0.236E+03   -.212E+00 -.122E+01 0.813E+00   -.122E-03 0.625E-04 0.815E-04
   -.677E+02 -.268E+03 -.351E+03   0.679E+02 0.269E+03 0.351E+03   -.933E-01 -.103E+01 -.492E+00   -.165E-03 0.984E-04 0.174E-03
   -.803E+02 -.329E+02 -.267E+03   0.855E+02 0.425E+02 0.264E+03   -.557E+01 -.929E+01 0.469E+01   -.216E-03 0.156E-03 0.147E-03
   -.832E+02 0.110E+03 0.295E+02   0.770E+02 -.119E+03 -.290E+02   0.505E+01 0.112E+02 -.450E+01   -.134E-03 -.437E-04 -.638E-04
   -.168E+03 -.500E+02 -.711E+02   0.168E+03 0.506E+02 0.737E+02   -.917E-01 -.453E+00 -.210E+01   0.161E-03 0.257E-05 0.105E-03
   -.113E+03 -.179E+03 0.957E+02   0.112E+03 0.182E+03 -.942E+02   0.274E+00 -.208E+01 -.602E+00   0.178E-03 0.801E-04 -.606E-04
   -.148E+03 -.162E+03 0.139E+03   0.148E+03 0.165E+03 -.139E+03   0.942E-01 -.135E+01 0.111E+01   0.189E-03 0.586E-04 -.528E-04
   -.295E+03 -.619E+00 -.164E+03   0.294E+03 -.111E+01 0.169E+03   0.659E+00 0.226E+01 -.182E+01   0.159E-03 -.614E-04 0.145E-03
   -.299E+03 -.618E+02 -.191E+03   0.299E+03 0.608E+02 0.192E+03   0.394E+00 -.378E+00 -.198E+01   0.149E-03 -.614E-05 0.110E-03
   -.228E+03 -.667E+02 -.241E+02   0.227E+03 0.667E+02 0.236E+02   0.384E+00 0.146E+00 -.770E+00   0.157E-03 -.778E-04 -.424E-05
   -.627E+02 -.525E+02 -.324E+02   0.617E+02 0.515E+02 0.369E+02   0.697E-01 -.547E+01 -.284E+01   0.163E-03 0.148E-04 0.129E-03
   -.431E+02 -.181E+03 0.149E+03   0.432E+02 0.187E+03 -.155E+03   0.370E-01 -.452E+01 -.459E+01   0.168E-03 0.150E-03 -.753E-04
   -.194E+03 0.625E+02 -.367E+02   0.194E+03 -.621E+02 0.366E+02   -.271E+00 0.336E+00 -.478E+00   0.150E-03 -.200E-03 -.424E-04
   -.811E+02 0.914E+02 0.158E+03   0.814E+02 -.932E+02 -.160E+03   -.490E+00 0.375E+00 0.130E+01   0.169E-03 -.232E-04 -.201E-03
   -.751E+01 0.998E+02 0.104E+03   0.710E+01 -.102E+03 -.106E+03   0.964E+00 0.849E+00 -.707E-01   0.377E-04 -.173E-03 0.186E-04
   -.219E+03 0.835E+02 -.252E+03   0.219E+03 -.832E+02 0.253E+03   0.102E+00 0.130E+01 -.131E+01   0.793E-04 -.168E-03 0.257E-03
   -.162E+03 0.537E+02 -.325E+03   0.162E+03 -.552E+02 0.328E+03   -.196E+00 -.915E+00 -.197E+01   0.105E-03 0.846E-04 0.261E-03
   -.655E+02 0.812E+02 -.189E+03   0.651E+02 -.838E+02 0.192E+03   -.984E-01 0.250E+01 -.148E+01   0.103E-03 -.889E-04 0.114E-03
   -.163E+02 0.806E+02 -.149E+03   0.148E+02 -.793E+02 0.155E+03   0.237E+00 0.696E+01 -.610E+00   0.516E-04 -.154E-03 0.284E-03
   0.351E+02 0.104E+03 0.140E+03   -.364E+02 -.109E+03 -.143E+03   -.379E+00 0.453E+01 -.237E+01   -.591E-04 -.250E-03 0.956E-04
   0.863E+02 0.549E+02 0.978E+02   -.852E+02 -.470E+02 -.100E+03   -.148E+01 -.575E+01 0.203E+01   0.877E-04 0.767E-04 -.546E-04
   0.311E+02 0.151E+03 0.301E+03   -.304E+02 -.152E+03 -.304E+03   -.837E+00 0.146E+01 0.302E+01   0.789E-04 -.169E-03 -.739E-04
   -.177E+02 0.156E+03 0.242E+03   0.193E+02 -.155E+03 -.245E+03   -.233E+01 -.662E+00 0.211E+01   0.115E-03 -.115E-03 -.715E-04
   0.969E+02 0.884E+02 -.756E+02   -.977E+02 -.887E+02 0.801E+02   -.156E+00 0.232E+00 -.297E+01   0.360E-04 -.136E-03 0.654E-04
   0.624E+02 0.655E+02 -.107E+02   -.621E+02 -.674E+02 0.949E+01   -.653E+00 0.127E+01 0.236E+01   0.540E-04 0.353E-04 0.970E-04
   0.428E+02 0.457E+02 0.109E+03   -.426E+02 -.449E+02 -.110E+03   0.688E+00 -.662E+00 0.771E+00   0.104E-03 0.824E-04 -.282E-04
   -.107E+03 -.254E+02 0.460E+02   0.107E+03 0.251E+02 -.461E+02   0.677E+00 -.889E-01 -.459E+00   0.682E-04 0.740E-04 0.242E-04
   -.309E+03 -.623E+02 0.140E+03   0.310E+03 0.647E+02 -.137E+03   -.240E+01 -.158E+01 -.252E+01   -.329E-04 0.551E-04 0.124E-03
   -.346E+03 -.963E+02 0.191E+03   0.347E+03 0.969E+02 -.195E+03   0.824E-01 -.547E+00 0.287E+01   -.458E-04 0.102E-03 0.547E-04
   -.112E+03 -.172E+03 -.119E+03   0.111E+03 0.172E+03 0.122E+03   0.633E+00 0.103E+01 -.188E+01   0.364E-04 0.790E-04 0.567E-04
   -.163E+03 -.164E+03 -.189E+03   0.162E+03 0.165E+03 0.193E+03   0.692E+00 -.917E+00 -.269E+01   -.134E-04 0.138E-03 0.911E-04
   -.264E+03 -.567E+02 0.217E+02   0.264E+03 0.472E+02 -.190E+02   0.134E+01 0.592E+01 -.256E+01   -.202E-04 0.965E-04 0.605E-04
   -.239E+03 0.128E+02 0.157E+03   0.238E+03 -.832E+01 -.150E+03   0.408E+01 -.702E+01 -.101E+02   -.118E-03 0.164E-03 0.129E-03
   -.422E+02 0.415E+02 -.601E+02   0.453E+02 -.507E+02 0.528E+02   -.372E+01 0.790E+01 0.860E+01   0.160E-04 -.256E-04 0.288E-04
   -.476E+03 -.773E+02 0.924E+02   0.477E+03 0.758E+02 -.951E+02   0.456E-01 -.812E+00 0.124E+01   -.336E-04 -.208E-03 0.102E-03
   -.458E+03 -.127E+03 -.915E+02   0.459E+03 0.130E+03 0.922E+02   0.437E+00 -.159E+01 0.953E+00   -.954E-05 -.235E-03 0.118E-03
   -.413E+03 -.122E+03 -.121E+03   0.414E+03 0.125E+03 0.124E+03   -.322E+00 -.217E+00 -.188E+01   -.512E-04 -.275E-03 0.963E-05
   -.391E+03 -.922E+02 0.190E+03   0.391E+03 0.932E+02 -.193E+03   0.616E+00 0.163E+01 0.127E+01   -.872E-04 -.578E-04 0.247E-05
   -.319E+03 -.121E+03 0.146E+03   0.319E+03 0.121E+03 -.148E+03   -.296E-01 -.863E+00 0.141E+01   -.185E-03 -.117E-03 -.901E-04
   -.320E+03 -.101E+03 0.142E+02   0.320E+03 0.101E+03 -.138E+02   0.404E+00 -.812E+00 0.767E+00   -.157E-03 -.218E-03 -.970E-04
   -.524E+03 -.109E+03 -.134E+02   0.525E+03 0.116E+03 0.162E+02   -.918E+00 -.417E+01 -.326E+00   0.114E-03 -.245E-03 0.100E-04
   -.474E+03 -.787E+02 -.118E+03   0.474E+03 0.813E+02 0.124E+03   -.115E+01 -.529E+01 0.290E+01   0.160E-03 -.143E-03 0.139E-03
   -.259E+03 0.327E+02 0.405E+02   0.259E+03 -.324E+02 -.401E+02   0.141E+00 -.255E+00 0.559E+00   -.191E-03 -.554E-04 -.158E-03
   -.302E+03 0.121E+03 -.421E+02   0.302E+03 -.123E+03 0.434E+02   0.431E-01 0.172E+01 -.163E+01   -.200E-03 -.129E-03 -.756E-04
   -.317E+03 0.166E+03 0.236E+02   0.317E+03 -.169E+03 -.244E+02   0.189E+00 0.156E+01 0.378E+00   -.259E-03 -.138E-05 -.700E-04
   -.220E+03 0.281E+02 0.145E+03   0.220E+03 -.272E+02 -.146E+03   -.277E+00 0.796E+00 0.201E+01   -.225E-03 0.479E-04 -.249E-03
   -.230E+03 -.334E+01 0.165E+03   0.230E+03 0.401E+01 -.169E+03   -.257E+00 -.143E+01 0.174E+01   -.204E-03 0.114E-03 -.371E-03
   -.298E+03 0.645E+02 0.161E+03   0.298E+03 -.669E+02 -.164E+03   -.704E-01 0.572E+00 0.207E+01   -.239E-03 0.102E-03 -.272E-03
   -.329E+03 0.530E+02 0.148E+03   0.331E+03 -.485E+02 -.153E+03   0.639E+00 0.612E+01 0.243E+01   -.199E-03 0.245E-03 -.116E-03
   -.348E+03 0.174E+03 0.228E+02   0.347E+03 -.180E+03 -.168E+02   0.131E+00 0.445E+01 0.392E+01   -.175E-03 0.117E-03 0.112E-03
   -.350E+03 0.102E+03 0.107E+03   0.351E+03 -.961E+02 -.102E+03   0.170E+00 -.482E+01 -.472E+01   -.153E-03 0.447E-03 0.724E-04
   -.206E+03 0.227E+03 0.283E+02   0.205E+03 -.229E+03 -.250E+02   0.397E+00 0.217E+01 -.250E+01   0.699E-04 0.471E-03 0.423E-04
   -.111E+03 0.132E+03 0.821E+02   0.110E+03 -.133E+03 -.783E+02   0.309E+00 -.277E+00 -.231E+01   0.185E-03 0.260E-03 -.185E-03
   -.388E+03 0.998E+02 0.204E+03   0.390E+03 -.993E+02 -.208E+03   -.752E+00 -.113E+01 0.219E+01   -.241E-03 0.396E-03 0.259E-04
   -.324E+03 0.869E+02 0.123E+03   0.324E+03 -.892E+02 -.123E+03   0.176E+01 0.225E+01 -.216E+01   -.133E-03 0.124E-03 -.971E-04
   -.202E+03 0.197E+02 0.817E+02   0.201E+03 -.190E+02 -.796E+02   0.244E+00 0.370E+00 -.210E+00   0.508E-04 -.112E-03 -.185E-03
   -.173E+03 0.949E+01 0.126E+03   0.173E+03 -.104E+02 -.128E+03   -.943E+00 -.217E+00 0.717E+00   0.183E-03 0.191E-04 -.129E-03
   -.189E+02 -.540E+02 0.647E+02   0.192E+02 0.561E+02 -.659E+02   -.154E+01 -.354E+01 0.261E+01   0.209E-03 0.784E-04 0.691E-04
   0.305E+02 -.591E+02 -.488E+02   -.319E+02 0.575E+02 0.537E+02   0.476E+00 0.654E+00 -.297E+01   0.204E-03 0.140E-03 0.805E-04
   -.260E+03 -.134E+03 0.152E+03   0.262E+03 0.136E+03 -.155E+03   -.201E+01 0.286E+00 0.296E+01   0.195E-03 0.166E-03 -.105E-03
   -.111E+03 -.243E+03 0.200E+03   0.111E+03 0.245E+03 -.204E+03   0.465E+00 -.173E+01 0.266E+01   0.242E-03 0.165E-03 -.112E-04
   0.250E+01 -.104E+03 0.998E+02   -.253E+01 0.992E+02 -.106E+03   -.366E+00 0.503E+01 0.429E+01   0.210E-03 0.864E-04 -.175E-05
   0.336E+02 -.923E+02 0.535E+02   -.270E+02 0.102E+03 -.569E+02   -.316E+01 -.120E+02 0.510E+01   0.313E-03 0.117E-03 -.223E-04
   -.374E+03 0.126E+03 0.858E+02   0.372E+03 -.136E+03 -.815E+02   0.266E+01 0.120E+02 -.513E+01   -.556E-04 0.291E-03 -.288E-03
   -.174E+03 -.607E+02 -.139E+03   0.174E+03 0.626E+02 0.142E+03   0.680E-01 -.436E-01 -.306E+01   -.624E-04 -.133E-03 -.731E-04
   -.147E+03 -.202E+03 0.244E+02   0.146E+03 0.206E+03 -.226E+02   0.330E+00 -.160E+01 -.355E+00   -.720E-04 -.196E-03 -.867E-04
   -.168E+03 -.180E+03 0.800E+02   0.168E+03 0.182E+03 -.808E+02   -.750E-01 -.185E+01 0.113E+01   -.971E-04 -.252E-03 -.513E-04
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   0.178E+03 -.538E+03 -.142E+03   -.210E+03 0.574E+03 0.181E+03   0.284E+02 -.349E+02 -.369E+02   0.237E-03 0.272E-03 0.907E-04
   -.392E+03 -.759E+02 -.399E+02   0.431E+03 0.586E+02 0.773E+02   -.370E+02 0.145E+02 -.365E+02   0.848E-04 0.189E-03 0.614E-04
   0.301E+02 -.106E+03 0.893E+03   -.615E+02 0.126E+03 -.941E+03   0.296E+02 -.166E+02 0.456E+02   -.403E-03 0.413E-03 0.109E-02
   -.281E+03 0.178E+03 0.697E+03   0.323E+03 -.201E+03 -.728E+03   -.398E+02 0.212E+02 0.309E+02   0.200E-03 0.169E-03 0.938E-03
   0.169E+03 0.413E+03 0.291E+03   -.208E+03 -.449E+03 -.274E+03   0.381E+02 0.341E+02 -.156E+02   -.328E-03 0.317E-04 0.427E-03
 -----------------------------------------------------------------------------------------------
   -.100E+01 0.151E+03 -.238E+02   -.153E-11 0.136E-11 0.165E-11   0.100E+01 -.151E+03 0.238E+02   0.139E-01 -.279E-02 0.254E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.66583      3.13347      1.41449         0.665851      1.338959     -0.168793
     12.50193      3.54735      2.70967         0.664582      3.234489      0.456111
     12.52686      4.95888      3.01399         0.215382      0.056935     -0.129703
     12.81089      4.04070      0.40098         0.548166      2.033308     -2.316695
     12.85680      5.45154      0.67073        -0.029562     -1.708837      0.231612
     12.70894      5.95354      1.97804         0.291859     -0.442598      0.752449
     12.64493      1.76034      1.45986         2.420245     -9.036290     -7.146538
     12.27693      2.37190      3.44960        -0.967855     -2.201602     10.288179
     12.82555      7.46174      2.20939         0.110623     -0.061305      0.565691
     12.72752      8.10279      3.49083         0.217874     -0.335175      0.077772
     12.98040      9.49684      3.65634         0.142222     -2.484813      0.034054
     13.13351      8.30990      1.12093         0.167627      1.831875      1.124046
     13.32934      9.72133      1.31554         0.100696     -1.138490     -2.418231
     13.25770     10.28730      2.57156        -0.154813     -2.855697     -1.601731
     13.38396     11.53618      3.04809         3.958449     13.054731     -2.411228
     13.07421     10.36014      4.77942        -0.968080     -2.244268     10.916248
     13.47002     12.83643      5.35951         0.953244      0.007155     -1.548569
     13.13311     12.75985      6.65634        -0.023053     -0.456415      2.823818
     13.24437     13.90568      7.43934        -0.474567     -1.858425      1.284884
     13.77774     14.12794      4.89147         0.804138      0.069668     -1.296401
     13.82348     15.25187      5.72388         0.917437     -0.294824     -1.537634
     13.55716     15.18879      7.06323         0.351028      0.228318      2.487511
     13.64025     16.30438      8.09749         0.374202     -1.175094     -1.363842
     13.20188     16.20334      9.40440        -0.239553     -0.239320      0.842534
     13.35097     17.25489     10.28819         0.001105      0.604358      1.191522
     14.17718     17.52724      7.78368         0.945645      1.467474     -0.285402
     14.31382     18.63223      8.59829        -0.037444     -0.267920      0.754218
     13.90966     18.47430      9.90932         0.119787     -0.146514     -0.199813
     12.55729     14.98303      9.92238        -0.387445      0.313189      1.814982
     14.31208     16.49029      5.15683        -1.139453      2.981068     -4.035490
      9.72202      3.81727      4.79701        -0.229506      0.145992      0.445237
      9.93247      4.74447      3.80746        -0.328431      1.005068      0.916165
     10.04231      6.08824      4.14331        -0.032440      1.689739      0.430486
      9.58144      4.19817      6.09313        -0.320507      0.530961      2.901096
      9.68019      5.56591      6.48344         0.025490     -1.425903     -0.821334
      9.94718      6.54374      5.51810         0.130452      0.178054     -1.230488
      9.64501      2.51522      4.23247        -0.963738     -6.376766      1.656536
     10.05475      4.00675      2.62316         0.133983      1.329995    -10.602995
     10.10195      7.98766      5.91421        -0.252978      0.728189     -0.623796
     10.38185      9.02302      4.95347        -0.192319     -1.388491     -1.003899
     10.44434     10.36414      5.29492         0.550158     -1.266626     -2.070937
      9.91937      8.42232      7.24201         0.142973      1.586233     -0.244850
     10.04848      9.81840      7.58070        -0.652805     -2.400503      1.424606
     10.31891     10.72189      6.59005        -0.513645     -0.075992      0.792109
     10.51038     12.09540      6.61559        -1.260494      8.186252      5.913077
     10.89083     11.56148      4.50531        -1.692914     -0.500390     -4.968939
     11.07746     14.01519      4.97398        -0.362368      2.142090     -0.326513
     11.52447     14.38425      3.70491        -0.103314      0.183945     -0.710375
     11.83391     15.71956      3.44727        -0.734903     -0.417848     -0.843540
     11.02215     15.10612      5.87819        -1.005063     -0.110956      1.472953
     11.21792     16.46989      5.53501        -0.368345     -0.601049      1.114195
     11.58294     16.84014      4.24651         0.905848      0.164740     -0.954501
     11.98735     18.22927      3.80059         0.597253     -0.335887     -0.560503
     12.53376     18.58931      2.52459        -1.523597      0.791017      0.757860
     12.53977     19.97687      2.19122         0.725061      0.089812     -1.177224
     11.85937     19.31845      4.63666         0.059088      1.217349      0.580671
     11.98525     20.67610      4.36446         0.178410      0.294386      1.045699
     12.30832     21.09589      3.08395         0.701193     -3.571936      0.072025
     12.64230     17.56451      1.42100         2.715269     -2.578906     -2.805542
     11.00218     17.50365      6.63160        -0.603749     -1.290346      1.298468
      9.96067      7.16592     14.59385         0.723388     -2.344288     -1.425514
      9.78913      7.58967     15.85562         1.262001      1.324070      1.619733
      9.87222      8.94776     16.17394         0.445974      2.450697      0.398659
     10.07749      8.03866     13.56814         0.696062      2.630969     -2.345153
     10.15436      9.48033     13.84160        -0.108491     -1.502480      0.135634
     10.05030      9.99054     15.14941         0.339331     -1.405873      1.140133
      9.81658      5.64793     14.58415         0.949015      3.056596      2.411400
      9.57063      6.43103     16.65316        -0.910526     -2.705654      8.550109
     10.16451     11.48121     15.45620         0.298566     -0.004456      0.964924
     10.09448     12.05811     16.78651         0.249973     -0.217053     -0.417194
     10.26625     13.45992     17.01170         0.208501     -1.767752     -0.330875
     10.43535     12.38087     14.40764         0.177420      1.748459      0.994904
     10.59018     13.78456     14.66652         0.322531     -0.753966     -2.412928
     10.48035     14.29974     15.94311         0.201949     -1.890379     -1.013360
     10.51710     15.59792     16.41114         2.258472     10.604944     -2.196938
     10.19869     14.30715     18.16870        -0.599230     -1.146645      9.931589
     10.38501     16.85441     18.72220         0.662892      1.354076      0.407646
     10.10924     16.79937     20.06245         0.000920     -0.197996      0.791347
     10.02035     17.99222     20.76449        -0.606232     -1.879156      1.440009
     10.56259     18.20389     18.27254         0.780475     -0.677342     -1.567074
     10.51048     19.35443     19.05299         1.212839     -0.088243     -1.517660
     10.24834     19.29054     20.40237         0.147801      1.076105      1.918125
     10.25255     20.44414      0.15424        -0.522917     -1.139285     -1.403458
      9.82665     20.40879      1.47697        -1.192471     -1.443435      1.331859
      9.79941      0.22002      2.32930        -0.849285     -0.896899      1.982484
     10.57388      0.47353     21.08715        -0.304073      2.042617      0.046870
     10.31889      1.64005      0.57098         0.408703      0.392921     -0.517623
      9.98145      1.52057      1.91166        -0.394549      0.326925     -1.779549
      9.40944     19.14756      2.13023         3.442763     -2.164413      1.727564
     10.83439     20.63197     18.40507         0.413439      2.226598     -0.825891
      7.13007      7.57146     17.53704        -0.082056      1.818948     -0.043817
      7.35520      8.50509     16.54080        -0.556441      1.989359      1.477310
      7.49601      9.88274     16.87914        -0.375920      0.321069      0.297701
      7.07130      7.96914     18.84802        -0.384082      0.869616      2.538582
      7.11418      9.35624     19.20346         0.078510     -1.631577     -0.949283
      7.34679     10.35618     18.23423        -0.159852     -0.258416     -1.321749
      7.01763      6.34417     16.89079        -1.843203    -10.367754      2.889914
      7.47185      7.76150     15.34003        -1.140692      2.371706    -10.054406
      7.37388     11.81283     18.62348        -0.268726      1.043039     -0.261120
      7.63106     12.92328     17.72845        -0.240812     -0.710314     -0.331531
      7.60476     14.27255     18.15046        -0.031908     -1.899101     -1.513329
      7.06373     12.19178     19.94510         0.380320      1.781155     -0.615917
      7.04503     13.57992     20.32565        -0.509898     -1.974459      1.895847
      7.31600     14.57731     19.43749        -0.438955     -0.793027      0.637778
      7.40309     15.96526     19.54327        -2.236139      7.447507      7.539049
      7.95163     15.52239     17.53065         0.504320      1.474917     -8.549481
      7.90186     17.99287     18.06784        -0.818829      2.611008      0.546682
      8.47226     18.41596     16.89866         1.101520      1.277970     -1.672167
      8.79887     19.80054     16.71539        -1.717646     -1.692436     -1.024202
      7.63166     19.07662     18.97565        -1.135545      0.021611      0.879336
      7.74724     20.45824     18.65602        -0.393619     -1.026934      0.062897
      8.23154     20.87819     17.39585         1.070300      0.506998      0.189784
      8.59317      1.06131     17.02887         0.166829     -0.038460     -0.702409
      8.98982      1.43744     15.72441        -0.170701     -0.212285     -0.051536
      9.22898      2.79401     15.39755         0.978338     -0.356622     -1.432627
      8.66142      2.16066     17.91109        -0.437805      1.198707      0.041887
      8.89013      3.51832     17.59451         0.086486     -0.441439      1.324817
      9.21457      3.88328     16.28493         0.445877     -1.577312      0.889327
      9.17045      0.44293     14.57449        -1.224363     -3.602254      7.605430
      7.37642      0.22411     19.69436        -2.457731     -1.354024      0.981038
      7.03437     10.82275      6.14762         0.233172      0.599540     -1.494133
      6.84600     11.28237      7.40340         0.014456      2.368450      0.932363
      6.96493     12.66040      7.69861         0.051200      0.679465      0.125297
      7.37325     11.67961      5.12039         0.493563      1.538680     -1.672620
      7.51747     13.08683      5.37530        -0.429262     -1.550309      0.647314
      7.29972     13.61901      6.67484        -0.225010     -0.483371      0.370666
      6.85755      9.41712      6.19572         0.685575     -6.420829     -6.264924
      6.56018     10.12582      8.17457        -1.788803     -1.062213     10.079766
      7.41461     15.11832      6.90927        -0.276038      0.199247      0.620839
      7.12281     15.77344      8.15968         0.027944     -0.622145     -0.166792
      7.24862     17.18119      8.29378        -0.247822     -2.607264     -0.012707
      7.80124     15.96493      5.84163        -0.336622      1.548438      1.011395
      7.87165     17.38590      6.02638         0.235941     -1.098739     -2.292347
      7.62267     17.96084      7.25681         0.040410     -0.368079     -1.775105
      7.70596     19.28452      7.73857         2.490369      9.321975     -3.982098
      7.11157     18.07915      9.35961        -2.913642     -1.046277     10.983608
      7.37485     20.58095      9.92063         0.718188      1.737513      0.528836
      6.95399     20.55223     11.22787        -0.048111      0.508479      0.667828
      6.80677      0.49366     11.91832         0.255408     -1.789560      1.013238
      7.73482      0.64716      9.54259         0.760710     -0.536737     -1.276956
      7.73081      1.77303     10.38139         1.144317     -0.180192     -0.886837
      7.27950      1.76290     11.67733         0.004608     -0.169787      1.852694
      7.29518      2.86643     12.72693         0.511984      0.398971     -0.967768
      6.90066      2.93642     14.05838        -1.875782     -2.898970      1.748889
      6.88793      3.97888     14.92142        -0.780027      0.833358      1.863496
      7.74813      4.14522     12.46041         0.445386      0.537022     -0.873566
      7.68616      5.27853     13.25409        -0.239918      3.082613     -0.919222
      7.19963      5.26597     14.54699        -0.077695      0.455591      0.233935
      6.20454      1.83310     14.74457         3.157195     -4.613104     -3.691956
      8.26836      3.02250      9.88539         1.684887      0.037151     -3.178054
      4.02420     11.48227     10.74601         0.343745      1.341025      1.552611
      3.74688     12.35712      9.73285         0.077488      2.129304      0.164237
      3.82385     13.75364      9.94427         0.002787      0.480306      0.060337
      4.35768     11.96262     12.00733         0.474694      0.878453      1.783628
      4.42434     13.38013     12.26793        -0.274428     -1.666363     -1.172132
      4.16813     14.30781     11.23261        -0.121608      0.008696     -0.745626
      3.86708     10.20687     10.22142         1.112315    -10.599563      3.325758
      3.40470     11.54661      8.61077        -2.656057      1.610549     -9.387710
      4.27456     15.80172     11.48560        -0.060358      0.688621     -0.516512
      4.14429     16.79574     10.44315        -0.470185     -3.563795     -1.258373
      4.25520     18.12601     10.67683        -0.741093     -0.200818     -2.752714
      4.55650     16.31238     12.78301         0.057534      0.240107     -0.491599
      4.72030     17.70351     12.97989         0.158794     -1.816500      1.016377
      4.51077     18.50044     11.89703         0.771543      4.665195      3.225103
      4.59168     20.04288     11.86310        -0.560652     -1.729694      2.772747
      4.32694     19.31632      9.82154        -1.275643     -0.474113     -8.220938
      4.68858      0.61555     10.11556        -0.553378      0.196233     -0.752142
      4.95398      0.92696      8.78934        -0.156664      1.118268     -0.454924
      5.23926      2.26206      8.45393        -0.013581      0.036528     -0.138588
      4.69383      1.74375     10.96697        -1.103224     -0.293824      1.223551
      4.90374      3.08554     10.56838        -0.339112      0.423546      1.055508
      5.29402      3.42732      9.26816         0.549691     -0.938349     -0.509636
      5.84723      4.80199      8.79371        -0.113404     -1.753171     -3.416530
      6.23132      5.09571      7.39869        -0.860582     -0.002334      2.032510
      6.44631      6.43310      7.05804         0.604958      0.651552     -0.185658
      5.83844      5.91117      9.52877        -0.610785      3.262699      2.688616
      6.02758      7.27397      9.18823        -0.163048      0.223535      2.407645
      6.32605      7.61674      7.90811         0.697812     -3.267676     -0.990056
      6.20843      3.97286      6.37139         1.680666      0.633729     -2.163487
      4.79945      4.14784     11.66300        -1.625166     -1.035168      1.547905
      1.41770     14.36657      0.64747        -0.740770     -2.240137     -0.906529
      1.87773     14.72307      1.85959        -0.429363      3.406867      1.360199
      1.77089     16.12344      2.22410        -0.548017      0.145891     -0.664729
      0.82976     15.24313     21.04453        -1.131164      2.230677     -3.155104
      0.85865     16.65248      0.02416        -0.487105     -2.042746      0.232280
      1.25797     17.12618      1.29329        -0.025599     -0.490625      0.734161
      1.62264     12.89164      0.51942        -5.366697     -2.558434     -3.479418
      2.40779     13.56297      2.43237         5.091375     -4.767041      9.663777
      1.09122     18.62365      1.51543        -0.132567      0.488868      0.349961
      1.42646     19.32923      2.71949         0.041805     -0.651068      0.063943
      1.30007     20.73083      2.81866        -0.516196     -2.139483     -0.780277
      0.56868     19.43591      0.45878         0.046342      1.595220      1.192091
      0.42528     20.86462      0.62148        -1.223156     -1.643787     -3.404472
      0.78292      0.20618      1.77216         0.090110     -0.169526      0.772782
      0.85229      1.56987      2.16454        -2.844667      7.883806     -5.028879
      1.62774      0.40904      3.80383         3.735146      0.095914      9.896032
      1.55935      2.95323      4.12162        -0.349080      1.500141     -0.111545
      2.08418      2.92459      5.37126         0.404484     -0.543855      1.139378
      2.24524      4.12909      6.00716         0.457498     -0.875344      1.189418
      1.21260      4.24584      3.66871        -0.874246     -0.510163     -1.664579
      1.45454      5.41378      4.37227        -1.315974      0.339998     -0.882213
      2.06070      5.43586      5.61424        -0.308896      0.733101      1.040245
      2.35239      6.67292      6.45936        -0.315105     -2.655888     -0.144378
      2.98556      6.64700      7.67355        -0.836177     -3.206878      1.595777
      3.33918      7.69397      8.47003         0.521694      1.570876      1.437365
      2.18393      7.94669      6.11771         0.002246      4.196063     -0.936527
      2.63778      9.11384      6.77018        -0.666223      0.762475     -0.496825
      3.18806      9.04289      8.05653        -0.717453     -1.723476     -1.226710
      3.07919      5.28341      8.27568         3.826495     -0.098689      3.195518
      0.89585      6.64880      3.80111         0.064193      2.113868     -2.465766
      4.60147     14.02939      0.74686         0.548938      0.901926      0.718481
      3.88282     14.93868      0.00387         0.959270      3.271320      1.133760
      3.90506     16.34695      0.36447         0.679541     -0.413275      0.347103
      5.38563     14.47605      1.78687         1.446004      1.266935      2.068170
      5.43370     15.87778      2.17223        -0.749863     -1.752643     -1.332127
      4.67814     16.86179      1.48571        -0.268260     -0.365921     -0.856684
      4.40227     12.76763      0.16297         4.150780    -10.331291      1.446035
      3.27694     14.16135     20.29193        -6.543235     -0.272845    -11.168160
      4.75711     18.34028      1.91886        -0.289640      0.989105     -0.329153
      4.05974     19.45858      1.29837         0.564149     -0.015362      0.506675
      4.19304     20.82082      1.77881        -0.348108     -2.624646     -1.429214
      5.59848     18.71853      3.00634        -0.504977      2.024597     -0.141231
      5.72014     20.09679      3.44350         1.113834     -1.909562      0.975570
      5.00168     21.10418      2.82405         0.881546     -0.710242      0.935907
      4.93814      1.25797      3.04419         4.395190      5.661054      5.790331
      3.66583      0.82738      1.39165        -6.530437      3.899998     -7.588907
      3.77463      3.36892      2.15282         0.210351      0.617858     -0.180948
      2.93611      3.90615      1.18843        -0.342239      1.965662      0.442105
      2.62624      5.28036      1.25294         2.282721      0.276272     -0.067259
      4.21878      4.32000      3.08581         0.703923     -0.169541      0.430533
      3.99936      5.73378      2.97072         1.702858     -2.168987      1.407844
      3.35184      6.35438      1.97670        -2.329813      0.172694     -2.936572
      3.27524      7.94859      1.78544        -2.509477     -2.232916     -2.612679
      2.35834      8.61595      0.86984        -0.049220     -3.206159      0.980157
      2.11315      9.91175      0.74031        -0.400408      3.227268      0.704947
      3.62586      8.88465      2.61871         2.451919      4.998481      5.288534
      3.29896     10.33603      2.69219         1.628273     -1.292535      1.457526
      2.56272     10.91721      1.70582        -0.172398     -1.329204     -0.749603
      1.76731      7.63259     21.22595         0.630959     -0.327045     -0.444009
      4.61959      6.55681      3.97100         1.617300      0.245584      4.693199
     18.36118     17.28833     13.28378        -0.813533      3.113352      0.226195
     19.39564     17.77433     14.04782         0.546496      1.382590      0.630643
     19.56476     19.16081     14.21073         0.551471      0.554795      0.314587
     17.46426     18.17215     12.69292        -1.283016      1.475824     -0.706207
     17.61278     19.58710     12.85136         0.575850     -1.727622      0.467889
     18.67997     20.11010     13.62373        -0.083835      0.097252      0.361469
     18.46463     15.94353     13.31924        -5.300183    -11.069679     -1.860006
     20.21285     16.62885     14.46013         2.589562      0.261789      3.900622
     18.80284      0.35156     13.85532         0.772014      0.104080      0.528345
     19.88136      0.96872     14.61452        -0.294813     -1.679500     -0.316093
     19.86240      2.33328     14.89307         0.800446     -1.795654      0.717792
     17.79166      1.22350     13.40414         0.420132      1.138762      0.459356
     17.83522      2.61640     13.72761        -2.125869     -0.827640     -1.666372
     18.87554      3.12654     14.45753        -1.892542      0.376258     -1.164906
     19.11216      4.43012     14.94658        -4.093789      8.496843      0.166608
     20.61499      3.19359     15.74688         9.011111     -3.228214      5.172744
     20.87124      5.59062     16.50301        -4.745995      1.768617     -1.357088
      0.80717      5.55372     17.01668         5.877678      1.248499      2.253463
      1.46900      6.82551     17.26911         1.477180     -3.007134      1.908468
     20.32567      6.93593     16.44050        -1.029216     -0.832680      0.374938
     20.90488      8.03706     17.11820        -2.712355      1.234691     -0.215005
      0.90042      8.05367     17.59851         3.360051     -0.671636      1.631002
      1.75213      9.16589     18.29016        -4.939699      2.118160     -0.068603
      2.94486      9.14488     18.90262         3.636828      0.739263      2.488112
      3.52910     10.24168     19.63249         0.944169      0.809722     -0.254451
      1.12754     10.44937     18.64977        -1.705737     -3.088542     -3.352693
      1.76695     11.57259     19.02214        -0.037063      4.903951     -0.012360
      3.07608     11.61244     19.56031        -0.791610     -3.303879     -0.095683
      3.78737      7.96774     18.96913        -1.485383     -4.550720     -1.195842
     20.14797      9.30993     17.26079        -5.078128     -0.960728     -2.229249
      2.04374     18.09689     14.09556         1.580059      3.033207      1.875447
      1.25285     19.04521     13.50313         0.032190      1.530578     -0.327082
      1.41824     20.40444     13.82102        -0.279756      0.766209     -0.349757
      3.06516     18.50805     14.94084         1.726239      1.084626      1.370942
      3.36209     19.90422     15.16603        -1.441927     -2.059856     -0.600451
      2.48582     20.88018     14.65134        -0.574084      0.622610     -0.115897
      1.58474     16.89077     13.76417         1.866244    -12.892290     -1.346834
      0.37053     18.32875     12.61901        -7.020374      3.884815     -6.105697
      2.68311      1.09535     14.94831        -1.010627      1.284366      0.102888
      1.85668      2.16452     14.38729        -1.476318     -4.770788     -1.117039
      2.04271      3.46236     14.65239        -0.479072      2.136093     -0.660219
      3.68297      1.56352     15.83197        -1.055546      0.638299     -0.078413
      3.89361      2.95469     16.07310         1.401837     -2.530557      1.461320
      3.03557      3.80110     15.49004         0.879701      3.724744      0.342445
      3.03819      5.30397     15.62449        -0.753578     -2.197674     -1.640204
      1.32820      4.72484     14.32847        -7.349603     -1.730840     -6.185675
      1.42352      7.18639     14.80934        -1.392667      1.383579     -0.741926
      0.15461      7.52445     14.29788         0.654936      0.604952     -0.446750
     21.01404      8.86840     14.29537        -0.564546     -0.363755     -1.395053
      2.00777      8.29658     15.48892         2.194903     -0.217307     -0.907064
      1.57392      9.63062     15.37182         2.179202      0.514393      0.958505
      0.43314     10.01445     14.71186        -2.284271     -0.638732     -0.801629
     21.00324     11.35299     14.67178        -0.717016      0.126161      0.061926
     19.67503     11.62198     14.18201         0.999611      0.140434     -0.475120
     19.29172     12.96825     13.96410        -1.633920     -0.176125     -0.309178
      0.37825     12.51993     15.06078        -0.102230      0.767925      0.324890
     -0.04117     13.83623     14.98104         0.477843      0.299993      0.543499
     20.02435     14.12992     14.35363        -0.476998     -2.311147      0.759397
     18.82977     10.53454     13.51499        -4.395881     -2.727980      1.158340
      2.38696     10.70440     16.04519         1.112560     -0.200370     -0.283716
     16.21358      0.40939      5.12678        -1.163098      0.781405     -0.710159
     17.05903      0.89844      6.06432        -0.337431      2.110488      1.028251
     17.10581      2.26911      6.36267        -0.072757      1.179226      0.586523
     15.32464      1.24278      4.50783        -1.883801      1.685073     -1.241269
     15.32719      2.65556      4.77976         0.758531     -1.490846      0.338985
     16.25195      3.21865      5.69052         0.179986     -0.610620      0.337827
     16.48553     20.29940      5.00854        -3.936956     -8.167734     -5.954399
     17.71793     21.02537      6.55741         7.096874     -2.308867      8.160571
     16.27570      4.71552      5.94802         0.411248      0.039249      0.445268
     17.17271      5.34584      6.87705         0.057340     -0.844225     -0.024495
     17.13877      6.73603      7.09400         0.481952     -2.083768      0.279533
     15.37794      5.57390      5.27444         0.642901      1.718302      0.897890
     15.38715      6.99434      5.53818        -1.531786     -1.217076     -1.714065
     16.26955      7.54071      6.44220        -0.984081     -0.225829     -1.119121
     16.50446      8.85890      6.90208        -4.062747      9.052537     -2.186242
     17.82075      7.59370      8.00137         6.310144     -1.508308      7.467429
     17.97300     10.10345      8.57703         0.018752      1.183020      0.834932
     18.97050      9.99683      9.52805         0.014748      0.228905      0.054849
     19.49126     11.14788     10.10073         0.385002     -1.272037      0.585017
     17.56079     11.44458      8.37999        -1.315859     -0.211883     -0.812451
     18.04559     12.55751      9.07882        -1.207086     -0.454741     -0.571109
     19.06649     12.45928     10.00770         1.063542      0.432296      1.532300
     19.72828     13.58238     10.82237        -1.070077     -0.377300     -0.842224
     20.88384     13.55633     11.59663         1.455624     -0.963191      0.621921
      0.27430     14.61319     12.17148         1.147792      0.180460      0.478651
     19.25457     14.88240     10.83449         0.022087     -0.207115     -0.449763
     19.83770     15.99343     11.37460         1.522126      2.247037     -0.050302
     21.09949     15.92362     12.02235        -2.037650     -1.323534     -1.528153
      0.34792     12.33702     11.89933         0.474776     -5.071170     -0.467057
     17.40424     13.83919      8.79401        -0.901618      1.655344     -1.474844
     20.19598      1.23612      6.18895         0.305543      1.737880      0.031009
     19.63750      2.29539      5.46918         0.713859     -0.619528     -0.119788
     19.77938      3.57572      5.88794         0.465969      2.638528      0.822526
     20.79232      1.48203      7.39542         1.471807      0.682280      2.581387
     20.93831      2.83616      7.89300        -0.551463     -1.851177     -1.340149
     20.45691      3.91087      7.13440        -0.519841      0.449178     -1.160398
     19.92027      0.11353      5.41985         2.840944    -11.384795      1.999583
     18.97223      1.68152      4.33814        -4.190548      5.030274     -6.381625
     20.65114      5.35148      7.54939        -0.067978      0.218711     -0.005190
     20.25161      6.43483      6.70984        -1.145213     -3.778012     -1.840235
     20.45713      7.71156      7.03430        -0.750352      0.748899     -1.451261
     -0.01138      5.69630      8.79333        -0.362041      1.026479     -0.524733
      0.23016      7.06021      9.12423         0.175831     -1.897075      0.522035
     21.05494      7.95870      8.17969         1.835634      4.465956      2.939359
     21.08552      9.49589      8.22811         5.298965      0.773416      7.641323
     20.06261      8.98575      6.45413        -4.084638      0.369650     -8.438019
     20.23903     11.51118      6.98700        -0.133725      0.174719     -1.170328
     19.45171     11.91210      5.91423        -0.274969      0.506057     -0.447700
     19.17071     13.26880      5.75179        -0.179912     -0.722269     -1.002554
     20.74906     12.58477      7.73740         1.184398      0.011230      0.985264
     20.50843     13.96283      7.45466         1.362750     -0.855822      1.167357
     19.66474     14.37540      6.45009        -1.204294      0.061054     -1.376011
     19.13082     15.76981      6.18126         0.516729     -0.127788      0.278593
     18.24186     16.14879      5.16746         0.287790     -0.005056     -0.334270
     17.78227     17.45754      5.04623        -1.023205      0.769674     -1.052388
     19.41187     16.85311      7.00237         0.500321      1.289617      0.701281
     18.93434     18.16651      6.94692         1.051895     -0.080967      1.070730
     18.05781     18.51525      5.94800        -0.077468     -1.366300     -0.420438
     17.80787     15.15316      4.15200        -1.068349      1.081690     -1.287414
     21.18947     14.99940      8.29964         1.861009     -1.105524     -0.030192
     12.24671      5.32561      4.00810         0.606151     -0.409117     -0.035681
     12.90777      3.74541     20.57819        -0.052187     -0.026711      1.086803
     13.01764      6.14087     21.10833        -0.082163     -0.192924     -0.254781
     12.41900      7.47165      4.33667         0.392002      0.379094      0.007973
     13.25362      7.90091      0.13462         0.043683      0.091063     -0.474266
     13.55249     10.32827      0.40476        -0.138309     -0.252222      0.788049
     13.02447     13.63674      8.45431         0.203778      0.090148     -0.408216
     12.72371     11.83919      7.14966         0.967436      0.669765     -0.589417
     13.90599     14.29093      3.81268         0.511177     -0.284341      0.439083
     13.03389     17.14034     11.33364        -0.043002     -0.105433     -0.283043
     14.41386     17.80884      6.80154         0.495241     -0.155299     -0.082547
     14.69345     19.58136      8.19327        -0.031575     -0.280405      0.167212
     10.23748      6.84758      3.36833        -0.221412     -0.439342      0.102954
      9.34509      3.45840      6.88954         0.445121      0.506263     -0.925645
      9.51935      5.84262      7.51950         0.072306     -0.179639      0.167403
     10.66956      8.66818      3.93664        -0.772891      0.690483      0.594754
      9.62104      7.71055      8.00000         0.069875      0.004139      0.369210
      9.88144     10.09027      8.64228         0.207522      0.156879     -0.611598
     12.28842     15.82169      2.48368         0.025420     -0.142811      0.347909
     11.78851     13.65610      2.91589        -0.316083      0.312883      0.447682
     10.83268     14.86782      6.94706        -0.182654      0.207965     -0.798406
     12.58466     20.20230      1.11213         0.615408      0.029446      0.556424
     11.70388     19.18022      5.67465        -0.066297      0.201780     -0.076003
     11.81068      0.12885      5.19976         0.169436     -0.342287     -0.634736
      9.67715      9.34198     17.20012         0.598801     -0.821275     -0.578512
     10.09535      7.77859     12.46800         0.105355     -0.131912      1.273680
     10.29608     10.18032     13.01386        -0.126376     -0.350830     -0.119725
      9.80974     11.39547     17.60499         0.358848      0.190092      0.191170
     10.55916     12.02221     13.39786         0.023679      0.094349     -0.357862
     10.83068     14.44186     13.78711        -0.301641     -0.418068      0.866229
      9.82254     17.72728      0.51497        -0.218692      0.162430     -0.308071
      9.96242     15.85971     20.62163         0.083840      0.363233     -0.465079
     10.66275     18.35293     17.19875         0.714407     -0.168286      0.187433
      9.72510     -0.00795      3.40921        -0.580854      0.346279     -0.647327
     10.82277      0.74958     20.10931         0.953417      0.112977     -0.064196
     10.60250      2.61809      0.11012        -0.702088     -0.756662      0.416514
      7.83003     10.59544     16.12316        -0.491658     -0.097155     -0.152968
      6.90186      7.22973     19.66620         0.246764      0.459311     -0.720356
      6.91530      9.63280     20.22527         0.150079     -0.109442      0.458465
      7.95954     12.64742     16.72398        -0.578279      0.467620     -0.058658
      6.77031     11.45637     20.66958        -0.004469     -0.124859      0.508341
      6.75249     13.80479      0.11588         0.644494     -0.068387     -0.880610
      9.51684     19.90588     15.93332        -0.147208      0.100902     -0.096786
      8.94370     17.75090     16.13853        -0.685140      0.267888      0.632994
      7.25582     18.83759     19.98139         0.097584     -0.036413     -0.379807
      9.40893      3.02390     14.33508         0.289993     -0.210957      0.491331
      8.53008      2.02746     18.97134         0.025461      0.116097     -0.140070
      8.79286      4.24317     18.44397         0.369477     -0.564245     -0.962389
      6.81404     13.04515      8.71529        -0.007050     -0.382188     -0.109312
      7.55172     11.33774      4.06878        -0.199662      0.008192      0.904921
      7.81035     13.74175      4.56358        -0.012138     -0.082944     -0.244586
      6.81365     15.13529      8.99707         0.064621      0.423433      0.042977
      8.05723     15.54375      4.87599         0.061293      0.179211     -0.156984
      8.20695     17.97296      5.14063        -0.441189     -0.223002      0.786709
      6.25363      0.29001     12.78407        -0.299647      0.206589      0.869969
      6.50566     19.66631     11.67758         0.795000     -0.159728     -0.023165
      8.08491      0.78180      8.52535         0.076664      0.100276     -0.203252
      6.66246      3.74200     15.96807        -0.202159      0.442700     -0.281320
      7.98423      4.42110     11.46599         0.610141      0.244886      0.431746
      7.98080      6.27792     12.76138        -0.630086     -1.517029      0.755102
      3.60114     14.46444      9.13889        -0.042003     -0.404482     -0.031889
      4.57315     11.29075     12.87066        -0.192244      0.234186     -0.759332
      4.66449     13.72947     13.26308         0.086554     -0.126942      0.241370
      3.99104     16.41726      9.42040        -0.039093      0.275381      0.173250
      4.60121     15.63959     13.63779         0.215020      0.113652     -0.017602
      4.91912     18.05131     14.00569         0.438656      0.129202     -0.970138
      5.45867      2.34779      7.42024        -0.150748     -0.273456     -0.059966
      4.95884      0.20388      7.97347        -0.070716     -0.142600      0.208888
      4.54305      1.56286     12.04233        -0.303808      0.203790     -0.524813
      6.69443      6.60866      6.03974         0.378838      0.282281     -0.594734
      5.43633      5.88066     10.54268         0.584826      0.381317     -1.201005
      5.81528      8.03903     10.00972         0.453371     -0.933969     -1.150400
      2.09548     16.46970      3.18217         0.238395     -0.001193      0.793578
      0.50263     14.96106     19.98301         0.345113     -0.028451      1.757711
      0.54188     17.32851     20.47317         0.041629     -0.522760      0.364845
      1.81086     18.74446      3.55697         0.038814      0.219553      0.159013
      0.25224     19.01699     20.77168        -0.038782      0.065197     -0.120964
      0.02973      0.19317     20.99140         0.472618     -0.563513      1.146079
      2.59580      3.88487      6.95727        -0.269006     -0.241499      0.033565
      2.36167      1.99542      5.91578        -0.297005      0.584874     -0.585041
      0.78807      4.33049      2.65714        -0.158681     -0.080999      0.550718
      3.76770      7.52712      9.45582        -0.403705     -0.044077     -0.051966
      1.91245      8.18108      5.13619        -0.665669      0.517764     -0.579482
      2.50021     10.08828      6.22748         0.133797     -0.806180      0.699733
      3.24698     17.04004     21.13283         0.046384      0.153736     -0.707879
      6.06049     13.78590      2.35268        -0.722667      0.343258     -0.407644
      6.07381     16.15575      2.98935         0.301730     -0.057431      0.365412
      3.39598     19.23626      0.48029        -0.163496      0.210225     -0.466490
      6.18377     17.97664      3.52330         0.225917     -0.134162      0.290435
      6.42012     20.30280      4.29738        -0.641412     -0.010344     -0.695658
      1.96368      5.48952      0.48735        -1.180010      0.309276     -0.814219
      2.39593      3.38055      0.43201        -0.110535     -0.728192     -0.308018
      4.79975      3.96992      3.93211         0.019835      0.089458     -0.101324
      1.62029     10.26994     21.12491        -1.027525     -0.007819     -0.247194
      4.07714      8.65111      3.59498         0.035480      0.594928     -1.275275
      3.72408     10.90459      3.58569        -0.658924     -0.655171     -1.234491
     20.48948     19.57923     14.65630        -0.712630     -0.562954      0.297500
     16.59311     17.82307     12.10115         0.558926     -0.060430      0.270351
     16.90474     20.25659     12.38645        -0.275040     -0.035304     -0.234078
     20.68329      0.28377     14.95425        -0.385052      0.705782      0.222388
     16.96414      0.83325     12.81049        -0.049164      0.236990      0.110537
     16.98151      3.24320     13.36245         0.804777     -0.269773      0.377779
      2.57461      6.67925     17.22064        -1.505127      0.482730      0.919890
      1.53120      4.69581     16.94566        -1.264488      0.476372      0.609379
     19.38313      7.09679     15.92566        -0.226390     -0.074683      0.262070
      4.40109     10.05465     20.26833        -0.070504     -0.151734     -0.329810
      0.17787     10.63092     18.07423         1.838827      0.365082      1.914083
      1.28391     12.58680     18.63679         0.889149     -1.979001      1.453419
      0.70969     21.16672     13.44512         0.377690     -0.612861     -0.257317
      3.77105     17.76643     15.37218        -0.818813      0.325264      0.087144
      4.24938     20.17034     15.70854         0.360048      0.018294      0.370781
      0.94596      1.78413     13.85824         0.838834      0.767431     -0.099923
      4.45025      0.87665     16.11348        -0.170231     -0.445221      1.020014
      4.78899      3.25426     16.66601        -0.958207      0.060211     -0.170599
     20.05433      8.93291     13.83670         0.106946     -0.003163      0.165214
     20.74684      6.78350     13.85039         0.259873      0.031330     -0.053536
      2.87071      8.11534     16.15217        -0.010346      0.412764     -1.046298
     18.37982     13.11335     13.35645         0.286096      0.068862      0.563462
      1.33318     12.48133     15.49671         0.262732      0.416222     -0.750057
      0.65704     14.61931     15.31668        -0.413414     -0.337134     -0.096162
     17.84810      2.68649      7.06534        -0.557360     -0.602834      0.027073
     14.54101      0.86520      3.80900         0.879831      0.083278      0.482627
     14.60960      3.29054      4.28324        -0.185379     -0.034073     -0.191567
     17.89856      4.69592      7.39166        -0.271477      0.517441      0.089822
     14.67744      5.16996      4.55661        -0.199335      0.125906     -0.179506
     14.65244      7.60721      4.97050         0.587141     -0.194901      0.521949
     20.32580     10.87086     10.69907         0.062660      0.109793     -0.301218
     19.50478      9.07113      9.72461        -0.564230     -0.094063      0.282812
     16.77579     11.61047      7.64235        -0.002364      0.063912      0.013414
      1.07156     14.34484     12.86574         0.246280      0.503682     -0.431218
     18.49676     15.15238     10.17981        -1.312876      0.324593     -0.162977
     19.45267     17.00996     11.11436         0.238181     -0.848977      0.149890
     19.35779      4.40879      5.30087         0.104900     -0.475322      0.036504
     21.16504      0.66161      8.06243        -0.273283      0.530854     -0.789923
      0.20616      2.99919      8.81886         0.035288     -0.112168      0.369730
     19.71801      6.17498      5.78309         0.244397      0.259093      0.177062
      0.33119      4.91968      9.45701        -0.307147     -0.009954      0.429494
      0.73373      7.26839     10.09395        -0.438131      0.357959     -0.734790
     18.52220     13.40058      4.91839         0.030081     -0.249837      0.214666
     19.02735     11.21530      5.17642         0.174666      0.077907      0.461753
      0.09773     12.35237      8.62438         0.058117      0.118681     -0.489607
     17.05697     17.66841      4.24729         0.503290     -0.025786      0.111249
     20.07736     16.76930      7.82819        -0.206027      0.250323     -0.433458
     19.37637     18.89651      7.66378        -0.679252     -0.490994     -0.485855
     14.04495     19.28276     10.59324        -0.132628      0.516307      0.807993
     18.69013     20.93947      3.74019        -0.650612     -1.355866     -1.263846
     12.42792      1.14476      2.74802         0.867039      5.620200     -2.467731
     13.36995     11.68770      4.55615         0.470531     -2.679981     -4.655020
      9.91566      2.57349      2.77250        -0.978732      3.738394      3.668805
     10.83132     12.69661      5.29148        -1.104771     -2.995051      2.652477
      9.53989      5.17502     15.89056         1.080792      3.430025     -0.063395
     10.39240     15.71815     17.94745         0.798982     -4.091574     -4.892577
      7.15329      6.35081     15.47133         0.086209      3.389348      1.946787
      7.75462     16.66066     18.34983        -1.000674     -4.657438      1.202385
      6.52015      8.89921      7.47071         0.768129      4.356072     -1.355004
      7.34897     19.46942      9.11173         0.750204     -4.109690     -3.382168
      3.47319     10.12050      8.84091         1.033888      4.327420      3.375589
      4.45728     20.51276     10.50667        -0.232144     -0.102520      2.724679
      2.28613     12.27998      1.57325        -0.824188      4.487901      0.305061
      1.35276      1.79729      3.43751        -0.613785     -4.607535     -2.095567
      3.61695     12.67041     20.26234         0.995061      5.455900      2.386041
      4.05037      1.98940      2.19623         1.542456     -4.844011      0.253165
     19.63217     15.42396     14.14312        -3.392112      3.485019     -1.641833
     20.23089      4.49048     15.88681        -2.675533     -1.626947     -1.682826
      0.44922     16.96762     12.58745         4.690113      3.159634      3.705357
      1.81776      5.85613     14.79940         4.463213     -0.639746      1.426663
     17.48889     19.77961      5.85444        -2.024030      4.475601     -0.237217
     17.52163      8.99237      7.87296        -1.831663     -3.372507     -1.841851
     19.13610      0.32695      4.31957         2.220827      2.615705      2.054919
     20.46083     10.09968      7.15788         1.506413     -0.243862      1.971846
     12.00670      2.37511      4.84257         1.775776      0.142272     -6.194420
     12.88545      0.93821      0.30979        -0.370146      4.168515      5.627240
     12.80212      9.89430      6.15140         1.972895      1.867039     -6.590454
     13.75937     12.73757      2.25969        -2.030701     -6.482837      3.842019
     10.21531      4.56756      1.30532        -1.443286     -2.594365      6.509902
      9.41840      1.41089      4.86623         0.399554      3.880758     -2.118718
     11.05108     11.54662      3.21974        -1.044680      0.100012      3.078529
     10.31594     12.91172      7.71694         0.808349     -4.108366     -5.350990
      9.31941      6.42923     18.01751         2.091240      0.078004     -6.536350
      9.80484      5.04172     13.58426         2.014843     -3.173408     -3.687681
      9.95174     13.83235     19.48875         1.755097      2.060691     -6.318210
     10.79978     16.73932     15.65728        -1.173654     -5.919944      3.699023
      7.59967      8.34867     14.06148        -1.144545     -2.664748      6.026585
      6.85005      5.13295     17.56302         0.057801      5.781759     -3.053464
      8.27574     15.60947     16.20073        -1.970617     -0.265259      5.163478
      7.10050     16.68884     20.70949         1.373860     -3.527658     -5.443511
      6.34335     10.18410      9.55475         1.410228     -0.236543     -6.461782
      7.02525      8.62366      5.13924        -0.419665      3.155927      4.116578
      6.71574     17.66343     10.63952         2.619366      1.875981     -6.125486
      8.10668     20.36515      6.98694        -1.890274     -4.963091      3.238330
      3.05280     12.03881      7.36673         1.674450     -2.210853      5.773401
      4.09475      9.02915     10.95528        -1.346158      5.633447     -3.219653
      4.24706     19.26004      8.48382         0.447186      0.240290      5.204452
      4.68408     20.60750     12.95800        -0.734601      0.579521     -1.548134
      3.01812     13.40088      3.72196        -3.335911      1.134764     -6.851080
      0.85745     12.24917     20.93155         1.953504      1.800220      2.608720
      2.15874      0.09629      5.06134        -2.447368      1.335409     -6.270198
      0.47058      2.60356      1.35133         1.239728     -4.563000      3.597210
      2.41444     14.56540     19.16325         4.939440     -1.617591      5.433577
      5.01754     11.57905      0.60360        -2.475420      5.481710     -1.444329
      2.77330      1.02336      0.32760         4.853374     -1.057049      4.801350
      5.68992      1.88406      3.96105        -2.924375     -2.847788     -4.035097
      0.02122     16.72791     15.17618        -1.852821     -0.008895     -0.471306
     17.51967     14.99333     12.80589         4.380231      5.173512      2.951990
      0.53559      2.71292     16.36180        -5.949257      2.049276     -1.947085
     18.35108      5.50458     14.69762         3.202114     -4.542882      0.906801
     20.63027     19.00181     11.86236         4.895588     -2.765921      2.762528
      2.21194     15.60400     13.97697        -2.953750      7.082543     -0.835899
      0.14502      4.68608     13.54766         5.391841      0.068930      2.980492
      3.82667      5.91198     16.25646         1.809627      1.619136      0.383088
     18.60055     21.08365      7.64138        -4.928327     -0.410841     -4.460868
     15.82332     19.46293      4.11377         2.987780      4.045969      3.827358
     18.68373      7.14224      8.96184        -4.732952      1.946880     -3.830000
     15.80730      9.96062      6.47420         3.129349     -4.988157      1.742948
     18.27461      2.35782      3.39893         2.861165     -2.916402      3.748710
     20.30667     20.01339      5.78169        -1.184581      6.940932     -2.550050
     19.40905      9.08585      5.27576         2.410506     -0.477117      4.867610
      0.49137     10.03458      9.32383        -2.901588     -2.084951     -6.248636
     13.54562     17.68584      5.35331        -0.324471     -1.005438      0.263165
     15.44643     16.97445      5.52370         3.633277     -0.902971      1.817484
     14.42889     16.58229      3.75818        -0.182903     -1.678858      0.774047
     11.95009     15.04499     11.10524        -0.221595      1.885337      3.682368
     11.49245     14.59864      9.25240        -1.398667     -1.007694     -2.980986
     13.44848     13.99423     10.16987         1.200982     -1.220738     -0.301986
     11.91281     18.28284      7.20535         3.309583      1.364571     -0.140229
     10.10408     18.38252      6.28602        -2.747906      1.884601     -1.791109
     10.52356     17.00485      7.77486        -1.715723     -2.990344      1.631270
     12.87855     18.05467      0.20883         0.114416      2.562668     -1.106839
     13.77972     16.75083      1.55906         0.092675      0.548295      0.747738
     11.74338     16.49596      0.95879        -0.419866      1.001281      1.202517
      9.99374      0.40973     18.71403        -1.360832     -0.344650      0.571588
     11.94978      0.01774     18.69498         4.425533     -0.420738      2.369187
     10.93120     20.76256     17.08343         0.169732     -1.778288     -2.530000
      9.34781     19.03924      3.49430        -1.171423      1.791028      0.432230
      8.41944     18.46836      1.67688        -3.625113     -0.246863     -1.248257
     10.46064     18.12449      1.99206        -1.602717      0.758883     -0.079079
      8.19071      0.82406     20.52197         3.843458      1.259276      0.757345
      6.67086      1.22055     19.21604        -2.117001      1.924816     -2.523243
      6.54870     21.00874     20.65108        -2.276474     -2.907702      1.001208
      9.13979      0.83644     13.46508        -2.157330      4.753631     -9.767667
     10.30111     21.06085     14.55157         3.531328     -2.499480      2.069717
      8.08829     20.39330     14.62535         6.016442     -3.184584     -0.025797
      7.50276      4.07205      9.88300        -2.928518      2.143824      0.950342
      9.34004      3.56588     10.41176         4.114876     -0.687960      2.546572
      8.60601      3.05310      8.57015         0.701719     -2.140684     -1.844839
      6.33606      1.48369     15.99066        -1.376970      2.093649      2.542654
      5.06940      1.47117     14.17049        -0.332817      0.648105     -0.646733
      7.00886      0.42619     14.36905        -5.063019      6.777639     -0.461008
      5.79152      4.94812     11.87485         4.186736      1.330643     -0.253190
      3.87064      5.08993     11.68689        -4.287680      1.062939     -1.027219
      4.61212      3.67194     12.91477        -0.632577     -2.759187      1.304449
      6.72329      4.33055      5.18944         1.771874      2.060199     -1.879080
      7.07071      3.01953      6.68589         1.510983     -1.925776      1.747395
      5.13732      3.28571      5.89232        -2.094413      0.266809      1.180920
      0.15542      7.47383      4.51173        -2.892179     -0.409438      2.366144
      1.82935      7.59643      3.45685         1.445372     -0.199104     -0.090561
      0.23940      6.58896      2.61861        -1.033053     -1.917202     -0.527819
      3.59123      5.33108      9.59715        -0.735899      1.594403     -1.455331
      2.13712      4.43174      8.60447        -3.005575     -1.093805     -0.883057
      4.00857      4.47158      7.58170        -1.304274      1.451906      0.361874
      5.57712      7.37082      3.58802         2.203195     -0.210778     -1.990695
      3.91343      7.41186      4.78765        -1.670315      0.847289     -0.873751
      5.10421      5.87948      5.10724        -0.073408     -1.487899     -1.900458
      1.21040      8.05401     20.14813        -0.396432      4.112848     -4.225278
      2.91572      6.96458     -0.36874        -2.270662      0.284320      6.734447
      0.70215      6.83283      0.15594        -1.073356     -3.174927      4.463756
     19.82804      9.69141     18.45760        -0.702827     -0.782584      4.338422
     20.48020     10.47237     16.72742         2.037945      1.893773     -1.292887
     18.87963      9.23818     16.62842        -0.103915     -1.821413      0.740142
      4.61396      7.70722     19.90324         3.487581      2.019464      2.692940
      3.02841      6.60039     19.19737         0.877627      0.097920     -8.581590
      4.46001      7.71582     17.84762         0.083752      0.503689     -1.676823
      3.02716     11.53212     15.24144         1.703479      1.316946     -4.513257
      1.78990     11.64314     16.78727        -1.525175      0.078295      1.666583
      3.40965     10.32494     16.79721         1.826473     -2.089165      0.975972
     17.62905     10.97441     13.06447        -0.088333      1.790342     -0.425858
     19.09697      9.57888     12.49067         0.976637      1.332749      0.072399
     18.32652      9.58507     14.49320         0.725140      1.257540     -0.498576
     16.78483     14.44069      9.79502        -1.764997     -0.269910      2.805286
     18.20001     14.84008      8.35769         2.232903      0.937649      0.041632
     16.51659     13.91513      7.80009        -2.128276     -2.036511     -1.694103
      1.29508     12.11477     12.84706         0.506347      1.922668     -0.367588
     20.66487     11.27748     12.28546         2.064208      1.287484     -1.420328
      0.97286     11.75877     10.80451        -0.269986      1.263796     -0.030374
      0.60462     15.93613      7.66569         2.507476      1.200323     -3.805515
     20.49564     15.76932      9.06856        -3.699279      1.362518      2.655740
      0.83233     14.56188      9.18228         1.940563     -2.725559      0.920828
     17.12467     15.61636      3.12258        -1.753730      2.875854     -1.934630
     18.80923     14.58282      3.47343         2.281627     -1.285586     -0.081674
     16.91183     14.24620      4.59617        -0.512765     -1.442231      1.480100
 -----------------------------------------------------------------------------------
    total drift:                                0.011109      0.016889     -0.023687


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4440.4610859681 eV

  energy  without entropy=    -4440.5342062238  energy(sigma->0) =    -4440.48545939
 
 d Force =-0.1677566E+01[-0.130E+03, 0.126E+03]  d Energy =-0.1308706E+02 0.114E+02
 d Force = 0.4903848E+04[ 0.395E+04, 0.586E+04]  d Ewald  = 0.4861820E+04 0.420E+02


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   13.087059  1 .order    1.677566 -126.266168  129.621300
  (g-gl).g = 0.156E+03      g.g   = 0.182E+03  gl.gl    = 0.219E+03
 g(Force)  = 0.182E+03   g(Stress)= 0.000E+00 ortho     =-0.125E+01
 gamma     =   0.71077
 trial     =   0.69886
 opt step  =   0.29908  (harmonic =   0.34485) maximal distance =0.14064736
 next E    = -4479.671782   (d E  = -26.12364)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   11(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) :-0.7143553E+01  (-0.8844629E+03)
 number of electron    2497.9999920 magnetization 
 augmentation part      162.1737344 magnetization 

  free energy =  -0.444760463050E+04  energy without entropy=  -0.444766116277E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   11(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3600
 total energy-change (2. order) :-0.3410350E+02  (-0.3946173E+02)
 number of electron    2497.9999921 magnetization 
 augmentation part      163.6836951 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7014
  0.7014

  free energy =  -0.448170813200E+04  energy without entropy=  -0.448182745321E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   11(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3736
 total energy-change (2. order) : 0.2028854E+01  (-0.9535320E+00)
 number of electron    2497.9999920 magnetization 
 augmentation part      162.9012749 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1367
  1.1367  1.1367

  free energy =  -0.447967927833E+04  energy without entropy=  -0.447979011946E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   11(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) : 0.7447616E+00  (-0.5832214E+00)
 number of electron    2497.9999920 magnetization 
 augmentation part      162.4417530 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1654
  1.6956  0.9799  0.8209

  free energy =  -0.447893451669E+04  energy without entropy=  -0.447904159246E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   11(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3720
 total energy-change (2. order) : 0.8577373E-02  (-0.8983623E-01)
 number of electron    2497.9999920 magnetization 
 augmentation part      162.3969748 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2719
  2.1899  0.9703  0.9703  0.9570

  free energy =  -0.447892593932E+04  energy without entropy=  -0.447904473482E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   11(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3600
 total energy-change (2. order) : 0.1374227E-01  (-0.3170971E-01)
 number of electron    2497.9999920 magnetization 
 augmentation part      162.4219987 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2326
  2.3020  1.0525  1.0525  0.7939  0.9622

  free energy =  -0.447891219705E+04  energy without entropy=  -0.447903663618E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   11(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3680
 total energy-change (2. order) : 0.2459028E-03  (-0.9364665E-02)
 number of electron    2497.9999920 magnetization 
 augmentation part      162.4489829 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1576
  2.3362  0.9972  0.9972  0.9782  0.9782  0.6586

  free energy =  -0.447891195115E+04  energy without entropy=  -0.447904239763E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   11(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3488
 total energy-change (2. order) : 0.2335898E-02  (-0.1768036E-02)
 number of electron    2497.9999920 magnetization 
 augmentation part      162.4625547 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2302
  2.4244  1.3354  1.3354  1.0856  0.9515  0.9515  0.5277

  free energy =  -0.447890961525E+04  energy without entropy=  -0.447904550549E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   11(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3616
 total energy-change (2. order) : 0.4657254E-03  (-0.1424811E-02)
 number of electron    2497.9999920 magnetization 
 augmentation part      162.4527367 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2034
  2.4689  1.8170  1.0304  1.0304  0.9195  0.9195  0.9304  0.5108

  free energy =  -0.447890914953E+04  energy without entropy=  -0.447905067765E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   11(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3632
 total energy-change (2. order) : 0.4458750E-04  (-0.4998738E-03)
 number of electron    2497.9999920 magnetization 
 augmentation part      162.4527399 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1917
  2.5451  1.9354  1.0686  1.0686  0.9216  0.9216  0.9728  0.7868  0.5044

  free energy =  -0.447890910494E+04  energy without entropy=  -0.447905430493E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   11(  11)  ---------------------------------------



 eigenvalue-minimisations  :  3648
 total energy-change (2. order) : 0.1097657E-04  (-0.3014951E-03)
 number of electron    2497.9999920 magnetization 
 augmentation part      162.4563082 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1950
  2.6085  1.8870  1.3367  1.0757  1.0757  0.8668  0.8668  0.9540  0.7731  0.5051

  free energy =  -0.447890909396E+04  energy without entropy=  -0.447905628421E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   11(  12)  ---------------------------------------



 eigenvalue-minimisations  :  4024
 total energy-change (2. order) :-0.2495986E-03  (-0.4245970E-04)
 number of electron    2497.9999920 magnetization 
 augmentation part      162.4559052 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2549
  2.6588  2.3409  1.7419  1.0385  1.0385  0.8856  0.8856  0.9926  0.9926  0.7213
  0.5073

  free energy =  -0.447890934356E+04  energy without entropy=  -0.447905858468E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   11(  13)  ---------------------------------------



 eigenvalue-minimisations  :  4488
 total energy-change (2. order) :-0.4304714E-03  (-0.4601113E-04)
 number of electron    2497.9999920 magnetization 
 augmentation part      162.4564356 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3069
  3.0893  2.6073  1.7687  1.0666  1.0666  1.1925  0.8948  0.8948  0.9616  0.9616
  0.5072  0.6717

  free energy =  -0.447890977403E+04  energy without entropy=  -0.447906114532E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   11(  14)  ---------------------------------------



 eigenvalue-minimisations  :  3624
 total energy-change (2. order) :-0.4693428E-03  (-0.1023974E-03)
 number of electron    2497.9999920 magnetization 
 augmentation part      162.4553619 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2402
  3.1675  2.6065  1.7309  1.0557  1.0557  1.2833  0.9038  0.9038  0.9216  0.9216
  0.6824  0.5068  0.3826

  free energy =  -0.447891024338E+04  energy without entropy=  -0.447906257450E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   11(  15)  ---------------------------------------



 eigenvalue-minimisations  :  3608
 total energy-change (2. order) :-0.1234782E-03  (-0.2960684E-04)
 number of electron    2497.9999920 magnetization 
 augmentation part      162.4559244 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2053
  3.2290  2.6073  1.7591  1.0721  1.0721  1.2638  0.8874  0.8874  0.9081  0.9081
  0.6841  0.5074  0.5441  0.5441

  free energy =  -0.447891036685E+04  energy without entropy=  -0.447906277915E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   11(  16)  ---------------------------------------



 eigenvalue-minimisations  :  2336
 total energy-change (2. order) :-0.5444599E-04  (-0.1458515E-05)
 number of electron    2497.9999920 magnetization 
 augmentation part      162.4559110 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3273
  3.7750  2.5523  1.9618  1.4859  1.0523  1.0523  1.1620  1.1620  0.9731  0.9731
  0.8992  0.8992  0.5075  0.7809  0.6731

  free energy =  -0.447891042130E+04  energy without entropy=  -0.447906292635E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   11(  17)  ---------------------------------------



 eigenvalue-minimisations  :  3384
 total energy-change (2. order) :-0.2835784E-03  (-0.9470968E-05)
 number of electron    2497.9999920 magnetization 
 augmentation part      162.4556061 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3348
  4.3131  2.5139  2.1061  1.8781  1.0460  1.0460  0.8606  0.8606  0.9947  0.9947
  0.9801  0.9801  0.8111  0.8111  0.5075  0.6537

  free energy =  -0.447891070488E+04  energy without entropy=  -0.447906348713E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   11(  18)  ---------------------------------------



 eigenvalue-minimisations  :  3336
 total energy-change (2. order) :-0.8893973E-04  (-0.3885759E-05)
 number of electron    2497.9999920 magnetization 
 augmentation part      162.4558138 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3323
  4.4962  2.4548  2.2353  1.9076  0.9612  0.9612  1.0530  1.0530  1.0802  1.0802
  0.9646  0.9646  0.8274  0.8274  0.5075  0.6616  0.6139

  free energy =  -0.447891079382E+04  energy without entropy=  -0.447906374903E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   11(  19)  ---------------------------------------



 eigenvalue-minimisations  :  2624
 total energy-change (2. order) :-0.3220697E-04  (-0.2432947E-05)
 number of electron    2497.9999920 magnetization 
 augmentation part      162.4560587 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3344
  4.7385  2.5495  2.2451  1.5965  1.0419  1.0419  0.9857  0.9857  1.2406  1.0322
  1.0322  0.9587  0.9587  0.7815  0.7815  0.8819  0.5075  0.6591

  free energy =  -0.447891082602E+04  energy without entropy=  -0.447906384567E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   11(  20)  ---------------------------------------



 eigenvalue-minimisations  :  2264
 total energy-change (2. order) :-0.3115454E-04  (-0.3549360E-06)
 number of electron    2497.9999920 magnetization 
 augmentation part      162.4559934 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3966
  5.1116  2.6272  1.9904  1.9904  1.6503  1.6503  1.0627  1.0627  1.0081  1.0081
  0.9932  0.9932  0.5075  0.9467  0.8312  0.8312  0.8061  0.8061  0.6582

  free energy =  -0.447891085718E+04  energy without entropy=  -0.447906393097E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   11(  21)  ---------------------------------------



 eigenvalue-minimisations  :  2312
 total energy-change (2. order) :-0.5183960E-04  (-0.6812545E-06)
 number of electron    2497.9999920 magnetization 
 augmentation part      162.4559664 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4056
  5.4787  2.8928  2.4526  1.8043  1.8043  1.0660  1.0660  0.9996  0.9996  1.1233
  1.1233  1.0288  0.9556  0.9556  0.5075  0.7985  0.7985  0.7995  0.7995  0.6571

  free energy =  -0.447891090902E+04  energy without entropy=  -0.447906406262E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   11(  22)  ---------------------------------------



 eigenvalue-minimisations  :  2296
 total energy-change (2. order) :-0.1406009E-04  (-0.3164846E-06)
 number of electron    2497.9999920 magnetization 
 augmentation part      162.4558976 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3787
  5.5282  2.9618  2.4596  1.7967  1.6029  1.1351  1.1351  0.9637  0.9637  1.1576
  1.1576  0.9055  0.9055  1.0073  1.0073  0.8490  0.8490  0.5075  0.7245  0.6673
  0.6673

  free energy =  -0.447891092308E+04  energy without entropy=  -0.447906409415E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   11(  23)  ---------------------------------------



 eigenvalue-minimisations  :  2240
 total energy-change (2. order) :-0.4685891E-05  (-0.7332537E-07)
 number of electron    2497.9999920 magnetization 
 augmentation part      162.4558976 magnetization 

  free energy =  -0.447891092777E+04  energy without entropy=  -0.447906409491E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0956       2 -56.3618       3 -56.1684       4 -55.9405       5 -55.9345
       6 -56.3779       7 -58.0275       8 -58.2345       9 -56.4498      10 -56.1925
      11 -56.3509      12 -55.9801      13 -55.9858      14 -56.2579      15 -58.3604
      16 -58.1059      17 -56.3513      18 -54.9395      19 -54.5875      20 -55.2923
      21 -55.5590      22 -55.4873      23 -55.4089      24 -55.5105      25 -55.0428
      26 -54.5216      27 -54.8015      28 -54.9209      29 -60.4662      30 -60.3596
      31 -55.9058      32 -56.1371      33 -55.8898      34 -55.4601      35 -55.6547
      36 -56.1095      37 -58.0920      38 -58.2559      39 -56.0558      40 -55.6772
      41 -56.0426      42 -55.6861      43 -55.7911      44 -55.8949      45 -58.1738
      46 -58.2908      47 -56.4581      48 -55.1030      49 -54.6544      50 -55.3062
      51 -55.8020      52 -55.5777      53 -55.4440      54 -55.8502      55 -55.1146
      56 -54.5358      57 -54.8568      58 -56.3295      59 -60.4732      60 -60.6623
      61 -56.1350      62 -56.4139      63 -56.3750      64 -56.0316      65 -56.1723
      66 -56.3999      67 -58.1614      68 -58.5269      69 -56.3786      70 -56.1372
      71 -56.3297      72 -55.9079      73 -55.8441      74 -56.2015      75 -58.3894
      76 -58.1741      77 -56.4593      78 -54.9416      79 -54.5171      80 -55.4381
      81 -55.6718      82 -55.6187      83 -55.5936      84 -55.7844      85 -55.2717
      86 -54.7971      87 -55.0643      88 -56.5246      89 -60.7248      90 -60.6276
      91 -55.8899      92 -56.0972      93 -55.8159      94 -55.5366      95 -55.5366
      96 -56.0483      97 -58.0391      98 -58.1809      99 -56.1104     100 -55.8990
     101 -56.0578     102 -55.6085     103 -55.6368     104 -55.8848     105 -58.0607
     106 -58.3113     107 -56.3915     108 -54.9802     109 -54.9746     110 -55.1867
     111 -55.7507     112 -55.5029     113 -55.6152     114 -55.7824     115 -55.3533
     116 -54.8561     117 -55.0563     118 -56.4366     119 -60.7300     120 -60.5364
     121 -55.9422     122 -56.0306     123 -55.8678     124 -55.7875     125 -55.7911
     126 -56.1565     127 -57.9578     128 -58.0608     129 -56.1614     130 -55.8804
     131 -56.0639     132 -55.7552     133 -55.7350     134 -55.9538     135 -57.9852
     136 -58.0783     137 -56.4009     138 -54.9806     139 -54.4783     140 -55.2824
     141 -55.6959     142 -55.6698     143 -55.6862     144 -55.7193     145 -55.4090
     146 -55.0623     147 -55.5570     148 -56.3316     149 -60.4010     150 -60.6697
     151 -55.6684     152 -55.7711     153 -55.5842     154 -55.4593     155 -55.4684
     156 -55.8731     157 -57.7441     158 -57.8031     159 -55.8326     160 -55.5290
     161 -55.7670     162 -55.4524     163 -55.4797     164 -55.6486     165 -57.9405
     166 -58.0461     167 -56.5155     168 -55.1392     169 -54.6324     170 -55.4667
     171 -55.7348     172 -55.6664     173 -55.5460     174 -55.5133     175 -54.9258
     176 -54.3895     177 -54.7430     178 -56.0972     179 -60.4069     180 -60.6265
     181 -56.0448     182 -56.1735     183 -55.9410     184 -55.7028     185 -55.6986
     186 -56.2695     187 -57.9329     188 -58.1418     189 -56.2214     190 -55.8906
     191 -56.0410     192 -55.8068     193 -55.7150     194 -55.9593     195 -57.9297
     196 -58.1590     197 -56.2698     198 -54.7942     199 -54.5166     200 -55.0945
     201 -55.6474     202 -55.5016     203 -55.4055     204 -55.5411     205 -55.0245
     206 -54.6406     207 -54.8627     208 -56.2128     209 -60.5930     210 -60.3904
     211 -56.1952     212 -56.3892     213 -56.0570     214 -55.9480     215 -55.8662
     216 -56.3379     217 -58.2273     218 -58.4004     219 -56.2817     220 -55.9759
     221 -56.1353     222 -55.8203     223 -55.7149     224 -55.9953     225 -57.9126
     226 -58.2000     227 -56.3110     228 -54.8404     229 -54.6888     230 -55.0737
     231 -55.5889     232 -55.6730     233 -55.5958     234 -55.4432     235 -55.1268
     236 -54.6740     237 -55.0525     238 -56.3866     239 -60.3521     240 -60.3543
     241 -55.9616     242 -55.9404     243 -55.8328     244 -55.7205     245 -55.7050
     246 -56.0813     247 -58.0939     248 -58.0965     249 -56.2516     250 -55.9809
     251 -56.1575     252 -55.8253     253 -55.8598     254 -56.0187     255 -58.1458
     256 -58.0683     257 -56.5552     258 -55.2774     259 -54.9896     260 -55.6152
     261 -55.7196     262 -56.0017     263 -55.9394     264 -55.9094     265 -55.5708
     266 -54.9327     267 -55.7626     268 -56.5611     269 -60.6114     270 -60.4073
     271 -56.0587     272 -56.1143     273 -55.8195     274 -55.9061     275 -55.7826
     276 -56.1405     277 -58.4085     278 -57.9633     279 -55.8122     280 -55.7023
     281 -55.9043     282 -55.4773     283 -55.4230     284 -55.7294     285 -58.2190
     286 -57.9591     287 -56.5402     288 -55.2770     289 -54.6607     290 -55.7844
     291 -55.7096     292 -55.6898     293 -55.4939     294 -55.8426     295 -55.0457
     296 -54.4627     297 -54.7407     298 -56.2692     299 -60.3380     300 -60.7438
     301 -55.8867     302 -56.0399     303 -55.8921     304 -55.6395     305 -55.6703
     306 -56.0888     307 -57.9197     308 -58.1923     309 -56.1668     310 -55.8770
     311 -56.0612     312 -55.7720     313 -55.7729     314 -55.9882     315 -57.9932
     316 -58.0222     317 -56.2270     318 -54.7727     319 -54.4034     320 -55.0384
     321 -55.4395     322 -55.4127     323 -55.4831     324 -55.6866     325 -55.0892
     326 -54.8337     327 -55.0215     328 -56.4609     329 -60.3899     330 -60.2602
     331 -55.7106     332 -55.7780     333 -55.5379     334 -55.4651     335 -55.4320
     336 -55.8277     337 -57.8710     338 -57.9349     339 -55.6503     340 -55.3360
     341 -55.5171     342 -55.2796     343 -55.3347     344 -55.5180     345 -57.5163
     346 -57.8891     347 -56.2716     348 -54.8216     349 -54.4679     350 -55.1574
     351 -55.5048     352 -55.3946     353 -55.2641     354 -55.3649     355 -54.8876
     356 -54.2823     357 -54.6713     358 -56.0976     359 -60.3028     360 -60.4145
     361 -39.1288     362 -38.6664     363 -39.1481     364 -39.1470     365 -39.2267
     366 -38.7044     367 -38.4912     368 -38.1706     369 -38.1423     370 -38.1541
     371 -38.4581     372 -38.1926     373 -38.8703     374 -38.2566     375 -38.8459
     376 -38.8019     377 -38.8940     378 -38.6650     379 -38.4159     380 -38.1397
     381 -38.1173     382 -37.9984     383 -38.5767     384 -37.8992     385 -39.0884
     386 -38.7622     387 -39.1579     388 -39.0563     389 -39.1104     390 -38.5316
     391 -38.4750     392 -38.0059     393 -38.3825     394 -38.1664     395 -38.5744
     396 -38.2284     397 -38.9060     398 -38.3266     399 -38.8015     400 -38.9068
     401 -38.6944     402 -38.5766     403 -38.2468     404 -38.0761     405 -38.1268
     406 -38.3104     407 -38.3644     408 -38.0028     409 -38.7037     410 -38.5571
     411 -39.0568     412 -38.7395     413 -39.0195     414 -38.5119     415 -38.1412
     416 -38.5054     417 -38.1164     418 -38.4902     419 -38.7215     420 -38.1212
     421 -38.4489     422 -38.1927     423 -38.6219     424 -38.4297     425 -38.5531
     426 -38.6661     427 -38.4887     428 -38.1692     429 -38.3715     430 -38.0201
     431 -38.2817     432 -37.7510     433 -38.7912     434 -38.3084     435 -39.0449
     436 -38.6667     437 -39.0802     438 -38.3411     439 -38.9570     440 -37.8415
     441 -37.9608     442 -37.9605     443 -38.3512     444 -37.8622     445 -38.9793
     446 -38.7622     447 -39.0495     448 -38.8583     449 -38.9499     450 -38.3257
     451 -38.3031     452 -37.9292     453 -37.9958     454 -38.3337     455 -38.2652
     456 -38.0346     457 -38.8074     458 -38.5018     459 -38.9735     460 -38.9667
     461 -39.0260     462 -38.6070     463 -37.7689     464 -38.5298     465 -38.3621
     466 -38.6230     467 -38.6400     468 -37.7055     469 -38.8352     470 -38.8476
     471 -38.8649     472 -38.6064     473 -38.7366     474 -38.4121     475 -38.4453
     476 -38.2537     477 -38.7005     478 -37.8816     479 -38.4761     480 -37.8598
     481 -38.7793     482 -38.3985     483 -38.8904     484 -38.7675     485 -38.9707
     486 -38.5922     487 -38.0814     488 -38.0121     489 -37.8905     490 -38.1746
     491 -38.3799     492 -38.0673     493 -38.5511     494 -38.1917     495 -38.6795
     496 -38.3661     497 -38.4668     498 -38.1155     499 -38.3376     500 -37.8067
     501 -37.9544     502 -37.7561     503 -38.2097     504 -37.6109     505 -38.3342
     506 -41.3139     507 -71.5307     508 -71.4441     509 -71.5563     510 -71.6125
     511 -71.5782     512 -71.3942     513 -71.4957     514 -71.5718     515 -71.4634
     516 -71.4740     517 -71.1111     518 -71.6382     519 -71.2926     520 -71.5244
     521 -71.6953     522 -71.3654     523 -71.4012     524 -71.5188     525 -71.4145
     526 -71.4376     527 -71.4182     528 -71.4648     529 -71.2086     530 -71.6741
     531 -76.6037     532 -76.4527     533 -76.4408     534 -76.7961     535 -76.5516
     536 -76.6801     537 -76.8148     538 -76.7195     539 -77.1803     540 -77.2940
     541 -76.4482     542 -76.8716     543 -76.5595     544 -76.5179     545 -76.8169
     546 -76.5718     547 -76.5514     548 -76.5464     549 -76.6906     550 -76.5162
     551 -76.2872     552 -76.2244     553 -76.5187     554 -76.2899     555 -76.5176
     556 -76.7669     557 -76.6771     558 -76.4580     559 -76.7125     560 -76.6531
     561 -76.6884     562 -76.4494     563 -76.6768     564 -76.4561     565 -76.8812
     566 -76.7827     567 -76.2621     568 -76.7851     569 -76.4091     570 -77.1779
     571 -76.7602     572 -76.4161     573 -76.5065     574 -76.5138     575 -76.3595
     576 -76.1551     577 -76.3721     578 -75.2506     579 -82.3588     580 -82.3649
     581 -82.2404     582 -82.6606     583 -82.3993     584 -82.2523     585 -82.4108
     586 -82.6111     587 -82.7487     588 -82.8177     589 -82.3426     590 -81.3089
     591 -82.8078     592 -82.2664     593 -82.8150     594 -83.0165     595 -82.8799
     596 -82.2649     597 -82.5337     598 -82.4548     599 -82.5203     600 -83.4256
     601 -83.1713     602 -80.3267     603 -83.1646     604 -82.4741     605 -82.8431
     606 -83.4625     607 -83.0529     608 -80.6082     609 -82.5723     610 -82.3788
     611 -82.7481     612 -82.3987     613 -82.3768     614 -81.9384     615 -82.3694
     616 -82.5273     617 -82.4112     618 -82.0112     619 -82.7723     620 -82.9522
     621 -82.3806     622 -82.4766     623 -82.2779     624 -82.8589     625 -82.0763
     626 -82.2856     627 -82.4155     628 -82.7073     629 -81.8341     630 -83.3544
     631 -80.7091     632 -82.9830     633 -82.6103     634 -82.4946     635 -83.1095
     636 -82.6089     637 -81.5469     638 -81.7712     639 -82.0059     640 -82.4408
     641 -82.3394     642 -82.7229     643 -82.2072     644 -82.2080     645 -82.1637
     646 -82.6038     647 -82.5388     648 -82.4436     649 -82.1373     650 -82.1149
 
 
 
 E-fermi :  -1.0037     XC(G=0):  -6.3293     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -30.0673      2.00000
      2     -29.9445      2.00000
      3     -29.8683      2.00000
      4     -29.7432      2.00000
      5     -29.7300      2.00000
      6     -29.7218      2.00000
      7     -29.7047      2.00000
      8     -29.5833      2.00000
      9     -29.5795      2.00000
     10     -29.5617      2.00000
     11     -29.5486      2.00000
     12     -29.5450      2.00000
     13     -29.5171      2.00000
     14     -29.4955      2.00000
     15     -29.4410      2.00000
     16     -29.3405      2.00000
     17     -29.2967      2.00000
     18     -29.2781      2.00000
     19     -29.2628      2.00000
     20     -29.1680      2.00000
     21     -29.1540      2.00000
     22     -28.9680      2.00000
     23     -28.8533      2.00000
     24     -28.6683      2.00000
     25     -27.7077      2.00000
     26     -27.5220      2.00000
     27     -27.4618      2.00000
     28     -27.3099      2.00000
     29     -27.2858      2.00000
     30     -27.2411      2.00000
     31     -27.2391      2.00000
     32     -27.2077      2.00000
     33     -26.9782      2.00000
     34     -26.9739      2.00000
     35     -26.9591      2.00000
     36     -26.8589      2.00000
     37     -26.8341      2.00000
     38     -26.7795      2.00000
     39     -26.7690      2.00000
     40     -26.7542      2.00000
     41     -26.7352      2.00000
     42     -26.7153      2.00000
     43     -26.6588      2.00000
     44     -26.6458      2.00000
     45     -26.6259      2.00000
     46     -26.6009      2.00000
     47     -26.5863      2.00000
     48     -26.5755      2.00000
     49     -26.5697      2.00000
     50     -26.5669      2.00000
     51     -26.5197      2.00000
     52     -26.5053      2.00000
     53     -26.5045      2.00000
     54     -26.4998      2.00000
     55     -26.4486      2.00000
     56     -26.4346      2.00000
     57     -26.4120      2.00000
     58     -26.4003      2.00000
     59     -26.3751      2.00000
     60     -26.3013      2.00000
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     62     -26.2780      2.00000
     63     -26.2698      2.00000
     64     -26.2456      2.00000
     65     -26.1475      2.00000
     66     -26.0452      2.00000
     67     -26.0124      2.00000
     68     -25.2989      2.00000
     69     -25.1567      2.00000
     70     -25.1346      2.00000
     71     -24.5899      2.00000
     72     -23.7351      2.00000
     73     -23.5978      2.00000
     74     -23.1789      2.00000
     75     -23.1349      2.00000
     76     -23.0463      2.00000
     77     -23.0136      2.00000
     78     -22.9651      2.00000
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     80     -22.8284      2.00000
     81     -22.7811      2.00000
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     84     -22.5196      2.00000
     85     -22.4978      2.00000
     86     -22.4627      2.00000
     87     -22.4086      2.00000
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     89     -22.3577      2.00000
     90     -22.3294      2.00000
     91     -22.3156      2.00000
     92     -22.3110      2.00000
     93     -22.3007      2.00000
     94     -22.2933      2.00000
     95     -22.2879      2.00000
     96     -22.1513      2.00000
     97     -22.1447      2.00000
     98     -22.1269      2.00000
     99     -22.1156      2.00000
    100     -22.0751      2.00000
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    102     -22.0567      2.00000
    103     -22.0422      2.00000
    104     -22.0274      2.00000
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    106     -22.0027      2.00000
    107     -21.9764      2.00000
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    109     -21.9688      2.00000
    110     -21.9489      2.00000
    111     -21.9279      2.00000
    112     -21.9221      2.00000
    113     -21.9116      2.00000
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    118     -21.5834      2.00000
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    120     -20.8809      2.00000
    121     -20.3889      2.00000
    122     -20.2794      2.00000
    123     -20.2215      2.00000
    124     -20.1665      2.00000
    125     -20.1299      2.00000
    126     -20.1103      2.00000
    127     -20.0961      2.00000
    128     -20.0757      2.00000
    129     -20.0557      2.00000
    130     -19.9424      2.00000
    131     -19.9418      2.00000
    132     -19.9290      2.00000
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    134     -19.9010      2.00000
    135     -19.8923      2.00000
    136     -19.8660      2.00000
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    138     -19.8023      2.00000
    139     -19.7025      2.00000
    140     -19.6977      2.00000
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    144     -18.9076      2.00000
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    147     -18.7083      2.00000
    148     -18.5880      2.00000
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    150     -18.5283      2.00000
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    152     -18.4750      2.00000
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    182     -17.7082      2.00000
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    185     -17.5887      2.00000
    186     -17.5837      2.00000
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    188     -17.5298      2.00000
    189     -17.5044      2.00000
    190     -17.4832      2.00000
    191     -17.4332      2.00000
    192     -17.3329      2.00000
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    194     -16.9562      2.00000
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    199     -16.7943      2.00000
    200     -16.7027      2.00000
    201     -16.6938      2.00000
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    203     -16.5664      2.00000
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    207     -16.3257      2.00000
    208     -16.2898      2.00000
    209     -16.2739      2.00000
    210     -16.2707      2.00000
    211     -16.2318      2.00000
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   1177      -2.5451      2.00000
   1178      -2.5234      2.00000
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   1180      -2.4950      2.00000
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   1190      -2.3919      2.00000
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   1193      -2.3713      2.00000
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   1196      -2.3355      2.00000
   1197      -2.3255      2.00000
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   1199      -2.3069      2.00000
   1200      -2.2911      2.00000
   1201      -2.2854      2.00000
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   1210      -2.1941      2.00000
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   1212      -2.1450      2.00000
   1213      -2.1415      2.00000
   1214      -2.1318      2.00000
   1215      -2.1207      2.00000
   1216      -2.1051      2.00000
   1217      -2.0910      2.00000
   1218      -2.0812      2.00000
   1219      -2.0667      2.00000
   1220      -2.0461      2.00000
   1221      -2.0424      2.00000
   1222      -2.0280      2.00000
   1223      -2.0131      2.00000
   1224      -1.9871      2.00000
   1225      -1.9755      2.00000
   1226      -1.9451      2.00000
   1227      -1.9052      2.00000
   1228      -1.8519      2.00000
   1229      -1.8416      2.00000
   1230      -1.8222      2.00000
   1231      -1.8077      2.00000
   1232      -1.7371      2.00000
   1233      -1.7237      2.00000
   1234      -1.6456      2.00006
   1235      -1.5263      2.00138
   1236      -1.4685      2.00491
   1237      -1.4015      2.01657
   1238      -1.3873      2.02065
   1239      -1.3614      2.02975
   1240      -1.3527      2.03325
   1241      -1.3230      2.04646
   1242      -1.2841      2.06339
   1243      -1.2575      2.07034
   1244      -1.2438      2.07073
   1245      -1.2081      2.05456
   1246      -1.1934      2.03788
   1247      -1.1706      1.99668
   1248      -1.1262      1.85126
   1249      -1.0970      1.70232
   1250      -0.3924     -0.00014
   1251      -0.3522     -0.00004
   1252      -0.2503     -0.00000
   1253      -0.1503     -0.00000
   1254      -0.0939     -0.00000
   1255      -0.0137     -0.00000
   1256       0.0579     -0.00000
   1257       0.0704     -0.00000
   1258       0.0936     -0.00000
   1259       0.1597     -0.00000
   1260       0.2455     -0.00000
   1261       0.3412     -0.00000
   1262       0.3627     -0.00000
   1263       0.3841     -0.00000
   1264       0.4165     -0.00000
   1265       0.4781     -0.00000
   1266       0.5238     -0.00000
   1267       0.5364     -0.00000
   1268       0.5473     -0.00000
   1269       0.5684     -0.00000
   1270       0.6099     -0.00000
   1271       0.6370     -0.00000
   1272       0.6496     -0.00000
   1273       0.6706     -0.00000
   1274       0.6949     -0.00000
   1275       0.7313     -0.00000
   1276       0.7725     -0.00000
   1277       0.7989     -0.00000
   1278       0.9017     -0.00000
   1279       0.9607     -0.00000
   1280       0.9955     -0.00000
   1281       1.0127     -0.00000
   1282       1.0323     -0.00000
   1283       1.1231     -0.00000
   1284       1.1397     -0.00000
   1285       1.1489     -0.00000
   1286       1.1820     -0.00000
   1287       1.2071     -0.00000
   1288       1.3000     -0.00000
   1289       1.3060     -0.00000
   1290       1.3442     -0.00000
   1291       1.3949     -0.00000
   1292       1.4838     -0.00000
   1293       1.4886     -0.00000
   1294       1.5516     -0.00000
   1295       1.5758     -0.00000
   1296       1.5977     -0.00000
   1297       1.6098     -0.00000
   1298       1.6458     -0.00000
   1299       1.6865     -0.00000
   1300       1.7161     -0.00000
   1301       1.7508     -0.00000
   1302       1.7901     -0.00000
   1303       1.8113     -0.00000
   1304       1.8439     -0.00000
   1305       1.8964     -0.00000
   1306       1.9451     -0.00000
   1307       1.9745     -0.00000
   1308       1.9897     -0.00000
   1309       2.0332     -0.00000
   1310       2.0843     -0.00000
   1311       2.0918     -0.00000
   1312       2.1271     -0.00000
   1313       2.1622     -0.00000
   1314       2.1675     -0.00000
   1315       2.1860     -0.00000
   1316       2.2285     -0.00000
   1317       2.2441     -0.00000
   1318       2.2565     -0.00000
   1319       2.3139     -0.00000
   1320       2.3238     -0.00000
   1321       2.3458     -0.00000
   1322       2.3620     -0.00000
   1323       2.3795     -0.00000
   1324       2.4194     -0.00000
   1325       2.4277     -0.00000
   1326       2.4470     -0.00000
   1327       2.4582     -0.00000
   1328       2.4804     -0.00000
   1329       2.4920     -0.00000
   1330       2.5312     -0.00000
   1331       2.5438     -0.00000
   1332       2.5675     -0.00000
   1333       2.5914     -0.00000
   1334       2.6267     -0.00000
   1335       2.6619     -0.00000
   1336       2.6876     -0.00000
   1337       2.7003     -0.00000
   1338       2.7298     -0.00000
   1339       2.7420     -0.00000
   1340       2.7878     -0.00000
   1341       2.8193     -0.00000
   1342       2.8439     -0.00000
   1343       2.8844     -0.00000
   1344       2.8929     -0.00000
   1345       2.9006     -0.00000
   1346       2.9402     -0.00000
   1347       2.9685     -0.00000
   1348       3.0183     -0.00000
   1349       3.0218     -0.00000
   1350       3.0396     -0.00000
   1351       3.0678     -0.00000
   1352       3.1253     -0.00000
   1353       3.1507     -0.00000
   1354       3.1762     -0.00000
   1355       3.1883     -0.00000
   1356       3.2284     -0.00000
   1357       3.2466     -0.00000
   1358       3.2704     -0.00000
   1359       3.2761     -0.00000
   1360       3.3126     -0.00000
   1361       3.3642     -0.00000
   1362       3.3853     -0.00000
   1363       3.3969     -0.00000
   1364       3.4159     -0.00000
   1365       3.4311     -0.00000
   1366       3.4584     -0.00000
   1367       3.4831     -0.00000
   1368       3.5108     -0.00000
   1369       3.5533     -0.00000
   1370       3.5786     -0.00000
   1371       3.6181     -0.00000
   1372       3.6244     -0.00000
   1373       3.6544     -0.00000
   1374       3.7000     -0.00000
   1375       3.7157     -0.00000
   1376       3.7417     -0.00000
   1377       3.7886     -0.00000
   1378       3.8119     -0.00000
   1379       3.8289     -0.00000
   1380       3.8403     -0.00000
   1381       3.8428     -0.00000
   1382       3.8744     -0.00000
   1383       3.8794     -0.00000
   1384       3.8944     -0.00000
   1385       3.9102     -0.00000
   1386       3.9268     -0.00000
   1387       3.9542     -0.00000
   1388       3.9623     -0.00000
   1389       3.9688     -0.00000
   1390       3.9890     -0.00000
   1391       3.9946     -0.00000
   1392       4.0126     -0.00000
   1393       4.0430     -0.00000
   1394       4.0501     -0.00000
   1395       4.0599     -0.00000
   1396       4.0770     -0.00000
   1397       4.0863     -0.00000
   1398       4.0888     -0.00000
   1399       4.1176     -0.00000
   1400       4.1206     -0.00000
   1401       4.1343     -0.00000
   1402       4.1420     -0.00000
   1403       4.1721     -0.00000
   1404       4.1804     -0.00000
   1405       4.1882     -0.00000
   1406       4.2087     -0.00000
   1407       4.2236     -0.00000
   1408       4.2450     -0.00000
   1409       4.2527     -0.00000
   1410       4.2728     -0.00000
   1411       4.2776     -0.00000
   1412       4.3126     -0.00000
   1413       4.3240      0.00000
   1414       4.3445      0.00000
   1415       4.3449      0.00000
   1416       4.3631      0.00000
   1417       4.3839      0.00000
   1418       4.3849      0.00000
   1419       4.4032      0.00000
   1420       4.4229      0.00000
   1421       4.4285      0.00000
   1422       4.4418      0.00000
   1423       4.4583      0.00000
   1424       4.4724      0.00000
   1425       4.4931      0.00000
   1426       4.5137      0.00000
   1427       4.5295      0.00000
   1428       4.5444      0.00000
   1429       4.5581      0.00000
   1430       4.5721      0.00000
   1431       4.5827      0.00000
   1432       4.6095      0.00000
   1433       4.6202      0.00000
   1434       4.6330      0.00000
   1435       4.6446      0.00000
   1436       4.6587      0.00000
   1437       4.6670      0.00000
   1438       4.6775      0.00000
   1439       4.7180      0.00000
   1440       4.7277      0.00000
   1441       4.7356      0.00000
   1442       4.7583      0.00000
   1443       4.7797      0.00000
   1444       4.7952      0.00000
   1445       4.8339      0.00000
   1446       4.8530      0.00000
   1447       4.8634      0.00000
   1448       4.8685      0.00000
   1449       4.8820      0.00000
   1450       4.9036      0.00000
   1451       4.9247      0.00000
   1452       4.9325      0.00000
   1453       4.9542      0.00000
   1454       4.9641      0.00000
   1455       4.9714      0.00000
   1456       4.9867      0.00000
   1457       4.9887      0.00000
   1458       5.0011      0.00000
   1459       5.0183      0.00000
   1460       5.0396      0.00000
   1461       5.0470      0.00000
   1462       5.0571      0.00000
   1463       5.0633      0.00000
   1464       5.0839      0.00000
   1465       5.0945      0.00000
   1466       5.1077      0.00000
   1467       5.1173      0.00000
   1468       5.1240      0.00000
   1469       5.1400      0.00000
   1470       5.1482      0.00000
   1471       5.1723      0.00000
   1472       5.1840      0.00000
   1473       5.1976      0.00000
   1474       5.1996      0.00000
   1475       5.2146      0.00000
   1476       5.2238      0.00000
   1477       5.2408      0.00000
   1478       5.2566      0.00000
   1479       5.2620      0.00000
   1480       5.2666      0.00000
   1481       5.2795      0.00000
   1482       5.3030      0.00000
   1483       5.3127      0.00000
   1484       5.3246      0.00000
   1485       5.3296      0.00000
   1486       5.3403      0.00000
   1487       5.3598      0.00000
   1488       5.3705      0.00000
   1489       5.3719      0.00000
   1490       5.3849      0.00000
   1491       5.4018      0.00000
   1492       5.4116      0.00000
   1493       5.4212      0.00000
   1494       5.4310      0.00000
   1495       5.4343      0.00000
   1496       5.4580      0.00000
   1497       5.4741      0.00000
   1498       5.4853      0.00000
   1499       5.4932      0.00000
   1500       5.5075      0.00000
   1501       5.5171      0.00000
   1502       5.5262      0.00000
   1503       5.5504      0.00000
   1504       5.5533      0.00000
   1505       5.5672      0.00000
   1506       5.5740      0.00000
   1507       5.5909      0.00000
   1508       5.5980      0.00000
   1509       5.6084      0.00000
   1510       5.6181      0.00000
   1511       5.6352      0.00000
   1512       5.6462      0.00000
   1513       5.6569      0.00000
   1514       5.6738      0.00000
   1515       5.6842      0.00000
   1516       5.6893      0.00000
   1517       5.6970      0.00000
   1518       5.7006      0.00000
   1519       5.7168      0.00000
   1520       5.7284      0.00000
   1521       5.7387      0.00000
   1522       5.7491      0.00000
   1523       5.7644      0.00000
   1524       5.7697      0.00000
   1525       5.7827      0.00000
   1526       5.7931      0.00000
   1527       5.7952      0.00000
   1528       5.8048      0.00000
   1529       5.8143      0.00000
   1530       5.8304      0.00000
   1531       5.8379      0.00000
   1532       5.8546      0.00000
   1533       5.8597      0.00000
   1534       5.8695      0.00000
   1535       5.8799      0.00000
   1536       5.8825      0.00000
   1537       5.8979      0.00000
   1538       5.9019      0.00000
   1539       5.9087      0.00000
   1540       5.9234      0.00000
   1541       5.9342      0.00000
   1542       5.9440      0.00000
   1543       5.9453      0.00000
   1544       5.9519      0.00000
   1545       5.9602      0.00000
   1546       5.9664      0.00000
   1547       5.9731      0.00000
   1548       5.9822      0.00000
   1549       5.9867      0.00000
   1550       6.0004      0.00000
   1551       6.0032      0.00000
   1552       6.0259      0.00000
   1553       6.0285      0.00000
   1554       6.0351      0.00000
   1555       6.0364      0.00000
   1556       6.0528      0.00000
   1557       6.0610      0.00000
   1558       6.0682      0.00000
   1559       6.0737      0.00000
   1560       6.0905      0.00000
   1561       6.0969      0.00000
   1562       6.1026      0.00000
   1563       6.1141      0.00000
   1564       6.1279      0.00000
   1565       6.1340      0.00000
   1566       6.1413      0.00000
   1567       6.1503      0.00000
   1568       6.1666      0.00000
   1569       6.1795      0.00000
   1570       6.1835      0.00000
   1571       6.1921      0.00000
   1572       6.2037      0.00000
   1573       6.2060      0.00000
   1574       6.2122      0.00000
   1575       6.2341      0.00000
   1576       6.2394      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.091  13.417  -0.001   0.001  -0.000   0.004  -0.003   0.001
 13.417  17.838  -0.002   0.001  -0.000   0.005  -0.004   0.001
 -0.001  -0.002  -4.237   0.002  -0.001   8.287  -0.004   0.001
  0.001   0.001   0.002  -4.235   0.001  -0.004   8.283  -0.001
 -0.000  -0.000  -0.001   0.001  -4.228   0.001  -0.001   8.273
  0.004   0.005   8.287  -0.004   0.001 -18.336   0.006  -0.002
 -0.003  -0.004  -0.004   8.283  -0.001   0.006 -18.328   0.001
  0.001   0.001   0.001  -0.001   8.273  -0.002   0.001 -18.320
 total augmentation occupancy for first ion, spin component:           1
  8.542  -3.862   0.070   0.103  -0.021   0.006   0.020  -0.005
 -3.862   1.817  -0.030  -0.076   0.010  -0.001  -0.013   0.003
  0.070  -0.030   1.824  -0.052   0.016   0.176  -0.010   0.003
  0.103  -0.076  -0.052   1.863  -0.095  -0.010   0.174  -0.014
 -0.021   0.010   0.016  -0.095   1.249   0.003  -0.014   0.081
  0.006  -0.001   0.176  -0.010   0.003   0.019  -0.001   0.000
  0.020  -0.013  -0.010   0.174  -0.014  -0.001   0.018  -0.002
 -0.005   0.003   0.003  -0.014   0.081   0.000  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -60147.73288123354.13380 47313.61591-13039.21784  5217.94669 33018.20336
  Hartree -5228.71239150755.02474 85499.38803-13523.97880  3118.49521 27560.45574
  E(xc)  -10742.20361-10614.16667-10651.52300     2.70083     8.34195    27.16842
  Local   32038.34602************************ 26572.55453 -8344.85538-60059.56019
  n-local -5867.31675 -5934.58846 -6016.75302     9.53011    17.76759   -44.43909
  augment  1488.32361  1532.98409  1482.86894     3.43171    13.65316    -3.42646
  Kinetic 45786.12885 43168.71434 43921.58429   -68.33250  -128.07788  -549.49158
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      234.6915622   -497.4349434     41.6829518    -43.3119419    -96.7286631    -51.0898072
  in kB       39.1366966    -82.9512585      6.9509659     -7.2226130    -16.1302788     -8.5196343
  external PRESSURE =     -12.2878653 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.339E+03 -.131E+03 0.249E+03   0.339E+03 0.133E+03 -.250E+03   0.183E+00 -.481E+00 0.161E+01   0.855E-04 -.130E-03 0.470E-04
   -.307E+03 -.155E+03 0.388E+02   0.307E+03 0.157E+03 -.388E+02   0.876E-01 -.553E+00 -.340E+00   0.923E-04 -.623E-04 0.985E-04
   -.258E+03 -.140E+03 -.705E+00   0.258E+03 0.141E+03 0.261E+01   0.139E+00 -.158E+01 -.198E+01   0.701E-04 0.516E-05 0.147E-03
   -.304E+03 -.120E+03 0.358E+03   0.304E+03 0.120E+03 -.361E+03   0.141E+00 0.281E+00 0.191E+01   0.113E-03 -.107E-03 0.944E-04
   -.253E+03 -.157E+03 0.325E+03   0.253E+03 0.157E+03 -.326E+03   -.490E-03 -.116E+01 0.122E+01   0.172E-03 0.529E-04 0.916E-04
   -.216E+03 -.131E+03 0.173E+03   0.216E+03 0.130E+03 -.173E+03   0.536E+00 -.135E+00 0.402E+00   0.103E-03 0.492E-04 0.951E-04
   -.367E+03 -.127E+03 0.174E+03   0.368E+03 0.128E+03 -.175E+03   0.358E+00 -.490E+01 0.426E+00   0.998E-04 -.857E-04 0.285E-04
   -.287E+03 -.104E+03 -.169E+02   0.288E+03 0.107E+03 0.175E+02   -.323E+00 -.396E+01 0.206E+01   0.136E-03 -.282E-04 -.196E-04
   -.157E+03 0.133E+01 0.206E+03   0.157E+03 -.124E+01 -.206E+03   -.166E-01 0.140E+00 0.419E+00   0.134E-03 0.351E-04 0.106E-04
   -.144E+03 0.929E+02 0.792E+02   0.144E+03 -.940E+02 -.779E+02   0.348E+00 0.162E+01 -.110E+01   0.557E-04 -.435E-04 0.909E-04
   -.162E+03 0.148E+03 0.148E+03   0.162E+03 -.150E+03 -.149E+03   0.917E+00 0.624E+00 0.326E-01   0.105E-03 0.209E-04 0.318E-04
   -.167E+03 0.160E+01 0.347E+03   0.167E+03 -.121E+01 -.348E+03   -.181E+00 0.793E+00 0.169E+01   0.341E-03 0.169E-03 -.180E-03
   -.171E+03 -.134E+02 0.381E+03   0.171E+03 0.138E+02 -.384E+03   -.281E+00 -.934E+00 0.205E+01   0.484E-03 0.317E-03 -.408E-03
   -.191E+03 0.675E+02 0.329E+03   0.191E+03 -.692E+02 -.330E+03   -.249E+00 0.586E+00 0.145E+01   0.299E-03 0.156E-03 -.244E-03
   -.185E+03 0.113E+03 0.295E+03   0.186E+03 -.113E+03 -.297E+03   0.161E+01 0.522E+01 0.174E+01   0.271E-03 -.215E-04 -.256E-03
   -.203E+03 0.165E+03 0.765E+02   0.203E+03 -.168E+03 -.763E+02   0.432E+00 0.333E+01 0.345E+01   0.656E-04 -.342E-04 0.550E-04
   -.195E+03 0.130E+03 0.444E+02   0.196E+03 -.125E+03 -.404E+02   -.134E+00 -.471E+01 -.437E+01   0.101E-03 0.348E-04 0.291E-04
   -.111E+03 0.228E+03 -.192E+03   0.111E+03 -.230E+03 0.195E+03   0.114E+01 0.157E+01 -.172E+01   0.277E-04 -.509E-04 0.169E-03
   -.830E+02 0.173E+03 -.212E+03   0.829E+02 -.174E+03 0.215E+03   0.201E+00 -.206E+00 -.313E+01   0.540E-04 0.537E-06 0.208E-03
   -.183E+03 0.142E+03 0.183E+03   0.185E+03 -.142E+03 -.186E+03   -.888E+00 -.107E+01 0.292E+01   0.186E-03 0.538E-04 -.107E-03
   -.125E+03 0.115E+03 -.143E+01   0.124E+03 -.118E+03 0.236E+01   0.143E+01 0.175E+01 -.147E+01   0.176E-03 0.168E-03 0.112E-04
   -.967E+02 0.498E+02 -.166E+03   0.969E+02 -.498E+02 0.167E+03   0.452E+00 -.734E-01 -.440E+00   0.112E-03 0.116E-03 0.141E-03
   -.107E+03 -.283E+02 -.227E+03   0.108E+03 0.286E+02 0.227E+03   0.811E-02 -.648E+00 0.535E+00   0.148E-03 0.781E-04 0.496E-04
   -.663E+02 -.875E+02 -.312E+03   0.673E+02 0.896E+02 0.312E+03   -.958E+00 -.207E+01 0.105E+01   0.148E-03 -.409E-04 -.215E-04
   -.364E+02 -.155E+03 -.411E+03   0.361E+02 0.155E+03 0.413E+03   0.245E+00 -.561E+00 -.138E+01   0.163E-03 -.865E-04 -.430E-04
   -.171E+03 -.174E+03 -.218E+03   0.172E+03 0.174E+03 0.215E+03   -.875E+00 -.362E+00 0.330E+01   0.196E-03 0.571E-04 -.723E-04
   -.132E+03 -.316E+03 -.243E+03   0.132E+03 0.317E+03 0.243E+03   -.152E+00 -.122E+01 0.863E+00   0.231E-03 -.294E-04 -.147E-03
   -.688E+02 -.267E+03 -.352E+03   0.691E+02 0.268E+03 0.352E+03   -.161E+00 -.980E+00 -.235E+00   0.201E-03 -.103E-03 -.979E-04
   -.722E+02 -.168E+02 -.283E+03   0.779E+02 0.260E+02 0.279E+03   -.557E+01 -.901E+01 0.447E+01   0.282E-03 -.953E-04 -.187E-03
   -.123E+03 0.111E+03 0.214E+02   0.120E+03 -.121E+03 -.181E+02   0.389E+01 0.108E+02 -.466E+01   0.196E-03 0.177E-03 0.125E-03
   -.161E+03 -.533E+02 -.646E+02   0.161E+03 0.543E+02 0.663E+02   -.232E-01 -.133E+00 -.187E+01   -.131E-03 0.306E-04 -.178E-04
   -.105E+03 -.166E+03 0.925E+02   0.105E+03 0.167E+03 -.914E+02   0.179E+00 -.128E+01 -.319E+00   -.841E-04 0.141E-04 0.143E-04
   -.143E+03 -.151E+03 0.138E+03   0.143E+03 0.153E+03 -.139E+03   -.257E-01 -.171E+01 0.695E+00   -.600E-04 0.546E-04 0.177E-04
   -.293E+03 0.626E+00 -.156E+03   0.293E+03 -.223E+01 0.159E+03   0.780E+00 0.174E+01 -.241E+01   -.198E-03 0.578E-04 -.314E-04
   -.297E+03 -.641E+02 -.187E+03   0.297E+03 0.637E+02 0.188E+03   0.387E+00 -.396E+00 -.184E+01   -.135E-03 0.896E-04 0.352E-04
   -.223E+03 -.594E+02 -.280E+02   0.222E+03 0.593E+02 0.280E+02   0.314E+00 -.730E-01 -.587E+00   -.683E-04 0.638E-04 0.335E-04
   -.627E+02 -.699E+02 -.230E+02   0.622E+02 0.725E+02 0.253E+02   -.801E-01 -.482E+01 -.255E+01   -.977E-04 0.443E-04 -.477E-04
   -.256E+02 -.162E+03 0.108E+03   0.245E+02 0.165E+03 -.108E+03   0.306E+00 -.320E+01 -.398E+01   -.797E-04 -.426E-04 0.107E-03
   -.188E+03 0.597E+02 -.429E+02   0.188E+03 -.594E+02 0.430E+02   -.132E+00 0.225E+00 -.495E+00   -.610E-04 0.157E-04 0.526E-04
   -.750E+02 0.863E+02 0.153E+03   0.751E+02 -.873E+02 -.155E+03   -.552E+00 0.122E+01 0.154E+01   -.576E-04 -.260E-04 0.327E-04
   0.327E+01 0.934E+02 0.920E+02   -.405E+01 -.946E+02 -.926E+02   0.322E+00 0.723E+00 0.183E+00   -.610E-04 -.129E-04 0.622E-04
   -.213E+03 0.820E+02 -.250E+03   0.213E+03 -.821E+02 0.251E+03   0.224E+00 0.133E+01 -.118E+01   -.635E-04 -.616E-05 0.885E-04
   -.158E+03 0.513E+02 -.320E+03   0.158E+03 -.521E+02 0.322E+03   0.210E-01 -.182E+00 -.194E+01   -.330E-04 -.572E-06 0.985E-04
   -.559E+02 0.780E+02 -.184E+03   0.556E+02 -.800E+02 0.184E+03   -.116E+00 0.134E+01 -.148E+01   -.429E-04 -.857E-06 0.901E-04
   -.898E+01 0.108E+03 -.123E+03   0.798E+01 -.111E+03 0.124E+03   0.239E+00 0.566E+01 -.256E+00   -.401E-04 0.476E-05 0.908E-04
   0.590E+02 0.933E+02 0.124E+03   -.613E+02 -.970E+02 -.121E+03   -.866E-01 0.381E+01 -.170E+01   -.340E-04 -.262E-04 0.128E-03
   0.937E+02 0.686E+02 0.101E+03   -.930E+02 -.626E+02 -.103E+03   -.163E+01 -.547E+01 0.201E+01   -.347E-04 0.646E-06 0.969E-04
   0.347E+02 0.158E+03 0.300E+03   -.344E+02 -.159E+03 -.302E+03   -.907E+00 0.106E+01 0.290E+01   0.953E-04 -.580E-05 -.532E-04
   -.160E+02 0.167E+03 0.241E+03   0.173E+02 -.166E+03 -.244E+03   -.247E+01 -.815E+00 0.328E+01   0.150E-03 0.338E-04 -.804E-04
   0.106E+03 0.911E+02 -.770E+02   -.107E+03 -.915E+02 0.806E+02   -.567E-01 0.327E+00 -.312E+01   -.313E-04 -.211E-04 0.147E-03
   0.750E+02 0.661E+02 -.128E+02   -.748E+02 -.678E+02 0.109E+02   -.719E+00 0.134E+01 0.231E+01   0.408E-04 0.683E-04 0.912E-04
   0.499E+02 0.550E+02 0.106E+03   -.500E+02 -.544E+02 -.108E+03   0.154E+00 -.361E+00 0.109E+01   0.808E-04 0.490E-04 0.333E-04
   -.106E+03 -.337E+02 0.442E+02   0.106E+03 0.337E+02 -.438E+02   0.915E+00 -.616E-01 -.613E+00   0.116E-03 -.101E-04 -.290E-05
   -.317E+03 -.627E+02 0.142E+03   0.318E+03 0.646E+02 -.140E+03   -.156E+01 -.166E+01 -.284E+01   0.156E-03 -.977E-05 -.101E-03
   -.355E+03 -.102E+03 0.194E+03   0.355E+03 0.103E+03 -.197E+03   0.482E+00 -.598E+00 0.303E+01   0.147E-03 -.296E-04 -.149E-03
   -.114E+03 -.183E+03 -.120E+03   0.114E+03 0.183E+03 0.122E+03   0.673E+00 0.108E+01 -.310E+01   0.115E-03 -.491E-04 0.928E-04
   -.168E+03 -.175E+03 -.189E+03   0.168E+03 0.176E+03 0.192E+03   0.707E+00 -.894E+00 -.265E+01   0.133E-03 0.861E-05 0.910E-05
   -.272E+03 -.792E+02 0.178E+02   0.271E+03 0.726E+02 -.157E+02   0.113E+01 0.579E+01 -.233E+01   0.123E-03 -.281E-04 -.315E-04
   -.248E+03 0.181E+02 0.185E+03   0.244E+03 -.126E+02 -.176E+03   0.464E+01 -.674E+01 -.941E+01   0.172E-03 -.538E-04 -.122E-03
   -.191E+02 0.187E+02 -.797E+02   0.223E+02 -.265E+02 0.714E+02   -.335E+01 0.756E+01 0.846E+01   0.136E-03 0.123E-03 -.526E-04
   -.489E+03 -.858E+02 0.864E+02   0.490E+03 0.865E+02 -.878E+02   0.129E+00 0.427E-01 0.173E+01   -.104E-03 0.402E-04 -.597E-04
   -.470E+03 -.122E+03 -.852E+02   0.472E+03 0.124E+03 0.846E+02   0.628E+00 -.855E+00 0.201E+00   -.117E-03 0.175E-04 -.116E-03
   -.418E+03 -.111E+03 -.117E+03   0.419E+03 0.112E+03 0.119E+03   -.436E+00 -.129E+01 -.185E+01   0.477E-04 0.103E-03 -.136E-03
   -.398E+03 -.854E+02 0.180E+03   0.398E+03 0.853E+02 -.182E+03   0.561E+00 0.226E+00 0.200E+01   0.966E-04 0.844E-04 -.803E-05
   -.328E+03 -.127E+03 0.141E+03   0.328E+03 0.127E+03 -.142E+03   -.828E-01 -.934E+00 0.130E+01   0.245E-03 0.116E-04 -.840E-05
   -.327E+03 -.995E+02 0.219E+02   0.327E+03 0.992E+02 -.222E+02   0.388E+00 -.891E+00 0.548E+00   0.207E-03 0.279E-04 -.255E-04
   -.525E+03 -.103E+03 -.134E+02   0.527E+03 0.109E+03 0.163E+02   -.451E+00 -.408E+01 0.177E+00   -.322E-03 0.209E-04 -.495E-04
   -.486E+03 -.732E+02 -.828E+02   0.487E+03 0.756E+02 0.819E+02   -.820E+00 -.403E+01 0.291E+01   -.264E-03 -.509E-04 -.147E-03
   -.265E+03 0.256E+02 0.442E+02   0.265E+03 -.252E+02 -.441E+02   0.418E-01 -.106E+00 0.421E+00   0.290E-03 0.248E-04 0.493E-04
   -.305E+03 0.113E+03 -.413E+02   0.305E+03 -.115E+03 0.426E+02   0.184E+00 0.177E+01 -.121E+01   0.315E-03 0.100E-03 0.939E-04
   -.321E+03 0.152E+03 0.261E+02   0.321E+03 -.153E+03 -.266E+02   0.377E+00 0.101E+01 -.100E+00   0.415E-03 0.594E-04 0.148E-03
   -.223E+03 0.296E+02 0.143E+03   0.224E+03 -.291E+02 -.144E+03   -.264E+00 0.638E+00 0.165E+01   0.345E-03 -.280E-04 0.404E-04
   -.232E+03 -.583E+01 0.158E+03   0.233E+03 0.654E+01 -.161E+03   -.299E+00 -.102E+01 0.210E+01   0.335E-03 -.398E-04 0.125E-03
   -.304E+03 0.628E+02 0.149E+03   0.304E+03 -.643E+02 -.151E+03   -.171E+00 0.528E+00 0.144E+01   0.372E-03 0.750E-05 0.213E-03
   -.328E+03 0.896E+02 0.128E+03   0.329E+03 -.915E+02 -.129E+03   0.655E+00 0.528E+01 0.145E+01   0.311E-03 -.506E-04 0.279E-03
   -.359E+03 0.156E+03 0.600E+02   0.359E+03 -.159E+03 -.601E+02   -.227E-01 0.330E+01 0.342E+01   0.464E-03 0.887E-04 0.564E-04
   -.350E+03 0.111E+03 0.107E+03   0.350E+03 -.107E+03 -.102E+03   0.373E+00 -.426E+01 -.440E+01   0.331E-03 -.617E-05 0.232E-04
   -.208E+03 0.230E+03 0.401E+02   0.208E+03 -.231E+03 -.376E+02   0.380E+00 0.181E+01 -.259E+01   0.194E-03 -.193E-04 -.375E-04
   -.113E+03 0.137E+03 0.100E+03   0.113E+03 -.139E+03 -.974E+02   0.466E+00 0.198E+00 -.389E+01   0.342E-04 0.276E-04 -.246E-04
   -.393E+03 0.107E+03 0.200E+03   0.394E+03 -.106E+03 -.202E+03   -.596E+00 -.108E+01 0.232E+01   0.184E-03 -.884E-04 0.174E-04
   -.332E+03 0.980E+02 0.118E+03   0.332E+03 -.100E+03 -.117E+03   0.149E+01 0.173E+01 -.200E+01   0.289E-04 -.825E-04 0.321E-04
   -.206E+03 0.341E+02 0.954E+02   0.206E+03 -.341E+02 -.941E+02   0.302E+00 0.507E+00 -.531E+00   0.505E-05 -.448E-04 -.214E-04
   -.172E+03 -.526E+00 0.117E+03   0.172E+03 0.507E+00 -.119E+03   -.470E+00 -.266E+00 0.119E+01   -.299E-04 -.660E-04 -.101E-03
   -.195E+02 -.665E+02 0.690E+02   0.201E+02 0.691E+02 -.709E+02   -.173E+01 -.260E+01 0.227E+01   -.589E-04 -.632E-04 -.649E-04
   0.345E+02 -.731E+02 -.495E+02   -.358E+02 0.726E+02 0.536E+02   0.379E+00 0.118E+01 -.287E+01   -.683E-04 -.180E-04 -.307E-05
   -.266E+03 -.135E+03 0.143E+03   0.267E+03 0.136E+03 -.146E+03   -.193E+01 -.136E+00 0.364E+01   -.591E-04 -.950E-04 -.614E-04
   -.113E+03 -.246E+03 0.191E+03   0.113E+03 0.248E+03 -.194E+03   0.223E+00 -.156E+01 0.267E+01   -.759E-04 -.771E-04 -.353E-04
   0.591E+01 -.108E+03 0.913E+02   -.622E+01 0.103E+03 -.962E+02   -.392E+00 0.439E+01 0.416E+01   -.775E-04 -.709E-04 -.427E-04
   0.666E+02 -.870E+02 0.551E+02   -.633E+02 0.966E+02 -.601E+02   -.188E+01 -.119E+02 0.504E+01   -.219E-04 -.348E-04 -.105E-03
   -.394E+03 0.115E+03 0.855E+02   0.393E+03 -.125E+03 -.802E+02   0.215E+01 0.113E+02 -.504E+01   -.346E-03 -.199E-03 0.207E-03
   -.164E+03 -.636E+02 -.129E+03   0.164E+03 0.646E+02 0.131E+03   -.371E-01 0.113E-01 -.217E+01   -.140E-03 -.916E-04 -.685E-04
   -.137E+03 -.190E+03 0.253E+02   0.136E+03 0.192E+03 -.246E+02   0.405E+00 -.929E+00 0.917E-01   -.817E-04 -.606E-04 -.458E-04
   -.163E+03 -.174E+03 0.793E+02   0.163E+03 0.175E+03 -.803E+02   -.301E+00 -.201E+01 0.751E+00   -.793E-04 0.403E-04 0.267E-04
   -.256E+03 0.101E+02 -.209E+03   0.256E+03 -.107E+02 0.212E+03   0.112E+00 0.131E+01 -.214E+01   -.194E-03 0.607E-05 -.544E-05
   -.256E+03 -.523E+02 -.171E+03   0.255E+03 0.517E+02 0.172E+03   0.445E+00 -.572E+00 -.174E+01   -.176E-03 0.533E-04 0.806E-05
   -.210E+03 -.814E+02 -.244E+02   0.210E+03 0.811E+02 0.244E+02   0.932E-01 0.785E-01 -.535E+00   -.123E-03 0.615E-04 0.685E-05
   -.873E+02 -.723E+02 -.104E+03   0.864E+02 0.741E+02 0.107E+03   -.485E+00 -.463E+01 -.290E+01   -.817E-04 -.700E-04 -.999E-04
   -.104E+03 -.167E+03 0.174E+02   0.102E+03 0.170E+03 -.157E+02   -.611E+00 -.264E+01 -.389E+01   -.595E-04 -.146E-03 0.270E-04
   -.159E+03 0.405E+02 0.309E+02   0.159E+03 -.403E+02 -.306E+02   -.194E+00 0.540E+00 -.491E+00   -.869E-04 0.462E-04 0.106E-04
   -.648E+02 0.565E+02 0.164E+03   0.648E+02 -.573E+02 -.166E+03   -.460E+00 0.119E+01 0.179E+01   -.284E-04 0.786E-04 -.228E-04
   0.163E+02 0.831E+02 0.141E+03   -.172E+02 -.849E+02 -.141E+03   0.167E+00 0.927E+00 0.931E-01   -.262E-04 0.113E-03 0.114E-04
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 -----------------------------------------------------------------------------------------------
   -.152E+02 0.936E+02 -.111E+02   0.432E-11 0.222E-11 0.284E-11   0.153E+02 -.936E+02 0.111E+02   -.789E-02 -.393E-02 0.958E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.63846      3.12843      1.39601         0.563052      0.891203      0.580595
     12.45206      3.56555      2.72272         1.008428      1.280878     -0.411732
     12.48550      4.98911      3.01175         0.579093     -0.710373     -0.079214
     12.80317      4.06672      0.37662         0.392805      0.693867     -0.659505
     12.85337      5.45937      0.66556        -0.018235     -1.251775      0.193477
     12.69678      5.96211      1.97884         0.305032     -0.508660      0.302007
     12.61725      1.68356      1.33734         1.480080     -3.138154     -1.447803
     12.21518      2.37908      3.57470         0.491359     -1.163114      2.630859
     12.82171      7.45379      2.20465         0.125357      0.230068      0.356390
     12.70563      8.07892      3.48490         0.417546      0.455411      0.223342
     12.93949      9.48337      3.66622         0.671194     -0.882636     -0.461449
     13.13477      8.30697      1.11435         0.096554      1.187958      0.745965
     13.32815      9.70911      1.28603         0.049665     -0.469494     -0.593124
     13.25068     10.28823      2.55939        -0.117436     -1.070425     -0.164388
     13.39703     11.67045      2.96637         2.362323      4.554931     -0.363363
     12.96152     10.31548      4.90007         0.989670      0.020895      3.676618
     13.40209     12.85096      5.35321         1.306067      0.315138     -0.336586
     13.07834     12.77074      6.68729         0.861567      0.134233      1.061972
     13.20459     13.90468      7.48765         0.135237     -1.101727     -0.642023
     13.73387     14.16182      4.87865         0.885435     -0.627128     -0.331959
     13.79961     15.28916      5.71232         0.613014     -1.042209     -0.542571
     13.52508     15.19433      7.07981         0.612902     -0.137124      1.009940
     13.62411     16.30684      8.07208         0.430911     -0.372015     -0.284876
     13.19406     16.19789      9.40298         0.055611      0.057211      0.388530
     13.35028     17.25794     10.29137        -0.004524      0.248901      0.623832
     14.16229     17.55026      7.73367         0.542878      0.437175      0.750171
     14.30394     18.63791      8.57428         0.003266     -0.466256      0.699515
     13.90948     18.47277      9.89192         0.091870     -0.023264      0.057988
     12.55406     14.96231      9.92171         0.069063      0.177681      0.355049
     14.24854     16.54957      5.12902         0.490859      1.253166     -1.408029
      9.72884      3.80240      4.81029        -0.122537      0.859003     -0.217464
      9.96117      4.74895      3.80110        -0.508886      0.334372      0.760964
     10.06009      6.11451      4.15630        -0.255888      0.168627     -0.179582
      9.56953      4.20626      6.12633        -0.017460      0.133155      1.021473
      9.67420      5.56441      6.49051         0.094506     -0.877930     -0.693800
      9.95478      6.54966      5.51697        -0.054268     -0.178593     -0.559782
      9.65731      2.45454      4.28030        -0.627308     -2.202688     -0.259500
     10.11770      4.05682      2.50502        -0.808143      0.082052     -3.542190
     10.11066      7.97965      5.91606        -0.212941      0.578250     -0.371427
     10.42283      8.98093      4.94896        -0.502983      0.282780     -0.384981
     10.51366     10.34132      5.28977        -0.459360     -0.456520     -0.408766
      9.91428      8.41438      7.24463         0.170964      1.203288     -0.102184
     10.04457      9.79614      7.59887        -0.276046     -0.988196      0.315720
     10.34167     10.74096      6.62113        -0.433785     -0.705575     -0.607349
     10.52111     12.16417      6.71409        -0.763210      3.106366      1.315128
     10.96840     11.54034      4.43500        -2.436670      0.143815      0.534122
     11.13923     14.04083      4.97008        -0.943851      0.555485     -0.041541
     11.57590     14.39770      3.68397        -0.669647      0.218364      0.001339
     11.87096     15.72963      3.40398        -1.113947     -0.595696      0.444634
     11.05671     15.11147      5.89662        -0.951913     -0.077316      0.456201
     11.24605     16.46937      5.54190        -0.477517     -0.436155      0.493513
     11.62696     16.82740      4.23283         0.040389      0.158167     -0.183041
     11.97592     18.22663      3.81272         0.516071     -0.025511     -0.225311
     12.48035     18.59582      2.54051        -0.406206      0.291382     -0.300494
     12.48366     19.96852      2.17123         1.071766      0.045778     -0.219785
     11.84453     19.30245      4.68754         0.338372      1.164786     -0.894913
     11.96376     20.65625      4.39151         0.375873     -0.025883      0.242133
     12.26612     21.04888      3.08955         0.938523     -0.787848     -0.201973
     12.66962     17.53994      1.40688         0.410337     -1.248167     -0.441221
     11.01257     17.50802      6.63692        -0.162469     -0.153357      0.143389
      9.88962      7.13417     14.56055         0.973501      0.687046      0.274548
      9.71070      7.59702     15.87994         1.937374      0.828848     -0.458466
      9.82788      9.00144     16.17520         0.639797     -0.037314      0.155418
     10.04622      8.08748     13.53070         0.728591      0.156159     -0.122010
     10.14327      9.48951     13.82722        -0.027909     -0.935281      0.414050
     10.02732     10.00088     15.15534         0.460760     -1.148566      0.296099
      9.72308      5.66181     14.51529         1.551564      1.476361      3.000577
      9.48086      6.44347     16.76449         0.701028     -1.567433      2.032811
     10.15421     11.47442     15.45570         0.319584      0.307290      0.524161
     10.06547     12.03786     16.77564         0.494077      0.399631      0.044724
     10.22735     13.44779     17.01902         0.605912     -0.581633     -0.572378
     10.43624     12.38145     14.40181         0.104639      1.116107      0.673459
     10.59142     13.77357     14.63696         0.126764     -0.309565     -0.648100
     10.46732     14.30206     15.93115         0.139218     -0.959588     -0.076902
     10.50917     15.70012     16.34299         1.526446      3.332924      0.017108
     10.13383     14.25957     18.27861         0.567602      0.244889      3.256578
     10.34375     16.87889     18.74245         0.832416      0.308783     -0.028585
     10.09516     16.80854     20.10451         0.229644      0.154289     -0.127124
     10.02195     17.98701     20.83857        -0.235532     -1.057920     -0.820226
     10.51946     18.22848     18.26011         0.896689     -0.672429     -0.596381
     10.47745     19.38468     19.05512         0.999298     -0.778186     -0.910087
     10.23861     19.29451     20.42963         0.204180      0.452300      0.693625
     10.24671     20.43975      0.13217        -0.214518     -0.285627     -0.476115
      9.87546     20.36325      1.48974        -1.171053     -0.017857      0.364312
      9.84124      0.17606      2.33338        -0.914320      0.653007      1.253413
     10.56191      0.48439     21.03392        -0.408191      0.936589      0.863063
     10.35750      1.63980      0.54755        -0.300708      0.018951      0.070696
     10.02604      1.50553      1.89515        -0.699385      0.068335     -0.756942
      9.49224     19.11171      2.13460         1.424777     -2.339262      0.028545
     10.75574     20.67936     18.39991         1.192759      0.548887      0.176716
      7.17049      7.56201     17.54629        -0.490262      1.051988     -0.445087
      7.40879      8.50614     16.54223        -0.763177      0.939833      0.733088
      7.53741      9.89936     16.89059        -0.727077     -0.511369     -0.175271
      7.06695      7.97409     18.87632        -0.133108      0.632691      0.785684
      7.10911      9.35238     19.20815         0.119930     -1.132031     -0.729667
      7.36070     10.35450     18.23018        -0.282926     -0.229387     -0.572308
      7.06165      6.22337     16.96000        -1.348349     -2.881847      0.120977
      7.57799      7.79539     15.22304        -2.466570      0.523111     -2.186142
      7.37862     11.80724     18.62998        -0.195062      0.771720     -0.175041
      7.66629     12.89129     17.72891        -0.515889      0.380550     -0.117722
      7.65511     14.25857     18.13915        -0.748506     -0.859107     -0.045249
      7.05213     12.18773     19.95051         0.347660      1.183481     -0.373337
      7.02784     13.56000     20.35066        -0.043827     -0.717603      0.582938
      7.32474     14.58096     19.46297        -0.154332     -0.577817     -0.614809
      7.38360     16.02350     19.65384        -0.758871      2.765965      1.700576
      8.02358     15.51490     17.42639        -1.219601      0.770548     -1.304335
      7.95524     18.03627     18.07397        -1.073927      0.401307      0.240497
      8.53142     18.44119     16.87658        -0.192832      0.808881     -0.346821
      8.81210     19.81070     16.66604        -1.403835     -1.210242     -0.140903
      7.65625     19.08835     18.99074        -0.799033      0.055630      0.019791
      7.79607     20.46740     18.66417        -0.766755     -0.769894      0.129896
      8.28675     20.88057     17.40782         0.214142      0.286816      0.049686
      8.62366      1.06487     17.03979        -0.306752      0.030445     -0.390339
      8.97925      1.42908     15.72915         0.091858      0.280867     -0.077051
      9.20515      2.78954     15.38612         0.879324     -0.208683     -0.585674
      8.65295      2.15516     17.95490        -0.119464      1.280989     -1.028384
      8.86251      3.51122     17.63003         0.411276     -1.025065     -0.028319
      9.17061      3.86803     16.29723         0.797586     -0.726127      0.488646
      9.14634      0.42760     14.60842        -1.155488     -1.227761      1.531107
      7.39819      0.23593     19.71199        -0.987123     -0.387582      0.013642
      7.04242     10.81532      6.12614        -0.049882      0.723950      0.105713
      6.84524     11.29242      7.42539         0.119201      1.040724     -0.327058
      6.96827     12.68336      7.70040        -0.058977     -0.269325      0.042633
      7.38394     11.70055      5.09954         0.090527      0.548612     -0.471680
      7.52229     13.09415      5.37028        -0.320773     -1.152350      0.404476
      7.30172     13.62548      6.66789        -0.154588     -0.448058      0.264610
      6.86714      9.36116      6.10558         0.039610     -2.265890     -1.108404
      6.53247     10.13692      8.29945        -0.423478     -0.843592      2.653994
      7.41744     15.11307      6.90113        -0.179540      0.288509      0.466066
      7.12282     15.75063      8.15378         0.020609      0.269736      0.079983
      7.23746     17.16626      8.31436         0.201318     -0.932183     -0.744166
      7.80960     15.96002      5.83405        -0.271842      1.140028      0.678720
      7.89482     17.37072      5.99965        -0.243826     -0.457985     -0.621623
      7.64069     17.96659      7.24489        -0.338858     -0.591123     -0.391734
      7.74496     19.37257      7.66938         0.496585      2.954925     -0.436917
      7.04265     18.03780      9.47502        -0.476578      0.316582      3.454520
      7.33738     20.61254      9.94732         0.812161      0.329615     -0.173469
      6.89436     20.56790     11.26033         0.673199      0.585509      0.234214
      6.78225      0.49128     11.99076         0.772309     -1.237766     -0.970737
      7.72428      0.66205      9.54229         0.527700     -0.347219     -0.517125
      7.70827      1.80213     10.38244         0.858546     -0.828471     -0.630407
      7.26020      1.76256     11.69915         0.194559     -0.424193      0.748059
      7.28035      2.86523     12.70687         0.548964      0.787469     -0.259536
      6.88622      2.86487     14.06098        -0.567419     -0.094029      0.767267
      6.90735      3.92910     14.92698        -0.581205      1.507418      0.852166
      7.72564      4.15401     12.39156         0.451937      0.095158      0.682322
      7.73022      5.28890     13.22271        -1.371641      1.569304     -0.113574
      7.24911      5.23204     14.54135        -0.476676      0.419360      0.055342
      6.24960      1.76725     14.71244         2.370683     -4.949001     -2.801511
      8.22237      3.06096      9.84992         1.510088     -0.234644     -0.511514
      4.03049     11.47724     10.76405        -0.006929      0.875039      0.183068
      3.74229     12.37523      9.72021         0.196156      0.595948      0.624013
      3.82446     13.77780      9.95065        -0.041270     -0.313301     -0.139985
      4.36418     11.97462     12.03725         0.102246      0.387311      0.315382
      4.42547     13.38394     12.27553        -0.165412     -1.147290     -0.714974
      4.17269     14.31536     11.24012        -0.138257     -0.206798     -0.556700
      3.90419     10.09656     10.28597        -0.093080     -3.195902      0.456495
      3.37698     11.59348      8.50234        -0.816009     -0.146417     -2.644575
      4.27776     15.79864     11.49512        -0.064744      0.521027     -0.416224
      4.15754     16.76801     10.44390        -0.363191     -0.901607     -0.647562
      4.29187     18.13886     10.67231        -0.686734     -0.886823     -0.812099
      4.54349     16.30735     12.79541         0.248597      0.528867     -0.446956
      4.70480     17.69399     13.01230         0.216920     -0.880711      0.134414
      4.53434     18.56284     11.94480        -0.077850      0.795161      0.081994
      4.62884     20.00571     11.88580        -0.210081      2.970314      4.332257
      4.33920     19.30573      9.72917        -0.792667      0.250609     -2.289143
      4.71726      0.63825     10.09786        -0.598564      0.126947      0.009033
      4.97528      0.95277      8.76090        -0.338102      0.482609      0.112717
      5.26647      2.27514      8.40786        -0.528991     -0.300926      0.987183
      4.72105      1.75503     10.98204        -0.930370     -0.299666      0.322886
      4.94009      3.09645     10.58331        -0.667515     -0.195731      0.306258
      5.29322      3.40341      9.24981         0.550534     -0.151102     -0.055413
      5.81487      4.79839      8.77097         0.059678     -0.323992     -1.233928
      6.18272      5.08682      7.41538        -0.062747      0.281236      1.161005
      6.41449      6.43271      7.05455         0.668312      0.059583     -0.098209
      5.79250      5.90888      9.59927         0.408138      2.497707     -0.856211
      5.98279      7.27231      9.22546         0.400809     -1.491549      0.716266
      6.29831      7.56426      7.90826         0.709947     -0.643999     -0.333677
      6.20783      3.96506      6.37274         0.295816      0.189164     -0.685793
      4.82096      4.14773     11.67085        -0.096339      0.311588      0.253538
      1.45375     14.34551      0.60514        -0.848017     -0.060471      0.385080
      1.91051     14.73604      1.86537        -0.803578      1.410534      0.103328
      1.78252     16.14444      2.21300        -0.349513     -0.512959     -0.188918
      0.86081     15.27835     20.97774        -0.419691      0.661950     -0.143202
      0.87561     16.66327      0.00222        -0.435528     -1.968525      0.365387
      1.26733     17.13416      1.28282        -0.147841     -0.464029      0.397665
      1.63414     12.87244      0.41771        -1.857963     -0.315340      1.099238
      2.47511     13.54494      2.54714         1.566295     -2.076345      3.388254
      1.09438     18.62277      1.50346        -0.172127      0.520270      0.283002
      1.43459     19.31255      2.71030        -0.033835      0.116197      0.352769
      1.32139     20.72528      2.82932        -0.707485     -0.828388     -0.940145
      0.56756     19.44279      0.44592         0.101994      0.958283      1.000339
      0.42596     20.85375      0.58486        -0.612443     -0.652056     -1.143560
      0.80262      0.22371      1.75530         0.023490     -0.733547      0.871930
      0.83640      1.65436      2.08336        -0.879845      2.396644     -0.682134
      1.67841      0.38284      3.91671         0.936643      0.468334      2.961260
      1.57041      2.97206      4.14367        -0.382778      0.702227     -0.416184
      2.10593      2.93707      5.40972        -0.070955     -0.427057      0.131799
      2.28899      4.12820      6.06470        -0.432345     -0.373210     -0.678918
      1.22602      4.26449      3.65447        -0.543354     -0.678668     -0.548243
      1.47873      5.43923      4.36241        -1.050386     -0.335589     -0.347353
      2.09194      5.43199      5.62325        -0.572331      0.170837      0.507118
      2.40044      6.63606      6.46273        -0.967764     -0.020827     -0.830896
      3.02009      6.57574      7.68259        -0.892679      0.041027      0.689696
      3.35277      7.67764      8.46500         0.165738      0.783188      0.963609
      2.20465      7.95131      6.05782         0.355948      1.965344      0.963189
      2.63893      9.11475      6.72839        -0.505114     -0.533485      0.130503
      3.18004      9.00723      8.02895        -0.308478     -0.042850     -0.308045
      3.15790      5.25945      8.23946         1.775084     -0.711330      4.219053
      0.95217      6.69298      3.77103        -0.311711      0.513855     -0.479270
      4.60692     14.02037      0.75486         0.028889      0.749763     -0.013897
      3.84776     14.95216      0.01542         0.889357      1.110769      0.398742
      3.88029     16.36123      0.39050         0.576678     -0.713341     -0.284549
      5.41365     14.48632      1.80892         0.204102      0.673495      0.594139
      5.44204     15.87367      2.17798        -0.519197     -1.157475     -0.865881
      4.67287     16.85821      1.49096        -0.033722     -0.182889     -0.499587
      4.45241     12.65778      0.20303         1.088967     -3.067913     -0.046110
      3.11869     14.20194     20.22177        -1.054604     -0.424334     -4.394366
      4.75902     18.34141      1.92552        -0.185096      0.584023     -0.242671
      4.05135     19.44197      1.30230         0.368757      0.492023      0.253538
      4.16973     20.81018      1.76691         0.404772     -1.155776     -0.250600
      5.60619     18.71619      3.01233        -0.335749      1.333210     -0.068676
      5.73841     20.07536      3.45814         0.222675     -0.727905      0.172125
      5.01388     21.10633      2.83939        -0.017795     -0.568985     -0.150625
      4.99788      1.30260      3.12472         0.907883      2.061483      1.176132
      3.55743      0.83689      1.30595        -1.499986      1.712673     -2.159763
      3.73590      3.40879      2.15000         0.824472     -0.439911      0.218641
      2.90496      3.95896      1.16932         0.212805      0.037173      0.413640
      2.62950      5.31278      1.19280         1.393748      0.383098      0.690122
      4.21553      4.34079      3.10696         0.234320     -0.436841     -0.320165
      3.98842      5.74580      3.01003         0.977304     -1.128997      0.143559
      3.31483      6.34751      1.96962        -0.885106     -0.095914     -1.335370
      3.20528      7.93341      1.77828        -0.024959     -0.098385      0.253601
      2.35734      8.55793      0.82877        -0.040873     -0.200058      1.363037
      2.13343      9.90783      0.72778        -0.428374      1.200461      0.490789
      3.63061      8.88150      2.71042        -0.002572      2.962465      0.072841
      3.31473     10.31774      2.74243         0.612923     -1.978900     -0.448015
      2.57728     10.86389      1.69153        -0.131805      0.537760      0.203962
      1.78093      7.60865     21.15120         0.393506     -0.164730      0.778125
      4.60356      6.59031      4.04248         0.893699     -0.416263      1.175871
     18.35714     17.28856     13.26532        -0.034194      1.262549      0.535790
     19.43817     17.78549     14.01988        -0.648859      0.673350      0.313227
     19.59406     19.19531     14.17571         0.017137     -0.493500      0.619323
     17.44873     18.19363     12.68099        -0.330272      0.467848     -0.092500
     17.61067     19.59581     12.84694         0.348380     -1.265449      0.306467
     18.68175     20.12371     13.61473        -0.093779     -0.232338      0.257940
     18.39069     15.84377     13.25620        -1.884703     -3.613044     -0.133506
     20.30483     16.65075     14.46148        -1.551341     -0.448806      1.038181
     18.79829      0.34389     13.85254         0.536556      0.264334      0.368596
     19.88107      0.93550     14.60147        -0.148792     -0.030769      0.090937
     19.90050      2.31998     14.89518        -0.735072     -0.718824      0.004094
     17.78512      1.21598     13.39943         0.331944      0.940499      0.373418
     17.81266      2.60098     13.71353        -0.694916     -0.266111     -0.622932
     18.86291      3.13778     14.45478        -0.344648     -0.563784     -0.385523
     19.05959      4.50217     14.90873        -0.756591      2.832612      1.048647
     20.77864      3.14442     15.74252         1.641622     -0.289779      1.948581
     20.90339      5.63227     16.43593        -1.615731      0.451305      0.541335
      0.91449      5.59616     16.97503         0.145771     -0.139468      1.347410
      1.50978      6.80496     17.31218         2.432966     -1.547573      1.296122
     20.34217      6.95638     16.41272        -0.464529     -0.632864      0.580881
     20.92830      8.07402     17.09071        -1.707819     -0.043786      0.032074
      0.93975      8.04968     17.58774         1.184680     -0.382142      0.937768
      1.72301      9.16390     18.23759        -2.067680      2.553308      1.633770
      2.97193      9.12171     18.92078         0.390702      1.313082      0.907078
      3.51331     10.21357     19.64526         0.189520      0.844343     -0.714276
      1.06376     10.42986     18.55480         2.004612     -1.742021     -0.759039
      1.74365     11.60309     18.98564        -0.492778      1.802075     -0.197894
      3.02413     11.57340     19.57555         0.027679     -1.238643      0.150541
      3.77169      7.92784     18.96351        -1.438625     -3.007302     -0.812712
     20.16794      9.31509     17.20778        -3.818985      0.287155     -0.771464
      2.06186     18.09623     14.09280         0.086042      1.111438      0.851480
      1.23166     19.06284     13.51143         0.605461      0.303778     -0.030175
      1.41800     20.43353     13.83579        -0.230468     -0.161232     -0.457601
      3.10771     18.51348     14.93909         0.125043      0.497020      0.496149
      3.37504     19.89874     15.15899        -0.877739     -1.170675     -0.266059
      2.49590     20.89019     14.65290        -0.511236     -0.032638     -0.155066
      1.62095     16.76171     13.78463         1.201666     -4.082044     -1.152311
      0.25829     18.39856     12.59655        -1.947815      0.479176     -2.422658
      2.69015      1.09045     14.94199        -0.683180      0.945164      0.219149
      1.83246      2.10287     14.41303        -0.328384     -0.373711     -0.617167
      1.99570      3.48186     14.70763         0.407838     -0.471414     -0.980646
      3.72338      1.56245     15.79752        -1.024628      0.579015      0.411372
      3.92636      2.93533     16.06762         0.078995     -0.940729      0.641240
      3.04074      3.85805     15.53401        -0.001972     -0.016435     -0.733329
      3.04158      5.28336     15.68809         0.333279      1.400254     -0.653357
      1.17061      4.69534     14.32279        -0.685840      0.373194     -2.055477
      1.35943      7.21626     14.87222         0.150651      0.082058     -0.904669
      0.11361      7.54223     14.31743         0.901581      0.055675     -0.375197
     20.95160      8.87180     14.29645         0.733564     -0.184692     -0.657321
      1.98280      8.30944     15.55618         1.445756     -0.553468     -1.331746
      1.55580      9.64520     15.43818         0.869608      0.046007     -0.425603
      0.38606      9.99456     14.74028        -0.435617     -0.122906     -0.357388
     21.01417     11.35783     14.67250        -0.507794      0.028406      0.162912
     19.70822     11.62093     14.16355         0.084533      0.227667     -0.348444
     19.30635     12.95696     13.92470        -1.065706     -0.022752      0.348694
      0.42353     12.51015     15.09754        -0.845644      0.662358     -0.521037
      0.00251     13.81818     14.97518        -0.436065      0.220269      0.277048
     20.05786     14.09440     14.32413        -0.691413     -0.358244      0.780836
     18.81438     10.52396     13.54000        -1.541886     -2.288336      0.740395
      2.38382     10.68334     16.09022        -0.131854      1.124455     -0.309786
     16.21286      0.40657      5.10411        -0.185210      0.650553      0.411839
     17.09807      0.91140      6.06239        -0.979562      0.756941      0.189304
     17.12539      2.29932      6.35212        -0.245791     -0.125253      0.391732
     15.30428      1.26273      4.49718        -0.650244      0.599887     -0.427936
     15.32251      2.66141      4.77739         0.515303     -1.080481      0.215266
     16.25085      3.22399      5.68356         0.096455     -0.526777      0.245893
     16.43343     20.23259      4.92502        -0.867899     -2.842487     -1.250563
     17.87370     21.04426      6.60452         0.625546     -1.257742      2.432328
     16.27233      4.70782      5.94107         0.290365      0.234943      0.369045
     17.17668      5.32091      6.86916         0.031778      0.167650      0.180391
     17.16063      6.72153      7.10695        -0.505942     -0.744322     -0.406924
     15.37200      5.56946      5.26835         0.425036      1.240147      0.610300
     15.36570      6.97903      5.51629        -0.332757     -0.520883     -0.452382
     16.25694      7.54852      6.43376        -0.059919     -0.568403     -0.251758
     16.44197      8.94794      6.86182        -0.725054      2.831401     -0.138875
     17.92530      7.55163      8.05097         1.519336      0.142830      2.723100
     18.01602     10.12201      8.58243        -0.521203      0.337118      0.328624
     19.02763     10.00735      9.52416        -0.493457      0.213213      0.217935
     19.54576     11.14636     10.13537        -0.809597     -0.887869     -0.522649
     17.56917     11.45786      8.37538        -0.735842     -0.177305     -0.268752
     18.06530     12.57619      9.07262        -1.011026     -0.730430     -0.384759
     19.10103     12.45707     10.01254         0.153089      0.194890      0.731870
     19.72654     13.57610     10.79258        -0.503254      0.213914      0.042182
     20.87680     13.50298     11.61214         0.462560      0.115972     -0.070213
      0.24542     14.55602     12.19359         1.299733      1.632735      0.332942
     19.24552     14.88710     10.77620         0.252752     -0.033906      0.148216
     19.83301     16.00921     11.35690         0.942663      0.799475     -0.051721
     21.06614     15.89209     12.03519        -0.745518     -0.203671     -0.906510
      0.30247     12.26780     11.90808        -0.106413     -2.986418     -0.587961
     17.43857     13.88414      8.76935        -0.795691      0.216786      0.271354
     20.16008      1.23028      6.21460         0.485521      0.800951     -0.259890
     19.60478      2.28989      5.47012         1.064549     -0.201387      0.376198
     19.77573      3.60186      5.90991         0.184911      0.649270     -0.119671
     20.79785      1.48729      7.43818         0.437493      0.552553      0.398949
     20.94382      2.82868      7.89943        -0.456293     -1.199489     -0.986262
     20.45442      3.91345      7.13251        -0.228292      0.040001     -0.572624
     19.88157     -0.03820      5.51222         1.633770     -3.215988     -0.396928
     18.90185      1.73557      4.27839        -0.751619      0.976135     -2.040787
     20.65476      5.33611      7.55637        -0.116258      0.429663     -0.087366
     20.23675      6.40701      6.71609        -0.367276     -0.870150     -0.990790
     20.43630      7.73234      7.05097        -0.061599     -0.773822     -0.618476
      0.00207      5.68146      8.79286        -0.316327      1.134516     -0.244806
      0.23682      7.04060      9.14280        -0.030460     -0.891561      0.046820
     21.05466      8.01477      8.24335         0.359555      0.869565     -0.253551
     21.05373      9.45406      8.27182         4.952680      4.311846      6.700911
     20.00758      8.99343      6.37455        -0.890981      0.204167     -2.582513
     20.21639     11.53449      6.97489         0.396519      0.160581     -0.189888
     19.43033     11.93480      5.89157         0.096555      0.100546      0.044760
     19.13453     13.28653      5.71496         0.676577     -0.789322      0.223856
     20.73764     12.60286      7.76049         0.626664     -0.261605      0.034113
     20.48924     13.97321      7.48626         0.761757     -0.756633      0.073442
     19.62324     14.37202      6.44998        -0.042194     -0.130757     -0.537347
     19.12491     15.76903      6.20371         0.376042      0.163178      0.023612
     18.23927     16.13117      5.17317         0.112974      0.487951     -0.252242
     17.76536     17.45047      5.04834        -0.272846      0.385972     -0.545000
     19.44924     16.84632      7.04767        -0.545874      1.064600     -0.691732
     18.97642     18.15645      6.96450        -0.006812     -0.275675      0.113776
     18.07771     18.49565      5.94937        -0.300536     -0.432594     -0.154415
     17.79772     15.13725      4.14030        -0.075917      0.305528     -0.130915
     21.16760     15.00950      8.34083         0.748239     -0.163987     -0.690214
     12.22224      5.33071      4.01813         0.618017     -0.239618     -0.114090
     12.90515      3.74060     20.57914        -0.000287      0.086160      0.586234
     13.02098      6.15400     21.10464        -0.073635     -0.219510     -0.129018
     12.40659      7.46598      4.34953         0.362143      0.257185     -0.179423
     13.25497      7.88665      0.12297         0.008552      0.180373     -0.173006
     13.55272     10.33684      0.40313        -0.079146     -0.252876      0.407384
     12.99236     13.67736      8.49117         0.285315     -0.399146     -0.128464
     12.70504     11.84085      7.14167         0.692890      0.285904     -0.143910
     13.88776     14.29111      3.80649         0.493211     -0.088009      0.320785
     13.03372     17.13884     11.33509        -0.002574     -0.024874     -0.226217
     14.40115     17.78391      6.74119         0.489959      0.217945      0.428107
     14.69459     19.58505      8.19172         0.008225     -0.096758      0.069207
     10.24059      6.85220      3.35919        -0.159855     -0.284158      0.213083
      9.33651      3.45320      6.89271         0.348469      0.407955     -0.549924
      9.51541      5.84704      7.52857         0.073016     -0.129974      0.049021
     10.69385      8.66287      3.92804        -0.714571      0.396072      0.439602
      9.61624      7.69728      8.00643         0.075368      0.115601      0.159921
      9.88278     10.09818      8.64654         0.084998     -0.039590     -0.345548
     12.28462     15.86665      2.44579         0.198794     -0.450489      0.199209
     11.79317     13.64922      2.91776        -0.213877      0.228837      0.150223
     10.84568     14.86446      6.94308        -0.218501      0.187545     -0.405766
     12.57329     20.20343      1.10630         0.462054     -0.015831      0.341231
     11.68310     19.13247      5.70487         0.111242      0.481710      0.151025
     11.81143      0.12579      5.19395         0.063786     -0.106905     -0.192840
      9.64923      9.34724     17.21170         0.637817     -0.453642     -0.472326
     10.09421      7.76808     12.46752         0.052152      0.130060      0.632739
     10.30085     10.19686     13.00436        -0.120507     -0.363901      0.022841
      9.79854     11.38808     17.61768         0.332834      0.178914     -0.079445
     10.55966     12.01379     13.38779         0.008763      0.121200     -0.121237
     10.83361     14.44761     13.79018        -0.207636     -0.328715      0.409852
      9.83255     17.76979      0.57917        -0.303244     -0.399564     -0.182483
      9.96217     15.85419     20.62120         0.027990      0.179602     -0.158468
     10.63388     18.35586     17.18456         0.716886     -0.081154      0.324390
      9.74008     -0.00657      3.41460        -0.480576      0.137615     -0.590118
     10.78190      0.72430     20.03475         0.980209      0.344132      0.637697
     10.61711      2.61994      0.11801        -0.531911     -0.422409      0.075879
      7.84929     10.60112     16.11038        -0.489682     -0.078352      0.078978
      6.90041      7.22167     19.66575         0.140316      0.332012     -0.328991
      6.90775      9.64010     20.23223         0.156361     -0.101232      0.253890
      7.98686     12.64328     16.71354        -0.636136      0.265300      0.084322
      6.76131     11.44228     20.68023         0.109090      0.056206      0.163528
      6.73905     13.81638      0.12645         0.522091     -0.218197     -0.649684
      9.45396     19.97390     15.83190         0.356279     -0.497881      0.744385
      8.94897     17.74696     16.14212        -0.384082      0.121544      0.172112
      7.26008     18.84068     19.97063        -0.033009     -0.073207      0.038092
      9.40049      3.02689     14.33422         0.226306     -0.188913      0.354366
      8.49435      1.98467     18.99713         0.304443      0.383461     -0.028781
      8.78736      4.24290     18.43450         0.223000     -0.106523     -0.159961
      6.81255     13.04801      8.72436         0.017974     -0.208903     -0.176990
      7.54992     11.33145      4.06715        -0.083199      0.116263      0.527269
      7.81588     13.75402      4.55661        -0.053592     -0.140401     -0.093830
      6.81171     15.13023      9.00458         0.058108      0.262655     -0.086867
      8.05921     15.53192      4.86412         0.023653      0.203494      0.007660
      8.21235     17.98333      5.13824        -0.291638     -0.264147      0.434227
      6.28232      0.31469     12.89028        -0.573953     -0.068443      0.102000
      6.46266     19.65192     11.67714         0.941516      0.083261      0.019457
      8.08684      0.77913      8.52470         0.010601      0.106917     -0.085356
      6.66821      3.74195     15.97702        -0.177427      0.168320     -0.293158
      7.97457      4.39730     11.38811         0.417663      0.395132      1.087329
      8.00099      6.28914     12.76641        -0.541134     -1.195705      0.402049
      3.60032     14.47352      9.13049        -0.005906     -0.307313      0.105796
      4.57383     11.28252     12.87347        -0.099727      0.232156     -0.404413
      4.66654     13.73922     13.27713         0.033939     -0.164654     -0.012199
      3.98858     16.41643      9.41470         0.021649      0.156013      0.234093
      4.59838     15.62873     13.64721         0.160338      0.151578     -0.072299
      4.89435     18.06244     14.02731         0.535821     -0.083360     -0.804962
      5.48326      2.39237      7.38858        -0.275231     -0.544383     -0.122849
      4.95569      0.20236      7.97484         0.013502     -0.115832      0.017927
      4.55418      1.56065     12.04429        -0.287168      0.102295     -0.305978
      6.68013      6.60221      6.03287         0.370276      0.251762     -0.259395
      5.42978      5.82764     10.59260         0.167365      0.684200     -0.678061
      5.81359      8.02767      9.99746         0.197498     -0.097049     -0.229326
      2.09995     16.47398      3.19703         0.054076     -0.027575      0.233695
      0.53838     14.94920     19.96909        -0.132338      0.154544      0.894219
      0.54399     17.33411     20.47032        -0.051843     -0.173733      0.104117
      1.81303     18.73993      3.56792        -0.031330      0.179704     -0.122216
      0.25029     19.01001     20.76375        -0.035454      0.064933     -0.082255
      0.02709      0.20311     20.99201         0.328336     -0.512673      0.662957
      2.65383      3.93542      7.00877        -0.590027     -0.805088     -0.136346
      2.36069      1.99043      5.91119        -0.134958      0.453157     -0.232725
      0.79548      4.32746      2.65221        -0.171865      0.037313      0.369496
      3.78250      7.52587      9.45460        -0.458545     -0.032043     -0.186093
      1.89611      8.14415      5.07320        -0.258226      0.613716      0.053352
      2.50304     10.08095      6.23126         0.010231     -0.129915      0.207669
      3.22049     17.05244     21.12987         0.366329     -0.050080     -0.327213
      6.06795     13.77286      2.35149        -0.446902      0.344096     -0.171373
      6.08267     16.16498      3.00473         0.081201     -0.106003      0.049000
      3.38100     19.23340      0.46903         0.115961      0.126335     -0.093666
      6.19303     17.96138      3.52998         0.025865      0.069523      0.085959
      6.42223     20.31186      4.30208        -0.375953     -0.148613     -0.444877
      1.98232      5.59606      0.41924        -0.779221     -0.829489      0.109443
      2.38891      3.36588      0.42672         0.047776     -0.192268     -0.079294
      4.80254      3.96791      3.93573         0.014994      0.054104     -0.016846
      1.63651     10.27705     21.10963        -0.727469     -0.079728      0.011911
      4.08146      8.58668      3.62459         0.262172      0.760644     -0.396187
      3.72554     10.89964      3.57699        -0.246762     -0.039439     -0.236934
     20.51251     19.58491     14.65181        -0.696611     -0.351042      0.186384
     16.58994     17.81580     12.10041         0.328591      0.085817      0.141583
     16.89882     20.27176     12.38148        -0.129096     -0.148185     -0.098335
     20.69480      0.28104     14.95057        -0.346135      0.369754      0.151662
     16.95892      0.82660     12.80219        -0.005012      0.181859      0.129401
     16.98207      3.24665     13.36461         0.446096     -0.239121      0.177776
      2.65295      6.67546     17.38125        -2.732694      0.495850     -0.548735
      1.54911      4.68168     16.90877        -0.808577      0.562363      0.724136
     19.38919      7.09641     15.91851        -0.289997      0.038531      0.199300
      4.38241     10.06487     20.25720         0.489237     -0.315983      0.132721
      0.16277     10.60808     18.00852         0.699982      0.686649      1.393172
      1.27366     12.60292     18.63271         0.775716     -1.710756      1.104921
      0.69655     21.17353     13.45078         0.405565     -0.414375     -0.183747
      3.78892     17.75025     15.35732        -0.616731      0.383823      0.256204
      4.26596     20.17824     15.71386         0.006026     -0.068665      0.139890
      0.92764      1.78110     13.85704         0.694195      0.396041     -0.034786
      4.49252      0.86495     16.09618        -0.595971     -0.128815      0.781593
      4.79604      3.26351     16.66437        -0.585302     -0.119170     -0.074695
     20.01722      8.97484     13.83037         0.026683     -0.332257     -0.015307
     20.74629      6.78123     13.85786         0.086286      0.045824     -0.149802
      2.85803      8.10794     16.18215         0.133576      0.300606     -0.909685
     18.38234     13.11540     13.35498         0.186356     -0.024844      0.339438
      1.36640     12.42790     15.55257        -0.039214      0.807491     -1.024314
      0.65483     14.62323     15.31280        -0.117851     -0.185378      0.042949
     17.86734      2.69089      7.06248        -0.536088     -0.344766      0.046320
     14.53682      0.85704      3.81106         0.540415      0.190911      0.251064
     14.60137      3.29995      4.27842        -0.043924     -0.076095     -0.082233
     17.90950      4.68968      7.39323        -0.297722      0.332509      0.007784
     14.66821      5.15902      4.54753        -0.037243      0.160832     -0.033528
     14.64906      7.61653      4.97027         0.339735     -0.236637      0.259234
     20.35459     10.90497     10.75825         0.141116     -0.357519     -0.500645
     19.53109      9.05618      9.70808        -0.604435      0.179812      0.372015
     16.77735     11.60447      7.64367        -0.005694      0.144543      0.006926
      1.07141     14.34781     12.87838        -0.011469      0.159486     -0.520077
     18.46131     15.13321     10.10830        -0.212428      0.339757      0.762271
     19.44627     17.01868     11.11946         0.201607     -0.622460      0.013798
     19.35407      4.41183      5.29682         0.134740     -0.295971      0.121655
     21.16297      0.65214      8.06332        -0.089463      0.344877     -0.357395
      0.21405      3.00392      8.82720        -0.006512     -0.062291      0.209440
     19.71083      6.17187      5.77915         0.269936      0.169710      0.221794
      0.34889      4.90040      9.45944        -0.337758      0.164728      0.245443
      0.73994      7.27365     10.10067        -0.329553      0.115667     -0.515066
     18.50698     13.45061      4.88986        -0.064538     -0.588127      0.095015
     19.03067     11.21128      5.17526         0.021842      0.101613      0.221322
      0.08971     12.35182      8.62897         0.152484      0.017840     -0.272701
     17.04907     17.66899      4.25144         0.401352     -0.048363      0.047962
     20.11615     16.72339      7.85059        -0.225894      0.566243     -0.233583
     19.38094     18.90637      7.65419        -0.335716     -0.299783     -0.071434
     14.04900     19.28170     10.58958        -0.122087      0.300744      0.504605
     18.67193     20.90525      3.71000        -0.092798     -0.294471     -0.396079
     12.38204      1.16490      2.73361         0.898566      2.155002     -1.059134
     13.30990     11.70567      4.54833         0.707122     -2.220669     -2.606540
      9.95043      2.57626      2.78290        -0.901958      1.942217      1.732896
     10.87739     12.67970      5.31860        -0.982782     -1.067399      0.713470
      9.47443      5.19650     15.89134         1.163686      1.608215     -0.255533
     10.35290     15.71235     17.92922         0.848730     -1.857137     -2.206762
      7.22164      6.34952     15.48453        -0.458168      1.454753      0.718789
      7.78802     16.64487     18.35990        -0.891280     -1.906986      0.428700
      6.52179      8.90640      7.47456         0.436977      2.186668     -0.873792
      7.34020     19.45370      9.11170         0.576720     -1.810755     -1.800838
      3.47307     10.13437      8.84519         0.583771      1.747721      1.669299
      4.50251     20.52600     10.51949        -0.722015     -1.199605      1.305719
      2.29003     12.30065      1.56378        -0.427995      1.596493      0.239359
      1.36390      1.78550      3.43561        -0.505894     -2.200247     -1.207470
      3.57156     12.68715     20.30789         0.428753      2.191013      0.339973
      4.04169      1.96818      2.19926         0.861919     -1.900274      0.071840
     19.63732     15.43622     14.09874        -1.509643      1.143186     -0.193031
     20.28776      4.49506     15.82862        -2.084103     -1.031546     -0.579682
      0.43867     16.96803     12.63741         2.493852      1.498550      1.260193
      1.77703      5.84969     14.89514         2.640988     -1.083991     -0.905610
     17.50489     19.80323      5.83653        -1.105949      1.900223      0.057748
     17.53086      8.97789      7.87108        -1.223049     -1.488087     -1.042907
     19.09532      0.31424      4.33123         1.810288      1.603546      1.464124
     20.44748     10.11680      7.19082         0.824737     -1.369765      0.465665
     11.97058      2.39531      4.83107         1.385928     -0.244215     -2.909400
     12.81855      0.95542      0.30466         0.673890      2.033470      3.141800
     12.70951      9.90834      6.09872         2.120148      0.963714     -3.399530
     13.74487     12.70419      2.27630        -1.347420     -3.978729      2.366310
     10.28395      4.56557      1.34088        -1.623565     -1.506365      3.339163
      9.42410      1.39515      4.88884         0.134017      2.031069     -1.262352
     11.15875     11.51916      3.20891        -1.556907      0.406353      0.410653
     10.33860     12.90485      7.72394         0.231132     -1.946976     -2.770427
      9.26265      6.45786     18.00943         1.714581     -0.344450     -2.875983
      9.71349      5.01089     13.50649         2.531041     -1.637068     -1.145257
      9.90761     13.82977     19.46163         1.520474      1.141687     -3.140807
     10.77845     16.72593     15.65172        -0.488231     -2.973900      2.007212
      7.71983      8.33623     14.08690        -1.704867     -1.209932      2.459273
      6.87964      5.12775     17.57864        -0.302810      2.996479     -1.743377
      8.35531     15.58803     16.21055        -1.818999      0.266268      1.598777
      7.10087     16.67046     20.71468         0.721856     -1.574969     -2.882763
      6.32385     10.19997      9.55310         0.968914     -0.334006     -3.159059
      7.01332      8.61821      5.10285        -0.063829      1.475242      2.296607
      6.66472     17.65671     10.62894         1.923891      1.038204     -2.975855
      8.11471     20.35968      6.96877        -1.019017     -2.335301      1.790863
      3.05169     12.05687      7.36701         0.851914     -1.318798      2.848678
      4.10866      9.03566     10.96055        -0.846236      2.855086     -1.752433
      4.24401     19.24478      8.47952         0.238714      0.287985      2.223311
      4.75664     20.67358     13.01331        -1.576101     -2.295624     -4.479655
      3.00654     13.42310      3.70199        -1.806455      0.406383     -3.810272
      1.01154     12.24556     20.80726        -1.090334      0.306727      1.400301
      2.15636      0.08410      5.05698        -1.240594      0.866764     -3.188824
      0.48112      2.60793      1.33076         0.421084     -2.174547      1.924502
      2.34812     14.59405     19.26933         3.565842     -1.345545      2.247372
      5.01751     11.58535      0.60286        -1.178241      2.684407     -0.693186
      2.73922      0.99393      0.34440         2.925822     -0.162543      2.260067
      5.70047      1.88741      3.98834        -1.444102     -1.360233     -2.225906
      0.09748     16.74612     15.12729        -0.790073     -0.205803      1.103678
     17.54241     15.01242     12.78269         2.279248      2.714014      2.068058
      0.58829      2.71525     16.27753        -3.101188      0.935866      0.246749
     18.33053      5.49934     14.68649         1.782069     -2.029158      0.521529
     20.60947     18.99891     11.92251         2.808821     -1.360141      0.671308
      2.18119     15.63135     13.99366        -1.587458      3.940342     -0.646287
      0.10615      4.67389     13.62334         2.763767      0.093441      0.598322
      3.84241      5.95601     16.32538        -0.407498     -0.678458     -1.558569
     18.69137     21.11805      7.56784        -3.081633     -0.730299     -1.210019
     15.81373     19.47172      4.11628         1.595210      1.860637      1.811534
     18.75185      7.13280      8.90778        -3.102236      1.060871     -1.213979
     15.79370      9.96017      6.46439         1.683305     -2.402326      0.956311
     18.26793      2.38549      3.39959         1.405811     -1.740519      1.712676
     20.23423     20.03200      5.85367        -0.046183      3.943647     -2.246710
     19.41289      9.07028      5.27376         0.884594      0.032989      1.984917
      0.45635     10.07397      9.39888        -2.758517     -3.128613     -6.751946
     13.47867     17.65086      5.35133        -0.213302      0.281685      0.557873
     15.42418     17.01911      5.56585         2.240255     -1.153425      0.618752
     14.37930     16.60340      3.79744         0.500561     -1.378199     -0.950579
     11.94144     15.05154     11.08493        -0.279225      0.960554      2.738664
     11.51197     14.56175      9.15622        -0.612263     -0.308783     -0.620556
     13.50294     13.95878     10.12896        -0.179573     -0.091224      0.335475
     12.01075     18.28382      7.16116         0.789366      0.481299     -0.205866
     10.10908     18.42321      6.23032        -1.284862      0.475075     -0.256492
     10.54778     17.01864      7.76659        -1.575833     -2.100697      1.580999
     12.87085     18.05461      0.22184         0.206021      1.660056     -1.444019
     13.73932     16.74985      1.62469         0.906270      0.041202     -0.062717
     11.66052     16.46610      1.03554         0.786204      1.587923     -0.043350
      9.91539      0.40755     18.74191        -0.647015      0.244209      0.464758
     11.90964      0.02871     18.69892         3.429880     -0.288561      1.381691
     10.81495     20.75421     17.08877         1.086222     -1.072606     -2.410973
      9.40761     19.01602      3.45981        -1.628529      1.514371      1.430037
      8.46251     18.42937      1.61012        -2.309882      0.650401      0.116976
     10.51324     18.16874      1.96229        -1.399636     -0.129451      0.087245
      8.30883      0.81106     20.52814         0.977048      0.579400     -0.229547
      6.73206      1.27374     19.16844        -1.553929      0.473061     -0.782752
      6.58107     21.02349     20.63760        -2.185198     -2.049598      1.151346
      9.06372      0.87313     13.40733        -0.622721      1.088571     -2.073915
     10.29350     21.06030     14.57077         2.381020     -1.397434      0.800422
      8.10657     20.36435     14.79865         3.351214     -0.585170     -1.687155
      7.38764      4.08269      9.89124        -0.656285      1.107793      0.422823
      9.30025      3.60270     10.46905         2.521012     -0.791393      0.793128
      8.57487      3.06110      8.58132         0.980764     -1.371816     -2.049503
      6.34233      1.46032     15.98323        -0.887728      1.713296      1.849840
      5.10282      1.39682     14.16846        -0.885395      1.048019     -0.720032
      6.99998      0.46118     14.27550        -2.874314      4.493846      1.236645
      5.91238      4.95217     11.83419         0.246004      0.008843      0.298140
      3.89558      5.10494     11.61492        -2.664663      0.771552     -0.356232
      4.61642      3.69854     12.89231        -0.496164     -2.311471      1.834062
      6.67984      4.33631      5.20850         1.669215      1.421179     -1.988991
      7.06059      3.00046      6.74262         1.121284     -1.043367      0.469759
      5.06143      3.25926      5.94768        -0.267579      0.884095      0.606261
      0.23947      7.51482      4.54653        -2.905978     -0.525177      1.377854
      1.89437      7.56173      3.43001         1.526975      0.855820     -0.002927
      0.28967      6.61443      2.62598        -1.865973     -1.671773     -1.167278
      3.67984      5.29803      9.52487        -1.485752      1.461825     -0.635657
      2.13800      4.43660      8.59266        -1.871302     -0.488337     -0.624636
      4.02260      4.46988      7.57272        -0.532353      0.487456     -0.368438
      5.53674      7.43159      3.59221         2.057968     -0.599328     -1.356784
      3.84507      7.39712      4.78385        -1.541776      1.550938     -0.271107
      5.07746      5.93267      5.10840         1.032126     -2.308038     -0.532754
      1.23950      8.10674     20.08826        -0.422021      1.794616     -2.077158
      2.92724      6.85651     -0.29989        -1.404431      0.561826     -0.021175
      0.71617      6.82277      0.16180        -0.898180     -1.688388      2.442087
     19.84232      9.70191     18.44213        -0.452148     -0.609057      2.654365
     20.60888     10.48776     16.67162         0.005412      0.519891     -0.011288
     18.94277      9.26335     16.60538        -0.620590     -1.397274      0.191233
      4.60280      7.71448     19.92600         1.858743      0.734664      1.423173
      2.88900      6.60550     19.00936         2.172592      1.112281     -0.814679
      4.41586      7.69068     17.83734         0.922346      0.430333     -1.513027
      2.96056     11.55873     15.26165         1.836358      0.490356     -3.004881
      1.69222     11.65022     16.83745         0.486487     -0.964081      0.747870
      3.38596     10.29130     16.84598         1.579350     -0.903368      0.181434
     17.65109     10.94911     13.09300        -0.953326      1.708550     -0.981269
     19.19641      9.55604     12.49816        -0.284540      1.746204     -0.040395
     18.41412      9.59272     14.48316        -0.338086      0.593922      0.332702
     16.83148     14.47130      9.84752        -1.391102     -0.545831      0.815659
     18.27944     14.82830      8.35089         1.045519      1.155186     -0.010779
     16.54276     13.91978      7.80295        -2.057367     -1.261354     -1.422316
      1.23520     12.08884     12.83296         1.629113      1.559538      0.729317
     20.62179     11.30413     12.28527         1.412502      0.145305     -0.731701
      0.89130     11.72427     10.83031         0.781178      0.737633     -1.135317
      0.53191     15.99104      7.65545         2.003132      0.130130     -2.000709
     20.39373     15.75499      9.12369        -1.102172      0.439738      1.047042
      0.82208     14.56426      9.18654         1.687619     -1.770888      0.776120
     17.12627     15.62550      3.12266        -1.187898      1.556317     -1.407292
     18.86915     14.53229      3.50895         0.227901     -0.046065     -0.265956
     16.91617     14.19268      4.65444        -0.136447     -0.001318     -0.038495
 -----------------------------------------------------------------------------------
    total drift:                                0.005253     -0.020367      0.004027


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4478.9109277651 eV

  energy  without entropy=    -4479.0640949138  energy(sigma->0) =    -4478.96198348
 
 d Force = 0.3726722E+02[ 0.385E+00, 0.741E+02]  d Energy = 0.3844984E+02-0.118E+01
 d Force =-0.2552730E+04[-0.285E+04,-0.226E+04]  d Ewald  =-0.2545716E+04-0.701E+01


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   12(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3184
 total energy-change (2. order) : 0.5266465E+02  (-0.1632967E+04)
 number of electron    2498.0000026 magnetization 
 augmentation part      164.5095929 magnetization 

  free energy =  -0.442624627260E+04  energy without entropy=  -0.442636236368E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   12(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3632
 total energy-change (2. order) :-0.6547924E+02  (-0.7459007E+02)
 number of electron    2498.0000031 magnetization 
 augmentation part      165.6118410 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7572
  0.7572

  free energy =  -0.449172551393E+04  energy without entropy=  -0.449186082299E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   12(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3768
 total energy-change (2. order) : 0.4322405E+01  (-0.1750441E+01)
 number of electron    2498.0000031 magnetization 
 augmentation part      164.7889582 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2084
  1.2084  1.2084

  free energy =  -0.448740310866E+04  energy without entropy=  -0.448754954516E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   12(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3632
 total energy-change (2. order) : 0.1509449E+01  (-0.1184263E+01)
 number of electron    2498.0000030 magnetization 
 augmentation part      163.9393612 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1603
  1.5961  1.1009  0.7839

  free energy =  -0.448589366004E+04  energy without entropy=  -0.448604865784E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   12(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3632
 total energy-change (2. order) : 0.7293575E-02  (-0.1990853E+00)
 number of electron    2498.0000030 magnetization 
 augmentation part      163.9628581 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2666
  2.0841  0.9900  0.9900  1.0025

  free energy =  -0.448588636647E+04  energy without entropy=  -0.448604075223E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   12(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3632
 total energy-change (2. order) : 0.2181483E-01  (-0.7193735E-01)
 number of electron    2498.0000031 magnetization 
 augmentation part      163.9603641 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2478
  2.2008  1.0243  1.0243  0.9948  0.9948

  free energy =  -0.448586455163E+04  energy without entropy=  -0.448601889369E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   12(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3800
 total energy-change (2. order) : 0.1570380E-03  (-0.1203160E-01)
 number of electron    2498.0000030 magnetization 
 augmentation part      164.0025972 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2370
  2.3152  1.0084  1.0084  1.3196  1.0324  0.7383

  free energy =  -0.448586439460E+04  energy without entropy=  -0.448602089635E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   12(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3640
 total energy-change (2. order) : 0.2048286E-02  (-0.2964215E-02)
 number of electron    2498.0000031 magnetization 
 augmentation part      164.0234917 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2260
  2.4301  1.4875  1.0687  1.0687  0.9318  0.9318  0.6632

  free energy =  -0.448586234631E+04  energy without entropy=  -0.448601559802E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   12(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) :-0.5627875E-03  (-0.1222912E-02)
 number of electron    2498.0000030 magnetization 
 augmentation part      164.0156800 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2071
  2.4649  1.6260  0.9799  0.9799  1.0295  1.0295  0.9408  0.6061

  free energy =  -0.448586290910E+04  energy without entropy=  -0.448601824034E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   12(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3672
 total energy-change (2. order) :-0.5506058E-03  (-0.2438565E-03)
 number of electron    2498.0000030 magnetization 
 augmentation part      164.0118890 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2215
  2.5645  1.8373  1.1127  1.1127  1.0291  1.0291  0.9457  0.7657  0.5962

  free energy =  -0.448586345970E+04  energy without entropy=  -0.448601770317E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   12(  11)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) :-0.1103264E-02  (-0.2353042E-03)
 number of electron    2498.0000030 magnetization 
 augmentation part      164.0088371 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2097
  2.6859  1.9956  1.2747  1.0780  1.0780  0.9755  0.8734  0.8734  0.6765  0.5861

  free energy =  -0.448586456297E+04  energy without entropy=  -0.448601968064E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   12(  12)  ---------------------------------------



 eigenvalue-minimisations  :  3680
 total energy-change (2. order) :-0.9101698E-03  (-0.5689226E-04)
 number of electron    2498.0000030 magnetization 
 augmentation part      164.0095031 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2260
  2.7096  2.2245  1.4165  1.0351  1.0351  0.9994  0.9994  0.9503  0.8976  0.6439
  0.5741

  free energy =  -0.448586547314E+04  energy without entropy=  -0.448602032779E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   12(  13)  ---------------------------------------



 eigenvalue-minimisations  :  3760
 total energy-change (2. order) :-0.9587660E-03  (-0.4659467E-04)
 number of electron    2498.0000030 magnetization 
 augmentation part      164.0120497 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2488
  2.8610  2.5016  1.4621  1.0490  1.0490  1.1536  0.9025  0.9025  0.9439  0.9439
  0.6443  0.5728

  free energy =  -0.448586643190E+04  energy without entropy=  -0.448602142183E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   12(  14)  ---------------------------------------



 eigenvalue-minimisations  :  3680
 total energy-change (2. order) :-0.7946449E-03  (-0.1755816E-04)
 number of electron    2498.0000030 magnetization 
 augmentation part      164.0121230 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3038
  3.4144  2.5724  1.6688  1.0367  1.0367  1.2983  0.9981  0.9981  0.9490  0.9490
  0.8075  0.6543  0.5663

  free energy =  -0.448586722655E+04  energy without entropy=  -0.448602221532E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   12(  15)  ---------------------------------------



 eigenvalue-minimisations  :  3520
 total energy-change (2. order) :-0.5798429E-03  (-0.8922120E-05)
 number of electron    2498.0000030 magnetization 
 augmentation part      164.0117913 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3386
  3.9024  2.5838  1.8845  1.3849  1.0430  1.0430  1.0787  1.0787  0.8963  0.8963
  0.9681  0.7592  0.6522  0.5689

  free energy =  -0.448586780639E+04  energy without entropy=  -0.448602281999E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   12(  16)  ---------------------------------------



 eigenvalue-minimisations  :  3096
 total energy-change (2. order) :-0.3213825E-03  (-0.3698234E-05)
 number of electron    2498.0000030 magnetization 
 augmentation part      164.0117079 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3694
  4.4032  2.5325  2.0099  1.4945  1.0319  1.0319  1.1760  1.1760  0.9482  0.9482
  0.9986  0.7906  0.7906  0.6405  0.5690

  free energy =  -0.448586812777E+04  energy without entropy=  -0.448602315692E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   12(  17)  ---------------------------------------



 eigenvalue-minimisations  :  2536
 total energy-change (2. order) :-0.2075886E-03  (-0.1410466E-05)
 number of electron    2498.0000030 magnetization 
 augmentation part      164.0115662 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4154
  4.7970  2.5924  2.3528  1.6420  1.0421  1.0421  1.1956  1.1956  0.9511  0.9511
  1.0567  0.9205  0.9205  0.7704  0.6466  0.5694

  free energy =  -0.448586833536E+04  energy without entropy=  -0.448602335475E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   12(  18)  ---------------------------------------



 eigenvalue-minimisations  :  2552
 total energy-change (2. order) :-0.1393349E-03  (-0.1236798E-05)
 number of electron    2498.0000030 magnetization 
 augmentation part      164.0116579 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4850
  5.4086  2.8079  2.4680  1.9779  1.3498  1.3498  1.0352  1.0352  1.0451  1.0451
  0.9406  0.9406  0.9016  0.9016  0.8232  0.6462  0.5692

  free energy =  -0.448586847470E+04  energy without entropy=  -0.448602348925E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   12(  19)  ---------------------------------------



 eigenvalue-minimisations  :  2496
 total energy-change (2. order) :-0.9142992E-04  (-0.8356196E-06)
 number of electron    2498.0000030 magnetization 
 augmentation part      164.0117651 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5111
  5.6822  3.1807  2.5247  2.0353  1.5103  1.0425  1.0425  1.2403  1.2403  0.9569
  0.9569  0.9127  0.9127  1.0063  0.9442  0.7960  0.6467  0.5693

  free energy =  -0.448586856613E+04  energy without entropy=  -0.448602357075E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   12(  20)  ---------------------------------------



 eigenvalue-minimisations  :  2400
 total energy-change (2. order) :-0.2990910E-04  (-0.3553064E-06)
 number of electron    2498.0000030 magnetization 
 augmentation part      164.0117262 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5203
  5.9210  3.3685  2.5536  1.9243  1.6319  1.3583  1.3583  1.0399  1.0399  1.0458
  1.0458  0.9603  0.9603  0.9053  0.9053  0.8258  0.8258  0.5693  0.6466

  free energy =  -0.448586859604E+04  energy without entropy=  -0.448602359881E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   12(  21)  ---------------------------------------



 eigenvalue-minimisations  :  2344
 total energy-change (2. order) :-0.1371259E-04  (-0.1482717E-06)
 number of electron    2498.0000030 magnetization 
 augmentation part      164.0116591 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5759
  6.3848  3.8258  2.5612  2.2535  1.8746  1.0474  1.0474  1.2434  1.2434  0.9844
  0.9844  1.2204  1.1537  0.9212  0.9212  1.0031  0.8156  0.8156  0.5693  0.6467

  free energy =  -0.448586860975E+04  energy without entropy=  -0.448602360934E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   12(  22)  ---------------------------------------



 eigenvalue-minimisations  :  2328
 total energy-change (2. order) :-0.7512193E-05  (-0.1070826E-06)
 number of electron    2498.0000030 magnetization 
 augmentation part      164.0116591 magnetization 

  free energy =  -0.448586861726E+04  energy without entropy=  -0.448602361531E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.7609       2 -55.9599       3 -55.8174       4 -55.6332       5 -55.6327
       6 -56.1285       7 -58.0261       8 -58.2436       9 -56.0857      10 -55.7490
      11 -55.7718      12 -55.5871      13 -55.5281      14 -55.6902      15 -58.1469
      16 -57.9631      17 -56.4857      18 -55.1341      19 -54.8385      20 -55.3941
      21 -55.8602      22 -55.7649      23 -55.6925      24 -55.7237      25 -55.1680
      26 -54.7202      27 -54.9804      28 -55.0760      29 -60.4838      30 -60.5477
      31 -55.3776      32 -55.5932      33 -55.4893      34 -55.0423      35 -55.3026
      36 -55.8050      37 -57.9075      38 -58.0110      39 -55.8937      40 -55.5178
      41 -55.7814      42 -55.5465      43 -55.5929      44 -55.6876      45 -58.1999
      46 -58.0660      47 -56.6481      48 -55.2384      49 -54.9314      50 -55.4827
      51 -56.0319      52 -55.8515      53 -55.7320      54 -56.0212      55 -55.3029
      56 -54.7460      57 -55.0497      58 -56.5176      59 -60.4870      60 -60.6756
      61 -55.8462      62 -55.9791      63 -55.9004      64 -55.6998      65 -55.7690
      66 -56.1184      67 -57.9013      68 -58.4299      69 -56.0947      70 -55.7815
      71 -55.8689      72 -55.5919      73 -55.4949      74 -55.7538      75 -58.2124
      76 -58.1350      77 -56.5754      78 -55.1457      79 -54.7778      80 -55.5014
      81 -55.9541      82 -55.8836      83 -55.7743      84 -55.8916      85 -55.2323
      86 -54.9069      87 -55.1121      88 -56.5128      89 -60.7681      90 -60.6409
      91 -55.5700      92 -55.7260      93 -55.5574      94 -55.2911      95 -55.3467
      96 -55.8889      97 -57.9668      98 -57.9809      99 -55.9547     100 -55.6624
     101 -55.8010     102 -55.4260     103 -55.4220     104 -55.6563     105 -58.1200
     106 -58.1925     107 -56.6036     108 -55.1051     109 -54.9554     110 -55.3990
     111 -55.9596     112 -55.8060     113 -55.8941     114 -55.9808     115 -55.4622
     116 -55.0130     117 -55.2417     118 -56.6470     119 -60.6071     120 -60.5436
     121 -55.6102     122 -55.7004     123 -55.6011     124 -55.5405     125 -55.5753
     126 -55.9570     127 -57.9500     128 -58.0858     129 -55.8652     130 -55.4929
     131 -55.5646     132 -55.4109     133 -55.3150     134 -55.4734     135 -57.8304
     136 -57.9748     137 -56.5590     138 -55.2122     139 -54.9139     140 -55.4068
     141 -55.9475     142 -55.9971     143 -55.7981     144 -55.7587     145 -55.3004
     146 -54.9708     147 -55.3064     148 -56.4244     149 -60.6370     150 -60.6569
     151 -55.3553     152 -55.4514     153 -55.3003     154 -55.1879     155 -55.2170
     156 -55.6444     157 -57.8171     158 -57.9288     159 -55.5465     160 -55.1794
     161 -55.2971     162 -55.1761     163 -55.1133     164 -55.0107     165 -59.3278
     166 -57.8079     167 -56.5161     168 -55.2083     169 -54.8701     170 -55.5790
     171 -56.0184     172 -55.9312     173 -55.9108     174 -55.7750     175 -55.1203
     176 -54.6680     177 -54.9673     178 -56.3233     179 -60.4290     180 -60.6873
     181 -55.8574     182 -55.9804     183 -55.7762     184 -55.4954     185 -55.5632
     186 -56.1310     187 -57.8936     188 -58.3841     189 -56.0635     190 -55.6559
     191 -55.7370     192 -55.5918     193 -55.4944     194 -55.6360     195 -57.8984
     196 -58.1891     197 -56.4288     198 -55.0003     199 -54.6714     200 -55.2462
     201 -55.8817     202 -55.7790     203 -55.6503     204 -55.7082     205 -55.1998
     206 -54.8353     207 -55.0826     208 -56.4714     209 -60.7719     210 -60.4422
     211 -55.9380     212 -56.1143     213 -55.8226     214 -55.7329     215 -55.6841
     216 -56.2106     217 -58.1719     218 -58.3211     219 -56.0864     220 -55.6984
     221 -55.7839     222 -55.5487     223 -55.4191     224 -55.6371     225 -57.8860
     226 -58.1764     227 -56.5204     228 -55.1346     229 -54.9717     230 -55.2717
     231 -55.8491     232 -55.9961     233 -55.8287     234 -55.5956     235 -55.2071
     236 -54.7839     237 -55.1434     238 -56.5351     239 -60.2246     240 -60.4545
     241 -55.8540     242 -55.8635     243 -55.6983     244 -55.6510     245 -55.6548
     246 -56.0388     247 -58.2846     248 -58.0168     249 -56.0754     250 -55.7444
     251 -55.8201     252 -55.6277     253 -55.5763     254 -55.6975     255 -58.1168
     256 -58.0058     257 -56.8066     258 -55.4818     259 -55.3726     260 -55.7092
     261 -55.9951     262 -56.2170     263 -55.9030     264 -55.9034     265 -55.4450
     266 -54.8206     267 -55.5308     268 -56.4803     269 -60.5207     270 -60.6886
     271 -55.7468     272 -55.7617     273 -55.5910     274 -55.6408     275 -55.5719
     276 -55.9807     277 -58.3423     278 -57.7974     279 -55.6531     280 -55.3875
     281 -55.5307     282 -55.2491     283 -55.2130     284 -55.4432     285 -58.4057
     286 -57.9836     287 -56.8495     288 -55.5192     289 -55.0614     290 -55.9699
     291 -56.0349     292 -55.9601     293 -55.7782     294 -56.1031     295 -55.2925
     296 -54.8018     297 -54.9799     298 -56.5343     299 -60.6506     300 -60.7670
     301 -55.6521     302 -55.7809     303 -55.6465     304 -55.4554     305 -55.4861
     306 -55.9316     307 -57.9935     308 -58.1147     309 -55.9365     310 -55.5634
     311 -55.6645     312 -55.4802     313 -55.4309     314 -55.5978     315 -57.9310
     316 -58.0552     317 -56.6489     318 -55.2726     319 -54.9957     320 -55.4420
     321 -55.9860     322 -56.0060     323 -55.8876     324 -56.0056     325 -55.2905
     326 -55.1501     327 -55.2191     328 -56.5549     329 -60.8274     330 -60.5412
     331 -55.4389     332 -55.4944     333 -55.3371     334 -55.2989     335 -55.2864
     336 -55.6972     337 -57.8042     338 -57.8983     339 -55.4534     340 -55.0983
     341 -55.1718     342 -55.0884     343 -55.0671     344 -54.9091     345 -60.0408
     346 -57.6281     347 -56.3311     348 -54.9282     349 -54.7554     350 -55.4740
     351 -55.8693     352 -55.7288     353 -55.6342     354 -55.6389     355 -55.1347
     356 -54.5723     357 -54.8951     358 -56.3701     359 -60.3491     360 -60.5363
     361 -38.7723     362 -38.6592     363 -38.6070     364 -38.8191     365 -38.5761
     366 -38.5024     367 -38.2883     368 -38.3092     369 -38.4302     370 -38.4194
     371 -38.4564     372 -38.1838     373 -38.6756     374 -38.2315     375 -38.3083
     376 -38.6469     377 -38.5318     378 -38.6719     379 -38.2223     380 -38.1292
     381 -38.3857     382 -38.1449     383 -38.1525     384 -38.0414     385 -38.8705
     386 -38.5483     387 -38.6684     388 -38.7720     389 -38.5511     390 -38.3932
     391 -38.2873     392 -38.1870     393 -38.6952     394 -38.6181     395 -38.3966
     396 -38.2668     397 -38.6007     398 -38.1977     399 -38.3076     400 -38.7078
     401 -38.3045     402 -38.7287     403 -37.9973     404 -37.9771     405 -38.1988
     406 -38.4643     407 -38.0212     408 -37.8276     409 -38.5718     410 -38.5553
     411 -38.5861     412 -38.4984     413 -38.4749     414 -38.3103     415 -38.3303
     416 -38.5624     417 -38.3583     418 -38.6208     419 -38.5963     420 -38.3807
     421 -38.2987     422 -38.0680     423 -38.1665     424 -38.5078     425 -38.2117
     426 -38.6039     427 -38.0909     428 -38.1190     429 -38.7476     430 -38.1430
     431 -38.0786     432 -37.5364     433 -38.6620     434 -38.1529     435 -38.4666
     436 -38.7237     437 -38.5076     438 -38.5439     439 -38.3591     440 -38.2667
     441 -38.3117     442 -38.6473     443 -38.1453     444 -37.8213     445 -38.7404
     446 -38.7131     447 -38.5598     448 -38.5964     449 -38.4301     450 -38.2343
     451 -37.9901     452 -38.1459     453 -38.1375     454 -38.3360     455 -37.7679
     456 -37.5596     457 -38.8138     458 -38.6629     459 -38.6038     460 -38.8145
     461 -38.6361     462 -38.6438     463 -40.1230     464 -38.7212     465 -38.4828
     466 -38.1274     467 -37.8136     468 -38.5204     469 -38.7903     470 -38.7505
     471 -38.5492     472 -38.6422     473 -38.3701     474 -38.3978     475 -38.5944
     476 -38.3307     477 -39.0418     478 -38.3039     479 -38.4448     480 -38.0078
     481 -38.6824     482 -38.6241     483 -38.4388     484 -38.6344     485 -38.4212
     486 -38.4310     487 -38.4693     488 -38.6033     489 -38.4183     490 -38.7709
     491 -38.7524     492 -38.4579     493 -38.6350     494 -38.1145     495 -38.1859
     496 -38.6686     497 -38.0741     498 -38.3290     499 -38.1438     500 -37.9181
     501 -38.5944     502 -38.1796     503 -37.9928     504 -37.7807     505 -38.4021
     506 -40.7519     507 -71.9076     508 -71.6232     509 -71.5019     510 -71.9374
     511 -72.2258     512 -71.5853     513 -71.6433     514 -72.0161     515 -71.7781
     516 -71.6458     517 -71.5523     518 -71.0500     519 -71.7771     520 -71.6991
     521 -71.7513     522 -71.6294     523 -71.8417     524 -71.8426     525 -71.3655
     526 -71.8392     527 -71.7540     528 -71.6731     529 -71.4150     530 -70.7802
     531 -76.7203     532 -76.6513     533 -76.4315     534 -76.9919     535 -76.6128
     536 -76.8684     537 -76.2549     538 -77.1064     539 -77.1077     540 -76.1736
     541 -76.6777     542 -77.0747     543 -76.3999     544 -76.7213     545 -76.5007
     546 -76.8646     547 -76.7628     548 -76.7608     549 -76.8137     550 -76.5432
     551 -76.6842     552 -76.5328     553 -76.4746     554 -79.7675     555 -77.2086
     556 -76.3967     557 -76.9900     558 -76.6399     559 -76.8689     560 -76.8441
     561 -76.8713     562 -76.6610     563 -76.1574     564 -77.0651     565 -76.5881
     566 -76.9637     567 -76.2722     568 -77.2639     569 -76.3206     570 -77.7852
     571 -76.6854     572 -76.7062     573 -76.8614     574 -76.6592     575 -76.6351
     576 -76.3751     577 -76.2838     578 -80.7442     579 -82.3109     580 -82.8326
     581 -82.2013     582 -81.8981     583 -82.4638     584 -82.6381     585 -82.6933
     586 -82.6544     587 -82.0080     588 -81.9519     589 -81.9613     590 -82.2893
     591 -82.6496     592 -82.3328     593 -82.2843     594 -82.3397     595 -82.9645
     596 -82.9918     597 -82.6412     598 -82.4996     599 -81.8558     600 -83.1215
     601 -82.1880     602 -80.8799     603 -82.8777     604 -82.6842     605 -82.2765
     606 -82.5236     607 -82.9941     608 -82.9756     609 -83.2665     610 -82.2097
     611 -81.9717     612 -81.7187     613 -82.0888     614 -82.6102     615 -82.3896
     616 -82.3281     617 -82.1226     618 -83.7453     619 -82.7416     620 -82.4061
     621 -82.4631     622 -82.2016     623 -82.2352     624 -82.0631     625 -82.6493
     626 -81.9103     627 -82.3216     628 -82.8643     629 -82.7199     630 -82.2773
     631 -81.8628     632 -82.5582     633 -82.2434     634 -83.4133     635 -82.2495
     636 -82.0010     637 -82.6792     638 -82.4018     639 -82.7570     640 -82.2272
     641 -82.0932     642 -82.5068     643 -83.1284     644 -82.8208     645 -82.3854
     646 -82.6112     647 -82.1092     648 -81.7608     649 -82.4185     650 -82.4355
 
 
 
 E-fermi :  -1.3455     XC(G=0):  -6.3253     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -30.3492      2.00000
      2     -29.7790      2.00000
      3     -29.6386      2.00000
      4     -29.5726      2.00000
      5     -29.4521      2.00000
      6     -29.4105      2.00000
      7     -29.2574      2.00000
      8     -29.2467      2.00000
      9     -29.2398      2.00000
     10     -29.1417      2.00000
     11     -28.9988      2.00000
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   1162      -2.8165      2.00000
   1163      -2.7981      2.00000
   1164      -2.7931      2.00000
   1165      -2.7761      2.00000
   1166      -2.7752      2.00000
   1167      -2.7535      2.00000
   1168      -2.7515      2.00000
   1169      -2.7478      2.00000
   1170      -2.7268      2.00000
   1171      -2.7193      2.00000
   1172      -2.7144      2.00000
   1173      -2.7023      2.00000
   1174      -2.7000      2.00000
   1175      -2.6856      2.00000
   1176      -2.6714      2.00000
   1177      -2.6609      2.00000
   1178      -2.6305      2.00000
   1179      -2.6248      2.00000
   1180      -2.6038      2.00000
   1181      -2.5971      2.00000
   1182      -2.5755      2.00000
   1183      -2.5678      2.00000
   1184      -2.5452      2.00000
   1185      -2.5184      2.00000
   1186      -2.5158      2.00000
   1187      -2.5074      2.00000
   1188      -2.4988      2.00000
   1189      -2.4901      2.00000
   1190      -2.4850      2.00000
   1191      -2.4760      2.00000
   1192      -2.4551      2.00000
   1193      -2.4438      2.00000
   1194      -2.4364      2.00000
   1195      -2.4317      2.00000
   1196      -2.4208      2.00000
   1197      -2.4126      2.00000
   1198      -2.3908      2.00000
   1199      -2.3867      2.00000
   1200      -2.3746      2.00000
   1201      -2.3525      2.00000
   1202      -2.3510      2.00000
   1203      -2.3423      2.00000
   1204      -2.3295      2.00000
   1205      -2.3276      2.00000
   1206      -2.3173      2.00000
   1207      -2.3120      2.00000
   1208      -2.3080      2.00000
   1209      -2.2981      2.00000
   1210      -2.2874      2.00000
   1211      -2.2797      2.00000
   1212      -2.2782      2.00000
   1213      -2.2729      2.00000
   1214      -2.2718      2.00000
   1215      -2.2631      2.00000
   1216      -2.2559      2.00000
   1217      -2.2471      2.00000
   1218      -2.2281      2.00000
   1219      -2.2206      2.00000
   1220      -2.2109      2.00000
   1221      -2.1950      2.00000
   1222      -2.1854      2.00000
   1223      -2.1784      2.00000
   1224      -2.1676      2.00000
   1225      -2.1503      2.00000
   1226      -2.1396      2.00000
   1227      -2.1106      2.00000
   1228      -2.1045      2.00000
   1229      -2.0649      2.00000
   1230      -2.0564      2.00001
   1231      -2.0260      2.00002
   1232      -2.0101      2.00003
   1233      -1.9114      2.00047
   1234      -1.9009      2.00062
   1235      -1.8864      2.00088
   1236      -1.8373      2.00277
   1237      -1.7692      2.01070
   1238      -1.7088      2.02759
   1239      -1.6753      2.04160
   1240      -1.6565      2.05025
   1241      -1.6111      2.06807
   1242      -1.6000      2.07025
   1243      -1.5724      2.06810
   1244      -1.5603      2.06242
   1245      -1.5227      2.01792
   1246      -1.5084      1.98735
   1247      -1.4925      1.94318
   1248      -1.4827      1.90980
   1249      -1.4450      1.73796
   1250       0.1350     -0.00000
   1251       0.1487     -0.00000
   1252       0.1776     -0.00000
   1253       0.2168     -0.00000
   1254       0.2924     -0.00000
   1255       0.4807     -0.00000
   1256       0.5002     -0.00000
   1257       0.5393     -0.00000
   1258       0.6079     -0.00000
   1259       0.6169     -0.00000
   1260       0.6884     -0.00000
   1261       0.7057     -0.00000
   1262       0.7351     -0.00000
   1263       0.7653     -0.00000
   1264       0.8065     -0.00000
   1265       0.8398     -0.00000
   1266       0.8643     -0.00000
   1267       0.9040     -0.00000
   1268       0.9501     -0.00000
   1269       0.9698     -0.00000
   1270       0.9927     -0.00000
   1271       1.0142     -0.00000
   1272       1.0422     -0.00000
   1273       1.0657     -0.00000
   1274       1.0874     -0.00000
   1275       1.1014     -0.00000
   1276       1.1151     -0.00000
   1277       1.1588     -0.00000
   1278       1.1651     -0.00000
   1279       1.1779     -0.00000
   1280       1.2024     -0.00000
   1281       1.2133     -0.00000
   1282       1.2233     -0.00000
   1283       1.2603     -0.00000
   1284       1.2779     -0.00000
   1285       1.3158     -0.00000
   1286       1.3278     -0.00000
   1287       1.4425     -0.00000
   1288       1.4445     -0.00000
   1289       1.4803     -0.00000
   1290       1.5295     -0.00000
   1291       1.5597     -0.00000
   1292       1.5925     -0.00000
   1293       1.6122     -0.00000
   1294       1.6331     -0.00000
   1295       1.6553     -0.00000
   1296       1.6904     -0.00000
   1297       1.7793     -0.00000
   1298       1.7896     -0.00000
   1299       1.8171     -0.00000
   1300       1.8353     -0.00000
   1301       1.8620     -0.00000
   1302       1.9650     -0.00000
   1303       1.9674     -0.00000
   1304       1.9820     -0.00000
   1305       1.9874     -0.00000
   1306       2.0316     -0.00000
   1307       2.0362     -0.00000
   1308       2.0555     -0.00000
   1309       2.0596     -0.00000
   1310       2.0949     -0.00000
   1311       2.0978     -0.00000
   1312       2.1447     -0.00000
   1313       2.1720     -0.00000
   1314       2.2032     -0.00000
   1315       2.2174     -0.00000
   1316       2.2375     -0.00000
   1317       2.2640     -0.00000
   1318       2.2701     -0.00000
   1319       2.2979     -0.00000
   1320       2.3393     -0.00000
   1321       2.3543     -0.00000
   1322       2.3855     -0.00000
   1323       2.4455     -0.00000
   1324       2.5195     -0.00000
   1325       2.5381     -0.00000
   1326       2.5481     -0.00000
   1327       2.5777     -0.00000
   1328       2.6061     -0.00000
   1329       2.6238     -0.00000
   1330       2.6459     -0.00000
   1331       2.6520     -0.00000
   1332       2.6729     -0.00000
   1333       2.6868     -0.00000
   1334       2.7190     -0.00000
   1335       2.7513     -0.00000
   1336       2.7645     -0.00000
   1337       2.7745     -0.00000
   1338       2.7955     -0.00000
   1339       2.8093     -0.00000
   1340       2.8545     -0.00000
   1341       2.8879     -0.00000
   1342       2.9006     -0.00000
   1343       2.9204     -0.00000
   1344       2.9472     -0.00000
   1345       2.9955     -0.00000
   1346       3.0200     -0.00000
   1347       3.0352     -0.00000
   1348       3.0606     -0.00000
   1349       3.0937     -0.00000
   1350       3.1101     -0.00000
   1351       3.1430     -0.00000
   1352       3.1689     -0.00000
   1353       3.1743     -0.00000
   1354       3.2164     -0.00000
   1355       3.2322     -0.00000
   1356       3.2516     -0.00000
   1357       3.2542     -0.00000
   1358       3.3017     -0.00000
   1359       3.3413     -0.00000
   1360       3.3759     -0.00000
   1361       3.3917     -0.00000
   1362       3.4267     -0.00000
   1363       3.4506     -0.00000
   1364       3.5111     -0.00000
   1365       3.6135     -0.00000
   1366       3.6353     -0.00000
   1367       3.6673     -0.00000
   1368       3.6835     -0.00000
   1369       3.7309     -0.00000
   1370       3.7565     -0.00000
   1371       3.7818     -0.00000
   1372       3.7906     -0.00000
   1373       3.8020     -0.00000
   1374       3.8196     -0.00000
   1375       3.8368     -0.00000
   1376       3.8749     -0.00000
   1377       3.9008     -0.00000
   1378       3.9297     -0.00000
   1379       3.9662     -0.00000
   1380       3.9888      0.00000
   1381       4.0174      0.00000
   1382       4.0361      0.00000
   1383       4.0424      0.00000
   1384       4.0615      0.00000
   1385       4.0664      0.00000
   1386       4.0825      0.00000
   1387       4.0908      0.00000
   1388       4.1179      0.00000
   1389       4.1372      0.00000
   1390       4.1441      0.00000
   1391       4.1685      0.00000
   1392       4.1830      0.00000
   1393       4.1865      0.00000
   1394       4.1991      0.00000
   1395       4.2078      0.00000
   1396       4.2236      0.00000
   1397       4.2492      0.00000
   1398       4.2571      0.00000
   1399       4.2693      0.00000
   1400       4.2870      0.00000
   1401       4.2950      0.00000
   1402       4.3035      0.00000
   1403       4.3300      0.00000
   1404       4.3377      0.00000
   1405       4.3496      0.00000
   1406       4.3616      0.00000
   1407       4.3684      0.00000
   1408       4.3873      0.00000
   1409       4.3913      0.00000
   1410       4.3987      0.00000
   1411       4.4153      0.00000
   1412       4.4178      0.00000
   1413       4.4390      0.00000
   1414       4.4549      0.00000
   1415       4.4699      0.00000
   1416       4.4899      0.00000
   1417       4.4990      0.00000
   1418       4.5080      0.00000
   1419       4.5186      0.00000
   1420       4.5308      0.00000
   1421       4.5422      0.00000
   1422       4.5519      0.00000
   1423       4.5594      0.00000
   1424       4.5804      0.00000
   1425       4.5936      0.00000
   1426       4.5962      0.00000
   1427       4.6076      0.00000
   1428       4.6220      0.00000
   1429       4.6338      0.00000
   1430       4.6444      0.00000
   1431       4.6615      0.00000
   1432       4.6806      0.00000
   1433       4.6963      0.00000
   1434       4.7039      0.00000
   1435       4.7106      0.00000
   1436       4.7160      0.00000
   1437       4.7248      0.00000
   1438       4.7311      0.00000
   1439       4.7473      0.00000
   1440       4.7591      0.00000
   1441       4.7652      0.00000
   1442       4.7710      0.00000
   1443       4.7830      0.00000
   1444       4.7951      0.00000
   1445       4.8067      0.00000
   1446       4.8141      0.00000
   1447       4.8158      0.00000
   1448       4.8334      0.00000
   1449       4.8495      0.00000
   1450       4.8600      0.00000
   1451       4.8671      0.00000
   1452       4.8902      0.00000
   1453       4.8974      0.00000
   1454       4.9075      0.00000
   1455       4.9136      0.00000
   1456       4.9315      0.00000
   1457       4.9442      0.00000
   1458       4.9508      0.00000
   1459       4.9560      0.00000
   1460       4.9753      0.00000
   1461       4.9831      0.00000
   1462       4.9885      0.00000
   1463       4.9947      0.00000
   1464       5.0087      0.00000
   1465       5.0374      0.00000
   1466       5.0453      0.00000
   1467       5.0500      0.00000
   1468       5.0589      0.00000
   1469       5.0727      0.00000
   1470       5.0854      0.00000
   1471       5.1049      0.00000
   1472       5.1141      0.00000
   1473       5.1298      0.00000
   1474       5.1365      0.00000
   1475       5.1446      0.00000
   1476       5.1672      0.00000
   1477       5.1837      0.00000
   1478       5.1975      0.00000
   1479       5.2045      0.00000
   1480       5.2199      0.00000
   1481       5.2395      0.00000
   1482       5.2488      0.00000
   1483       5.2598      0.00000
   1484       5.2836      0.00000
   1485       5.2839      0.00000
   1486       5.2978      0.00000
   1487       5.3222      0.00000
   1488       5.3349      0.00000
   1489       5.3401      0.00000
   1490       5.3594      0.00000
   1491       5.3778      0.00000
   1492       5.3905      0.00000
   1493       5.3979      0.00000
   1494       5.4116      0.00000
   1495       5.4218      0.00000
   1496       5.4307      0.00000
   1497       5.4527      0.00000
   1498       5.4606      0.00000
   1499       5.4722      0.00000
   1500       5.4865      0.00000
   1501       5.4961      0.00000
   1502       5.5015      0.00000
   1503       5.5225      0.00000
   1504       5.5267      0.00000
   1505       5.5474      0.00000
   1506       5.5548      0.00000
   1507       5.5809      0.00000
   1508       5.5914      0.00000
   1509       5.5993      0.00000
   1510       5.6214      0.00000
   1511       5.6216      0.00000
   1512       5.6275      0.00000
   1513       5.6403      0.00000
   1514       5.6454      0.00000
   1515       5.6574      0.00000
   1516       5.6728      0.00000
   1517       5.6833      0.00000
   1518       5.6900      0.00000
   1519       5.6976      0.00000
   1520       5.7086      0.00000
   1521       5.7190      0.00000
   1522       5.7321      0.00000
   1523       5.7389      0.00000
   1524       5.7535      0.00000
   1525       5.7629      0.00000
   1526       5.7891      0.00000
   1527       5.7954      0.00000
   1528       5.8014      0.00000
   1529       5.8182      0.00000
   1530       5.8346      0.00000
   1531       5.8458      0.00000
   1532       5.8560      0.00000
   1533       5.8589      0.00000
   1534       5.8686      0.00000
   1535       5.8799      0.00000
   1536       5.8878      0.00000
   1537       5.8932      0.00000
   1538       5.8999      0.00000
   1539       5.9073      0.00000
   1540       5.9169      0.00000
   1541       5.9277      0.00000
   1542       5.9307      0.00000
   1543       5.9405      0.00000
   1544       5.9553      0.00000
   1545       5.9615      0.00000
   1546       5.9772      0.00000
   1547       5.9829      0.00000
   1548       6.0062      0.00000
   1549       6.0223      0.00000
   1550       6.0315      0.00000
   1551       6.0342      0.00000
   1552       6.0474      0.00000
   1553       6.0558      0.00000
   1554       6.0724      0.00000
   1555       6.0778      0.00000
   1556       6.0803      0.00000
   1557       6.0996      0.00000
   1558       6.1113      0.00000
   1559       6.1182      0.00000
   1560       6.1305      0.00000
   1561       6.1382      0.00000
   1562       6.1553      0.00000
   1563       6.1649      0.00000
   1564       6.1784      0.00000
   1565       6.1855      0.00000
   1566       6.1979      0.00000
   1567       6.2011      0.00000
   1568       6.2021      0.00000
   1569       6.2138      0.00000
   1570       6.2210      0.00000
   1571       6.2282      0.00000
   1572       6.2416      0.00000
   1573       6.2512      0.00000
   1574       6.2751      0.00000
   1575       6.2985      0.00000
   1576       6.3142      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.073  13.393  -0.000   0.002  -0.000  -0.000  -0.007   0.001
 13.393  17.804  -0.000   0.002  -0.000  -0.000  -0.009   0.001
 -0.000  -0.000  -4.216   0.002  -0.000   8.245  -0.003   0.000
  0.002   0.002   0.002  -4.219   0.001  -0.003   8.248  -0.002
 -0.000  -0.000  -0.000   0.001  -4.209   0.000  -0.002   8.235
 -0.000  -0.000   8.245  -0.003   0.000 -18.251   0.006  -0.001
 -0.007  -0.009  -0.003   8.248  -0.002   0.006 -18.254   0.002
  0.001   0.001   0.000  -0.002   8.235  -0.001   0.002 -18.240
 total augmentation occupancy for first ion, spin component:           1
  8.755  -3.983   0.227   0.252  -0.026   0.030   0.044  -0.005
 -3.983   1.887  -0.119  -0.152   0.010  -0.013  -0.025   0.003
  0.227  -0.119   1.777  -0.022   0.007   0.168  -0.008   0.001
  0.252  -0.152  -0.022   1.970  -0.093  -0.007   0.187  -0.013
 -0.026   0.010   0.007  -0.093   1.248   0.001  -0.013   0.083
  0.030  -0.013   0.168  -0.007   0.001   0.018  -0.001   0.000
  0.044  -0.025  -0.008   0.187  -0.013  -0.001   0.019  -0.002
 -0.005   0.003   0.001  -0.013   0.083   0.000  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -58752.02851121891.98177 43985.14446-12666.13885  6344.01606 30943.02710
  Hartree -3403.74768148782.41743 82015.75462-13151.84201  4091.02725 25288.87940
  E(xc)  -10775.38172-10641.11025-10680.81654     2.93906     8.70162    28.40284
  Local   28778.31868************************ 25843.32343-10402.10385-55641.57857
  n-local -5911.23150 -5999.03000 -6084.85624     7.34056    15.55906   -55.94324
  augment  1487.58190  1534.81862  1477.46950     1.65575     9.42730    -4.70883
  Kinetic 45895.69690 43373.90590 44139.68871   -69.33716  -131.14178  -518.23002
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      227.0667998   -260.1946298    283.2951603    -32.0592342    -64.5143386     39.8486694
  in kB       37.8652064    -43.3895372     47.2417356     -5.3461339    -10.7582824      6.6450846
  external PRESSURE =      13.9058016 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.326E+03 -.124E+03 0.262E+03   0.326E+03 0.124E+03 -.265E+03   0.360E+00 -.683E+00 0.916E+00   0.932E-04 0.653E-04 -.536E-04
   -.296E+03 -.150E+03 0.342E+02   0.296E+03 0.151E+03 -.327E+02   -.821E-01 -.120E+01 0.538E-01   0.495E-04 0.360E-04 -.937E-04
   -.252E+03 -.153E+03 -.496E+01   0.253E+03 0.155E+03 0.716E+01   -.217E-01 -.394E+00 -.181E+01   0.412E-04 0.738E-05 -.114E-03
   -.293E+03 -.113E+03 0.365E+03   0.293E+03 0.113E+03 -.367E+03   -.287E-02 0.196E+00 0.213E+01   0.157E-03 0.690E-04 -.742E-04
   -.245E+03 -.169E+03 0.324E+03   0.245E+03 0.170E+03 -.326E+03   0.159E+00 -.504E-01 0.820E+00   0.129E-03 0.271E-04 -.109E-03
   -.210E+03 -.141E+03 0.173E+03   0.210E+03 0.141E+03 -.173E+03   0.543E+00 -.604E-01 0.190E+00   0.626E-04 -.596E-05 -.108E-03
   -.353E+03 -.138E+03 0.176E+03   0.353E+03 0.143E+03 -.177E+03   0.440E+00 -.426E+01 0.479E+00   0.525E-04 0.632E-04 -.273E-05
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 -----------------------------------------------------------------------------------------------
   0.243E+02 0.792E+02 0.543E+02   -.122E-11 0.853E-12 0.165E-11   -.243E+02 -.792E+02 -.543E+02   0.124E-02 -.114E-02 0.457E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.67958      3.15952      1.42976         0.787396     -0.937835     -1.769046
     12.52647      3.58763      2.69884         0.229630     -0.523189      1.563821
     12.53953      4.94105      3.01138         0.129738      1.932371      0.383359
     12.82175      4.06433      0.37857         0.216676     -0.316876     -0.213286
     12.85587      5.41504      0.67593         0.231080      1.255330     -0.285405
     12.71669      5.93931      1.98715         0.326111     -0.147004      0.308119
     12.68603      1.65806      1.40294         1.035328      1.379057     -0.767521
     12.28470      2.33797      3.54213         0.652329      1.413748      1.496472
     12.82887      7.46772      2.21950         0.178996     -0.066883      0.247733
     12.73754      8.11372      3.49684         0.055559     -1.629500     -0.288134
     12.99587      9.46898      3.64366         0.353584      0.091157      1.336599
     13.13653      8.34504      1.14246        -0.013165     -1.275027     -0.673597
     13.33069      9.70594      1.29453         0.053185      0.527395     -0.468498
     13.25341     10.25544      2.56529         0.499488      1.153300     -0.524263
     13.45596     11.68718      3.02811         0.128246     -3.091521      0.566021
     13.09117     10.35577      4.90268        -0.236580     -2.792374      0.542232
     13.50143     12.84746      5.34875         0.052002     -2.316703     -0.663344
     13.15272     12.76508      6.69150         0.411855     -2.076161     -1.476797
     13.24396     13.87267      7.42557        -0.079082      0.977598      3.468302
     13.79928     14.11300      4.88012         0.758077      0.046382     -0.912364
     13.83912     15.22492      5.70639         0.949875      1.922851      0.369992
     13.57188     15.18532      7.09524         0.629206     -0.593082     -0.690300
     13.65131     16.29355      8.08615         0.285987     -0.325718      0.157920
     13.20267     16.20444      9.41584        -0.056285     -0.040708      0.317885
     13.35076     17.26267     10.30717         0.185902      0.248099     -0.001348
     14.19172     17.54286      7.80049         0.591377     -0.238123     -1.252287
     14.31281     18.61894      8.61649         0.541673      1.126180      0.133839
     13.91239     18.47344      9.90910        -0.133604      0.199045      1.291428
     12.55899     14.98602      9.93290        -1.690767     -0.114793      2.492405
     14.31963     16.53433      5.11168        -0.493419      0.706132     -1.792083
      9.71912      3.84125      4.79200        -0.618167     -1.742775      1.602378
      9.92048      4.75495      3.82947         0.021101      0.346911     -1.774916
     10.03666      6.09621      4.13940        -0.097258      1.410673      0.810380
      9.57959      4.20305      6.12734         0.205429      0.076223     -0.360538
      9.68234      5.53953      6.46351         0.018540      0.618533      0.816316
      9.94640      6.53907      5.50126         0.046221      0.438266     -0.598553
      9.62765      2.44268      4.23006         0.564492      5.332013     -1.430437
     10.03766      4.01479      2.50420        -0.993707      0.821009      0.880311
     10.09657      8.00403      5.90332        -0.221448      0.289278     -0.392197
     10.37141      9.02676      4.94147        -0.279669     -2.107805     -0.633929
     10.43837     10.34796      5.28214         0.130256      0.239097     -0.820852
      9.92390      8.45736      7.23926        -0.391197     -1.542085     -0.068558
     10.03980      9.78640      7.59215        -0.023665      0.601869      0.139923
     10.30850     10.70295      6.57539        -0.420784      1.537065      1.950090
     10.48880     12.19583      6.66586        -0.506919     -2.291132     -1.583079
     10.82674     11.56341      4.51340        -0.946946     -0.901166     -5.148730
     11.05618     14.03464      4.97230        -0.531046      0.197538     -0.098902
     11.51022     14.39227      3.70261        -0.492703     -0.847338     -0.188325
     11.80479     15.70290      3.45570         0.256308      1.103552     -1.964816
     10.99759     15.10441      5.89388        -0.635006     -0.121904      0.269219
     11.20681     16.45681      5.55051        -0.078249      0.376946      0.211652
     11.58907     16.84344      4.23952         0.338539     -0.330368      0.242732
     12.00148     18.22822      3.79522         0.316500      0.352198     -0.640921
     12.51566     18.59874      2.51740        -0.949598     -0.484148      0.420998
     12.56550     19.97730      2.18243         0.380701      0.184516     -0.639821
     11.86782     19.35144      4.61563        -0.333278     -1.423600      2.328695
     11.99408     20.67311      4.37471         0.531967      1.698654     -0.418342
     12.33163     21.06711      3.07854         0.744858     -0.466603     -0.123645
     12.65760     17.52450      1.40625         2.603464     -0.168551     -3.093221
     10.99849     17.49956      6.63647        -1.722539     -0.627884      2.372840
      9.98180      7.18288     14.59833         0.663222     -2.782341     -1.303230
      9.83822      7.61524     15.84465         0.506454     -0.209510      3.499441
      9.88637      8.95264     16.17872         0.530248      1.936696      0.171751
     10.09575      8.04878     13.56031         0.500342      2.129607     -1.785094
     10.15229      9.45343     13.85235         0.264361     -0.344736     -0.668502
     10.06149      9.95740     15.15891         0.367189      0.262573      0.940275
      9.85246      5.69357     14.66605         1.160704     -1.826253     -7.490922
      9.58153      6.38562     16.72629         0.585725      1.320659      1.319951
     10.17290     11.48963     15.47179         0.303604     -0.348698      0.308951
     10.10599     12.06778     16.78663         0.094646     -1.291082     -0.314302
     10.27999     13.44120     16.99543         0.127508     -0.061672      1.235149
     10.43857     12.41426     14.42710         0.100189     -0.923459     -0.624122
     10.59410     13.77409     14.64386         0.126917      0.417688     -0.416428
     10.48305     14.27135     15.93947         0.485213      1.190438     -0.619218
     10.56179     15.70886     16.40404         0.267056     -2.964270      1.243288
     10.20839     14.30914     18.27822         0.656403     -1.088866     -0.755692
     10.40525     16.86636     18.72361         0.556501     -0.815245     -1.002870
     10.11452     16.80500     20.06335         0.167808     -1.615519     -0.472404
     10.01349     17.96005     20.74828        -0.537487      1.115625      2.892470
     10.58454     18.18656     18.25335         0.727211     -0.557218     -0.623293
     10.53663     19.33458     19.02605         0.889191      1.270089      0.818464
     10.25335     19.30449     20.42613         0.373436     -0.823474     -0.857199
     10.24549     20.43513      0.13756        -0.754340      0.367137      0.728911
      9.79714     20.40317      1.48928        -0.283458     -1.338373      0.846710
      9.77678      0.23461      2.36718        -0.597471     -1.213380     -1.419238
     10.56035      0.50271     21.10697        -0.089245     -0.153740     -1.440203
     10.31423      1.64058      0.57047         0.172373      1.065966     -0.201592
      9.96555      1.52093      1.88722        -0.874325      1.412269      1.623973
      9.46123     19.07371      2.13157         0.008592      0.188613      1.819352
     10.86122     20.65366     18.40977         1.045800      1.875055     -1.885775
      7.11994      7.60181     17.52479        -0.458501     -0.558182      1.090754
      7.33840      8.53327     16.56285        -0.584963     -0.538309     -0.915111
      7.47892      9.86933     16.87518        -0.051928      2.226504      0.448019
      7.06684      7.98858     18.87464        -0.089896     -1.151652     -0.294338
      7.11719      9.32201     19.18220        -0.059814      1.492067      0.989159
      7.33989     10.34915     18.21669        -0.222307     -0.062600     -0.563558
      6.98229      6.24463     16.90214        -0.138686      1.571204      0.213900
      7.41007      7.78091     15.26169        -1.005056      1.666877     -2.571776
      7.36859     11.83525     18.61898        -0.189255      0.132423     -0.565628
      7.61960     12.93107     17.72499        -0.176709     -1.734151     -0.641605
      7.58804     14.24534     18.14784         0.107383      0.548090     -1.473318
      7.07281     12.22666     19.93456        -0.209839     -0.903311      0.521470
      7.04180     13.55627     20.34585         0.198710      0.236622     -0.224416
      7.31237     14.56046     19.42198        -0.742474      0.585252      2.340793
      7.37825     16.05436     19.60640        -0.567089     -1.838064     -0.041195
      7.92326     15.54456     17.48006        -0.503137     -1.005706     -4.130516
      7.87576     18.00970     18.07571        -0.354386      0.659564     -0.322549
      8.47311     18.44293     16.88584        -0.309830     -1.481232     -0.127983
      8.75843     19.76554     16.70567        -0.121243      1.472257     -1.294228
      7.61055     19.07959     18.97793        -1.041288     -0.986598      0.793361
      7.72980     20.43628     18.66081        -0.142623      0.889773     -0.514056
      8.24410     20.88702     17.39867         0.296557     -0.652385      0.650953
      8.58742      1.06262     17.01844         0.385743      0.586687     -0.427935
      8.99138      1.44489     15.72264        -0.197234     -1.115071      0.020941
      9.25257      2.78728     15.37878         0.613081      0.168959      0.076411
      8.65691      2.19829     17.88528        -1.029652     -2.488650      1.952191
      8.89932      3.48692     17.59763         0.478222      2.783301      0.902251
      9.23347      3.85990     16.30089         0.954624     -0.306406     -1.102205
      9.13325      0.40456     14.62400         1.275441     -2.717830     -0.737491
      7.34938      0.21386     19.69674        -2.613170     -0.401190      1.890185
      7.03378     10.84354      6.14838         0.105218     -0.798238     -1.704042
      6.84947     11.31457      7.39609        -0.439286     -0.532463      1.471380
      6.96354     12.65493      7.70009         0.148015      1.703256      0.258266
      7.37715     11.69833      5.10398        -0.060144     -0.139722     -0.284954
      7.50843     13.05324      5.38681         0.153398      1.099000     -0.252833
      7.29533     13.60635      6.68197        -0.135417      0.081651      0.216768
      6.85981      9.34321      6.15255         0.090854      3.319576      1.030428
      6.54444     10.10187      8.26777         0.387800      1.709635     -0.442984
      7.40957     15.12635      6.92227        -0.137432     -0.080484      0.006408
      7.12343     15.77895      8.16141        -0.058608     -1.634325     -0.242263
      7.25338     17.15169      8.27386        -0.353969      0.548098      1.673511
      7.79406     15.99842      5.86104        -0.180079     -1.213290     -0.438126
      7.86696     17.37053      6.00484        -0.109411      0.420661     -0.734639
      7.61457     17.94383      7.24378         0.066686      1.039469     -0.949769
      7.72514     19.38259      7.71779        -0.359233     -2.364954     -0.610707
      7.08964     18.08398      9.47565         0.582245     -1.139531     -2.258888
      7.39491     20.59432      9.91843         0.513497     -0.267730     -0.445043
      6.96743     20.57146     11.23849         0.220748     -2.403421     -1.426198
      6.82709      0.45644     11.89743        -0.978703      1.214176      4.250216
      7.74939      0.63846      9.52711         0.619622     -0.790205     -0.940531
      7.75392      1.75155     10.36268         0.755918      1.182246      1.023940
      7.28316      1.75020     11.70210         0.879713     -0.015292     -0.769979
      7.30991      2.88981     12.71694        -0.332180     -0.800631      1.023108
      6.88210      2.92562     14.08158        -0.723278     -1.693970      0.554319
      6.87275      4.01832     14.94748        -0.990270     -2.212763      0.030833
      7.75911      4.14904     12.47309         0.558378      1.977452     -0.586959
      7.65013      5.32655     13.24720         0.136153     -0.094793      0.071467
      7.19093      5.27470     14.54801        -0.040676      2.113646      0.211565
      6.28036      1.67798     14.65733         0.728179      0.796531      0.810085
      8.30831      3.01979      9.86615         1.135444      1.119446     -2.693192
      4.02469     11.50784     10.75349         0.144519     -1.164965      0.795510
      3.75222     12.37694      9.75007        -0.389100      0.095268     -1.397402
      3.82268     13.74699      9.94080         0.078443      1.415371      0.249526
      4.36146     11.97553     12.02009         0.180331     -0.425995      0.604956
      4.41953     13.34630     12.24743         0.088397      1.034378      0.202916
      4.16451     14.30248     11.21683         0.037300     -0.044768     -0.094936
      3.86845     10.09912     10.24227         0.299974      1.712624      0.779487
      3.37724     11.54747      8.51970         0.722386      0.810088      1.789674
      4.27298     15.81693     11.47424        -0.042400     -0.581999     -0.262659
      4.13493     16.76572     10.42390        -0.225614     -1.884127     -0.054856
      4.23880     18.10097     10.65208        -0.112746      1.787987      0.028203
      4.56247     16.32761     12.77105         0.031230     -1.369112     -0.173386
      4.72505     17.67615     12.98752         0.041084      0.568658     -0.702338
      4.51108     18.53115     11.90481         0.419020      1.114276      1.420407
      4.58956     20.12741     11.99499        -4.632341    -31.055436    -50.954056
      4.30464     19.32262      9.74287        -0.558086     -0.784476      2.081438
      4.67391      0.62188     10.11385        -0.796929     -1.200529     -0.128389
      4.94627      0.94425      8.78953        -0.427086     -0.429160     -0.123539
      5.22651      2.25453      8.47825         0.649232      0.879408     -2.243381
      4.66909      1.73606     10.97829        -0.796874      0.160158      0.235479
      4.88787      3.08091     10.57919         0.015260      0.952245      0.645495
      5.31037      3.42013      9.26445        -0.100425     -0.635706      0.425012
      5.84539      4.79192      8.75433        -0.174817      0.460313     -0.589865
      6.22401      5.10312      7.43522        -0.189600     -0.871654     -0.495867
      6.46271      6.43483      7.05472         0.537962      1.332272      0.075042
      5.84549      5.98549      9.51109        -1.620048     -4.889550      3.356050
      6.03454      7.22925      9.21377         0.800361      6.191429     -0.376468
      6.34414      7.59165      7.89816         0.740027     -1.126423     -0.874276
      6.21720      3.97763      6.35106         2.770087      0.265918     -1.854355
      4.79898      4.15713     11.67144        -2.490176     -0.969492      2.490850
      1.39641     14.36241      0.65423        -0.550329     -1.342930     -0.187966
      1.85740     14.76663      1.86332         0.419409     -0.793925      1.361404
      1.76176     16.11047      2.21722        -0.305781      1.750222      0.673613
      0.82070     15.26683     21.03279        -0.549568     -1.205322     -2.010547
      0.84754     16.59491      0.03262        -0.542522      2.364635      0.250500
      1.25460     17.11322      1.30400        -0.420043     -0.178440     -0.066294
      1.56845     12.88008      0.54087        -3.986274     -0.450897     -2.344151
      2.46208     13.49896      2.54636        -1.263159      0.629225     -2.176658
      1.08643     18.63908      1.52255         0.115303     -0.407638      0.701223
      1.42636     19.33083      2.72900        -0.199671     -1.361690     -0.679377
      1.28133     20.70548      2.79178         0.678992     -0.182843      2.411935
      0.57160     19.46529      0.48721        -0.559722     -0.573830     -1.233396
      0.40707     20.84393      0.58324         0.151941      0.014087      0.796259
      0.78582      0.18624      1.79631        -1.344713      1.000988     -2.550122
      0.82425      1.65087      2.13510        -0.407767     -2.470063     -0.545623
      1.66136      0.42009      3.90486        -0.915332     -0.779938     -1.816613
      1.54916      2.97630      4.11165        -0.096065     -2.051379     -0.132149
      2.08449      2.91323      5.37949        -0.404101      0.321507     -0.876491
      2.23722      4.11785      5.99332         0.812902     -0.443577      2.453861
      1.19787      4.22766      3.65075        -0.637412      0.666545     -0.734244
      1.42588      5.40660      4.36080        -0.606848      0.870092     -0.020246
      2.04710      5.44053      5.63039        -1.089487      0.185454     -0.934283
      2.32886      6.66818      6.43492         0.811832     -0.908043      2.513074
      2.96277      6.64026      7.69515        -0.693705     -2.790184      1.228982
      3.34565      7.71552      8.49824        -0.694569      0.652837     -0.963530
      2.19687      8.00588      6.13978        -1.493512     -0.863069     -3.259514
      2.62283      9.09801      6.76940         0.318289      3.856084      0.709513
      3.17795      9.03763      8.04425         0.298115     -0.158967      1.094957
      3.14099      5.25949      8.39761        -1.122155      0.894708     -4.143639
      0.89283      6.66908      3.78343        -1.020140      1.902494     -1.946276
      4.60295     14.05077      0.74734         0.668906     -0.730629      0.327427
      3.90545     14.97336      0.01707        -0.382422     -0.416622     -1.391584
      3.91951     16.32725      0.35888         0.106882      1.711537      0.152253
      5.39486     14.49730      1.80707         0.288453     -0.618319      0.287085
      5.41913     15.84276      2.14702         0.468150      1.190525      0.770082
      4.67655     16.85593      1.47138        -0.047880     -0.277102     -0.486198
      4.44039     12.66376      0.16607         0.685314      0.771698      0.129055
      3.22777     14.15322     20.15288         0.332885     -0.001485     -0.972439
      4.75179     18.35784      1.91236         0.110390      0.398026      0.013240
      4.06981     19.47141      1.30638        -0.211624     -1.305043     -0.745389
      4.20252     20.78512      1.77000        -0.542577      0.812903     -0.800421
      5.58932     18.75808      3.00496         0.192576     -1.097425      0.008310
      5.72883     20.07266      3.45028         0.226625      0.195532      0.422834
      5.00251     21.08743      2.82126         0.732259      0.287328      0.899142
      4.97192      1.32451      3.08831        -0.797297     -2.765476     -1.589856
      3.60893      0.87958      1.31758         0.798141     -1.012678      0.396737
      3.79492      3.36024      2.15904        -0.477490     -0.580589     -1.228779
      2.93898      3.91316      1.19864         0.343295      0.828551      0.650530
      2.66822      5.29542      1.26683        -0.518976     -0.262613     -2.576691
      4.22542      4.30928      3.07861         1.190531     -0.074793      1.054667
      4.02732      5.70142      2.97940         0.284531      0.417292     -0.130818
      3.32128      6.35075      1.93604         0.912118     -0.039727      1.045483
      3.26668      7.94395      1.79221        -1.944277      0.031634     -1.513501
      2.35701      8.60349      0.90595        -0.557527     -1.372781      0.144695
      2.10263      9.94716      0.75356        -0.138909      1.381574      0.923378
      3.62631      8.97275      2.63113         2.868428     -2.405404      3.423544
      3.31902     10.27490      2.68443         0.246545      4.595252      1.634239
      2.56042     10.92731      1.71031        -0.536533     -1.227632     -1.053677
      1.78058      7.62499     21.24083        -2.203322      0.492268     -1.775345
      4.64449      6.54812      4.01410         1.148787      0.399583      2.575284
     18.35971     17.32606     13.29771        -1.462752     -1.097187     -0.524532
     19.38102     17.79568     14.05405         0.694371     -0.385028      0.801455
     19.56855     19.14993     14.22531        -0.210951      1.924647      0.036543
     17.45266     18.18852     12.68883        -0.409191     -0.336244     -0.173599
     17.62294     19.55029     12.86002        -0.338206      1.432924     -0.041881
     18.67737     20.10468     13.63042         0.335437     -0.149971      0.574863
     18.40009     15.82450     13.30821         0.474823      1.669412      1.415432
     20.17681     16.61790     14.49128         3.321041      1.616070      3.727100
     18.81835      0.35859     13.86601        -0.195223     -0.077108     -0.021310
     19.87688      0.96409     14.61577        -0.196589     -1.959253     -0.285903
     19.84471      2.31033     14.89343         1.184350      0.353289      1.357785
     17.80084      1.25074     13.41477        -0.187453     -1.030818     -0.356346
     17.81195      2.60673     13.70744        -0.406062      0.141731     -0.423867
     18.86384      3.11097     14.44571        -1.239443      1.783949     -0.194124
     19.08369      4.52275     14.97366         0.459629     -3.471463      0.046154
     20.68229      3.17944     15.80457         1.851669     -2.713264      0.648795
     20.82659      5.60875     16.51167        -1.181458     -0.325349     -0.252769
      0.82351      5.55430     17.05226         2.250297      1.470672      0.648472
      1.54620      6.77701     17.31262        -7.184158      0.033939      2.000142
     20.31365      6.91932     16.45474        -1.665337      0.309390      0.275249
     20.85650      8.03988     17.11608         1.020984      0.974109      1.081108
      0.94019      8.04182     17.62531        -0.554221     -0.380449      0.034288
      1.68714      9.24191     18.33306         1.357617     -4.519565     -1.121589
      2.95955      9.18150     18.93173         1.852848     -1.506724      0.636964
      3.53300     10.26375     19.61259         2.481321     -1.226503      0.846580
      1.18026     10.39518     18.61650        -5.368669      5.777013     -1.298889
      1.74964     11.62981     19.01215         2.424435     -1.137919      1.208390
      3.07110     11.57109     19.56651        -2.083797      1.601265     -0.090372
      3.74266      7.87349     18.94424         1.138777     -1.425577      0.783656
     20.03618      9.31908     17.23184        -0.568294     -0.798091      0.754192
      2.04833     18.13000     14.12067        -0.202459     -1.215952      0.296321
      1.26856     19.05625     13.50316        -0.867709      0.273323     -0.910493
      1.41133     20.40287     13.80900         0.528418      1.166338      0.223649
      3.07365     18.52350     14.95546         0.601099     -0.349997      0.779279
      3.33733     19.86866     15.15730         0.059636      1.074784      0.549253
      2.47168     20.88032     14.64689        -0.384966      0.321554      0.047302
      1.62466     16.75447     13.73205        -0.486017      2.734452     -1.477865
      0.29983     18.35086     12.54417         0.339245      1.960442      0.133839
      2.66349      1.12303     14.95415        -0.946552     -0.102099     -0.082101
      1.84417      2.14647     14.37174        -0.341113     -3.246417     -0.477853
      2.04963      3.45046     14.62928        -0.440718      2.350201     -0.531434
      3.65689      1.58068     15.84040        -0.002145     -1.017520      0.277536
      3.89963      2.92443     16.09163        -0.447779      0.074922      0.286734
      3.03609      3.80698     15.47306         1.372124      2.493578      0.879118
      3.04852      5.34348     15.61209        -5.100926     -7.094537     -5.590803
      1.29011      4.73269     14.26646        -2.458567     -2.595375     -2.886123
      1.42086      7.19218     14.78935         0.530457     -0.165896     -0.244778
      0.17695      7.52810     14.28886        -0.160222     -0.065324     -1.028075
     21.02896      8.86327     14.27587        -1.294788     -0.374726     -1.313794
      2.04814      8.28150     15.45667         0.663280      0.946437     -0.940667
      1.59786      9.63363     15.36653         0.935450      0.582929      0.203461
      0.41488     10.00855     14.70436        -0.397970     -0.318034      0.104685
     20.98930     11.35438     14.67672        -0.608848      0.349870     -0.214260
     19.68126     11.62866     14.16955        -0.069365     -0.756095     -0.424605
     19.26153     12.96631     13.97011        -0.246129     -0.183906      0.257554
      0.35806     12.53862     15.04933         1.047202     -0.413252      0.893330
     -0.04931     13.84079     14.98865        -0.035249      0.671338      0.290241
     20.00745     14.11525     14.37364        -1.004016     -0.429274      0.314157
     18.78201     10.46504     13.53989        -3.068486      1.099443      0.313775
      2.38268     10.73562     16.04097         3.588000     -0.994086     -0.848815
     16.20797      0.42850      5.13654        -1.599231     -0.968133     -1.467166
     17.03414      0.92249      6.06976         0.773604     -0.554963      1.579016
     17.10066      2.26875      6.37318        -0.284872      1.530610      0.432789
     15.30295      1.26292      4.49386         0.000432      0.020540      0.001638
     15.34206      2.62395      4.78593        -0.538101      0.974887     -0.284485
     16.25471      3.20351      5.69708         0.133683      0.086270      0.377160
     16.45379     20.20706      4.96187        -0.628123      1.826001      0.167445
     17.75402     20.98993      6.63530         0.893839      0.899667      1.531157
     16.28399      4.72168      5.95827         0.022129     -0.114760      0.071016
     17.17410      5.34806      6.88155        -0.165299     -1.563323     -0.293709
     17.12611      6.71219      7.08330         1.199750      0.387956      1.456063
     15.38997      5.61043      5.29198        -0.251145     -1.230572     -0.451000
     15.37482      6.97708      5.52223        -0.464981      0.481615     -0.441810
     16.26635      7.52461      6.43374        -0.756167      1.074646     -0.575897
     16.47583      8.95338      6.89343        -0.066366     -2.470671     -0.589798
     17.87779      7.59326      8.08822        -2.170056     -0.571199     -2.263600
     17.96224     10.11559      8.58745        -0.790204     -0.628835     -0.445055
     18.96215     10.00438      9.53413        -0.701705     -1.099393     -0.732211
     19.47318     11.12120     10.08899         1.692763      1.021242      1.977817
     17.53976     11.44077      8.37145        -0.792957     -0.731157     -0.422701
     18.01761     12.53779      9.06664         0.252532      1.078440      1.043735
     19.07492     12.46485     10.03009        -0.693407     -0.521679     -0.277653
     19.71306     13.58807     10.82030         0.481733     -0.720167      0.094747
     20.89687     13.55383     11.59626         1.825079     -0.860122      0.948709
      0.30988     14.65555     12.18389        -1.041500     -2.660479     -1.448200
     19.26110     14.88192     10.83240        -0.087604      1.121829     -0.150111
     19.86533     16.01906     11.37108        -0.184250      0.278579     -0.860362
     21.07350     15.91401     11.99671         1.632692      1.978847      1.156689
      0.33967     12.24012     11.88275         1.033287     -0.063958      0.308885
     17.38432     13.85069      8.79936        -1.111675      1.669910     -2.377592
     20.20646      1.25938      6.18406         0.869808     -0.753549      0.353172
     19.66563      2.28876      5.48052        -0.270361      0.854241     -1.288095
     19.78450      3.59802      5.88682         0.635971      0.901350      0.957927
     20.80600      1.49911      7.41211         0.524284     -0.865377      0.599804
     20.92530      2.79951      7.86427         0.432161      1.069644      0.851279
     20.44982      3.91235      7.11709        -0.134844      0.330165     -0.425375
     19.96473      0.00055      5.41832         0.944739      0.454445      1.573077
     18.94192      1.71670      4.27053         1.872162      0.883595      2.077502
     20.64807      5.36259      7.54756        -0.291892     -0.511790     -0.340381
     20.23898      6.40574      6.68096        -0.025678     -2.123111      0.378901
     20.45296      7.69078      7.01770         0.022822      2.342318      0.100347
     -0.01932      5.72851      8.78597        -0.255589     -1.810219      0.100360
      0.22999      7.03140      9.12770        -0.357573      1.136432     -0.724721
     21.06564      7.99093      8.17923         1.544327      1.089908      2.643726
     21.22985      9.61996      8.43307       -41.665532    -37.150748    -68.156689
     20.02986      8.99270      6.36813         1.562539     -0.477111      1.775219
     20.24834     11.51858      6.97998         0.040443     -1.876054     -0.999821
     19.45220     11.91763      5.91304         0.202104     -0.525945     -0.067910
     19.18687     13.24721      5.75436        -1.189908      0.855728     -1.884549
     20.76650     12.57898      7.74100         0.768989     -0.093469      0.414591
     20.52903     13.94140      7.46038         0.543026      0.566136      0.194568
     19.65884     14.37112      6.43403         0.054522     -0.212505      0.003431
     19.14139     15.77460      6.18447        -0.237664      0.051588     -0.615823
     18.24494     16.16139      5.16056         0.463482     -0.490578     -0.275736
     17.77223     17.46828      5.03019        -0.112748      0.554235     -0.143289
     19.39974     16.88414      6.98677         1.926066     -0.890882      1.653666
     18.93884     18.15716      6.95229        -0.243320      1.475057      0.060353
     18.05106     18.50014      5.94355        -0.457054      0.584432     -0.088386
     17.80447     15.16051      4.14679        -1.433696      1.114020     -2.332139
     21.20937     14.99563      8.28363         2.139914      0.183097      1.533380
     12.26243      5.31902      4.00581         0.602084     -0.476452     -0.067020
     12.90747      3.74744     20.59580         0.057182     -0.159016      0.084984
     13.01581      6.13578     21.10407        -0.197639     -0.602520      0.372944
     12.42842      7.47870      4.33275         0.335077      0.264993      0.209472
     13.25402      7.90470      0.12815        -0.085088      0.464628      0.564053
     13.55016     10.32168      0.41674        -0.011105      0.014834      0.126126
     13.02940     13.62936      8.45459         0.155678      0.033717     -0.556762
     12.74231     11.84791      7.14447         0.751077      0.254545     -0.210506
     13.91868     14.28832      3.82157         0.546262     -0.142629     -0.138477
     13.03379     17.13943     11.32705        -0.251994     -0.104359      0.450276
     14.42707     17.81256      6.80758         0.544760     -0.130574      0.194461
     14.69382     19.57888      8.19517        -0.183324     -0.621750      0.421395
     10.23305      6.83961      3.37367        -0.116333     -0.031425     -0.312841
      9.35454      3.47000      6.87348         0.180802     -0.276636      0.088862
      9.52109      5.83923      7.52197         0.207994     -0.302127     -0.591574
     10.65094      8.67941      3.94880        -0.566865      0.401231     -0.182641
      9.62276      7.71252      8.00550         0.314104      0.499154     -0.263447
      9.88413     10.08997      8.63244         0.110495      0.114653     -0.145249
     12.29393     15.81326      2.48539        -0.353056     -0.297952      1.011664
     11.78265     13.66217      2.92058        -0.455538      0.301007      0.494067
     10.82761     14.87304      6.93450        -0.379343      0.065561      0.134433
     12.59718     20.20195      1.12166         0.685883      0.052934     -0.014509
     11.70488     19.18926      5.68254         0.050099      0.372299     -1.153171
     11.81267      0.12531      5.19335         0.140490     -0.162640     -0.369517
      9.69307      9.32902     17.18731         0.455568     -0.509143      0.052087
     10.09678      7.78130     12.48684         0.152476     -0.249026      0.608523
     10.29301     10.17130     13.01348        -0.215301     -0.643269      0.385108
      9.81842     11.39999     17.60403         0.366893      0.220305      0.176546
     10.55948     12.02488     13.39311        -0.094673      0.382659      0.556702
     10.82481     14.43269     13.79969        -0.118723      0.002049      0.117591
      9.81461     17.72010      0.51669        -0.330247      0.034272     -0.909295
      9.96323     15.86446     20.61685         0.069657      0.307164     -0.438820
     10.68093     18.35083     17.20685         0.746391     -0.081562     -0.673740
      9.71242     -0.00369      3.39219        -0.639811      0.051875      1.016109
     10.84747      0.75703     20.12002         0.824925      0.120107      0.368210
     10.58825      2.60568      0.11327        -0.481486     -0.383591      0.245240
      7.81756     10.59373     16.12409        -0.545653     -0.219789     -0.126682
      6.90588      7.23875     19.65632         0.138647      0.147810     -0.176676
      6.91913      9.63059     20.23363         0.360540     -0.362001     -0.576805
      7.94360     12.65488     16.72533        -0.495706      0.398603     -0.260383
      6.77256     11.45648     20.67565         0.400783      0.550475     -0.377250
      6.76658     13.79957      0.09766         0.277236      0.068370      0.280819
      9.52045     19.89862     15.94421        -0.612721     -0.066301      0.321482
      8.93282     17.75409     16.14407        -0.656984      0.341354      0.594705
      7.25531     18.83575     19.98133        -0.053091      0.027171     -0.148249
      9.41475      3.01859     14.34556         0.511806      0.086193     -0.478992
      8.53518      2.03413     18.97336         0.016211      0.297073     -1.046389
      8.79891      4.23996     18.43813         0.396509     -0.872819     -1.066865
      6.81441     13.03923      8.71102        -0.045785     -0.282271      0.111509
      7.54903     11.34051      4.08434        -0.038677     -0.099983      0.118426
      7.80937     13.73893      4.56000        -0.269296     -0.574921      0.487275
      6.81517     15.14256      8.99532         0.012273      0.314566      0.197254
      8.05815     15.54850      4.87489        -0.184284      0.481190      0.646246
      8.19885     17.96624      5.15333        -0.251629      0.019863      0.093785
      6.23970      0.29072     12.79898         0.666063      0.214619     -0.697676
      6.52896     19.66719     11.67811         0.760908      0.009020     -0.154936
      8.08544      0.78469      8.52273         0.233758      0.146772     -0.671274
      6.65781      3.74702     15.96032        -0.373190      0.324590      0.477738
      7.99562      4.43023     11.48976         0.793892      0.264836     -0.058034
      7.96690      6.24348     12.77394        -0.153992      0.273412     -0.067876
      3.60087     14.45628      9.14111        -0.075844     -0.276093     -0.203738
      4.57025     11.29676     12.85890        -0.074455      0.019620     -0.300354
      4.66573     13.72564     13.26429        -0.103487     -0.430002     -0.607360
      3.99141     16.42182      9.42675        -0.225493     -0.354452     -0.951353
      4.60568     15.64290     13.63668         0.206541      0.265663     -0.449230
      4.93235     18.05006     13.98407         0.473450      0.050855     -0.268078
      5.45320      2.33652      7.41304        -0.323000     -0.284855      1.010103
      4.95889      0.20025      7.97416        -0.079738      0.255774      0.467347
      4.53572      1.56566     12.03342        -0.461472      0.149275      0.199359
      6.70389      6.61545      6.03123         0.377950      0.057442     -0.403410
      5.44059      5.89516     10.52801         0.618954      0.415217     -1.207949
      5.82099      8.03486     10.00151         0.527745     -1.180716     -1.080468
      2.09759     16.46936      3.19081         0.059296     -0.214698      0.171892
      0.50267     14.96435     20.00815         0.045809     -0.077134      0.921370
      0.54057     17.32395     20.47596         0.212370     -1.108056      0.967266
      1.81017     18.74932      3.55455         0.192337      0.038698      0.455693
      0.25097     19.01815     20.76833         0.322325      0.357262      0.878331
      0.03923      0.17898     21.01126        -0.078261      0.039597     -0.113568
      2.58466      3.86648      6.95895        -0.399171      0.078894     -0.339456
      2.35753      2.00840      5.90832        -0.085612     -0.076352     -0.114427
      0.78377      4.33127      2.66762        -0.472959     -0.045357     -0.296407
      3.75566      7.52603      9.45013         0.135656     -0.104211      0.976096
      1.90292      8.19528      5.13075        -0.471097      0.650762      0.256020
      2.50083     10.08358      6.23410         0.104114     -0.914921      0.693571
      3.25495     17.03993     21.12273         0.363455     -0.226045     -0.461203
      6.04798     13.79472      2.34743        -0.320742      0.124694     -0.015578
      6.07722     16.15362      2.99253        -0.427223     -0.358051     -0.552602
      3.39777     19.23971      0.47623         0.120172      0.308982     -0.102516
      6.18557     17.97701      3.52662        -0.359969      0.570262     -0.238333
      6.40913     20.29937      4.28462        -0.175615     -0.046913     -0.169906
      1.94250      5.47666      0.48301         0.133827     -0.070577      0.522546
      2.39657      3.37317      0.42905         0.147318     -0.236780      0.136602
      4.80051      3.97131      3.93201         0.038556      0.013239     -0.086101
      1.60038     10.26836     21.12356        -0.818669      0.003548     -0.053279
      4.08545      8.66663      3.58646         0.141628      0.872139     -1.215604
      3.71687     10.90286      3.57764        -0.614573     -1.092175     -1.400040
     20.47126     19.56938     14.66136        -0.089521     -0.363644      0.603048
     16.60257     17.82482     12.10529         0.127854     -0.118378     -0.018672
     16.90022     20.25386     12.38296         0.422021     -0.654890      0.231887
     20.67424      0.29451     14.95837        -0.086596      0.412473      0.324705
     16.96341      0.83794     12.81342         0.399021      0.359891      0.409538
     16.99489      3.23645     13.36800        -0.084269      0.197445     -0.066234
      2.50177      6.69363     17.22221         5.183308     -0.412047      0.419511
      1.50906      4.71102     16.96316        -0.663915     -0.386072      0.413798
     19.37515      7.09790     15.93081        -0.133870     -0.180465      0.230290
      4.41361     10.04636     20.27105        -0.581146      0.125811     -0.865221
      0.19709     10.64887     18.10849         1.788463     -0.279862      1.666759
      1.30592     12.53752     18.66933        -0.490713      0.533020      0.415652
      0.72033     21.15511     13.44026        -0.099112     -0.154123     -0.515887
      3.75463     17.77608     15.37817        -0.389886      0.089837      0.257625
      4.25141     20.16917     15.71331        -0.603612     -0.285317     -0.167017
      0.96464      1.79561     13.85707        -0.209225      0.210824     -0.726858
      4.43718      0.87150     16.13489        -0.830436      0.053278      0.682823
      4.77230      3.25173     16.66360        -0.405911     -0.005791      0.173048
     20.05098      8.92768     13.83553         0.494212     -0.168498      0.224878
     20.74936      6.78462     13.84675         0.528377      0.305601      0.092146
      2.87328      8.12349     16.12836         0.787565      0.119919     -0.578959
     18.38567     13.11284     13.36642        -0.558674      0.044936      0.066978
      1.33572     12.49947     15.47237        -0.117013      0.307455     -0.821299
      0.65328     14.61421     15.31753        -0.426030     -0.162537     -0.025928
     17.83424      2.67669      7.06640        -0.196235     -0.377888      0.350438
     14.55668      0.86999      3.81672         0.053518     -0.131192     -0.234288
     14.60737      3.28932      4.28024         0.532786     -0.509908      0.283854
     17.89089      4.70515      7.39206         0.020271      0.264323      0.292252
     14.67530      5.17354      4.55459         0.461673      0.495988      0.499084
     14.66221      7.60118      4.97821         0.113134      0.015413      0.091027
     20.33323     10.86400     10.69073        -0.578989      0.118020     -0.684824
     19.48968      9.07483      9.73387        -0.568796     -0.185738      0.154562
     16.77580     11.61412      7.64271        -0.475212      0.137508     -0.437183
      1.07120     14.34993     12.85163         1.048275      0.350877      0.256196
     18.48645     15.16038     10.19458        -1.187232      0.302235     -0.079347
     19.45798     16.99235     11.11534        -0.032514      0.019704      0.006605
     19.36139      4.40029      5.30405        -0.199315      0.127583     -0.392174
     21.16213      0.67085      8.05185        -0.064968      0.271178     -0.410542
      0.20685      2.99786      8.82605        -0.603036     -0.325965     -0.733678
     19.72526      6.17970      5.78928        -0.519210     -0.270772     -1.149311
      0.32308      4.92244      9.46461        -0.644937      0.590429     -0.200963
      0.72458      7.27243     10.07932        -0.180062      0.143388     -0.241102
     18.51858     13.38861      4.91804         0.348367     -0.327333      0.570169
     19.02837     11.21788      5.18290         0.128269      0.058467      0.386953
      0.10138     12.35284      8.61675         0.376480      0.138833     -0.040182
     17.06807     17.66703      4.24919        -0.067366      0.105166     -0.583951
     20.07495     16.78107      7.82372        -0.407591      0.265356     -0.753035
     19.36685     18.88866      7.66058        -0.517263     -0.341139     -0.292031
     14.04175     19.29162     10.60790        -0.166429      0.131741      0.371352
     18.68533     20.92685      3.72499         1.207975      1.275532      1.048859
     12.44962      1.21136      2.71478         0.330700     -1.164090     -0.057902
     13.38436     11.62340      4.47745         1.190539      3.127455      0.515639
      9.89262      2.63179      2.82540        -0.487850     -1.220325     -1.306584
     10.80712     12.66285      5.31581        -0.482463      0.897076      1.478470
      9.56732      5.22544     15.88302         0.078258     -0.763047      2.162433
     10.41333     15.66205     17.87952         0.770209      1.173135     -0.365287
      7.14725      6.39410     15.49427        -0.263906      0.296903     -0.144691
      7.73174     16.60196     18.36375        -0.387759      1.079785     -0.045098
      6.53338      8.96531      7.44505        -0.324194     -1.719314      1.139426
      7.36521     19.41360      9.05796         0.274819      1.027337      1.377798
      3.49060     10.17424      8.89123        -0.481575     -0.557110     -1.119364
      4.44078     20.47843     10.54709        -0.059080      3.051432      0.059250
      2.27379     12.32996      1.57934         0.154982      0.752124      1.180031
      1.33890      1.73028      3.40124         0.411617      1.286385      1.453761
      3.62468     12.73770     20.27758         0.066997      0.260287      0.111033
      4.07514      1.93029      2.19872         0.149640      0.087635     -0.197538
     19.58767     15.45946     14.13240        -1.983081     -0.924349     -0.564911
     20.17502      4.46019     15.86300         0.230953      1.409908      1.050816
      0.52251     17.01241     12.63066         0.862145     -1.814427      0.021491
      1.89206      5.82305     14.78306         1.924224      1.944569      0.679189
     17.45765     19.83898      5.85417         0.284774     -1.035047      0.319325
     17.48615      8.94632      7.84161         0.732946      1.059061      1.440928
     19.18559      0.37341      4.36459        -1.345487     -2.360331     -3.034217
     20.48397     10.06070      7.17546         0.666563      3.617933      0.659229
     12.04404      2.37007      4.75441         0.693970     -0.560977     -0.618905
     12.89810      1.00085      0.40303         0.923621     -0.592672     -0.003982
     12.85508      9.92464      6.04401         1.159015      0.797868     -0.834903
     13.71752     12.61505      2.33220         0.462337      1.978115     -0.850895
     10.17450      4.52236      1.40900        -0.648995     -0.213758     -0.588911
      9.42304      1.46977      4.83107        -1.045608     -4.152688      2.050668
     11.01663     11.55569      3.23079        -1.172139      0.251327      3.192492
     10.32537     12.85282      7.63501        -0.380316      1.868589      2.057077
      9.36426      6.42215     17.93074         0.828302     -0.493167     -0.429949
      9.87021      4.98940     13.54137         1.395878      1.950077      4.154442
      9.99221     13.86615     19.39194         0.665481      0.349935      0.470044
     10.78282     16.64903     15.71659         0.591179      2.156024     -0.947514
      7.56219      8.31115     14.13775        -0.884969     -0.953220      1.518046
      6.84432      5.22183     17.51271        -0.834820     -1.536469      0.641751
      8.23032     15.61503     16.24956        -1.359106      0.381224      2.124409
      7.12210     16.63976     20.62399        -0.279026      1.146343      1.205754
      6.37010     10.17590      9.46025         0.070207     -0.501404      1.242234
      7.02202      8.66710      5.20375         0.532564     -2.663273     -2.846448
      6.76748     17.69367     10.54949         0.022184     -0.257705      2.701302
      8.07716     20.29481      7.03838         0.644730      2.361451     -1.272482
      3.07811     12.00145      7.45181        -0.562988      0.170298     -1.783120
      4.07103      9.11512     10.90354        -0.115835     -1.638239      0.696012
      4.25385     19.26693      8.54972        -0.029796      0.343195     -2.502018
      4.64513     20.54634     12.83043         3.135655     28.670274     51.342997
      2.96289     13.41550      3.60596         1.180616     -0.476775      2.595621
      0.84211     12.25792     20.95947         1.026119      0.803018      1.710349
      2.12143      0.12081      4.96564         0.816850     -0.103987      1.657212
      0.48433      2.53912      1.40649        -0.878857      1.705878     -0.980561
      2.51350     14.52842     19.24221         0.510079      0.188527     -0.447537
      4.98235     11.65990      0.58282         0.343828     -0.738871      0.403844
      2.85685      1.01522      0.39696        -0.616794      0.729581     -1.590756
      5.64798      1.84382      3.89764         2.187913      2.067905      2.521500
      0.00615     16.72380     15.20367        -3.103378     -0.420777     -0.878045
     17.59026     15.07650     12.86504        -1.592491     -1.422648     -0.297740
      0.44889      2.74112     16.35975        -1.655752      0.864617      0.496845
     18.40199      5.44340     14.71195        -1.958446      3.473930     -0.684503
     20.71181     18.96087     11.88913         0.377467     -0.382507     -0.837711
      2.16110     15.72470     13.95954         0.695526     -1.793629      0.411206
      0.22319      4.68750     13.57398         2.092633      0.528481      0.885921
      3.81626      5.89664     16.21763         6.223697      5.300025      4.042482
     18.51868     21.06569      7.59703        -0.904109     -0.729908      0.015149
     15.86988     19.51947      4.16814        -0.620771     -1.327208     -1.222011
     18.59872      7.17286      8.91955         1.382125     -0.631886      3.034558
     15.85604      9.88884      6.50166        -1.249700      2.557882     -0.829893
     18.31584      2.30895      3.45014        -1.391782      0.920684     -2.054010
     20.29720     20.13322      5.72265         0.800868     -0.763840     -0.563990
     19.43589      9.08509      5.33480        -1.474697      0.433288     -2.061982
      0.40509      9.94557      9.13062        42.380408     34.203844     66.877550
     13.53177     17.69034      5.36974         0.990399     -1.342202     -0.319299
     15.51083     16.94500      5.54688         0.955712     -0.864995      0.584556
     14.43829     16.54350      3.73418         0.031415     -0.623297      1.233521
     11.94079     15.07440     11.18474         0.510648      1.129812      0.524304
     11.47635     14.58530      9.22313        -0.025009     -0.312171     -0.816006
     13.44920     13.98755     10.17532         0.503158     -0.703239     -0.123313
     11.94732     18.29732      7.19426         0.977607     -0.063976     -0.206512
     10.06627     18.40125      6.27214        -0.702483      0.367779     -0.537685
     10.47922     16.94367      7.82114        -0.106698     -0.735072     -0.667968
     12.88384     18.10423      0.16716         0.202125      1.207504      0.388352
     13.80226     16.75195      1.56452        -0.146625      0.625194      0.161064
     11.75759     16.54003      0.96608        -0.454462      0.523796      0.916232
      9.96566      0.41678     18.73102         1.076205     -1.273315     -0.227176
     12.04770      0.01035     18.73667         0.776644     -1.014486      0.696953
     10.95064     20.72960     17.01204         0.592080     -0.721882      1.120991
      9.30587     19.08186      3.53315        -0.461103      0.825003     -0.802223
      8.35529     18.48343      1.67292        -1.458494      0.116069     -0.398666
     10.42472     18.12557      1.99134        -1.127610     -0.050443      0.324270
      8.23308      0.83990     20.51581         0.673386     -0.155458     -0.446767
      6.63130      1.24062     19.18735        -0.877281      0.070660     -0.894123
      6.48707     20.94919     20.68395        -0.055112     -0.780776     -0.599719
      9.11269      0.87304     13.39670        -0.695821      0.888268     -0.902327
     10.37135     21.01906     14.57761        -0.096873      0.114151      0.993576
      8.19039     20.37260     14.59434         3.022038      1.092087     -0.727181
      7.47030      4.10631      9.89654         0.445077     -0.365544      0.410570
      9.41087      3.54637     10.44184         1.378499     -0.981783      0.675563
      8.63181      3.01304      8.51021         0.257145     -1.061352      0.852077
      6.31026      1.53223     16.04506        -1.302825      1.673898      0.337140
      5.04670      1.49416     14.14876         0.088666     -0.038516     -0.614182
      6.92205      0.56427     14.39552        -0.852772      0.077144     -0.940800
      5.81237      4.94884     11.87921         1.503967      0.745704     -0.255786
      3.79386      5.11464     11.66821        -1.214947     -0.809665      0.022301
      4.59778      3.60589     12.96703        -0.430428     -0.395527     -1.266645
      6.76828      4.37362      5.13218         0.792919      0.292487      0.547496
      7.10306      2.98625      6.70626        -0.091279     -0.089052      0.226257
      5.12085      3.30915      5.91661        -0.832634      0.526205      0.581569
      0.07805      7.46273      4.55676        -0.220637     -1.204427     -0.278620
      1.88220      7.61811      3.45377        -1.635976     -1.183276      0.561382
      0.18931      6.54189      2.58458         0.359995     -0.607459      1.322742
      3.55677      5.37104      9.57010         1.242859      0.833048      3.184957
      2.08135      4.41770      8.58450        -0.858411     -0.382853     -0.215745
      3.99424      4.48595      7.56970        -0.991807      1.037258      1.200326
      5.63405      7.35972      3.54798         0.338533     -0.958573     -0.401023
      3.85976      7.45652      4.77913         1.094692     -1.090914     -1.295617
      5.13203      5.81651      5.09146        -1.080280      0.577713     -1.868260
      1.20105      8.11348     20.07942        -0.128345      0.458719      1.102062
      2.87508      6.96928     -0.36168        -1.634232     -0.626259      4.323039
      0.67690      6.78130      0.22951         0.815890      0.017090      1.456494
     19.81614      9.67440     18.53513        -0.713372     -0.835403      0.847299
     20.49474     10.48962     16.72085         0.259195      0.428707     -0.157540
     18.86816      9.19928     16.63155        -1.676475     -0.892586      0.304533
      4.66821      7.72997     19.94828         0.813637      1.510654     -0.069309
      3.07770      6.63417     19.15203         1.045952      0.243039     -6.573607
      4.48261      7.72586     17.80129        -0.658213      0.322346     -0.222752
      3.07455     11.54973     15.15398        -0.034897     -0.082299     -1.340988
      1.79351     11.61514     16.81521        -0.828969      0.702965      0.182751
      3.45416     10.29421     16.80807         0.091308     -0.654545     -0.735353
     17.60304     11.02259     13.03836         0.382357      0.557217      0.306278
     19.09958      9.62847     12.49030         0.627479      0.384228     -0.044519
     18.32622      9.60365     14.50201        -0.038914      0.425241     -0.254799
     16.74851     14.42781      9.82524        -0.958217     -0.404267      1.140317
     18.24010     14.87325      8.35661        -0.436003     -0.749913      0.636716
     16.45809     13.87799      7.75794         0.065848     -0.990918      0.373952
      1.33703     12.15843     12.86726        -0.378814      0.918586     -1.472318
     20.70223     11.28480     12.26359         1.600897     -0.006472     -0.859302
      0.98707     11.77694     10.77349        -0.002387      0.081647     -0.185644
      0.65631     15.94615      7.60481         0.568411     -0.487493     -1.194817
     20.45134     15.78085      9.10598        -0.173483     -0.349150     -0.212370
      0.88157     14.50927      9.20593        -0.057033     -0.740779     -0.823740
     17.08938     15.66385      3.08057        -0.284702      1.343666     -0.047679
     18.82273     14.57580      3.46946         0.982738     -0.568464      0.078943
     16.90824     14.24018      4.60153        -0.098456     -0.613416      0.731857
 -----------------------------------------------------------------------------------
    total drift:                                0.010370     -0.002501     -0.003205


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4485.8686172610 eV

  energy  without entropy=    -4486.0236153149  energy(sigma->0) =    -4485.92028328
 
 d Force =-0.1210739E+02[-0.911E+02, 0.669E+02]  d Energy = 0.6957689E+01-0.191E+02
 d Force = 0.3368885E+04[ 0.286E+04, 0.387E+04]  d Ewald  = 0.3394921E+04-0.260E+02


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -6.957689  1 .order   12.107391  -66.904041   91.118823
  (g-gl).g = 0.104E+03      g.g   = 0.109E+03  gl.gl    = 0.182E+03
 g(Force)  = 0.109E+03   g(Stress)= 0.000E+00 ortho     =-0.962E+00
 gamma     =   0.57377
 trial     =   0.61891
 opt step  =   0.36978  (harmonic =   0.26203) maximal distance =0.11274481
 next E    = -4502.963984   (d E  = -24.05306)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   13(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3176
 total energy-change (2. order) :-0.8728451E+01  (-0.2694698E+03)
 number of electron    2498.0000007 magnetization 
 augmentation part      163.3084974 magnetization 

  free energy =  -0.449459706080E+04  energy without entropy=  -0.449475624101E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   13(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3744
 total energy-change (2. order) :-0.7675582E+01  (-0.9527081E+01)
 number of electron    2498.0000007 magnetization 
 augmentation part      163.6783646 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7589
  0.7589

  free energy =  -0.450227264275E+04  energy without entropy=  -0.450243976496E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   13(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3704
 total energy-change (2. order) : 0.7169085E+00  (-0.2398975E+00)
 number of electron    2498.0000007 magnetization 
 augmentation part      163.3641722 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2419
  1.2419  1.2419

  free energy =  -0.450155573420E+04  energy without entropy=  -0.450171875851E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   13(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3600
 total energy-change (2. order) : 0.2028517E+00  (-0.1552990E+00)
 number of electron    2498.0000007 magnetization 
 augmentation part      163.1715890 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2628
  1.9923  0.8980  0.8980

  free energy =  -0.450135288251E+04  energy without entropy=  -0.450152322382E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   13(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3632
 total energy-change (2. order) :-0.1572412E-01  (-0.3716350E-01)
 number of electron    2498.0000007 magnetization 
 augmentation part      163.2443941 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2632
  2.1793  0.9390  0.9672  0.9672

  free energy =  -0.450136860663E+04  energy without entropy=  -0.450152936415E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   13(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) : 0.1313351E-02  (-0.7990473E-02)
 number of electron    2498.0000007 magnetization 
 augmentation part      163.2493047 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2198
  2.2564  1.0940  1.0940  0.7493  0.9054

  free energy =  -0.450136729328E+04  energy without entropy=  -0.450153953130E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   13(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) : 0.3045703E-02  (-0.2429027E-02)
 number of electron    2498.0000007 magnetization 
 augmentation part      163.2579119 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2001
  2.3737  1.2167  1.2167  0.9381  0.9381  0.5176

  free energy =  -0.450136424758E+04  energy without entropy=  -0.450152573775E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   13(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3608
 total energy-change (2. order) : 0.1057348E-02  (-0.6615558E-03)
 number of electron    2498.0000007 magnetization 
 augmentation part      163.2709871 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2459
  2.3680  1.4298  1.4298  1.0673  0.9592  0.9592  0.5082

  free energy =  -0.450136319023E+04  energy without entropy=  -0.450152730825E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   13(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3600
 total energy-change (2. order) :-0.1768861E-03  (-0.4470223E-03)
 number of electron    2498.0000007 magnetization 
 augmentation part      163.2654037 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2087
  2.4693  1.3918  1.3918  1.0310  1.0310  0.9219  0.9219  0.5108

  free energy =  -0.450136336711E+04  energy without entropy=  -0.450152762539E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   13(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3808
 total energy-change (2. order) :-0.7107478E-04  (-0.8609354E-04)
 number of electron    2498.0000007 magnetization 
 augmentation part      163.2632971 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2330
  2.5331  1.6922  1.1778  1.1778  1.3005  0.9127  0.9127  0.8784  0.5114

  free energy =  -0.450136343819E+04  energy without entropy=  -0.450152738119E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   13(  11)  ---------------------------------------



 eigenvalue-minimisations  :  3512
 total energy-change (2. order) :-0.1993689E-03  (-0.4564399E-04)
 number of electron    2498.0000007 magnetization 
 augmentation part      163.2650988 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2508
  2.5914  1.9748  1.5464  1.0428  1.0428  0.9351  0.9351  0.9639  0.9639  0.5115

  free energy =  -0.450136363756E+04  energy without entropy=  -0.450152765554E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   13(  12)  ---------------------------------------



 eigenvalue-minimisations  :  3264
 total energy-change (2. order) :-0.2338252E-03  (-0.5435965E-05)
 number of electron    2498.0000007 magnetization 
 augmentation part      163.2648166 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2987
  2.7170  2.4606  1.4268  1.4268  1.0541  1.0541  0.9029  0.9029  0.9143  0.9143
  0.5117

  free energy =  -0.450136387138E+04  energy without entropy=  -0.450152782863E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   13(  13)  ---------------------------------------



 eigenvalue-minimisations  :  3488
 total energy-change (2. order) :-0.2033231E-03  (-0.9222788E-05)
 number of electron    2498.0000007 magnetization 
 augmentation part      163.2644007 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2834
  2.8493  2.5179  1.5143  1.5143  1.0459  1.0459  0.9191  0.9191  0.5117  0.8702
  0.8702  0.8234

  free energy =  -0.450136407471E+04  energy without entropy=  -0.450152805723E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   13(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2576
 total energy-change (2. order) :-0.1166269E-03  (-0.2014585E-05)
 number of electron    2498.0000007 magnetization 
 augmentation part      163.2644273 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3400
  3.3390  2.4717  1.6523  1.6523  1.0403  1.0403  1.1223  1.1223  0.5117  0.9039
  0.9039  0.8298  0.8298

  free energy =  -0.450136419133E+04  energy without entropy=  -0.450152817635E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   13(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2416
 total energy-change (2. order) :-0.1198850E-03  (-0.1325713E-05)
 number of electron    2498.0000007 magnetization 
 augmentation part      163.2645669 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3820
  3.9285  2.5369  1.9778  1.3559  1.3559  1.0421  1.0421  0.5117  1.1113  0.9429
  0.9429  0.9147  0.9147  0.7713

  free energy =  -0.450136431122E+04  energy without entropy=  -0.450152828797E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   13(  16)  ---------------------------------------



 eigenvalue-minimisations  :  2336
 total energy-change (2. order) :-0.6225030E-04  (-0.6099918E-06)
 number of electron    2498.0000007 magnetization 
 augmentation part      163.2644386 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4138
  4.4256  2.5229  2.1697  1.4691  1.4691  1.0393  1.0393  1.0903  1.0903  0.5117
  0.9054  0.9054  0.9243  0.9243  0.7206

  free energy =  -0.450136437347E+04  energy without entropy=  -0.450152835448E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   13(  17)  ---------------------------------------



 eigenvalue-minimisations  :  2304
 total energy-change (2. order) :-0.3778181E-04  (-0.3041124E-06)
 number of electron    2498.0000007 magnetization 
 augmentation part      163.2643484 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4564
  4.8616  2.6274  2.3496  1.5606  1.5606  1.0482  1.0482  0.5117  1.0922  1.0922
  0.9146  0.9146  1.0273  1.0273  0.8943  0.7711

  free energy =  -0.450136441125E+04  energy without entropy=  -0.450152839077E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   13(  18)  ---------------------------------------



 eigenvalue-minimisations  :  2320
 total energy-change (2. order) :-0.2507129E-04  (-0.2378577E-06)
 number of electron    2498.0000007 magnetization 
 augmentation part      163.2643208 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4887
  5.2079  2.6958  2.4898  1.7792  1.4496  1.3136  1.3136  1.0493  1.0493  0.5117
  1.0377  1.0377  0.9109  0.9109  0.8995  0.8995  0.7524

  free energy =  -0.450136443632E+04  energy without entropy=  -0.450152841980E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   13(  19)  ---------------------------------------



 eigenvalue-minimisations  :  2304
 total energy-change (2. order) :-0.1066661E-04  (-0.1028121E-06)
 number of electron    2498.0000007 magnetization 
 augmentation part      163.2643668 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5286
  5.7307  3.0396  2.5025  2.0310  1.2956  1.2956  1.0565  1.0565  1.2572  1.2572
  0.5117  1.1180  0.9156  0.9156  0.9437  0.9437  0.8804  0.7642

  free energy =  -0.450136444699E+04  energy without entropy=  -0.450152843158E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   13(  20)  ---------------------------------------



 eigenvalue-minimisations  :  2256
 total energy-change (2. order) :-0.5359208E-05  (-0.8195540E-07)
 number of electron    2498.0000007 magnetization 
 augmentation part      163.2643668 magnetization 

  free energy =  -0.450136445235E+04  energy without entropy=  -0.450152843730E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.9270       2 -56.1457       3 -55.9811       4 -55.7806       5 -55.7784
       6 -56.2541       7 -58.0534       8 -58.2678       9 -56.2515      10 -55.9453
      11 -56.0257      12 -55.7649      13 -55.7280      14 -55.9455      15 -58.2192
      16 -58.0222      17 -56.3974      18 -55.0320      19 -54.7090      20 -55.3187
      21 -55.7136      22 -55.6190      23 -55.5550      24 -55.6175      25 -55.0987
      26 -54.6179      27 -54.8902      28 -54.9927      29 -60.4589      30 -60.4580
      31 -55.6117      32 -55.8330      33 -55.6668      34 -55.2239      35 -55.4576
      36 -55.9437      37 -57.9846      38 -58.1223      39 -55.9751      40 -55.6005
      41 -55.8848      42 -55.6172      43 -55.6838      44 -55.7834      45 -58.1947
      46 -58.1567      47 -56.5668      48 -55.1744      49 -54.8079      50 -55.4049
      51 -55.9326      52 -55.7377      53 -55.6296      54 -55.9553      55 -55.2440
      56 -54.6723      57 -54.9840      58 -56.4596      59 -60.4766      60 -60.6588
      61 -55.9377      62 -56.1359      63 -56.0817      64 -55.8174      65 -55.9232
      66 -56.2296      67 -57.9590      68 -58.4522      69 -56.2230      70 -55.9399
      71 -56.0770      72 -55.7335      73 -55.6514      74 -55.9572      75 -58.2900
      76 -58.1721      77 -56.5368      78 -55.0694      79 -54.6813      80 -55.4793
      81 -55.8443      82 -55.7804      83 -55.7066      84 -55.8473      85 -55.2426
      86 -54.8644      87 -55.0943      88 -56.5179      89 -60.7520      90 -60.6277
      91 -55.6970      92 -55.8677      93 -55.6662      94 -55.3924      95 -55.4287
      96 -55.9599      97 -57.9777      98 -58.0487      99 -56.0311     100 -55.7721
     101 -55.9153     102 -55.5133     103 -55.5232     104 -55.7669     105 -58.1085
     106 -58.2534     107 -56.5196     108 -55.0480     109 -54.9370     110 -55.3164
     111 -55.8717     112 -55.6782     113 -55.7587     114 -55.8640     115 -55.3880
     116 -54.9285     117 -55.1421     118 -56.5392     119 -60.6056     120 -60.5324
     121 -55.7541     122 -55.8419     123 -55.7132     124 -55.6453     125 -55.6660
     126 -56.0422     127 -57.9522     128 -58.0779     129 -55.9856     130 -55.6489
     131 -55.7710     132 -55.5498     133 -55.4840     134 -55.6718     135 -57.8800
     136 -58.0053     137 -56.4578     138 -55.0782     139 -54.6673     140 -55.3203
     141 -55.8077     142 -55.8181     143 -55.6989     144 -55.6658     145 -55.2824
     146 -54.9348     147 -55.3151     148 -56.3343     149 -60.4674     150 -60.6279
     151 -55.4868     152 -55.5835     153 -55.4176     154 -55.3011     155 -55.3233
     156 -55.7421     157 -57.7773     158 -57.8649     159 -55.6731     160 -55.3270
     161 -55.4989     162 -55.2990     163 -55.2729     164 -55.3255     165 -58.2442
     166 -57.9212     167 -56.5083     168 -55.1672     169 -54.7602     170 -55.5126
     171 -55.8753     172 -55.8053     173 -55.7584     174 -55.6661     175 -55.0419
     176 -54.5335     177 -54.8674     178 -56.2337     179 -60.4141     180 -60.6201
     181 -55.9264     182 -56.0647     183 -55.8461     184 -55.5745     185 -55.6232
     186 -56.1889     187 -57.8891     188 -58.2772     189 -56.1330     190 -55.7547
     191 -55.8715     192 -55.6830     193 -55.5896     194 -55.7747     195 -57.9111
     196 -58.1826     197 -56.3607     198 -54.9116     199 -54.5986     200 -55.1792
     201 -55.7800     202 -55.6581     203 -55.5347     204 -55.6300     205 -55.1173
     206 -54.7451     207 -54.9813     208 -56.3570     209 -60.6734     210 -60.4088
     211 -56.0545     212 -56.2380     213 -55.9262     214 -55.8289     215 -55.7686
     216 -56.2724     217 -58.1920     218 -58.3573     219 -56.1741     220 -55.8185
     221 -55.9379     222 -55.6658     223 -55.5459     224 -55.7935     225 -57.8926
     226 -58.1880     227 -56.4292     228 -55.0081     229 -54.8413     230 -55.1837
     231 -55.7340     232 -55.8518     233 -55.7003     234 -55.5015     235 -55.1451
     236 -54.7083     237 -55.0756     238 -56.4464     239 -60.2445     240 -60.4006
     241 -55.9179     242 -55.9080     243 -55.7680     244 -55.6948     245 -55.6926
     246 -56.0738     247 -58.2217     248 -58.0607     249 -56.1632     250 -55.8578
     251 -55.9738     252 -55.7256     253 -55.7059     254 -55.8527     255 -58.1410
     256 -58.0482     257 -56.7205     258 -55.3987     259 -55.2327     260 -55.6848
     261 -55.8995     262 -56.1362     263 -55.8935     264 -55.8627     265 -55.4632
     266 -54.8244     267 -55.5717     268 -56.4769     269 -60.5194     270 -60.5807
     271 -55.8886     272 -55.9184     273 -55.6931     274 -55.7535     275 -55.6582
     276 -56.0547     277 -58.3756     278 -57.8635     279 -55.7308     280 -55.5175
     281 -55.6781     282 -55.3526     283 -55.3112     284 -55.5815     285 -58.3344
     286 -57.9932     287 -56.7451     288 -55.4328     289 -54.9241     290 -55.9099
     291 -55.9097     292 -55.8646     293 -55.6798     294 -56.0060     295 -55.2061
     296 -54.6783     297 -54.8944     298 -56.4464     299 -60.5222     300 -60.7458
     301 -55.7532     302 -55.8870     303 -55.7471     304 -55.5349     305 -55.5650
     306 -55.9990     307 -57.9586     308 -58.1361     309 -56.0348     310 -55.6948
     311 -55.8329     312 -55.6047     313 -55.5754     314 -55.7636     315 -57.9475
     316 -58.0341     317 -56.4539     318 -55.0342     319 -54.7078     320 -55.2504
     321 -55.7399     322 -55.7343     323 -55.6960     324 -55.8524     325 -55.1800
     326 -55.0037     327 -55.1189     328 -56.4892     329 -60.6276     330 -60.3978
     331 -55.5494     332 -55.6153     333 -55.4235     334 -55.3709     335 -55.3510
     336 -55.7570     337 -57.8227     338 -57.9133     339 -55.5401     340 -55.2012
     341 -55.3266     342 -55.1755     343 -55.1864     344 -55.2395     345 -57.9711
     346 -57.7658     347 -56.2926     348 -54.8669     349 -54.6178     350 -55.3122
     351 -55.6896     352 -55.5647     353 -55.4617     354 -55.5072     355 -55.0159
     356 -54.4340     357 -54.7842     358 -56.2397     359 -60.3105     360 -60.4580
     361 -38.9367     362 -38.6815     363 -38.8446     364 -38.9698     365 -38.8542
     366 -38.5979     367 -38.3412     368 -38.2411     369 -38.2898     370 -38.2954
     371 -38.4376     372 -38.1729     373 -38.7706     374 -38.2454     375 -38.5331
     376 -38.7253     377 -38.6882     378 -38.6777     379 -38.2916     380 -38.1276
     381 -38.2720     382 -38.1015     383 -38.3162     384 -37.9979     385 -38.9534
     386 -38.6213     387 -38.8592     388 -38.9013     389 -38.7848     390 -38.4615
     391 -38.3628     392 -38.1265     393 -38.5669     394 -38.4320     395 -38.4725
     396 -38.2588     397 -38.7307     398 -38.2489     399 -38.5082     400 -38.8010
     401 -38.4702     402 -38.6768     403 -38.0815     404 -38.0140     405 -38.1756
     406 -38.3633     407 -38.1362     408 -37.8731     409 -38.6295     410 -38.5613
     411 -38.7773     412 -38.5966     413 -38.6937     414 -38.3931     415 -38.1742
     416 -38.5044     417 -38.2316     418 -38.5293     419 -38.5883     420 -38.2089
     421 -38.3607     422 -38.1220     423 -38.3552     424 -38.4782     425 -38.3625
     426 -38.6354     427 -38.2310     428 -38.1316     429 -38.5669     430 -38.0946
     431 -38.1253     432 -37.6093     433 -38.7174     434 -38.2142     435 -38.6992
     436 -38.7046     437 -38.7387     438 -38.4646     439 -38.5755     440 -38.0954
     441 -38.1646     442 -38.3536     443 -38.2131     444 -37.8240     445 -38.8453
     446 -38.7410     447 -38.7640     448 -38.7102     449 -38.6451     450 -38.2773
     451 -38.1035     452 -38.0568     453 -38.0748     454 -38.3079     455 -37.9303
     456 -37.7232     457 -38.8254     458 -38.6087     459 -38.7649     460 -38.8923
     461 -38.8086     462 -38.6407     463 -38.9397     464 -38.6484     465 -38.4475
     466 -38.2937     467 -38.1020     468 -38.1288     469 -38.8179     470 -38.7961
     471 -38.6755     472 -38.6321     473 -38.5221     474 -38.4098     475 -38.5531
     476 -38.3149     477 -38.9200     478 -38.1434     479 -38.4584     480 -37.9613
     481 -38.7231     482 -38.5387     483 -38.6267     484 -38.6930     485 -38.6498
     486 -38.5044     487 -38.2560     488 -38.3381     489 -38.1804     490 -38.5210
     491 -38.5799     492 -38.2891     493 -38.6058     494 -38.1497     495 -38.3860
     496 -38.5478     497 -38.2433     498 -38.2486     499 -38.1981     500 -37.8649
     501 -38.2871     502 -37.9912     503 -38.0529     504 -37.6977     505 -38.3584
     506 -40.9545     507 -71.7781     508 -71.5222     509 -71.5268     510 -71.8068
     511 -71.9374     512 -71.5130     513 -71.5569     514 -71.8439     515 -71.6469
     516 -71.5522     517 -71.3575     518 -71.3123     519 -71.5558     520 -71.6275
     521 -71.7216     522 -71.5183     523 -71.6738     524 -71.7194     525 -71.3683
     526 -71.6784     527 -71.6075     528 -71.5707     529 -71.3310     530 -71.1934
     531 -76.6969     532 -76.5969     533 -76.4402     534 -76.8983     535 -76.6017
     536 -76.7925     537 -76.4813     538 -76.9501     539 -77.1150     540 -76.5503
     541 -76.6086     542 -77.0034     543 -76.4682     544 -76.6198     545 -76.6358
     546 -76.7560     547 -76.6724     548 -76.6680     549 -76.7360     550 -76.5158
     551 -76.5035     552 -76.3951     553 -76.5056     554 -77.7652     555 -76.9063
     556 -76.5274     557 -76.8600     558 -76.5641     559 -76.8095     560 -76.7617
     561 -76.7889     562 -76.5644     563 -76.3615     564 -76.8234     565 -76.6990
     566 -76.8981     567 -76.2680     568 -77.0797     569 -76.3825     570 -77.5267
     571 -76.7037     572 -76.5798     573 -76.6970     574 -76.5868     575 -76.5216
     576 -76.2854     577 -76.3476     578 -77.3004     579 -82.3209     580 -82.6302
     581 -82.2085     582 -82.1855     583 -82.4300     584 -82.4698     585 -82.5743
     586 -82.6351     587 -82.2876     588 -82.2942     589 -82.1188     590 -81.8916
     591 -82.7090     592 -82.3066     593 -82.4815     594 -82.6204     595 -82.9490
     596 -82.6987     597 -82.5959     598 -82.4779     599 -82.1113     600 -83.2095
     601 -82.5301     602 -80.5962     603 -82.9640     604 -82.5669     605 -82.4793
     606 -82.8937     607 -83.0125     608 -81.8891     609 -82.9252     610 -82.2526
     611 -82.2419     612 -81.9858     613 -82.2004     614 -82.3346     615 -82.3825
     616 -82.3922     617 -82.2304     618 -82.9940     619 -82.7749     620 -82.6289
     621 -82.4203     622 -82.2972     623 -82.2470     624 -82.3513     625 -82.3880
     626 -82.0369     627 -82.3755     628 -82.8014     629 -82.3701     630 -82.6836
     631 -81.3352     632 -82.7084     633 -82.3986     634 -83.0165     635 -82.5785
     636 -82.2472     637 -82.2191     638 -82.1581     639 -82.4319     640 -82.2832
     641 -82.1630     642 -82.5853     643 -82.7337     644 -82.5422     645 -82.2785
     646 -82.5833     647 -82.2517     648 -82.0151     649 -82.2930     650 -82.2910
 
 
 
 E-fermi :  -1.2357     XC(G=0):  -6.3272     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.7859      2.00000
      2     -29.5272      2.00000
      3     -29.5091      2.00000
      4     -29.4469      2.00000
      5     -29.4354      2.00000
      6     -29.3791      2.00000
      7     -29.3632      2.00000
      8     -29.2460      2.00000
      9     -29.2457      2.00000
     10     -29.2240      2.00000
     11     -29.1793      2.00000
     12     -29.1703      2.00000
     13     -29.1440      2.00000
     14     -29.0900      2.00000
     15     -29.0782      2.00000
     16     -29.0194      2.00000
     17     -28.9414      2.00000
     18     -28.9189      2.00000
     19     -28.8818      2.00000
     20     -28.7833      2.00000
     21     -28.7740      2.00000
     22     -28.7244      2.00000
     23     -28.6006      2.00000
     24     -28.5253      2.00000
     25     -27.3429      2.00000
     26     -27.2529      2.00000
     27     -27.1872      2.00000
     28     -27.0342      2.00000
     29     -27.0275      2.00000
     30     -26.8848      2.00000
     31     -26.8838      2.00000
     32     -26.8360      2.00000
     33     -26.8295      2.00000
     34     -26.7666      2.00000
     35     -26.7591      2.00000
     36     -26.7444      2.00000
     37     -26.7219      2.00000
     38     -26.7204      2.00000
     39     -26.6982      2.00000
     40     -26.6780      2.00000
     41     -26.6560      2.00000
     42     -26.6293      2.00000
     43     -26.6291      2.00000
     44     -26.5964      2.00000
     45     -26.5942      2.00000
     46     -26.5849      2.00000
     47     -26.5374      2.00000
     48     -26.4732      2.00000
     49     -26.4681      2.00000
     50     -26.4594      2.00000
     51     -26.4170      2.00000
     52     -26.4167      2.00000
     53     -26.3972      2.00000
     54     -26.3387      2.00000
     55     -26.3339      2.00000
     56     -26.3202      2.00000
     57     -26.3087      2.00000
     58     -26.2223      2.00000
     59     -26.1939      2.00000
     60     -26.1937      2.00000
     61     -26.1891      2.00000
     62     -26.1879      2.00000
     63     -26.1831      2.00000
     64     -26.1801      2.00000
     65     -26.1192      2.00000
     66     -26.0258      2.00000
     67     -26.0172      2.00000
     68     -25.9848      2.00000
     69     -25.9491      2.00000
     70     -25.7037      2.00000
     71     -25.3087      2.00000
     72     -25.1914      2.00000
     73     -24.4896      2.00000
     74     -24.2049      2.00000
     75     -24.1430      2.00000
     76     -23.3295      2.00000
     77     -23.2799      2.00000
     78     -23.2400      2.00000
     79     -23.2264      2.00000
     80     -23.2104      2.00000
     81     -23.1909      2.00000
     82     -23.1299      2.00000
     83     -23.1226      2.00000
     84     -23.1173      2.00000
     85     -23.1069      2.00000
     86     -23.0971      2.00000
     87     -23.0287      2.00000
     88     -22.9796      2.00000
     89     -22.9512      2.00000
     90     -22.9470      2.00000
     91     -22.9379      2.00000
     92     -22.8845      2.00000
     93     -22.8798      2.00000
     94     -22.7841      2.00000
     95     -22.7319      2.00000
     96     -22.7186      2.00000
     97     -22.6819      2.00000
     98     -22.6751      2.00000
     99     -22.6444      2.00000
    100     -22.6396      2.00000
    101     -22.5758      2.00000
    102     -22.5746      2.00000
    103     -22.5640      2.00000
    104     -22.5634      2.00000
    105     -22.5466      2.00000
    106     -22.5452      2.00000
    107     -22.5298      2.00000
    108     -22.5091      2.00000
    109     -22.4371      2.00000
    110     -22.4354      2.00000
    111     -22.4118      2.00000
    112     -22.3906      2.00000
    113     -22.3558      2.00000
    114     -22.3536      2.00000
    115     -22.2685      2.00000
    116     -22.2667      2.00000
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   1258       0.4047     -0.00000
   1259       0.4300     -0.00000
   1260       0.5478     -0.00000
   1261       0.5724     -0.00000
   1262       0.5969     -0.00000
   1263       0.6136     -0.00000
   1264       0.6707     -0.00000
   1265       0.7232     -0.00000
   1266       0.7290     -0.00000
   1267       0.7491     -0.00000
   1268       0.8409     -0.00000
   1269       0.8567     -0.00000
   1270       0.8628     -0.00000
   1271       0.8840     -0.00000
   1272       0.9006     -0.00000
   1273       0.9179     -0.00000
   1274       0.9291     -0.00000
   1275       0.9579     -0.00000
   1276       1.0096     -0.00000
   1277       1.0518     -0.00000
   1278       1.0675     -0.00000
   1279       1.0684     -0.00000
   1280       1.1092     -0.00000
   1281       1.1677     -0.00000
   1282       1.1792     -0.00000
   1283       1.2085     -0.00000
   1284       1.2267     -0.00000
   1285       1.2628     -0.00000
   1286       1.2797     -0.00000
   1287       1.3437     -0.00000
   1288       1.3530     -0.00000
   1289       1.3813     -0.00000
   1290       1.4064     -0.00000
   1291       1.4764     -0.00000
   1292       1.5323     -0.00000
   1293       1.5462     -0.00000
   1294       1.5590     -0.00000
   1295       1.5988     -0.00000
   1296       1.6673     -0.00000
   1297       1.6917     -0.00000
   1298       1.7291     -0.00000
   1299       1.7436     -0.00000
   1300       1.7602     -0.00000
   1301       1.8811     -0.00000
   1302       1.8906     -0.00000
   1303       1.9284     -0.00000
   1304       1.9385     -0.00000
   1305       1.9733     -0.00000
   1306       2.0126     -0.00000
   1307       2.0317     -0.00000
   1308       2.0434     -0.00000
   1309       2.0670     -0.00000
   1310       2.0801     -0.00000
   1311       2.0925     -0.00000
   1312       2.1124     -0.00000
   1313       2.1376     -0.00000
   1314       2.1828     -0.00000
   1315       2.2068     -0.00000
   1316       2.2441     -0.00000
   1317       2.2785     -0.00000
   1318       2.2968     -0.00000
   1319       2.3176     -0.00000
   1320       2.3555     -0.00000
   1321       2.3754     -0.00000
   1322       2.3873     -0.00000
   1323       2.4316     -0.00000
   1324       2.4574     -0.00000
   1325       2.4829     -0.00000
   1326       2.5084     -0.00000
   1327       2.5236     -0.00000
   1328       2.5430     -0.00000
   1329       2.5701     -0.00000
   1330       2.5742     -0.00000
   1331       2.6304     -0.00000
   1332       2.6530     -0.00000
   1333       2.6729     -0.00000
   1334       2.6931     -0.00000
   1335       2.7026     -0.00000
   1336       2.7111     -0.00000
   1337       2.7376     -0.00000
   1338       2.7679     -0.00000
   1339       2.7957     -0.00000
   1340       2.8091     -0.00000
   1341       2.8213     -0.00000
   1342       2.8581     -0.00000
   1343       2.8769     -0.00000
   1344       2.9181     -0.00000
   1345       2.9920     -0.00000
   1346       3.0124     -0.00000
   1347       3.0341     -0.00000
   1348       3.0398     -0.00000
   1349       3.0633     -0.00000
   1350       3.0918     -0.00000
   1351       3.1005     -0.00000
   1352       3.1084     -0.00000
   1353       3.1519     -0.00000
   1354       3.1753     -0.00000
   1355       3.2265     -0.00000
   1356       3.2510     -0.00000
   1357       3.2624     -0.00000
   1358       3.2816     -0.00000
   1359       3.3205     -0.00000
   1360       3.3327     -0.00000
   1361       3.3668     -0.00000
   1362       3.4029     -0.00000
   1363       3.4221     -0.00000
   1364       3.4886     -0.00000
   1365       3.5535     -0.00000
   1366       3.5951     -0.00000
   1367       3.6227     -0.00000
   1368       3.6434     -0.00000
   1369       3.6510     -0.00000
   1370       3.6775     -0.00000
   1371       3.6837     -0.00000
   1372       3.7067     -0.00000
   1373       3.7807     -0.00000
   1374       3.7921     -0.00000
   1375       3.8187     -0.00000
   1376       3.8292     -0.00000
   1377       3.8765     -0.00000
   1378       3.8842     -0.00000
   1379       3.9484     -0.00000
   1380       3.9594     -0.00000
   1381       3.9703     -0.00000
   1382       3.9783     -0.00000
   1383       3.9861     -0.00000
   1384       3.9990     -0.00000
   1385       4.0002     -0.00000
   1386       4.0324     -0.00000
   1387       4.0372     -0.00000
   1388       4.0627     -0.00000
   1389       4.0849     -0.00000
   1390       4.0932      0.00000
   1391       4.1092      0.00000
   1392       4.1233      0.00000
   1393       4.1428      0.00000
   1394       4.1566      0.00000
   1395       4.1750      0.00000
   1396       4.1816      0.00000
   1397       4.1913      0.00000
   1398       4.2052      0.00000
   1399       4.2128      0.00000
   1400       4.2221      0.00000
   1401       4.2381      0.00000
   1402       4.2487      0.00000
   1403       4.2503      0.00000
   1404       4.2702      0.00000
   1405       4.2824      0.00000
   1406       4.2957      0.00000
   1407       4.3076      0.00000
   1408       4.3252      0.00000
   1409       4.3392      0.00000
   1410       4.3544      0.00000
   1411       4.3657      0.00000
   1412       4.3831      0.00000
   1413       4.3896      0.00000
   1414       4.4054      0.00000
   1415       4.4148      0.00000
   1416       4.4308      0.00000
   1417       4.4636      0.00000
   1418       4.4658      0.00000
   1419       4.4784      0.00000
   1420       4.4893      0.00000
   1421       4.5235      0.00000
   1422       4.5381      0.00000
   1423       4.5495      0.00000
   1424       4.5620      0.00000
   1425       4.5791      0.00000
   1426       4.5985      0.00000
   1427       4.6100      0.00000
   1428       4.6245      0.00000
   1429       4.6271      0.00000
   1430       4.6448      0.00000
   1431       4.6591      0.00000
   1432       4.6665      0.00000
   1433       4.6850      0.00000
   1434       4.7054      0.00000
   1435       4.7142      0.00000
   1436       4.7186      0.00000
   1437       4.7265      0.00000
   1438       4.7658      0.00000
   1439       4.8038      0.00000
   1440       4.8109      0.00000
   1441       4.8211      0.00000
   1442       4.8301      0.00000
   1443       4.8347      0.00000
   1444       4.8533      0.00000
   1445       4.8684      0.00000
   1446       4.8738      0.00000
   1447       4.8890      0.00000
   1448       4.9107      0.00000
   1449       4.9233      0.00000
   1450       4.9281      0.00000
   1451       4.9447      0.00000
   1452       4.9493      0.00000
   1453       4.9598      0.00000
   1454       4.9763      0.00000
   1455       4.9863      0.00000
   1456       5.0019      0.00000
   1457       5.0057      0.00000
   1458       5.0142      0.00000
   1459       5.0266      0.00000
   1460       5.0326      0.00000
   1461       5.0455      0.00000
   1462       5.0552      0.00000
   1463       5.0754      0.00000
   1464       5.0861      0.00000
   1465       5.0881      0.00000
   1466       5.0955      0.00000
   1467       5.1147      0.00000
   1468       5.1275      0.00000
   1469       5.1304      0.00000
   1470       5.1483      0.00000
   1471       5.1595      0.00000
   1472       5.1736      0.00000
   1473       5.1775      0.00000
   1474       5.1843      0.00000
   1475       5.1942      0.00000
   1476       5.2080      0.00000
   1477       5.2182      0.00000
   1478       5.2344      0.00000
   1479       5.2583      0.00000
   1480       5.2734      0.00000
   1481       5.2748      0.00000
   1482       5.2914      0.00000
   1483       5.2948      0.00000
   1484       5.3058      0.00000
   1485       5.3200      0.00000
   1486       5.3402      0.00000
   1487       5.3521      0.00000
   1488       5.3603      0.00000
   1489       5.3684      0.00000
   1490       5.3812      0.00000
   1491       5.3928      0.00000
   1492       5.3991      0.00000
   1493       5.4169      0.00000
   1494       5.4382      0.00000
   1495       5.4427      0.00000
   1496       5.4580      0.00000
   1497       5.4648      0.00000
   1498       5.4753      0.00000
   1499       5.4800      0.00000
   1500       5.5051      0.00000
   1501       5.5286      0.00000
   1502       5.5475      0.00000
   1503       5.5556      0.00000
   1504       5.5658      0.00000
   1505       5.5770      0.00000
   1506       5.5944      0.00000
   1507       5.5971      0.00000
   1508       5.6148      0.00000
   1509       5.6263      0.00000
   1510       5.6399      0.00000
   1511       5.6545      0.00000
   1512       5.6681      0.00000
   1513       5.6731      0.00000
   1514       5.6813      0.00000
   1515       5.6883      0.00000
   1516       5.7067      0.00000
   1517       5.7154      0.00000
   1518       5.7316      0.00000
   1519       5.7371      0.00000
   1520       5.7498      0.00000
   1521       5.7600      0.00000
   1522       5.7700      0.00000
   1523       5.7733      0.00000
   1524       5.7785      0.00000
   1525       5.8041      0.00000
   1526       5.8085      0.00000
   1527       5.8303      0.00000
   1528       5.8356      0.00000
   1529       5.8430      0.00000
   1530       5.8551      0.00000
   1531       5.8601      0.00000
   1532       5.8644      0.00000
   1533       5.8819      0.00000
   1534       5.8897      0.00000
   1535       5.8935      0.00000
   1536       5.9064      0.00000
   1537       5.9177      0.00000
   1538       5.9331      0.00000
   1539       5.9338      0.00000
   1540       5.9470      0.00000
   1541       5.9474      0.00000
   1542       5.9671      0.00000
   1543       5.9760      0.00000
   1544       5.9882      0.00000
   1545       5.9935      0.00000
   1546       5.9965      0.00000
   1547       6.0142      0.00000
   1548       6.0246      0.00000
   1549       6.0313      0.00000
   1550       6.0366      0.00000
   1551       6.0564      0.00000
   1552       6.0651      0.00000
   1553       6.0719      0.00000
   1554       6.0794      0.00000
   1555       6.0852      0.00000
   1556       6.0944      0.00000
   1557       6.1045      0.00000
   1558       6.1074      0.00000
   1559       6.1165      0.00000
   1560       6.1227      0.00000
   1561       6.1292      0.00000
   1562       6.1395      0.00000
   1563       6.1406      0.00000
   1564       6.1577      0.00000
   1565       6.1717      0.00000
   1566       6.1751      0.00000
   1567       6.1815      0.00000
   1568       6.2067      0.00000
   1569       6.2139      0.00000
   1570       6.2209      0.00000
   1571       6.2249      0.00000
   1572       6.2322      0.00000
   1573       6.2360      0.00000
   1574       6.2470      0.00000
   1575       6.2668      0.00000
   1576       6.2694      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.082  13.405  -0.001   0.001  -0.000   0.002  -0.005   0.001
 13.405  17.821  -0.001   0.002  -0.000   0.002  -0.007   0.001
 -0.001  -0.001  -4.226   0.002  -0.000   8.265  -0.004   0.001
  0.001   0.002   0.002  -4.227   0.001  -0.004   8.265  -0.002
 -0.000  -0.000  -0.000   0.001  -4.218   0.001  -0.002   8.254
  0.002   0.002   8.265  -0.004   0.001 -18.293   0.006  -0.001
 -0.005  -0.007  -0.004   8.265  -0.002   0.006 -18.291   0.002
  0.001   0.001   0.001  -0.002   8.254  -0.001   0.002 -18.280
 total augmentation occupancy for first ion, spin component:           1
  8.653  -3.925   0.164   0.190  -0.024   0.020   0.034  -0.005
 -3.925   1.853  -0.083  -0.120   0.010  -0.008  -0.020   0.003
  0.164  -0.083   1.794  -0.036   0.010   0.171  -0.009   0.002
  0.190  -0.120  -0.036   1.926  -0.094  -0.008   0.182  -0.014
 -0.024   0.010   0.010  -0.094   1.247   0.002  -0.014   0.082
  0.020  -0.008   0.171  -0.008   0.002   0.018  -0.001   0.000
  0.034  -0.020  -0.009   0.182  -0.014  -0.001   0.019  -0.002
 -0.005   0.003   0.002  -0.014   0.082   0.000  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -59320.96486122442.96765 45248.28150-12809.00165  5899.72243 31753.34820
  Hartree -4150.48632149538.02728 83385.72304-13302.57016  3704.72255 26193.50027
  E(xc)  -10759.81893-10627.92092-10666.73269     2.87716     8.62013    27.94890
  Local   30105.69189************************ 26128.01434 -9597.57400-57399.19457
  n-local -5891.48463 -5972.53384 -6055.85833     8.00071    16.33254   -51.50235
  augment  1487.64958  1534.57575  1482.28778     2.74118    12.21797    -2.92275
  Kinetic 45834.59763 43273.68714 44030.23136   -70.58500  -133.24134  -533.39294
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      213.0430890   -383.6538418    133.6777543    -40.5234211    -89.1997206    -12.2152392
  in kB       35.5266404    -63.9773490     22.2918355     -6.7576048    -14.8747674     -2.0369889
  external PRESSURE =      -2.0529577 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.331E+03 -.127E+03 0.257E+03   0.332E+03 0.127E+03 -.259E+03   0.284E+00 -.637E+00 0.122E+01   -.103E-03 -.796E-04 0.738E-04
   -.300E+03 -.152E+03 0.360E+02   0.301E+03 0.153E+03 -.352E+02   0.132E-01 -.948E+00 -.119E+00   -.370E-04 -.632E-04 0.244E-04
   -.255E+03 -.147E+03 -.309E+01   0.255E+03 0.149E+03 0.514E+01   0.432E-01 -.914E+00 -.189E+01   -.234E-04 -.401E-04 0.213E-04
   -.297E+03 -.116E+03 0.362E+03   0.298E+03 0.116E+03 -.364E+03   0.570E-01 0.236E+00 0.205E+01   -.184E-03 -.618E-04 0.985E-04
   -.248E+03 -.164E+03 0.325E+03   0.248E+03 0.165E+03 -.326E+03   0.965E-01 -.508E+00 0.983E+00   -.143E-03 -.229E-04 0.112E-03
   -.212E+03 -.137E+03 0.173E+03   0.212E+03 0.137E+03 -.173E+03   0.540E+00 -.953E-01 0.272E+00   -.482E-04 0.108E-04 0.597E-04
   -.358E+03 -.133E+03 0.175E+03   0.359E+03 0.137E+03 -.176E+03   0.429E+00 -.456E+01 0.479E+00   -.724E-04 -.104E-03 0.881E-04
   -.280E+03 -.110E+03 -.107E+02   0.281E+03 0.115E+03 0.105E+02   -.276E+00 -.396E+01 0.209E+01   0.103E-04 -.104E-03 -.198E-04
   -.151E+03 0.907E+01 0.208E+03   0.152E+03 -.900E+01 -.208E+03   0.555E-01 -.347E-01 0.272E+00   0.207E-04 0.751E-04 0.410E-04
   -.138E+03 0.997E+02 0.783E+02   0.138E+03 -.101E+03 -.771E+02   0.254E+00 0.929E+00 -.123E+01   0.591E-04 0.694E-04 0.989E-06
   -.156E+03 0.143E+03 0.141E+03   0.156E+03 -.144E+03 -.141E+03   0.710E+00 0.557E+00 0.115E-02   0.952E-04 0.750E-04 -.204E-04
   -.162E+03 0.955E+01 0.349E+03   0.162E+03 -.992E+01 -.351E+03   -.189E+00 0.125E+00 0.115E+01   0.414E-04 0.126E-03 0.111E-03
   -.169E+03 -.185E+02 0.384E+03   0.169E+03 0.194E+02 -.386E+03   -.326E+00 -.882E+00 0.194E+01   0.123E-03 0.107E-03 0.751E-04
   -.180E+03 0.573E+02 0.330E+03   0.180E+03 -.574E+02 -.332E+03   0.782E-01 0.444E+00 0.131E+01   0.133E-03 0.701E-04 -.456E-05
   -.178E+03 0.127E+03 0.290E+03   0.177E+03 -.131E+03 -.291E+03   0.147E+01 0.456E+01 0.180E+01   0.146E-03 0.561E-04 -.217E-04
   -.194E+03 0.167E+03 0.804E+02   0.194E+03 -.171E+03 -.816E+02   0.284E+00 0.302E+01 0.299E+01   0.963E-04 0.799E-04 -.872E-05
   -.185E+03 0.142E+03 0.501E+02   0.186E+03 -.139E+03 -.463E+02   -.471E+00 -.493E+01 -.442E+01   0.969E-04 0.151E-04 -.323E-05
   -.103E+03 0.234E+03 -.186E+03   0.103E+03 -.236E+03 0.187E+03   0.105E+01 0.147E+01 -.212E+01   0.875E-04 0.168E-04 0.328E-04
   -.733E+02 0.164E+03 -.216E+03   0.731E+02 -.164E+03 0.219E+03   0.283E+00 0.288E-01 -.153E+01   0.800E-04 -.266E-05 0.196E-04
   -.174E+03 0.135E+03 0.187E+03   0.176E+03 -.135E+03 -.191E+03   -.812E+00 -.769E+00 0.291E+01   0.800E-04 -.132E-04 -.542E-05
   -.115E+03 0.102E+03 0.303E+01   0.114E+03 -.104E+03 -.178E+01   0.158E+01 0.257E+01 -.126E+01   0.484E-04 -.130E-04 0.133E-04
   -.905E+02 0.420E+02 -.164E+03   0.908E+02 -.420E+02 0.165E+03   0.316E+00 -.407E+00 -.918E+00   0.612E-04 -.380E-05 0.234E-04
   -.102E+03 -.272E+02 -.219E+03   0.102E+03 0.276E+02 0.219E+03   -.110E-01 -.706E+00 0.634E+00   0.553E-04 0.110E-04 0.287E-04
   -.645E+02 -.861E+02 -.306E+03   0.655E+02 0.884E+02 0.305E+03   -.106E+01 -.229E+01 0.105E+01   0.766E-04 0.363E-04 -.312E-04
   -.358E+02 -.154E+03 -.407E+03   0.355E+02 0.155E+03 0.409E+03   0.392E+00 -.595E+00 -.172E+01   0.736E-04 0.679E-04 -.442E-04
   -.165E+03 -.170E+03 -.209E+03   0.166E+03 0.170E+03 0.206E+03   -.801E+00 -.443E+00 0.242E+01   0.265E-04 0.176E-04 0.530E-04
   -.130E+03 -.316E+03 -.239E+03   0.130E+03 0.318E+03 0.238E+03   -.559E-01 -.973E+00 0.626E+00   0.971E-05 0.709E-04 0.481E-04
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 -----------------------------------------------------------------------------------------------
   0.544E+01 0.835E+02 0.202E+02   0.326E-10 0.625E-12 0.171E-12   -.544E+01 -.835E+02 -.202E+02   0.365E-03 -.874E-03 -.127E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.66303      3.14701      1.41617         0.683562     -0.191597     -0.716308
     12.49652      3.57874      2.70845         0.545189      0.257032      0.703702
     12.51778      4.96039      3.01153         0.301972      0.745984      0.163532
     12.81427      4.06529      0.37778         0.283305      0.122313     -0.391691
     12.85486      5.43289      0.67175         0.133762      0.216810     -0.103400
     12.70868      5.94849      1.98380         0.319616     -0.272750      0.294748
     12.65835      1.66832      1.37654         1.246633     -0.578417     -1.041954
     12.25672      2.35452      3.55524         0.572284      0.309511      1.974221
     12.82599      7.46212      2.21352         0.157198      0.036318      0.285085
     12.72469      8.09971      3.49203         0.218686     -0.727203     -0.083739
     12.97318      9.47477      3.65274         0.446030     -0.309364      0.588245
     13.13582      8.32972      1.13115         0.040983     -0.245825     -0.108574
     13.32966      9.70722      1.29111         0.046243      0.090189     -0.514754
     13.25231     10.26864      2.56291         0.229213      0.307619     -0.329395
     13.43223     11.68045      3.00325         1.117790      0.353323      0.111238
     13.03898     10.33955      4.90163         0.294403     -1.457405      1.816278
     13.46144     12.84887      5.35054         0.531761     -1.277981     -0.619850
     13.12278     12.76736      6.68981         0.597772     -1.072149     -0.453435
     13.22811     13.88556      7.45056         0.002413      0.042380      1.798527
     13.77295     14.13265      4.87953         0.789955     -0.318233     -0.631644
     13.82321     15.25078      5.70878         0.815548      0.769164     -0.006320
     13.55304     15.18894      7.08903         0.633031     -0.411917     -0.023743
     13.64036     16.29890      8.08048         0.342734     -0.337313     -0.013566
     13.19921     16.20181      9.41066        -0.014498     -0.002832      0.343712
     13.35057     17.26076     10.30081         0.108892      0.254479      0.259822
     14.17987     17.54584      7.77359         0.571005      0.043716     -0.440889
     14.30924     18.62658      8.59950         0.320339      0.474097      0.365683
     13.91122     18.47317      9.90219        -0.035933      0.105496      0.782089
     12.55701     14.97648      9.92840        -1.030697     -0.006058      1.764235
     14.29101     16.54046      5.11866        -0.136930      0.934489     -1.638247
      9.72303      3.82561      4.79937        -0.409279     -0.681336      0.769035
      9.93686      4.75253      3.81805        -0.181010      0.284100     -0.704634
     10.04609      6.10358      4.14621        -0.161197      0.881619      0.406595
      9.57554      4.20434      6.12693         0.112845      0.094272      0.212501
      9.67906      5.54955      6.47438         0.046485      0.006618      0.215958
      9.94978      6.54333      5.50758         0.007120      0.202633     -0.574392
      9.63959      2.44745      4.25028         0.024628      1.988998     -0.802258
     10.06988      4.03171      2.50453        -0.938315      0.500408     -1.064582
     10.10224      7.99422      5.90845        -0.222137      0.384622     -0.376577
     10.39211      9.00831      4.94449        -0.351199     -1.079442     -0.509722
     10.46867     10.34529      5.28521        -0.072989     -0.047347     -0.595473
      9.92003      8.44006      7.24142        -0.162621     -0.378279     -0.064012
     10.04172      9.79032      7.59486        -0.127964     -0.094589      0.195613
     10.32185     10.71825      6.59380        -0.411985      0.680669      0.826061
     10.50180     12.18309      6.68528        -0.652913      0.034289     -0.152117
     10.88376     11.55412      4.48185        -1.567654     -0.378053     -2.885150
     11.08961     14.03713      4.97141        -0.677052      0.340502     -0.076002
     11.53666     14.39445      3.69511        -0.562902     -0.386350     -0.106509
     11.83142     15.71366      3.43488        -0.308726      0.398727     -1.042122
     11.02138     15.10725      5.89498        -0.751762     -0.096123      0.336170
     11.22260     16.46187      5.54704        -0.239315      0.050406      0.332324
     11.60432     16.83698      4.23682         0.228348     -0.133183      0.079316
     11.99120     18.22758      3.80227         0.399817      0.181601     -0.495739
     12.50145     18.59756      2.52670        -0.729871     -0.177710      0.129752
     12.53256     19.97377      2.17792         0.637678      0.113689     -0.477052
     11.85844     19.33172      4.64457        -0.072034     -0.325988      1.109332
     11.98187     20.66633      4.38148         0.463539      0.953765     -0.161769
     12.30526     21.05977      3.08298         0.812114     -0.566831     -0.156007
     12.66244     17.53071      1.40650         1.647041     -0.701035     -2.204757
     11.00416     17.50296      6.63665        -1.153057     -0.508314      1.645750
      9.94470      7.16327     14.58312         0.710458     -1.205935     -0.516109
      9.78689      7.60791     15.85886         1.096898      0.195676      1.734871
      9.86283      8.97228     16.17731         0.569679      1.030605      0.121050
     10.07581      8.06436     13.54839         0.585050      1.304133     -1.025575
     10.14866      9.46795     13.84224         0.141490     -0.568624     -0.212549
     10.04773      9.97490     15.15748         0.413532     -0.276724      0.663798
      9.80038      5.68079     14.60536         1.137845     -1.104111     -3.439971
      9.54101      6.40891     16.74167         0.599646      0.060759      1.498804
     10.16538     11.48351     15.46531         0.307204     -0.127334      0.384438
     10.08968     12.05574     16.78221         0.262365     -0.563481     -0.169961
     10.25880     13.44385     17.00492         0.298364     -0.266665      0.482110
     10.43763     12.40105     14.41692         0.108391     -0.076880     -0.106389
     10.59302     13.77388     14.64109         0.124448      0.101434     -0.511567
     10.47672     14.28371     15.93612         0.320435      0.349555     -0.349051
     10.54061     15.70534     16.37946         0.848301     -0.171333      0.664644
     10.17838     14.28919     18.27837         0.610746     -0.513969      0.987120
     10.38049     16.87140     18.73120         0.656316     -0.359439     -0.620503
     10.10673     16.80643     20.07992         0.189980     -0.849374     -0.332523
     10.01690     17.97090     20.78463        -0.413014      0.177743      1.423338
     10.55834     18.20343     18.25607         0.783088     -0.609553     -0.601095
     10.51281     19.35474     19.03775         0.931758      0.431222      0.132728
     10.24741     19.30047     20.42754         0.311501     -0.290867     -0.250371
     10.24598     20.43699      0.13539        -0.531974      0.089526      0.249807
      9.82867     20.38710      1.48947        -0.651582     -0.815378      0.703460
      9.80273      0.21104      2.35358        -0.710006     -0.495293     -0.343111
     10.56098      0.49533     21.07757        -0.260263      0.328079     -0.502655
     10.33165      1.64027      0.56125        -0.012429      0.602143     -0.075869
      9.98990      1.51473      1.89041        -0.793513      0.890553      0.693108
      9.47371     19.08900      2.13279         0.654752     -0.831077      1.205707
     10.81876     20.66400     18.40580         1.083137      1.428965     -1.228068
      7.14029      7.58579     17.53344        -0.451182      0.109455      0.425369
      7.36674      8.52235     16.55455        -0.606725      0.124745     -0.184564
      7.50246      9.88142     16.88138        -0.342672      1.006796      0.182139
      7.06688      7.98275     18.87531        -0.096841     -0.377733      0.154120
      7.11394      9.33423     19.19264         0.001190      0.379220      0.306400
      7.34827     10.35130     18.22212        -0.247874     -0.113818     -0.561542
      7.01424      6.23607     16.92543        -0.616920     -0.432850      0.237975
      7.47766      7.78674     15.24613        -1.645753      1.071377     -2.425320
      7.37262     11.82397     18.62341        -0.193556      0.369518     -0.406321
      7.63839     12.91506     17.72657        -0.307245     -0.814571     -0.400837
      7.61504     14.25066     18.14434        -0.237998     -0.070480     -0.800664
      7.06449     12.21099     19.94098         0.008479     -0.041956      0.182234
      7.03618     13.55777     20.34779         0.098302     -0.171507      0.109820
      7.31735     14.56871     19.43848        -0.497294      0.128853      1.037039
      7.38040     16.04194     19.62550        -0.667605      0.163642      0.758196
      7.96364     15.53262     17.45845        -0.820874     -0.141230     -2.918605
      7.90775     18.02040     18.07501        -0.627857      0.544938     -0.096292
      8.49658     18.44223     16.88211        -0.242660     -0.478642     -0.222229
      8.78004     19.78372     16.68972        -0.704517      0.323201     -0.769940
      7.62895     19.08312     18.98308        -0.938826     -0.540987      0.469178
      7.75648     20.44881     18.66216        -0.386811      0.206619     -0.245907
      8.26127     20.88442     17.40235         0.296679     -0.283229      0.399190
      8.60201      1.06352     17.02703         0.111771      0.351985     -0.425356
      8.98650      1.43853     15.72526        -0.053145     -0.540500     -0.022295
      9.23348      2.78819     15.38174         0.715447      0.003469     -0.195586
      8.65531      2.18093     17.91330        -0.645728     -0.850288      0.771507
      8.88450      3.49670     17.61067         0.422538      1.156249      0.558175
      9.20817      3.86317     16.29942         0.881895     -0.451292     -0.460594
      9.13852      0.41383     14.61773         0.363648     -2.303975      0.201181
      7.36903      0.22274     19.70288        -2.066182     -0.453313      1.251169
      7.03726     10.83218      6.13943         0.029962     -0.193869     -0.901570
      6.84777     11.30565      7.40789        -0.205534      0.097884      0.706064
      6.96544     12.66637      7.70021         0.062047      0.865038      0.148774
      7.37988     11.69922      5.10219         0.004765      0.168862     -0.354767
      7.51401     13.06971      5.38016        -0.036954      0.165489     -0.008267
      7.29790     13.61405      6.67630        -0.143390     -0.121801      0.241925
      6.86276      9.35044      6.13364         0.106833      0.834994      0.025483
      6.53962     10.11598      8.28052         0.045302      0.618899      0.953207
      7.41274     15.12100      6.91376        -0.155077      0.059794      0.192819
      7.12319     15.76755      8.15833        -0.018573     -0.817470     -0.118800
      7.24697     17.15755      8.29016        -0.134826     -0.026085      0.697710
      7.80031     15.98296      5.85018        -0.217943     -0.224446      0.003897
      7.87818     17.37061      6.00275        -0.164123      0.025674     -0.681873
      7.62508     17.95300      7.24422        -0.100226      0.368247     -0.681321
      7.73312     19.37856      7.69830         0.025801      0.001418     -0.491357
      7.07072     18.06539      9.47540         0.097563     -0.635705      0.351041
      7.37176     20.60165      9.93006         0.630638     -0.005661     -0.335456
      6.93802     20.57003     11.24728         0.358285     -1.066113     -0.721967
      6.80904      0.47046     11.93500        -0.228461      0.074100      2.222269
      7.73928      0.64796      9.53322         0.582033     -0.629611     -0.758472
      7.73555      1.77191     10.37064         0.779172      0.366629      0.379111
      7.27392      1.75517     11.70091         0.616415     -0.178612     -0.192971
      7.29801      2.87992     12.71289         0.032265     -0.128491      0.542782
      6.88376      2.90117     14.07329        -0.683574     -1.000098      0.700136
      6.88668      3.98241     14.93923        -0.850542     -0.735377      0.284181
      7.74564      4.15104     12.44027         0.533795      1.183865     -0.074536
      7.68237      5.31139     13.23734        -0.439813      0.607900      0.049508
      7.21435      5.25753     14.54533        -0.162532      1.371446      0.075866
      6.26798      1.71391     14.67952         2.075388     -2.521508     -0.829488
      8.27372      3.03636      9.85962         1.286214      0.631864     -1.919443
      4.02703     11.49552     10.75774         0.073419     -0.321579      0.490063
      3.74822     12.37625      9.73805        -0.143537      0.276463     -0.545771
      3.82340     13.75939      9.94477         0.030658      0.681397      0.097725
      4.36256     11.97516     12.02700         0.148175     -0.059329      0.488391
      4.42192     13.36145     12.25874        -0.015225      0.120073     -0.168641
      4.16780     14.30767     11.22620        -0.034251     -0.108666     -0.279441
      3.88284     10.09809     10.25986         0.132554     -0.457011      0.642097
      3.37713     11.56599      8.51271         0.036376      0.439914     -0.216607
      4.27491     15.80957     11.48265        -0.051860     -0.137578     -0.329475
      4.14403     16.76664     10.43195        -0.276805     -1.458232     -0.301169
      4.26016     18.11622     10.66022        -0.324562      0.726375     -0.271977
      4.55483     16.31946     12.78085         0.126854     -0.571771     -0.290404
      4.71690     17.68333     12.99750         0.113117     -0.003264     -0.372920
      4.52044     18.54391     11.92091         0.218829      1.339215      0.861969
      4.60537     20.07842     11.95104        -2.113338    -10.007702    -12.435308
      4.31855     19.31582      9.73735        -0.630232     -0.355199      0.128649
      4.69136      0.62847     10.10741        -0.703429     -0.641571     -0.070094
      4.95794      0.94768      8.77801        -0.401849     -0.065685     -0.009336
      5.24259      2.26283      8.44992         0.183193      0.405494     -1.003462
      4.69001      1.74370     10.97980        -0.848245     -0.020613      0.269689
      4.90889      3.08717     10.58085        -0.269655      0.492377      0.509739
      5.30347      3.41340      9.25856         0.163418     -0.430753      0.249098
      5.83311      4.79452      8.76103        -0.106347      0.142418     -0.835890
      6.20739      5.09656      7.42723        -0.139921     -0.409713      0.149612
      6.44330      6.43398      7.05465         0.589050      0.803041      0.017038
      5.82416      5.95465      9.54658        -0.718271     -1.360010      1.596069
      6.01371      7.24658      9.21848         0.543840      2.564773      0.197630
      6.32569      7.58062      7.90223         0.721721     -0.914676     -0.646921
      6.21343      3.97257      6.35979         1.789134      0.225433     -1.547671
      4.80783      4.15335     11.67120        -1.479283     -0.381439      1.821617
      1.41949     14.35561      0.63447        -0.666156     -0.749301      0.059957
      1.87878     14.75432      1.86415        -0.068593      0.118500      0.866478
      1.77012     16.12415      2.21552        -0.327525      0.740553      0.298019
      0.83685     15.27147     21.01063        -0.444568     -0.393199     -1.221823
      0.85884     16.62242      0.02038        -0.524750      0.532247      0.258339
      1.25972     17.12165      1.29547        -0.310526     -0.283180      0.118431
      1.59489     12.87700      0.49130        -3.045397     -0.466520     -0.911074
      2.46733     13.51747      2.54667         0.105759     -0.510982      0.524632
      1.08963     18.63252      1.51486        -0.001244     -0.039335      0.523153
      1.42967     19.32348      2.72147        -0.138116     -0.734773     -0.266727
      1.29745     20.71345      2.80689         0.074253     -0.342208      0.978883
      0.56997     19.45623      0.47059        -0.306634      0.044730     -0.355913
      0.41467     20.84789      0.58389        -0.144995     -0.247837      0.008685
      0.79258      0.20132      1.77980        -0.722936      0.213118     -1.049786
      0.82914      1.65228      2.11427        -0.604902     -0.333837     -0.615230
      1.66823      0.40510      3.90963        -0.059923     -0.313978      0.337236
      1.55772      2.97459      4.12454        -0.234697     -0.932745     -0.284548
      2.09312      2.92283      5.39166        -0.274174      0.028726     -0.478874
      2.25806      4.12201      6.02205         0.336066     -0.411258      1.224227
      1.20921      4.24248      3.65225        -0.581239      0.079603     -0.644409
      1.44716      5.41974      4.36145        -0.774707      0.385769     -0.154690
      2.06515      5.43709      5.62751        -0.887710      0.189146     -0.369811
      2.35767      6.65525      6.44612         0.140323     -0.594931      1.257857
      2.98584      6.61429      7.69010        -0.787080     -1.842564      1.046534
      3.34851      7.70027      8.48486        -0.337412      0.683846     -0.172914
      2.20000      7.98392      6.10679        -0.697417      0.451769     -1.507462
      2.62931      9.10475      6.75289        -0.079246      1.947015      0.396595
      3.17879      9.02539      8.03809         0.045022     -0.089594      0.523314
      3.14780      5.25948      8.33395         0.296057      0.479671     -0.309304
      0.91672      6.67870      3.77844        -0.670004      1.466727     -1.480333
      4.60455     14.03853      0.75037         0.407200     -0.101289      0.167343
      3.88223     14.96483      0.01641         0.109445      0.230142     -0.637534
      3.90373     16.34093      0.37161         0.295626      0.636506     -0.048755
      5.40242     14.49288      1.80782         0.254058     -0.049467      0.411465
      5.42835     15.85521      2.15948         0.078758      0.196620      0.111634
      4.67507     16.85685      1.47926        -0.040555     -0.235266     -0.489409
      4.44523     12.66135      0.18094         0.903731     -0.926620      0.092566
      3.18386     14.17283     20.18061        -0.316330     -0.213681     -2.526332
      4.75470     18.35123      1.91766        -0.011311      0.475153     -0.093719
      4.06238     19.45956      1.30474         0.031452     -0.529617     -0.318239
      4.18932     20.79521      1.76876        -0.155255      0.004737     -0.568770
      5.59611     18.74122      3.00793        -0.007313     -0.084184     -0.000936
      5.73268     20.07375      3.45344         0.221127     -0.215157      0.306380
      5.00709     21.09504      2.82856         0.409944     -0.048260      0.441681
      4.98237      1.31569      3.10297         0.050597     -0.599974     -0.288393
      3.58820      0.86239      1.31290        -0.283278      0.162855     -0.828870
      3.77117      3.37979      2.15540         0.048905     -0.517375     -0.634687
      2.92528      3.93159      1.18684         0.290741      0.544087      0.570915
      2.65263      5.30241      1.23703         0.342556      0.080041     -1.270312
      4.22144      4.32196      3.09002         0.798607     -0.225072      0.483224
      4.01166      5.71928      2.99173         0.526307     -0.195412     -0.047253
      3.31868      6.34945      1.94956         0.174375     -0.118471      0.110348
      3.24197      7.93971      1.78660        -1.182459     -0.004740     -0.821421
      2.35714      8.58515      0.87488        -0.368801     -0.881734      0.634166
      2.11503      9.93133      0.74318        -0.247602      1.305836      0.767500
      3.62804      8.93602      2.66305         1.639826      0.135816      2.172468
      3.31729     10.29214      2.70778         0.543545      1.550599      0.829788
      2.56720     10.90178      1.70275        -0.391761     -0.501065     -0.565026
      1.78072      7.61842     21.20475        -1.210266      0.237380     -0.959512
      4.62801      6.56510      4.02552         0.971857      0.169691      2.145822
     18.35868     17.31096     13.28467        -0.833951     -0.156608     -0.045618
     19.40402     17.79158     14.04030         0.103898      0.100991      0.536401
     19.57882     19.16820     14.20534        -0.132190      0.880616      0.251467
     17.45108     18.19058     12.68567        -0.367303      0.006283     -0.129218
     17.61800     19.56862     12.85476        -0.070011      0.328669      0.093066
     18.67913     20.11234     13.62411         0.161340     -0.172125      0.441042
     18.39631     15.83226     13.28728        -0.751173     -0.711973      0.666807
     20.22834     16.63112     14.47929         1.442952      0.613324      2.680078
     18.81028      0.35267     13.86059         0.100389      0.053825      0.136407
     19.87857      0.95258     14.61002        -0.195488     -1.148185     -0.132734
     19.86717      2.31421     14.89413         0.369847     -0.066568      0.770822
     17.79451      1.23675     13.40859         0.025113     -0.211677     -0.057263
     17.81223      2.60442     13.70989        -0.525310     -0.037323     -0.505396
     18.86347      3.12176     14.44936        -0.829394      0.860104     -0.231355
     19.07399      4.51447     14.94752        -0.057921     -0.720812      0.478820
     20.72107      3.16535     15.77960         1.802779     -1.673274      1.177835
     20.85750      5.61822     16.48118        -1.310023     -0.014736      0.017023
      0.86013      5.57115     17.02117         1.366918      0.833127      0.903169
      1.53154      6.78826     17.31244        -2.285127     -0.662103      1.479362
     20.32513      6.93424     16.43783        -1.172547     -0.060974      0.424585
     20.88540      8.05362     17.10587         0.030911      0.567333      0.683704
      0.94001      8.04498     17.61019         0.057450     -0.313850      0.360333
      1.70158      9.21051     18.29463        -0.333387     -0.944217      0.131783
      2.96453      9.15743     18.92733         1.340179     -0.425019      0.749213
      3.52507     10.24355     19.62574         1.560180     -0.305885      0.229003
      1.13337     10.40914     18.59166        -2.175308      1.919309     -1.369777
      1.74723     11.61905     19.00148         1.199150      0.186644      0.611063
      3.05220     11.57202     19.57015        -1.276746      0.367771     -0.006578
      3.75435      7.89537     18.95200        -0.085663     -2.341071      0.237047
     20.08921      9.31747     17.22215        -1.900109     -0.385464      0.132985
      2.05378     18.11641     14.10945        -0.104590     -0.286902      0.527268
      1.25371     19.05890     13.50649        -0.271264      0.288004     -0.531371
      1.41402     20.41522     13.81979         0.223093      0.600980     -0.060607
      3.08736     18.51947     14.94887         0.403207      0.039534      0.655584
      3.35251     19.88077     15.15798        -0.344220      0.123276      0.241910
      2.48143     20.88429     14.64931        -0.418052      0.191448     -0.018824
      1.62317     16.75738     13.75322         0.417986     -0.434051     -1.323302
      0.28311     18.37006     12.56525        -0.622556      1.231163     -0.935779
      2.67422      1.10991     14.94925        -0.834927      0.295431      0.050272
      1.83946      2.12892     14.38836        -0.315421     -1.913552     -0.505997
      2.02793      3.46310     14.66082        -0.127991      1.037615     -0.700822
      3.68366      1.57334     15.82314        -0.403325     -0.383178      0.317416
      3.91039      2.92882     16.08196        -0.232181     -0.331936      0.442494
      3.03796      3.82754     15.49759         0.773939      1.635689      0.204702
      3.04573      5.31928     15.64268        -2.408490     -3.473258     -3.226867
      1.24201      4.71765     14.28914        -1.699132     -1.277023     -2.454810
      1.39613      7.20187     14.82271         0.347230     -0.100569     -0.464885
      0.15146      7.53379     14.30036         0.286060     -0.012142     -0.772532
     20.99782      8.86670     14.28415        -0.501511     -0.310104     -1.076130
      2.02184      8.29274     15.49673         0.948299      0.371786     -1.068787
      1.58093      9.63828     15.39537         0.896242      0.351374     -0.038939
      0.40328     10.00292     14.71882        -0.401326     -0.212472     -0.043157
     20.99931     11.35577     14.67502        -0.572665      0.200639     -0.068502
     19.69211     11.62555     14.16713        -0.031376     -0.372612     -0.417715
     19.27957     12.96255     13.95183        -0.571971     -0.149097      0.277658
      0.38442     12.52716     15.06874         0.305434      0.020954      0.373145
     -0.02845     13.83169     14.98323        -0.207059      0.482906      0.274747
     20.02774     14.10686     14.35371        -0.860893     -0.376386      0.490426
     18.79504     10.48876     13.53994        -2.534924     -0.295625      0.325858
      2.38314     10.71458     16.06079         2.104023      0.032379     -0.415250
     16.20994      0.41967      5.12349        -0.965579     -0.312211     -0.639607
     17.05988      0.91803      6.06679         0.030257     -0.033107      0.944642
     17.11062      2.28106      6.36471        -0.279220      0.836554      0.401226
     15.30348      1.26285      4.49520        -0.269685      0.275282     -0.172558
     15.33419      2.63903      4.78249        -0.127933      0.128104     -0.096267
     16.25316      3.21176      5.69164         0.120557     -0.147863      0.329991
     16.44560     20.21734      4.94704        -0.753627     -0.187939     -0.493795
     17.80219     21.01180      6.62291         0.817712     -0.061796      1.881594
     16.27930      4.71610      5.95134         0.131517      0.013569      0.191198
     17.17514      5.33713      6.87657        -0.095408     -0.825929     -0.104274
     17.14000      6.71595      7.09282         0.499513     -0.038048      0.699452
     15.38274      5.59394      5.28247         0.012558     -0.186267     -0.023169
     15.37115      6.97786      5.51984        -0.406491      0.027974     -0.449672
     16.26256      7.53423      6.43375        -0.439151      0.391646     -0.411588
     16.46220      8.95119      6.88071        -0.377553     -0.083347     -0.392414
     17.89692      7.57650      8.07323        -0.516376     -0.404663      0.029223
     17.98389     10.11817      8.58543        -0.680149     -0.221311     -0.129035
     18.98851     10.00557      9.53011        -0.616099     -0.502644     -0.337353
     19.50239     11.13133     10.10766         0.640491      0.211669      1.008277
     17.55160     11.44765      8.37303        -0.765642     -0.527470     -0.357044
     18.03680     12.55325      9.06905        -0.224715      0.342521      0.481573
     19.08543     12.46172     10.02302        -0.377711     -0.255342      0.106587
     19.71849     13.58325     10.80914         0.093028     -0.310949      0.086986
     20.88879     13.53336     11.60265         1.338492     -0.479896      0.605834
      0.28393     14.61548     12.18779        -0.196894     -0.958347     -0.790619
     19.25483     14.88400     10.80978         0.056266      0.630576     -0.053046
     19.85232     16.01509     11.36537         0.359080      0.486319     -0.511287
     21.07054     15.90519     12.01220         0.653680      1.084415      0.340719
      0.32470     12.25126     11.89295         0.595037     -1.220272     -0.023368
     17.40616     13.86415      8.78728        -1.014597      1.188885     -1.426977
     20.18779      1.24767      6.19636         0.654537     -0.103931      0.093438
     19.64114      2.28922      5.47633         0.284030      0.366833     -0.593806
     19.78097      3.59957      5.89611         0.451654      0.801221      0.519058
     20.80272      1.49435      7.42260         0.473022     -0.262667      0.520802
     20.93275      2.81125      7.87842         0.089939      0.126296      0.115934
     20.45167      3.91279      7.12330        -0.169503      0.204512     -0.482340
     19.93125     -0.01505      5.45611         1.161810     -1.219767      0.706867
     18.92579      1.72430      4.27369         0.653302      0.975897      0.235956
     20.65076      5.35193      7.55111        -0.218555     -0.113618     -0.225781
     20.23808      6.40625      6.69510        -0.175675     -1.596615     -0.184830
     20.44626      7.70751      7.03109         0.029753      1.165398     -0.074919
     -0.01071      5.70957      8.78874        -0.274673     -0.577365     -0.050762
      0.23274      7.03510      9.13378        -0.247415      0.358575     -0.438327
     21.06122      8.00052      8.20504         1.066354      1.580980      1.477117
     21.15896      9.55318      8.36816        -4.771891     -7.722513     -9.320012
     20.02089      8.99299      6.37072         0.485306     -0.178063     -0.088978
     20.23548     11.52498      6.97793         0.194986     -0.976103     -0.654181
     19.44340     11.92454      5.90440         0.183957     -0.282832     -0.000673
     19.16580     13.26304      5.73850        -0.443556      0.195291     -1.060625
     20.75488     12.58859      7.74885         0.708582     -0.184067      0.262470
     20.51302     13.95420      7.47080         0.609609      0.041835      0.134826
     19.64451     14.37148      6.44045         0.025876     -0.186974     -0.197191
     19.13475     15.77235      6.19221        -0.004961      0.097097     -0.374309
     18.24266     16.14923      5.16564         0.325906     -0.093498     -0.258705
     17.76947     17.46111      5.03750        -0.184602      0.491573     -0.304745
     19.41967     16.86891      7.01128         0.947800     -0.072781      0.734879
     18.95397     18.15687      6.95720        -0.138149      0.733988      0.054274
     18.06179     18.49833      5.94589        -0.385250      0.172092     -0.112276
     17.80175     15.15114      4.14418        -0.942109      0.811508     -1.528488
     21.19256     15.00122      8.30665         1.635974      0.015376      0.733525
     12.24625      5.32373      4.01077         0.605856     -0.377942     -0.083762
     12.90654      3.74469     20.58909         0.034865     -0.057848      0.293540
     13.01789      6.14311     21.10430        -0.150439     -0.455170      0.181187
     12.41964      7.47358      4.33950         0.344205      0.262558      0.054279
     13.25440      7.89744      0.12606        -0.050939      0.356549      0.284881
     13.55119     10.32778      0.41126        -0.038647     -0.095627      0.242816
     13.01449     13.64868      8.46931         0.204525     -0.130786     -0.395794
     12.72731     11.84507      7.14334         0.720403      0.267043     -0.178691
     13.90623     14.28945      3.81550         0.522258     -0.119247      0.040943
     13.03376     17.13919     11.33029        -0.146820     -0.069269      0.167105
     14.41664     17.80103      6.78086         0.527988      0.006679      0.277883
     14.69413     19.58137      8.19378        -0.110635     -0.417459      0.277678
     10.23608      6.84468      3.36784        -0.135335     -0.136460     -0.100017
      9.34728      3.46324      6.88122         0.251299      0.012658     -0.179860
      9.51880      5.84237      7.52463         0.155833     -0.236596     -0.348117
     10.66821      8.67275      3.94045        -0.623986      0.401884      0.067327
      9.62013      7.70638      8.00587         0.222024      0.351146     -0.101898
      9.88359     10.09328      8.63812         0.100565      0.050174     -0.226944
     12.29018     15.83475      2.46945        -0.126683     -0.366547      0.706531
     11.78688     13.65696      2.91945        -0.350741      0.271380      0.352724
     10.83488     14.86959      6.93796        -0.312561      0.115622     -0.084756
     12.58757     20.20255      1.11548         0.597611      0.024942      0.123910
     11.69611     19.16640      5.69153         0.076094      0.422819     -0.672044
     11.81217      0.12550      5.19359         0.107378     -0.140947     -0.293796
      9.67542      9.33636     17.19713         0.522408     -0.485882     -0.157707
     10.09575      7.77598     12.47906         0.112802     -0.100014      0.606324
     10.29617     10.18159     13.00981        -0.179783     -0.533630      0.242724
      9.81042     11.39520     17.60953         0.351176      0.201724      0.074135
     10.55955     12.02042     13.39097        -0.055851      0.280601      0.298868
     10.82835     14.43869     13.79587        -0.154811     -0.133663      0.238588
      9.82183     17.74010      0.54184        -0.327088     -0.132325     -0.629572
      9.96280     15.86032     20.61860         0.049208      0.257213     -0.319626
     10.66199     18.35285     17.19788         0.725847     -0.084470     -0.260478
      9.72356     -0.00485      3.40122        -0.580618      0.113227      0.332827
     10.82107      0.74386     20.08570         0.890126      0.209669      0.444683
     10.59987      2.61142      0.11518        -0.495542     -0.398856      0.174214
      7.83033     10.59671     16.11857        -0.515935     -0.160175     -0.046350
      6.90368      7.23187     19.66012         0.138661      0.223769     -0.238451
      6.91455      9.63442     20.23307         0.282645     -0.261540     -0.263409
      7.96101     12.65021     16.72058        -0.548076      0.344880     -0.122224
      6.76803     11.45076     20.67749         0.286960      0.363348     -0.172575
      6.75550     13.80634      0.10925         0.378016     -0.051611     -0.111663
      9.49369     19.92892     15.89900        -0.231200     -0.224677      0.436141
      8.93932     17.75122     16.14329        -0.545198      0.260898      0.427492
      7.25723     18.83773     19.97702        -0.043897     -0.013241     -0.067287
      9.40901      3.02193     14.34100         0.394292     -0.024904     -0.130711
      8.51874      2.01422     18.98293         0.129284      0.334730     -0.659600
      8.79426      4.24114     18.43667         0.319220     -0.592741     -0.728258
      6.81366     13.04277      8.71639        -0.020164     -0.252416     -0.005180
      7.54939     11.33687      4.07742        -0.058239     -0.011641      0.287753
      7.81199     13.74501      4.55864        -0.187044     -0.409025      0.267552
      6.81377     15.13760      8.99905         0.030569      0.293474      0.082141
      8.05858     15.54183      4.87056        -0.102846      0.374034      0.404070
      8.20428     17.97312      5.14726        -0.269340     -0.096980      0.234112
      6.25686      0.30037     12.83573         0.210158      0.111403     -0.444345
      6.50228     19.66105     11.67772         0.831170      0.048833     -0.085910
      8.08600      0.78245      8.52352         0.144770      0.127322     -0.430280
      6.66199      3.74498     15.96704        -0.298771      0.267493      0.175199
      7.98715      4.41698     11.44884         0.638087      0.300949      0.389097
      7.98062      6.26186     12.77091        -0.321306     -0.352685      0.152718
      3.60065     14.46322      9.13683        -0.048371     -0.289297     -0.078662
      4.57169     11.29103     12.86477        -0.084937      0.106433     -0.342979
      4.66606     13.73111     13.26946        -0.050386     -0.325661     -0.378645
      3.99027     16.41965      9.42190        -0.126168     -0.134430     -0.444830
      4.60274     15.63720     13.64092         0.187300      0.226591     -0.302041
      4.91705     18.05505     14.00148         0.491061     -0.003739     -0.489909
      5.46530      2.35900      7.40319        -0.303742     -0.399079      0.588429
      4.95760      0.20110      7.97443        -0.036720      0.112259      0.284190
      4.54315      1.56364     12.03780        -0.389994      0.128085     -0.015706
      6.69432      6.61012      6.03189         0.374086      0.135933     -0.347158
      5.43624      5.86798     10.55401         0.452421      0.518731     -1.013844
      5.81801      8.03197      9.99988         0.393395     -0.786351     -0.777291
      2.09854     16.47122      3.19331         0.057536     -0.136159      0.197999
      0.51705     14.95825     19.99243        -0.003879      0.017440      0.898005
      0.54195     17.32804     20.47369         0.127318     -0.751427      0.650252
      1.81132     18.74554      3.55993         0.098968      0.099168      0.219849
      0.25070     19.01487     20.76649         0.189620      0.253908      0.521526
      0.03435      0.18869     21.00351         0.091070     -0.196302      0.219669
      2.61250      3.89423      6.97901        -0.463920     -0.266881     -0.250108
      2.35880      2.00116      5.90948        -0.107250      0.137318     -0.165059
      0.78848      4.32973      2.66142        -0.349363     -0.017077     -0.022458
      3.76647      7.52596      9.45193        -0.114552     -0.061028      0.485309
      1.90018      8.17470      5.10758        -0.406320      0.624776      0.169525
      2.50172     10.08253      6.23296         0.068965     -0.624581      0.503698
      3.24108     17.04496     21.12561         0.361900     -0.154751     -0.403019
      6.05602     13.78592      2.34906        -0.372965      0.214834     -0.079199
      6.07941     16.15819      2.99744        -0.235088     -0.260522     -0.325958
      3.39102     19.23717      0.47333         0.118669      0.234159     -0.097299
      6.18858     17.97072      3.52797        -0.212679      0.377789     -0.115195
      6.41441     20.30440      4.29164        -0.258609     -0.088187     -0.282939
      1.95853      5.52472      0.45734        -0.231349     -0.357491      0.317454
      2.39349      3.37024      0.42811         0.100257     -0.221488      0.041026
      4.80133      3.96994      3.93351         0.032463      0.029374     -0.052527
      1.61492     10.27186     21.11795        -0.782604     -0.026294     -0.034331
      4.08385      8.63445      3.60181         0.183763      0.829293     -0.924226
      3.72036     10.90157      3.57738        -0.504074     -0.719448     -0.993180
     20.48786     19.57563     14.65751        -0.333604     -0.362939      0.436086
     16.59749     17.82119     12.10333         0.209899     -0.035023      0.047256
     16.89966     20.26106     12.38237         0.213772     -0.462216      0.107039
     20.68252      0.28909     14.95523        -0.190826      0.395349      0.254342
     16.96160      0.83338     12.80890         0.242666      0.290121      0.301579
     16.98973      3.24055     13.36664         0.137787      0.014821      0.035540
      2.56262      6.68632     17.28623         1.035379      0.039032      0.408626
      1.52518      4.69921     16.94127        -0.732488      0.002721      0.531528
     19.38080      7.09730     15.92586        -0.198728     -0.085870      0.214353
      4.40105     10.05381     20.26547        -0.192947     -0.061500     -0.479620
      0.18327     10.63245     18.06825         1.416143      0.088445      1.612496
      1.29294     12.56385     18.65459         0.093472     -0.520252      0.776181
      0.71076     21.16252     13.44449         0.105040     -0.263688     -0.381163
      3.76843     17.76568     15.36978        -0.479355      0.211629      0.252397
      4.25727     20.17282     15.71353        -0.367874     -0.199894     -0.057606
      0.94975      1.78977     13.85706         0.167952      0.297157     -0.441989
      4.45946      0.86886     16.11931        -0.735454     -0.015005      0.715983
      4.78186      3.25647     16.66391        -0.478885     -0.052141      0.070750
     20.03739      8.94666     13.83346         0.298645     -0.236486      0.134310
     20.74812      6.78326     13.85122         0.339501      0.201789     -0.002944
      2.86714      8.11723     16.15001         0.535980      0.192439     -0.711839
     18.38433     13.11387     13.36182        -0.257234      0.015423      0.184410
      1.34807     12.47066     15.50465        -0.068248      0.497713     -0.886142
      0.65390     14.61784     15.31563        -0.293281     -0.167340      0.003617
     17.84757      2.68240      7.06482        -0.332732     -0.365210      0.225687
     14.54868      0.86478      3.81444         0.259808      0.002777     -0.029413
     14.60496      3.29360      4.27951         0.313631     -0.343791      0.145705
     17.89838      4.69892      7.39253        -0.108967      0.292484      0.176515
     14.67244      5.16770      4.55175         0.273170      0.364952      0.296383
     14.65691      7.60736      4.97502         0.207243     -0.088066      0.161015
     20.34183     10.88049     10.71791        -0.296423     -0.063335     -0.650833
     19.50635      9.06732      9.72349        -0.581291     -0.034468      0.238330
     16.77642     11.61024      7.64309        -0.283553      0.137880     -0.252831
      1.07128     14.34908     12.86240         0.631441      0.297212     -0.057790
     18.47633     15.14945     10.15985        -0.803741      0.303619      0.245245
     19.45327     17.00295     11.11700         0.064694     -0.241233      0.014883
     19.35844      4.40493      5.30114        -0.059767     -0.050547     -0.181525
     21.16247      0.66332      8.05647        -0.076516      0.300451     -0.388485
      0.20975      3.00030      8.82651        -0.378819     -0.221980     -0.381444
     19.71945      6.17655      5.78520        -0.172364     -0.074978     -0.555647
      0.33347      4.91357      9.46253        -0.526299      0.436321     -0.031095
      0.73076      7.27292     10.08791        -0.245855      0.135803     -0.362699
     18.51391     13.41357      4.90670         0.184370     -0.435790      0.389133
     19.02930     11.21522      5.17983         0.081150      0.080440      0.315985
      0.09668     12.35243      8.62167         0.278488      0.086901     -0.148924
     17.06042     17.66782      4.25010         0.130293      0.041851     -0.318653
     20.09154     16.75785      7.83454        -0.328628      0.381024     -0.551732
     19.37252     18.89579      7.65801        -0.437315     -0.322110     -0.205073
     14.04467     19.28763     10.60052        -0.149248      0.199745      0.425011
     18.67994     20.91816      3.71896         0.723913      0.744360      0.569230
     12.42242      1.19266      2.72236         0.562309      0.297097     -0.577348
     13.35438     11.65652      4.50598         0.941198      0.829224     -0.871094
      9.91589      2.60944      2.80829        -0.643394      0.136249     -0.016190
     10.83541     12.66963      5.31693        -0.673928     -0.058255      1.141053
      9.52993      5.21379     15.88637         0.594822      0.456909      0.901569
     10.38901     15.68230     17.89953         0.799623     -0.150654     -1.230083
      7.17719      6.37616     15.49035        -0.282906      0.876895      0.289242
      7.75440     16.61923     18.36220        -0.591895     -0.307417      0.174950
      6.52872      8.94160      7.45693         0.023174     -0.023109      0.215280
      7.35514     19.42974      9.07959         0.439219     -0.210328     -0.133325
      3.48355     10.15819      8.87270        -0.012449      0.440696      0.151316
      4.46563     20.49757     10.53598        -0.285974      1.286522      0.708607
      2.28033     12.31816      1.57308        -0.121553      1.195412      0.813258
      1.34896      1.75251      3.41508        -0.000051     -0.174773      0.275610
      3.60330     12.71735     20.28978         0.144421      1.193834      0.230281
      4.06167      1.94554      2.19893         0.506624     -0.838442     -0.043602
     19.60766     15.45011     14.11885        -1.792866      0.061054     -0.399944
     20.22040      4.47423     15.84916        -0.853564      0.407098      0.183341
      0.48876     16.99454     12.63338         1.544826     -0.335140      0.550939
      1.84576      5.83377     14.82818         2.213272      0.563502      0.095196
     17.47667     19.82459      5.84707        -0.332677      0.273680      0.193709
     17.50414      8.95903      7.85348        -0.196775     -0.019979      0.298103
     19.14925      0.34959      4.35116        -0.007489     -0.851755     -1.158229
     20.46928     10.08328      7.18164         0.955001      1.448791      0.976493
     12.01447      2.38023      4.78527         1.007371     -0.440405     -1.666194
     12.86608      0.98256      0.36343         0.755488      0.597805      1.484302
     12.79648      9.91808      6.06603         1.527314      0.910649     -2.015809
     13.72853     12.65093      2.30970        -0.339082     -0.869373      0.805777
     10.21856      4.53975      1.38158        -1.034247     -0.848821      1.229386
      9.42347      1.43974      4.85432        -0.496440     -1.267847      0.442829
     11.07384     11.54098      3.22198        -1.317378      0.305213      2.280540
     10.33069     12.87376      7.67080        -0.082323      0.114033     -0.264520
      9.32336      6.43652     17.96242         1.186406     -0.435746     -1.518867
      9.80712      4.99805     13.52733         1.845101      0.951482      2.674801
      9.95816     13.85151     19.41999         1.042118      0.752545     -1.188973
     10.78106     16.67999     15.69048         0.098691     -0.234591      0.506209
      7.62564      8.32125     14.11728        -1.152102     -1.093379      1.952154
      6.85853      5.18396     17.53925        -0.600732      0.557503     -0.486176
      8.28063     15.60416     16.23386        -1.557330      0.327367      1.974050
      7.11355     16.65212     20.66050         0.179624     -0.093986     -0.720410
      6.35148     10.18559      9.49762         0.454932     -0.450684     -0.785393
      7.01852      8.64742      5.16313         0.204130     -0.761136     -0.419712
      6.72612     17.67880     10.58147         0.868624      0.419442      0.011481
      8.09227     20.32092      7.01036        -0.135394      0.198610      0.180685
      3.06748     12.02376      7.41768         0.085607     -0.548175      0.360217
      4.08618      9.08313     10.92649        -0.460410      0.420104     -0.476165
      4.24989     19.25802      8.52146         0.054949      0.332360     -0.344639
      4.69002     20.59756     12.90404         0.487037      8.436823     12.386747
      2.98046     13.41856      3.64461        -0.309035     -0.093126     -0.553024
      0.91031     12.25295     20.89820         0.247646      0.632593      1.556356
      2.13549      0.10603      5.00241        -0.165421      0.384073     -0.613293
      0.48304      2.56682      1.37601        -0.268684     -0.064477      0.375228
      2.44693     14.55484     19.25313         1.868048     -0.525215      0.914880
      4.99651     11.62989      0.59089        -0.349596      0.817843     -0.125727
      2.80950      1.00665      0.37580         1.008945      0.326939      0.245192
      5.66911      1.86137      3.93415         0.443089      0.504920      0.293050
      0.04291     16.73279     15.17292        -2.345124     -0.348201     -0.165131
     17.57100     15.05071     12.83189         0.322318      0.549615      0.852267
      0.50500      2.73071     16.32665        -2.270292      0.917705      0.350124
     18.37323      5.46592     14.70170        -0.211752      0.928754     -0.047723
     20.67062     18.97618     11.90256         1.423069     -0.838248     -0.149809
      2.16919     15.68712     13.97327        -0.490405      1.004064     -0.135510
      0.17608      4.68202     13.59385         2.365838      0.346783      0.819418
      3.82679      5.92054     16.26100         2.956798      2.562227      1.294435
     18.58820     21.08677      7.58528        -1.767854     -0.726538     -0.618739
     15.84728     19.50025      4.14726         0.399283      0.106053      0.207514
     18.66036      7.15674      8.91481        -0.620147      0.214336      0.970205
     15.83095      9.91755      6.48666         0.141556      0.259969      0.032501
     18.29655      2.33976      3.42979        -0.059788     -0.299824     -0.318633
     20.27185     20.09248      5.77539         0.316193      1.444058     -1.282128
     19.42663      9.07913      5.31023        -0.359685      0.258148     -0.196138
      0.42572      9.99726      9.23860         5.763477      5.775609      7.942983
     13.51040     17.67445      5.36233         0.556851     -0.755628     -0.008815
     15.47595     16.97483      5.55452         1.448532     -0.980229      0.604362
     14.41455     16.56761      3.75964         0.193991     -0.915385      0.432991
     11.94105     15.06520     11.14457         0.270089      1.054907      1.276148
     11.49069     14.57582      9.19620        -0.253561     -0.327872     -0.755475
     13.47083     13.97597     10.15666         0.212061     -0.437812      0.052255
     11.97285     18.29188      7.18094         0.890589      0.148186     -0.209287
     10.08350     18.41009      6.25530        -0.918996      0.425418     -0.435155
     10.50682     16.97384      7.79918        -0.620087     -1.211288      0.059660
     12.87861     18.08425      0.18917         0.172927      1.321922     -0.196259
     13.77693     16.75111      1.58874         0.236981      0.413304      0.066050
     11.71852     16.51027      0.99404         0.181367      1.088457      0.577577
      9.94543      0.41306     18.73541         0.449822     -0.739097      0.005618
     11.99213      0.01774     18.72148         1.759780     -0.748991      0.966691
     10.89602     20.73951     17.04293         0.772287     -0.854187     -0.072082
      9.34682     19.05536      3.50363        -0.912420      1.119979     -0.040588
      8.39845     18.46167      1.64764        -1.808797      0.308091     -0.228629
     10.46035     18.14295      1.97965        -1.261046     -0.038315      0.259307
      8.26357      0.82829     20.52077         0.791483      0.136765     -0.359745
      6.67186      1.25395     19.17974        -1.124520      0.241287     -0.855627
      6.52491     20.97910     20.66529        -0.778870     -1.231488     -0.020694
      9.09298      0.87308     13.40098        -0.698156      0.931959     -1.337765
     10.34001     21.03566     14.57486         0.744184     -0.387867      0.930900
      8.15665     20.36928     14.67658         3.347486      0.462614     -1.242908
      7.43703      4.09680      9.89441         0.046089      0.183465      0.396998
      9.36634      3.56904     10.45279         1.812722     -0.905812      0.726034
      8.60889      3.03238      8.53883         0.490651     -1.177086     -0.178048
      6.32317      1.50328     16.02017        -1.183658      1.741222      0.819921
      5.06929      1.45498     14.15669        -0.425660      0.424495     -0.683020
      6.95342      0.52278     14.34721        -2.229777      2.843297      0.229735
      5.85262      4.95018     11.86109         0.874650      0.371102     -0.101503
      3.83480      5.11074     11.64676        -1.751594     -0.248000     -0.096778
      4.60528      3.64319     12.93695        -0.441350     -1.091214     -0.258431
      6.73268      4.35860      5.16290         1.084951      0.700335     -0.298460
      7.08596      2.99197      6.72090         0.358974     -0.447326      0.318056
      5.09694      3.28907      5.92911        -0.550407      0.707449      0.618304
      0.14302      7.48370      4.55264        -1.232305     -0.958409      0.362095
      1.88710      7.59542      3.44420        -0.580762     -0.485714      0.382233
      0.22970      6.57109      2.60125        -0.398455     -0.997720      0.448240
      3.60631      5.34165      9.55189         0.031783      1.012881      1.036401
      2.10415      4.42531      8.58779        -1.308203     -0.454863     -0.411941
      4.00566      4.47948      7.57092        -0.880887      0.881400      0.610925
      5.59488      7.38865      3.56578         0.993088     -0.829120     -0.772636
      3.85385      7.43261      4.78103         0.231673     -0.191682     -0.961616
      5.11007      5.86327      5.09828        -0.335020     -0.494252     -1.404084
      1.21653      8.11077     20.08298        -0.148844      0.859369      0.070452
      2.89607      6.92389     -0.33681        -1.548380     -0.245533      2.557867
      0.69271      6.79799      0.20225         0.177787     -0.601408      1.825796
     19.82668      9.68548     18.49769        -0.595475     -0.760974      1.543397
     20.54068     10.48887     16.70103         0.195786      0.459914     -0.107441
     18.89819      9.22507     16.62102        -1.195767     -1.084456      0.307580
      4.64188      7.72373     19.93931         1.093544      1.198022      0.370902
      3.00174      6.62263     19.09461         1.564272      0.981688     -4.287983
      4.45574      7.71170     17.81580        -0.026634      0.409869     -0.716398
      3.02866     11.55335     15.19732         0.675376      0.113202     -1.993743
      1.75274     11.62926     16.82416        -0.195749     -0.109288      0.185116
      3.42671     10.29304     16.82333         0.571503     -0.720458     -0.445108
     17.62238     10.99302     13.06035        -0.019740      0.975382     -0.160415
     19.13856      9.59932     12.49346         0.234698      1.030291      0.081447
     18.36160      9.59925     14.49442        -0.151182      0.497240     -0.020656
     16.78191     14.44532      9.83421        -1.105820     -0.470933      1.001705
     18.25593     14.85516      8.35430         0.063899     -0.074447      0.412831
     16.49217     13.89481      7.77606        -0.665009     -1.098136     -0.247175
      1.29604     12.13042     12.85345         0.337101      1.202631     -0.693799
     20.66985     11.29258     12.27231         1.556254      0.077188     -0.798804
      0.94852     11.75574     10.79636         0.289731      0.316883     -0.559298
      0.60623     15.96422      7.62520         1.114869     -0.232722     -1.517137
     20.42815     15.77044      9.11311        -0.519711     -0.039828      0.272964
      0.85762     14.53141      9.19813         0.538611     -1.112521     -0.258528
     17.10423     15.64841      3.09751        -0.597530      1.390429     -0.506584
     18.84141     14.55829      3.48536         0.663946     -0.360615     -0.038300
     16.91143     14.22106      4.62283        -0.089434     -0.361231      0.418479
 -----------------------------------------------------------------------------------
    total drift:                               -0.002875     -0.005695     -0.003206


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4501.3644523463 eV

  energy  without entropy=    -4501.5284372989  energy(sigma->0) =    -4501.41911400
 
 d Force = 0.1802462E+02[-0.628E+00, 0.367E+02]  d Energy = 0.1549584E+02 0.253E+01
 d Force =-0.1242551E+04[-0.133E+04,-0.115E+04]  d Ewald  =-0.1245188E+04 0.264E+01


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   14(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3176
 total energy-change (2. order) : 0.4666355E+02  (-0.1238261E+04)
 number of electron    2498.0000140 magnetization 
 augmentation part      164.6739935 magnetization 

  free energy =  -0.445470089282E+04  energy without entropy=  -0.445475281320E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   14(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3672
 total energy-change (2. order) :-0.4780560E+02  (-0.5515287E+02)
 number of electron    2498.0000142 magnetization 
 augmentation part      166.0598227 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7363
  0.7363

  free energy =  -0.450250649015E+04  energy without entropy=  -0.450265502921E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   14(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3728
 total energy-change (2. order) : 0.3086239E+01  (-0.1286986E+01)
 number of electron    2498.0000141 magnetization 
 augmentation part      165.3016345 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1335
  1.1335  1.1335

  free energy =  -0.449942025136E+04  energy without entropy=  -0.449943623665E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   14(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3832
 total energy-change (2. order) : 0.8542983E+00  (-0.8550579E+00)
 number of electron    2498.0000139 magnetization 
 augmentation part      164.6963357 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1288
  1.7417  1.0436  0.6010

  free energy =  -0.449856595306E+04  energy without entropy=  -0.449869795349E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   14(   5)  ---------------------------------------



 eigenvalue-minimisations  :  4016
 total energy-change (2. order) : 0.1942728E+00  (-0.2231537E+00)
 number of electron    2498.0000139 magnetization 
 augmentation part      164.5265012 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0639
  1.9685  0.8300  0.8300  0.6271

  free energy =  -0.449837168030E+04  energy without entropy=  -0.449838620835E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   14(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) : 0.8403403E-01  (-0.6066613E-01)
 number of electron    2498.0000139 magnetization 
 augmentation part      164.5640896 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1158
  2.1177  0.9705  0.9705  0.9231  0.5973

  free energy =  -0.449828764627E+04  energy without entropy=  -0.449838401986E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   14(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3784
 total energy-change (2. order) :-0.2925129E-01  (-0.3152524E-01)
 number of electron    2498.0000139 magnetization 
 augmentation part      164.6498435 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0770
  2.2926  1.0316  1.0316  0.9763  0.5648  0.5648

  free energy =  -0.449831689756E+04  energy without entropy=  -0.449844482557E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   14(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3920
 total energy-change (2. order) : 0.4194253E-01  (-0.1505103E-01)
 number of electron    2498.0000139 magnetization 
 augmentation part      164.6114243 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0886
  2.3762  1.3148  0.9703  0.9703  1.0106  0.4892  0.4892

  free energy =  -0.449827495503E+04  energy without entropy=  -0.449839113261E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   14(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) : 0.4273673E-02  (-0.2830122E-02)
 number of electron    2498.0000139 magnetization 
 augmentation part      164.6463805 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0891
  2.4129  1.5573  1.0324  1.0324  0.9768  0.7318  0.5173  0.4518

  free energy =  -0.449827068136E+04  energy without entropy=  -0.449840409106E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   14(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3696
 total energy-change (2. order) : 0.3242418E-02  (-0.1659508E-02)
 number of electron    2498.0000139 magnetization 
 augmentation part      164.6359646 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.0871
  2.4420  1.6480  0.9965  0.9965  0.9593  0.9593  0.8288  0.4769  0.4769

  free energy =  -0.449826743894E+04  energy without entropy=  -0.449840161095E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   14(  11)  ---------------------------------------



 eigenvalue-minimisations  :  3608
 total energy-change (2. order) : 0.4881035E-03  (-0.4205640E-03)
 number of electron    2498.0000139 magnetization 
 augmentation part      164.6329015 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1134
  2.5041  1.8004  1.1175  1.1175  1.0365  0.9670  0.9670  0.6280  0.5557  0.4401

  free energy =  -0.449826695083E+04  energy without entropy=  -0.449840439561E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   14(  12)  ---------------------------------------



 eigenvalue-minimisations  :  3744
 total energy-change (2. order) : 0.2732390E-03  (-0.1458549E-03)
 number of electron    2498.0000139 magnetization 
 augmentation part      164.6316705 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1489
  2.5311  2.1446  1.2219  1.2219  0.9298  0.9298  1.0590  0.8200  0.8200  0.5064
  0.4538

  free energy =  -0.449826667760E+04  energy without entropy=  -0.449840668750E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   14(  13)  ---------------------------------------



 eigenvalue-minimisations  :  3880
 total energy-change (2. order) : 0.4062674E-04  (-0.7885956E-04)
 number of electron    2498.0000139 magnetization 
 augmentation part      164.6326249 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1980
  2.7375  2.4153  1.5673  1.1039  1.1039  1.0428  0.9674  0.9674  0.7546  0.7546
  0.5087  0.4524

  free energy =  -0.449826663697E+04  energy without entropy=  -0.449840897476E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   14(  14)  ---------------------------------------



 eigenvalue-minimisations  :  4000
 total energy-change (2. order) :-0.1600307E-03  (-0.5544579E-04)
 number of electron    2498.0000139 magnetization 
 augmentation part      164.6318844 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2035
  2.6337  2.6337  1.4943  1.4943  1.1084  1.1084  0.8749  0.8749  0.8485  0.8485
  0.7601  0.5146  0.4506

  free energy =  -0.449826679700E+04  energy without entropy=  -0.449841078333E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   14(  15)  ---------------------------------------



 eigenvalue-minimisations  :  3648
 total energy-change (2. order) :-0.1260202E-03  (-0.5320439E-04)
 number of electron    2498.0000139 magnetization 
 augmentation part      164.6325727 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1930
  2.9550  2.6261  1.6036  1.6036  1.0303  1.0303  0.9517  0.9517  0.8298  0.8129
  0.8129  0.4497  0.5219  0.5219

  free energy =  -0.449826692302E+04  energy without entropy=  -0.449841214870E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   14(  16)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) :-0.9416786E-04  (-0.7738932E-05)
 number of electron    2498.0000139 magnetization 
 augmentation part      164.6326014 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2854
  3.8783  2.5088  1.9651  1.6338  1.0931  1.0931  0.8476  0.8476  1.0287  1.0287
  0.8458  0.8458  0.6992  0.5150  0.4506

  free energy =  -0.449826701719E+04  energy without entropy=  -0.449841307508E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   14(  17)  ---------------------------------------



 eigenvalue-minimisations  :  3872
 total energy-change (2. order) :-0.1262064E-03  (-0.8318437E-05)
 number of electron    2498.0000139 magnetization 
 augmentation part      164.6324669 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3305
  4.4495  2.4739  2.3438  1.5177  1.5177  1.0257  1.0257  0.9450  0.9450  0.8378
  0.8378  0.8660  0.8660  0.4505  0.5156  0.6698

  free energy =  -0.449826714339E+04  energy without entropy=  -0.449841437817E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   14(  18)  ---------------------------------------



 eigenvalue-minimisations  :  3800
 total energy-change (2. order) :-0.8147149E-04  (-0.1237287E-04)
 number of electron    2498.0000139 magnetization 
 augmentation part      164.6320415 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3652
  5.2362  2.6168  2.3306  1.5207  1.5207  1.0754  1.0754  1.0094  1.0094  0.8796
  0.8796  0.8950  0.7700  0.7700  0.4505  0.5158  0.6543

  free energy =  -0.449826722487E+04  energy without entropy=  -0.449841525544E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   14(  19)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) :-0.3263087E-04  (-0.1164995E-04)
 number of electron    2498.0000139 magnetization 
 augmentation part      164.6322321 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3306
  5.2875  2.7147  2.4221  1.5518  1.5518  1.0156  1.0156  0.9858  0.9858  0.7984
  0.7984  0.8988  0.4505  0.5154  0.7193  0.7193  0.7601  0.7601

  free energy =  -0.449826725750E+04  energy without entropy=  -0.449841569739E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   14(  20)  ---------------------------------------



 eigenvalue-minimisations  :  2792
 total energy-change (2. order) :-0.9869720E-05  (-0.2879745E-05)
 number of electron    2498.0000139 magnetization 
 augmentation part      164.6322321 magnetization 

  free energy =  -0.449826726737E+04  energy without entropy=  -0.449841581981E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.5285       2 -55.7160       3 -55.6634       4 -55.4790       5 -55.5073
       6 -56.0010       7 -57.9430       8 -58.2710       9 -55.9691      10 -55.6177
      11 -55.5570      12 -55.4815      13 -55.4160      14 -55.4895      15 -58.0399
      16 -58.2140      17 -56.3241      18 -55.0188      19 -54.7196      20 -55.2278
      21 -55.7031      22 -55.5882      23 -55.5930      24 -55.6449      25 -55.0626
      26 -54.6293      27 -54.8820      28 -54.9766      29 -60.4683      30 -60.5584
      31 -55.4082      32 -55.5407      33 -55.4744      34 -55.0873      35 -55.3438
      36 -55.8296      37 -57.7055      38 -58.1589      39 -55.9100      40 -55.5108
      41 -55.7164      42 -55.5912      43 -55.6051      44 -55.6591      45 -58.0374
      46 -58.1905      47 -56.5713      48 -55.2579      49 -54.9585      50 -55.3946
      51 -56.0017      52 -55.8329      53 -55.6175      54 -55.9049      55 -55.1469
      56 -54.6877      57 -54.9440      58 -56.3570      59 -60.5862      60 -60.6956
      61 -55.5776      62 -55.6497      63 -55.5932      64 -55.4700      65 -55.5170
      66 -55.9406      67 -57.8120      68 -58.1707      69 -55.9532      70 -55.5996
      71 -55.6391      72 -55.4593      73 -55.3671      74 -55.5451      75 -58.0316
      76 -58.2572      77 -56.4886      78 -55.1208      79 -54.7577      80 -55.3750
      81 -55.8691      82 -55.7934      83 -55.6575      84 -55.7413      85 -55.0498
      86 -54.8341      87 -55.0380      88 -56.4436      89 -60.6944      90 -60.6787
      91 -55.1895      92 -55.2938      93 -55.2463      94 -55.0035      95 -55.0937
      96 -55.6167      97 -57.7025      98 -57.9002      99 -55.7581     100 -55.4470
     101 -55.5393     102 -55.2581     103 -55.2295     104 -55.4209     105 -57.9506
     106 -58.1994     107 -56.5009     108 -55.1012     109 -54.9551     110 -55.3233
     111 -55.9220     112 -55.8082     113 -55.8085     114 -55.9719     115 -55.3523
     116 -54.9159     117 -55.1065     118 -56.4766     119 -60.6654     120 -60.5181
     121 -55.6525     122 -55.7095     123 -55.6321     124 -55.5684     125 -55.6069
     126 -56.0010     127 -57.8672     128 -58.2249     129 -55.9131     130 -55.5575
     131 -55.6114     132 -55.4414     133 -55.3278     134 -55.5041     135 -57.8711
     136 -58.1980     137 -56.6031     138 -55.2109     139 -54.8831     140 -55.4485
     141 -55.9783     142 -55.9798     143 -55.6029     144 -55.5034     145 -55.0084
     146 -54.8015     147 -54.9784     148 -56.2347     149 -61.0019     150 -60.7719
     151 -55.3973     152 -55.4644     153 -55.4455     154 -55.2509     155 -55.3843
     156 -55.8342     157 -57.8173     158 -57.8631     159 -56.1889     160 -55.8242
     161 -56.1742     162 -55.7495     163 -55.8324     164 -56.1185     165 -58.2150
     166 -58.7077     167 -57.0977     168 -55.6514     169 -55.1591     170 -55.7750
     171 -56.2382     172 -56.2324     173 -56.0630     174 -55.9625     175 -55.2624
     176 -54.8568     177 -55.1238     178 -56.4795     179 -60.6313     180 -60.7616
     181 -55.5874     182 -55.7276     183 -55.6083     184 -55.3665     185 -55.4317
     186 -55.9904     187 -57.8307     188 -58.2254     189 -55.9901     190 -55.5708
     191 -55.6526     192 -55.5180     193 -55.4164     194 -55.5602     195 -57.9016
     196 -58.2072     197 -56.4105     198 -54.9444     199 -54.6725     200 -55.1939
     201 -55.8419     202 -55.7381     203 -55.7104     204 -55.7400     205 -55.2166
     206 -54.8901     207 -55.0506     208 -56.4127     209 -60.9050     210 -60.5700
     211 -55.5558     212 -55.6611     213 -55.4980     214 -55.4419     215 -55.4147
     216 -55.9334     217 -58.0706     218 -58.2943     219 -55.8969     220 -55.4922
     221 -55.5544     222 -55.3567     223 -55.2445     224 -55.4562     225 -57.7291
     226 -58.1740     227 -56.4337     228 -55.0378     229 -54.8900     230 -55.1421
     231 -55.7216     232 -55.8697     233 -55.7800     234 -55.5570     235 -55.1381
     236 -54.7240     237 -54.9779     238 -56.3866     239 -60.3342     240 -60.5072
     241 -55.6427     242 -55.6762     243 -55.5551     244 -55.5200     245 -55.5698
     246 -55.9291     247 -58.1138     248 -58.0883     249 -56.0266     250 -55.6910
     251 -55.7438     252 -55.5951     253 -55.5421     254 -55.6729     255 -57.8713
     256 -58.2844     257 -56.6159     258 -55.2647     259 -54.9684     260 -55.4118
     261 -55.8220     262 -56.0033     263 -55.7197     264 -55.7112     265 -55.2305
     266 -54.6784     267 -55.1705     268 -56.2676     269 -60.4108     270 -60.6227
     271 -55.5773     272 -55.5463     273 -55.4047     274 -55.4726     275 -55.5088
     276 -55.8428     277 -58.3809     278 -58.0219     279 -55.6405     280 -55.3393
     281 -55.4997     282 -55.1746     283 -55.1543     284 -55.4850     285 -57.7226
     286 -58.3045     287 -56.7274     288 -55.4080     289 -54.9631     290 -55.6443
     291 -55.8597     292 -55.8224     293 -55.6543     294 -55.8917     295 -55.1105
     296 -54.7555     297 -54.9127     298 -56.3830     299 -60.6557     300 -60.6630
     301 -55.4984     302 -55.6062     303 -55.5474     304 -55.3409     305 -55.4075
     306 -55.8711     307 -57.9285     308 -58.2055     309 -55.9503     310 -55.5873
     311 -55.6995     312 -55.4969     313 -55.4489     314 -55.6158     315 -57.9472
     316 -58.0637     317 -56.4578     318 -54.9908     319 -54.7231     320 -55.2417
     321 -55.7721     322 -55.7629     323 -55.6866     324 -55.7473     325 -55.0787
     326 -54.9798     327 -55.0826     328 -56.4201     329 -60.5434     330 -60.4471
     331 -55.5261     332 -55.6115     333 -55.4716     334 -55.4117     335 -55.4444
     336 -55.8247     337 -57.9493     338 -57.7986     339 -55.7643     340 -55.4314
     341 -55.6195     342 -55.3759     343 -55.4129     344 -55.6160     345 -57.5931
     346 -58.0762     347 -56.4869     348 -55.0216     349 -54.7265     350 -55.3253
     351 -55.7915     352 -55.6950     353 -55.5675     354 -55.5989     355 -55.0456
     356 -54.5400     357 -54.8598     358 -56.2450     359 -60.3660     360 -60.5517
     361 -38.8561     362 -38.7689     363 -38.6034     364 -38.9059     365 -38.5515
     366 -38.6583     367 -38.6766     368 -38.4866     369 -38.5276     370 -38.3893
     371 -38.5120     372 -38.2653     373 -38.7914     374 -38.4378     375 -38.4637
     376 -38.9888     377 -38.6926     378 -38.7970     379 -38.5915     380 -38.3673
     381 -38.5111     382 -38.2593     383 -38.4159     384 -38.1877     385 -38.8233
     386 -38.7303     387 -38.5019     388 -38.6906     389 -38.4818     390 -38.5429
     391 -38.7604     392 -38.4274     393 -38.7212     394 -38.2858     395 -38.4735
     396 -38.4746     397 -38.5460     398 -38.1646     399 -38.2110     400 -38.7402
     401 -38.2772     402 -38.6976     403 -38.2282     404 -38.2486     405 -38.3941
     406 -38.4507     407 -38.2203     408 -38.1707     409 -38.7919     410 -38.7765
     411 -38.6776     412 -38.7454     413 -38.5413     414 -38.5604     415 -38.6378
     416 -38.7318     417 -38.5655     418 -38.3950     419 -38.6457     420 -38.5790
     421 -38.6134     422 -38.3592     423 -38.3660     424 -39.2459     425 -38.8214
     426 -38.8838     427 -38.6468     428 -38.5198     429 -38.6865     430 -38.2803
     431 -38.8728     432 -38.3470     433 -38.5907     434 -38.7045     435 -38.5367
     436 -38.7016     437 -38.5927     438 -38.6412     439 -38.7814     440 -38.2687
     441 -38.4869     442 -38.5112     443 -38.6917     444 -38.2903     445 -38.5872
     446 -38.7363     447 -38.4240     448 -38.5442     449 -38.3162     450 -38.3048
     451 -38.0773     452 -37.8578     453 -38.3004     454 -38.1687     455 -38.5902
     456 -38.0179     457 -38.9297     458 -38.7267     459 -38.6256     460 -39.0174
     461 -38.6771     462 -38.8204     463 -38.8621     464 -38.7089     465 -38.4265
     466 -38.2816     467 -38.6441     468 -38.6967     469 -38.8196     470 -38.9248
     471 -38.3519     472 -39.0898     473 -38.2681     474 -38.2049     475 -38.7633
     476 -38.3549     477 -38.6561     478 -38.2686     479 -38.5179     480 -38.1920
     481 -38.8449     482 -38.6888     483 -38.4964     484 -38.8361     485 -38.4900
     486 -38.7204     487 -38.3503     488 -38.3132     489 -38.3963     490 -38.4699
     491 -38.4981     492 -38.5575     493 -38.8227     494 -38.6128     495 -38.4064
     496 -39.0577     497 -38.4910     498 -38.3285     499 -38.4351     500 -38.0824
     501 -38.3488     502 -38.2731     503 -38.3677     504 -38.1010     505 -38.3577
     506 -40.8926     507 -71.3751     508 -71.3050     509 -71.5999     510 -71.5677
     511 -71.4496     512 -71.5222     513 -71.1720     514 -71.4744     515 -71.6321
     516 -71.6385     517 -71.3063     518 -72.8060     519 -71.3220     520 -71.5949
     521 -71.3374     522 -71.5846     523 -71.4271     524 -71.6180     525 -71.3233
     526 -71.7372     527 -71.3947     528 -71.6041     529 -70.8772     530 -71.8264
     531 -77.3677     532 -77.0078     533 -77.4766     534 -77.1670     535 -77.2168
     536 -76.2139     537 -77.0539     538 -76.9547     539 -77.2252     540 -76.6778
     541 -77.2867     542 -76.9335     543 -77.0445     544 -76.7086     545 -77.2265
     546 -76.9525     547 -77.2200     548 -76.5737     549 -77.2710     550 -76.6619
     551 -76.7639     552 -76.8153     553 -77.4403     554 -75.4401     555 -77.2709
     556 -76.8405     557 -77.2102     558 -76.7860     559 -77.5336     560 -77.1265
     561 -77.1965     562 -76.3884     563 -76.8790     564 -77.1705     565 -77.5676
     566 -76.4882     567 -77.0216     568 -77.6511     569 -77.5343     570 -75.8035
     571 -77.3341     572 -76.8747     573 -76.8783     574 -76.7792     575 -76.5930
     576 -77.1080     577 -76.8370     578 -75.3787     579 -82.5250     580 -82.3924
     581 -82.7457     582 -82.1841     583 -82.3507     584 -82.4828     585 -82.5494
     586 -82.5202     587 -82.3750     588 -82.1082     589 -82.3512     590 -82.7483
     591 -82.7530     592 -82.3306     593 -82.5527     594 -82.3169     595 -82.2752
     596 -83.5620     597 -82.3979     598 -82.3250     599 -82.2464     600 -82.4292
     601 -82.2151     602 -81.9464     603 -82.8342     604 -82.5992     605 -82.8827
     606 -81.5166     607 -81.8310     608 -85.9086     609 -82.9699     610 -82.2729
     611 -82.3096     612 -82.2281     613 -82.2362     614 -82.6353     615 -82.4510
     616 -82.6924     617 -82.4508     618 -83.9929     619 -82.4563     620 -82.7355
     621 -82.2210     622 -82.4006     623 -82.9400     624 -82.3472     625 -83.0719
     626 -81.8636     627 -82.0430     628 -82.4500     629 -83.2386     630 -81.7217
     631 -83.1740     632 -81.8229     633 -82.1416     634 -83.2259     635 -82.2733
     636 -82.1140     637 -82.6337     638 -82.8995     639 -82.4344     640 -82.2874
     641 -82.2702     642 -82.2089     643 -83.3051     644 -82.2952     645 -82.3863
     646 -82.4415     647 -82.3612     648 -82.0896     649 -82.2864     650 -82.3261
 
 
 
 E-fermi :  -1.2736     XC(G=0):  -6.3290     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -33.7858      2.00000
      2     -30.3081      2.00000
      3     -29.8305      2.00000
      4     -29.6352      2.00000
      5     -29.3958      2.00000
      6     -29.3182      2.00000
      7     -29.2308      2.00000
      8     -29.1114      2.00000
      9     -29.0955      2.00000
     10     -29.0914      2.00000
     11     -29.0460      2.00000
     12     -29.0437      2.00000
     13     -29.0254      2.00000
     14     -28.9459      2.00000
     15     -28.7808      2.00000
     16     -28.7733      2.00000
     17     -28.7583      2.00000
     18     -28.6782      2.00000
     19     -28.5818      2.00000
     20     -28.5553      2.00000
     21     -28.5308      2.00000
     22     -28.5232      2.00000
     23     -28.4904      2.00000
     24     -28.1940      2.00000
     25     -27.6628      2.00000
     26     -27.1394      2.00000
     27     -27.0911      2.00000
     28     -27.0141      2.00000
     29     -26.9908      2.00000
     30     -26.9407      2.00000
     31     -26.9144      2.00000
     32     -26.8879      2.00000
     33     -26.8817      2.00000
     34     -26.8471      2.00000
     35     -26.7593      2.00000
     36     -26.7224      2.00000
     37     -26.6836      2.00000
     38     -26.6476      2.00000
     39     -26.5775      2.00000
     40     -26.5730      2.00000
     41     -26.5554      2.00000
     42     -26.5375      2.00000
     43     -26.5195      2.00000
     44     -26.4899      2.00000
     45     -26.4614      2.00000
     46     -26.4446      2.00000
     47     -26.4221      2.00000
     48     -26.4095      2.00000
     49     -26.3942      2.00000
     50     -26.3526      2.00000
     51     -26.3398      2.00000
     52     -26.3248      2.00000
     53     -26.3200      2.00000
     54     -26.2893      2.00000
     55     -26.2711      2.00000
     56     -26.2428      2.00000
     57     -26.2420      2.00000
     58     -26.2217      2.00000
     59     -26.2191      2.00000
     60     -26.1988      2.00000
     61     -26.1844      2.00000
     62     -26.1834      2.00000
     63     -26.1763      2.00000
     64     -26.1583      2.00000
     65     -26.0830      2.00000
     66     -26.0699      2.00000
     67     -26.0677      2.00000
     68     -26.0393      2.00000
     69     -25.8106      2.00000
     70     -25.7449      2.00000
     71     -25.6991      2.00000
     72     -25.6923      2.00000
     73     -24.9469      2.00000
     74     -24.7869      2.00000
     75     -24.7311      2.00000
     76     -24.6682      2.00000
     77     -24.5966      2.00000
     78     -24.5461      2.00000
     79     -24.5379      2.00000
     80     -24.3956      2.00000
     81     -24.3754      2.00000
     82     -24.3232      2.00000
     83     -24.3224      2.00000
     84     -24.3102      2.00000
     85     -24.3058      2.00000
     86     -24.2860      2.00000
     87     -24.2481      2.00000
     88     -24.2354      2.00000
     89     -24.2269      2.00000
     90     -24.2224      2.00000
     91     -24.2066      2.00000
     92     -24.1756      2.00000
     93     -24.1081      2.00000
     94     -24.0708      2.00000
     95     -24.0480      2.00000
     96     -23.9492      2.00000
     97     -23.9434      2.00000
     98     -23.8957      2.00000
     99     -23.7949      2.00000
    100     -23.7783      2.00000
    101     -23.7391      2.00000
    102     -23.6272      2.00000
    103     -23.6010      2.00000
    104     -23.5607      2.00000
    105     -23.5524      2.00000
    106     -23.5181      2.00000
    107     -23.4775      2.00000
    108     -23.4687      2.00000
    109     -23.4572      2.00000
    110     -23.3976      2.00000
    111     -23.3060      2.00000
    112     -23.2955      2.00000
    113     -23.2002      2.00000
    114     -23.1533      2.00000
    115     -23.0683      2.00000
    116     -23.0611      2.00000
    117     -22.5852      2.00000
    118     -22.4397      2.00000
    119     -21.8367      2.00000
    120     -21.5206      2.00000
    121     -20.8122      2.00000
    122     -20.7252      2.00000
    123     -20.6938      2.00000
    124     -20.6767      2.00000
    125     -20.6762      2.00000
    126     -20.6745      2.00000
    127     -20.6589      2.00000
    128     -20.6459      2.00000
    129     -20.5903      2.00000
    130     -20.5572      2.00000
    131     -20.5565      2.00000
    132     -20.5331      2.00000
    133     -20.4842      2.00000
    134     -20.4742      2.00000
    135     -20.4515      2.00000
    136     -20.4242      2.00000
    137     -20.4003      2.00000
    138     -20.3680      2.00000
    139     -20.2243      2.00000
    140     -20.1546      2.00000
    141     -20.1479      2.00000
    142     -19.9366      2.00000
    143     -19.2290      2.00000
    144     -19.0009      2.00000
    145     -18.5394      2.00000
    146     -18.5350      2.00000
    147     -18.5276      2.00000
    148     -18.4867      2.00000
    149     -18.4615      2.00000
    150     -18.4363      2.00000
    151     -18.3975      2.00000
    152     -18.3967      2.00000
    153     -18.3712      2.00000
    154     -18.3548      2.00000
    155     -18.3313      2.00000
    156     -18.3253      2.00000
    157     -18.3166      2.00000
    158     -18.2993      2.00000
    159     -18.2812      2.00000
    160     -18.2245      2.00000
    161     -18.2044      2.00000
    162     -18.1976      2.00000
    163     -18.1829      2.00000
    164     -18.1603      2.00000
    165     -18.1491      2.00000
    166     -18.1363      2.00000
    167     -18.1225      2.00000
    168     -18.1087      2.00000
    169     -18.0909      2.00000
    170     -18.0583      2.00000
    171     -18.0447      2.00000
    172     -18.0324      2.00000
    173     -17.9800      2.00000
    174     -17.9550      2.00000
    175     -17.9390      2.00000
    176     -17.9043      2.00000
    177     -17.8838      2.00000
    178     -17.8711      2.00000
    179     -17.8514      2.00000
    180     -17.8058      2.00000
    181     -17.7942      2.00000
    182     -17.7277      2.00000
    183     -17.7194      2.00000
    184     -17.6856      2.00000
    185     -17.6731      2.00000
    186     -17.6655      2.00000
    187     -17.6238      2.00000
    188     -17.6106      2.00000
    189     -17.6046      2.00000
    190     -17.5843      2.00000
    191     -17.5762      2.00000
    192     -17.5624      2.00000
    193     -17.0550      2.00000
    194     -16.6242      2.00000
    195     -16.6160      2.00000
    196     -16.6141      2.00000
    197     -16.5902      2.00000
    198     -16.5642      2.00000
    199     -16.5030      2.00000
    200     -16.4916      2.00000
    201     -16.4313      2.00000
    202     -16.4066      2.00000
    203     -16.3702      2.00000
    204     -16.3405      2.00000
    205     -16.2587      2.00000
    206     -16.2441      2.00000
    207     -16.1996      2.00000
    208     -16.1845      2.00000
    209     -16.1393      2.00000
    210     -16.1043      2.00000
    211     -16.0845      2.00000
    212     -16.0270      2.00000
    213     -16.0085      2.00000
    214     -15.9741      2.00000
    215     -15.9005      2.00000
    216     -15.8684      2.00000
    217     -15.8188      2.00000
    218     -15.7940      2.00000
    219     -15.7560      2.00000
    220     -15.7341      2.00000
    221     -15.6843      2.00000
    222     -15.6830      2.00000
    223     -15.6652      2.00000
    224     -15.6478      2.00000
    225     -15.6297      2.00000
    226     -15.6243      2.00000
    227     -15.6090      2.00000
    228     -15.6024      2.00000
    229     -15.5578      2.00000
    230     -15.5412      2.00000
    231     -15.5180      2.00000
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   1366       3.6586     -0.00000
   1367       3.7151     -0.00000
   1368       3.7538     -0.00000
   1369       3.8026     -0.00000
   1370       3.8159     -0.00000
   1371       3.8306     -0.00000
   1372       3.8719     -0.00000
   1373       3.8950     -0.00000
   1374       3.9145     -0.00000
   1375       3.9472     -0.00000
   1376       3.9612     -0.00000
   1377       3.9746     -0.00000
   1378       3.9903     -0.00000
   1379       3.9978     -0.00000
   1380       4.0108     -0.00000
   1381       4.0199     -0.00000
   1382       4.0432     -0.00000
   1383       4.0707      0.00000
   1384       4.0936      0.00000
   1385       4.1142      0.00000
   1386       4.1366      0.00000
   1387       4.1653      0.00000
   1388       4.1793      0.00000
   1389       4.2001      0.00000
   1390       4.2104      0.00000
   1391       4.2307      0.00000
   1392       4.2370      0.00000
   1393       4.2458      0.00000
   1394       4.2664      0.00000
   1395       4.2915      0.00000
   1396       4.3020      0.00000
   1397       4.3296      0.00000
   1398       4.3307      0.00000
   1399       4.3506      0.00000
   1400       4.3617      0.00000
   1401       4.3762      0.00000
   1402       4.3880      0.00000
   1403       4.4065      0.00000
   1404       4.4128      0.00000
   1405       4.4459      0.00000
   1406       4.4472      0.00000
   1407       4.4722      0.00000
   1408       4.4775      0.00000
   1409       4.5125      0.00000
   1410       4.5267      0.00000
   1411       4.5385      0.00000
   1412       4.5492      0.00000
   1413       4.5598      0.00000
   1414       4.5684      0.00000
   1415       4.5795      0.00000
   1416       4.5936      0.00000
   1417       4.6153      0.00000
   1418       4.6206      0.00000
   1419       4.6370      0.00000
   1420       4.6403      0.00000
   1421       4.6428      0.00000
   1422       4.6531      0.00000
   1423       4.6627      0.00000
   1424       4.6826      0.00000
   1425       4.6988      0.00000
   1426       4.7141      0.00000
   1427       4.7406      0.00000
   1428       4.7542      0.00000
   1429       4.7574      0.00000
   1430       4.7711      0.00000
   1431       4.7832      0.00000
   1432       4.7924      0.00000
   1433       4.8013      0.00000
   1434       4.8090      0.00000
   1435       4.8206      0.00000
   1436       4.8376      0.00000
   1437       4.8543      0.00000
   1438       4.8650      0.00000
   1439       4.8680      0.00000
   1440       4.8789      0.00000
   1441       4.8890      0.00000
   1442       4.9093      0.00000
   1443       4.9216      0.00000
   1444       4.9332      0.00000
   1445       4.9387      0.00000
   1446       4.9467      0.00000
   1447       4.9515      0.00000
   1448       4.9601      0.00000
   1449       4.9747      0.00000
   1450       4.9831      0.00000
   1451       4.9941      0.00000
   1452       5.0009      0.00000
   1453       5.0165      0.00000
   1454       5.0195      0.00000
   1455       5.0330      0.00000
   1456       5.0347      0.00000
   1457       5.0451      0.00000
   1458       5.0566      0.00000
   1459       5.0626      0.00000
   1460       5.0849      0.00000
   1461       5.0913      0.00000
   1462       5.0923      0.00000
   1463       5.1020      0.00000
   1464       5.1126      0.00000
   1465       5.1201      0.00000
   1466       5.1251      0.00000
   1467       5.1429      0.00000
   1468       5.1497      0.00000
   1469       5.1725      0.00000
   1470       5.1777      0.00000
   1471       5.1914      0.00000
   1472       5.1945      0.00000
   1473       5.1962      0.00000
   1474       5.2154      0.00000
   1475       5.2345      0.00000
   1476       5.2565      0.00000
   1477       5.2642      0.00000
   1478       5.2690      0.00000
   1479       5.2788      0.00000
   1480       5.2906      0.00000
   1481       5.3048      0.00000
   1482       5.3112      0.00000
   1483       5.3333      0.00000
   1484       5.3455      0.00000
   1485       5.3527      0.00000
   1486       5.3695      0.00000
   1487       5.3777      0.00000
   1488       5.3970      0.00000
   1489       5.4134      0.00000
   1490       5.4304      0.00000
   1491       5.4407      0.00000
   1492       5.4543      0.00000
   1493       5.4635      0.00000
   1494       5.4738      0.00000
   1495       5.4804      0.00000
   1496       5.4920      0.00000
   1497       5.4964      0.00000
   1498       5.5199      0.00000
   1499       5.5371      0.00000
   1500       5.5414      0.00000
   1501       5.5570      0.00000
   1502       5.5638      0.00000
   1503       5.5781      0.00000
   1504       5.5865      0.00000
   1505       5.5977      0.00000
   1506       5.6082      0.00000
   1507       5.6268      0.00000
   1508       5.6326      0.00000
   1509       5.6424      0.00000
   1510       5.6526      0.00000
   1511       5.6691      0.00000
   1512       5.6770      0.00000
   1513       5.6870      0.00000
   1514       5.7019      0.00000
   1515       5.7232      0.00000
   1516       5.7260      0.00000
   1517       5.7329      0.00000
   1518       5.7394      0.00000
   1519       5.7646      0.00000
   1520       5.7674      0.00000
   1521       5.7872      0.00000
   1522       5.7969      0.00000
   1523       5.8060      0.00000
   1524       5.8093      0.00000
   1525       5.8243      0.00000
   1526       5.8427      0.00000
   1527       5.8594      0.00000
   1528       5.8625      0.00000
   1529       5.8711      0.00000
   1530       5.8753      0.00000
   1531       5.8930      0.00000
   1532       5.8991      0.00000
   1533       5.9090      0.00000
   1534       5.9253      0.00000
   1535       5.9319      0.00000
   1536       5.9361      0.00000
   1537       5.9417      0.00000
   1538       5.9429      0.00000
   1539       5.9547      0.00000
   1540       5.9845      0.00000
   1541       5.9878      0.00000
   1542       5.9903      0.00000
   1543       6.0027      0.00000
   1544       6.0137      0.00000
   1545       6.0222      0.00000
   1546       6.0281      0.00000
   1547       6.0557      0.00000
   1548       6.0678      0.00000
   1549       6.0754      0.00000
   1550       6.0827      0.00000
   1551       6.0844      0.00000
   1552       6.1043      0.00000
   1553       6.1220      0.00000
   1554       6.1274      0.00000
   1555       6.1392      0.00000
   1556       6.1463      0.00000
   1557       6.1522      0.00000
   1558       6.1632      0.00000
   1559       6.1648      0.00000
   1560       6.1869      0.00000
   1561       6.1896      0.00000
   1562       6.1998      0.00000
   1563       6.2135      0.00000
   1564       6.2184      0.00000
   1565       6.2329      0.00000
   1566       6.2361      0.00000
   1567       6.2398      0.00000
   1568       6.2472      0.00000
   1569       6.2660      0.00000
   1570       6.2726      0.00000
   1571       6.2840      0.00000
   1572       6.2958      0.00000
   1573       6.3012      0.00000
   1574       6.3087      0.00000
   1575       6.3251      0.00000
   1576       6.3482      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.058  13.371   0.000   0.001  -0.000  -0.002  -0.005   0.000
 13.371  17.776   0.001   0.002  -0.000  -0.003  -0.006   0.001
  0.000   0.001  -4.204   0.002  -0.000   8.222  -0.004   0.000
  0.001   0.002   0.002  -4.207   0.001  -0.004   8.226  -0.001
 -0.000  -0.000  -0.000   0.001  -4.199   0.000  -0.001   8.216
 -0.002  -0.003   8.222  -0.004   0.000 -18.209   0.007  -0.000
 -0.005  -0.006  -0.004   8.226  -0.001   0.007 -18.213   0.001
  0.000   0.001   0.000  -0.001   8.216  -0.000   0.001 -18.206
 total augmentation occupancy for first ion, spin component:           1
  8.467  -3.816   0.264   0.178  -0.016   0.035   0.032  -0.003
 -3.816   1.799  -0.156  -0.115   0.005  -0.017  -0.018   0.002
  0.264  -0.156   1.761  -0.037   0.005   0.162  -0.010   0.000
  0.178  -0.115  -0.037   1.924  -0.085  -0.009   0.182  -0.012
 -0.016   0.005   0.005  -0.085   1.216   0.000  -0.012   0.080
  0.035  -0.017   0.162  -0.009   0.000   0.017  -0.001   0.000
  0.032  -0.018  -0.010   0.182  -0.012  -0.001   0.019  -0.002
 -0.003   0.002   0.000  -0.012   0.080   0.000  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -57940.88287120251.20045 42668.35199-12779.78645  6231.54516 29980.10048
  Hartree -2599.40917147425.38811 80417.61919-13044.58177  4448.95290 24341.52367
  E(xc)  -10784.42190-10649.70924-10688.19282     2.37187     7.46669    28.69690
  Local   27185.07756************************ 25783.17854-10785.68410-53744.67709
  n-local -5926.28204 -6028.69968 -6110.54620    12.23249    22.94952   -55.91475
  augment  1488.57593  1537.76159  1480.14243     4.06737    13.67027    -2.76544
  Kinetic 45889.07044 43494.64202 44141.40175   -51.08591   -86.52286  -516.04529
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      219.5866611   -231.7142062    347.0697773    -73.6038693   -147.6224164     30.9184810
  in kB       36.6178334    -38.6401986     57.8766634    -12.2740344    -24.6172196      5.1559042
  external PRESSURE =      18.6180994 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.319E+03 -.125E+03 0.258E+03   0.319E+03 0.124E+03 -.260E+03   0.293E+00 0.420E+00 0.134E+01   -.260E-03 -.141E-02 -.894E-04
   -.291E+03 -.145E+03 0.393E+02   0.291E+03 0.145E+03 -.384E+02   -.509E-01 -.640E+00 -.716E+00   -.507E-03 -.134E-02 0.129E-03
   -.247E+03 -.150E+03 -.429E+01   0.247E+03 0.152E+03 0.615E+01   -.303E-01 -.504E+00 -.165E+01   -.343E-03 -.169E-02 0.224E-03
   -.287E+03 -.114E+03 0.363E+03   0.287E+03 0.113E+03 -.365E+03   -.975E-01 0.100E+00 0.233E+01   0.183E-04 -.144E-02 -.314E-03
   -.239E+03 -.170E+03 0.322E+03   0.239E+03 0.172E+03 -.323E+03   0.135E+00 -.950E-01 0.896E+00   0.434E-04 -.169E-02 -.333E-03
   -.209E+03 -.143E+03 0.177E+03   0.209E+03 0.144E+03 -.177E+03   0.402E+00 0.235E+00 -.555E-01   -.101E-03 -.231E-02 -.521E-04
   -.343E+03 -.157E+03 0.154E+03   0.342E+03 0.167E+03 -.148E+03   0.258E+00 -.326E+01 0.630E+00   -.392E-03 -.123E-02 -.463E-03
   -.278E+03 -.113E+03 0.298E+02   0.281E+03 0.118E+03 -.409E+02   -.317E+00 -.320E+01 0.171E+01   -.101E-02 -.894E-03 0.954E-04
   -.145E+03 0.167E+02 0.213E+03   0.145E+03 -.170E+02 -.213E+03   0.165E+00 -.218E+00 -.629E-01   0.137E-05 -.241E-02 -.219E-03
   -.131E+03 0.101E+03 0.767E+02   0.131E+03 -.102E+03 -.758E+02   0.169E+00 0.512E+00 -.108E+01   -.942E-04 -.250E-02 -.826E-04
   -.150E+03 0.135E+03 0.139E+03   0.150E+03 -.135E+03 -.138E+03   0.260E+00 0.105E-01 -.886E+00   -.103E-03 -.237E-02 -.614E-03
   -.156E+03 0.163E+02 0.349E+03   0.156E+03 -.173E+02 -.351E+03   -.229E+00 -.239E+00 0.750E+00   0.214E-03 -.169E-02 -.984E-03
   -.163E+03 -.231E+02 0.384E+03   0.163E+03 0.241E+02 -.386E+03   -.491E+00 -.802E+00 0.224E+01   0.317E-03 -.147E-02 -.155E-02
   -.163E+03 0.500E+02 0.330E+03   0.163E+03 -.487E+02 -.331E+03   0.317E+00 -.798E+00 0.138E+01   -.201E-04 -.226E-02 -.103E-02
   -.172E+03 0.157E+03 0.277E+03   0.170E+03 -.170E+03 -.275E+03   0.779E+00 0.292E+01 0.178E+01   -.262E-03 -.157E-02 -.155E-02
   -.189E+03 0.142E+03 0.123E+03   0.191E+03 -.142E+03 -.138E+03   -.255E-01 0.216E+01 0.221E+01   -.428E-03 -.290E-02 -.687E-04
   -.172E+03 0.139E+03 0.481E+02   0.173E+03 -.136E+03 -.446E+02   -.555E+00 -.424E+01 -.407E+01   -.102E-02 -.165E-02 -.995E-03
   -.954E+02 0.225E+03 -.178E+03   0.953E+02 -.226E+03 0.179E+03   0.826E+00 0.162E+01 -.210E+01   -.702E-03 -.162E-02 -.945E-03
   -.591E+02 0.159E+03 -.210E+03   0.588E+02 -.159E+03 0.212E+03   0.866E+00 -.150E+00 -.228E+01   -.425E-03 -.125E-02 -.126E-02
   -.160E+03 0.126E+03 0.184E+03   0.162E+03 -.125E+03 -.186E+03   -.835E+00 -.190E+00 0.315E+01   -.931E-03 -.591E-04 -.102E-02
   -.999E+02 0.926E+02 0.548E+01   0.993E+02 -.940E+02 -.457E+01   0.132E+01 0.225E+01 -.123E+01   -.700E-03 0.959E-03 -.195E-02
   -.825E+02 0.374E+02 -.158E+03   0.829E+02 -.377E+02 0.158E+03   0.326E-01 -.275E+00 -.941E+00   -.580E-03 -.652E-03 -.198E-02
   -.948E+02 -.278E+02 -.213E+03   0.951E+02 0.284E+02 0.212E+03   -.302E-02 -.404E+00 0.103E+01   -.386E-03 0.671E-04 -.131E-02
   -.608E+02 -.817E+02 -.296E+03   0.618E+02 0.838E+02 0.295E+03   -.127E+01 -.230E+01 0.121E+01   -.638E-03 -.697E-03 0.548E-03
   -.347E+02 -.151E+03 -.398E+03   0.344E+02 0.152E+03 0.399E+03   0.419E+00 -.697E+00 -.185E+01   0.193E-03 0.236E-04 0.113E-02
   -.157E+03 -.165E+03 -.203E+03   0.158E+03 0.165E+03 0.201E+03   -.903E+00 -.489E+00 0.232E+01   -.818E-05 0.114E-02 -.191E-02
   -.124E+03 -.310E+03 -.235E+03   0.124E+03 0.311E+03 0.235E+03   -.666E-01 -.117E+01 0.331E+00   0.500E-03 0.117E-02 -.103E-02
   -.654E+02 -.266E+03 -.347E+03   0.656E+02 0.268E+03 0.348E+03   -.199E-01 -.819E+00 -.312E+00   0.789E-03 0.805E-03 0.618E-03
   -.462E+02 -.232E+02 -.281E+03   0.502E+02 0.325E+02 0.277E+03   -.492E+01 -.944E+01 0.438E+01   -.175E-02 -.236E-02 0.207E-02
   -.924E+02 0.684E+02 0.319E+02   0.885E+02 -.784E+02 -.266E+02   0.412E+01 0.935E+01 -.446E+01   -.416E-03 0.307E-02 -.325E-02
   -.177E+03 -.426E+02 -.726E+02   0.177E+03 0.426E+02 0.741E+02   0.444E-01 0.143E-01 -.200E+01   -.283E-03 -.151E-02 -.575E-04
   -.122E+03 -.168E+03 0.102E+03   0.122E+03 0.169E+03 -.102E+03   0.116E-02 -.766E+00 0.540E+00   -.446E-03 -.156E-02 -.320E-04
   -.152E+03 -.157E+03 0.146E+03   0.152E+03 0.159E+03 -.147E+03   0.116E+00 -.143E+01 0.885E+00   -.722E-03 -.174E-02 0.313E-04
   -.304E+03 0.718E+01 -.162E+03   0.303E+03 -.910E+01 0.165E+03   0.813E+00 0.194E+01 -.299E+01   -.210E-03 -.131E-02 0.118E-05
   -.302E+03 -.767E+02 -.193E+03   0.302E+03 0.774E+02 0.194E+03   0.349E+00 0.496E+00 -.108E+01   -.290E-03 -.158E-02 0.150E-03
   -.228E+03 -.719E+02 -.371E+02   0.227E+03 0.720E+02 0.379E+02   0.162E+00 0.376E+00 0.125E+00   -.675E-03 -.208E-02 -.199E-04
   -.673E+02 -.628E+02 -.386E+02   0.665E+02 0.658E+02 0.435E+02   0.257E-01 -.383E+01 -.279E+01   -.518E-03 -.145E-02 -.334E-03
   -.305E+02 -.154E+03 0.762E+02   0.289E+02 0.155E+03 -.643E+02   0.145E+00 -.240E+01 -.294E+01   -.521E-03 -.148E-02 -.727E-04
   -.192E+03 0.706E+02 -.429E+02   0.192E+03 -.713E+02 0.431E+02   -.124E+00 -.897E-01 -.800E-01   -.126E-02 -.197E-02 0.116E-03
   -.864E+02 0.838E+02 0.160E+03   0.862E+02 -.850E+02 -.162E+03   -.381E-01 0.104E+01 0.201E+01   -.178E-02 -.183E-02 0.655E-04
   -.231E+02 0.989E+02 0.951E+02   0.226E+02 -.100E+03 -.955E+02   0.153E+00 0.804E+00 0.850E+00   -.237E-02 -.130E-02 0.140E-03
   -.222E+03 0.981E+02 -.247E+03   0.222E+03 -.997E+02 0.248E+03   -.389E-01 0.378E+00 -.104E+01   -.128E-02 -.163E-02 0.587E-03
   -.176E+03 0.425E+02 -.323E+03   0.176E+03 -.420E+02 0.325E+03   0.141E+00 0.313E+00 -.227E+01   -.202E-02 -.148E-02 0.718E-03
   -.795E+02 0.760E+02 -.186E+03   0.794E+02 -.762E+02 0.187E+03   -.415E-01 0.892E+00 -.134E+01   -.275E-02 -.135E-02 0.188E-03
   -.223E+02 0.132E+03 -.103E+03   0.218E+02 -.139E+03 0.100E+03   0.324E+00 0.435E+01 -.271E+00   -.362E-02 -.946E-03 -.487E-03
   0.501E+02 0.924E+02 0.113E+03   -.524E+02 -.968E+02 -.107E+03   0.805E+00 0.379E+01 -.185E+01   -.262E-02 -.789E-03 -.107E-03
   0.794E+02 0.627E+02 0.101E+03   -.787E+02 -.576E+02 -.102E+03   -.122E+01 -.563E+01 0.215E+01   -.377E-02 0.566E-03 -.113E-02
   0.275E+02 0.149E+03 0.295E+03   -.268E+02 -.150E+03 -.298E+03   -.101E+01 0.162E+01 0.255E+01   -.331E-02 0.178E-02 -.111E-02
   -.110E+02 0.148E+03 0.240E+03   0.120E+02 -.147E+03 -.242E+03   -.130E+01 -.263E+00 0.153E+01   -.299E-02 0.316E-02 -.201E-02
   0.856E+02 0.820E+02 -.711E+02   -.862E+02 -.823E+02 0.741E+02   0.343E+00 0.737E+00 -.363E+01   -.421E-02 0.132E-02 -.207E-02
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   -.234E+03 0.175E+02 0.868E+02   0.253E+03 -.498E+02 -.452E+02   -.195E+02 0.327E+02 -.416E+02   -.147E-02 -.104E-02 -.176E-02
   0.762E+03 -.315E+02 0.407E+02   -.785E+03 0.491E+02 -.803E+02   0.224E+02 -.180E+02 0.415E+02   -.134E-03 0.522E-03 0.735E-03
   -.703E+02 0.342E+03 0.255E+02   0.124E+03 -.374E+03 -.389E+02   -.537E+02 0.297E+02 0.133E+02   0.148E-02 -.962E-05 0.291E-03
   0.914E+03 0.290E+03 0.129E+03   -.951E+03 -.316E+03 -.119E+03   0.380E+02 0.271E+02 -.954E+01   -.579E-04 -.268E-03 0.563E-03
   0.831E+03 -.106E+03 -.578E+03   -.837E+03 0.117E+03 0.625E+03   0.490E+01 -.116E+02 -.474E+02   -.180E-03 0.975E-03 0.104E-02
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   0.152E+03 0.610E+03 0.346E+01   -.180E+03 -.671E+03 0.326E+01   0.274E+02 0.580E+02 -.906E+01   0.185E-02 0.422E-03 0.459E-03
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   0.223E+03 -.560E+03 -.202E+03   -.249E+03 0.596E+03 0.237E+03   0.261E+02 -.354E+02 -.360E+02   -.738E-03 0.887E-03 0.149E-02
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   0.142E+03 -.510E+03 -.963E+02   -.168E+03 0.535E+03 0.126E+03   0.279E+02 -.259E+02 -.306E+02   0.632E-03 -.167E-02 0.412E-02
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   -.248E+03 0.169E+03 0.678E+03   0.287E+03 -.190E+03 -.704E+03   -.394E+02 0.213E+02 0.258E+02   0.542E-02 -.367E-05 -.700E-03
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 -----------------------------------------------------------------------------------------------
   0.195E+01 -.740E+02 -.550E+02   0.433E-10 0.568E-11 0.739E-12   -.188E+01 0.740E+02 0.550E+02   -.729E-01 -.382E-01 -.378E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.70760      3.16125      1.41768         0.556886     -0.442747     -0.241418
     12.55817      3.59965      2.71279         0.258111     -1.091592      0.157534
     12.55997      4.95072      3.01578         0.111682      1.249210      0.201939
     12.83371      4.06714      0.36825         0.122057     -0.408591      0.622311
     12.86011      5.41102      0.67542         0.181381      1.275583      0.136802
     12.72994      5.92669      1.99711         0.337794      0.629255     -0.314383
     12.73572      1.63644      1.38909        -0.885315      7.178838      6.678333
     12.31605      2.33723      3.58901         2.713343      1.577873     -9.422451
     12.83479      7.47185      2.23066         0.236797     -0.536271     -0.384167
     12.75072      8.10158      3.49722         0.183353     -0.837121     -0.218679
     13.02079      9.45725      3.65474         0.333591      0.276732      0.289811
     13.13805      8.34686      1.14580        -0.061920     -1.252563     -0.463423
     13.33253      9.70771      1.28231        -0.161282      0.235781      0.590396
     13.26031     10.25651      2.55757         0.542000      0.485332      0.528864
     13.49989     11.70065      3.04504        -1.553326     -9.590318      4.098572
     13.12840     10.32482      4.95313         1.976377      2.065518    -12.806900
     13.53836     12.81159      5.33073         0.093229     -1.078384     -0.551088
     13.18585     12.73437      6.68000         0.697798      0.299174     -0.779536
     13.25288     13.86664      7.46098         0.575512     -0.058577     -0.669571
     13.83567     14.09329      4.86311         0.413078      0.594129      0.854745
     13.87039     15.23159      5.70488         0.628714      0.808367     -0.318813
     13.59978     15.17198      7.09805         0.436914     -0.517915     -0.559413
     13.66684     16.28130      8.08894         0.316019      0.154659      0.494862
     13.20421     16.20584      9.42817        -0.207816     -0.239092      0.295864
     13.35386     17.27071     10.31786         0.055103     -0.140120     -0.116996
     14.21402     17.54240      7.80340         0.209496     -0.283990      0.187303
     14.32360     18.62770      8.63602         0.161216     -0.053718      0.099963
     13.91205     18.47648      9.93444         0.166375      0.494769      0.565544
     12.53180     14.99119      9.98385        -0.920344     -0.063523      1.233526
     14.33186     16.55656      5.06281         0.222255     -0.651094      0.823787
      9.70570      3.83129      4.80900        -0.111800      0.051214     -0.492410
      9.90636      4.76410      3.81651        -0.237661      0.040798     -0.096327
     10.02696      6.11630      4.14677        -0.128737      0.009287     -0.094741
      9.58495      4.20492      6.13340         0.224839      0.022150     -0.438163
      9.68545      5.53412      6.46337         0.182436      1.199523      0.181239
      9.94472      6.54225      5.48196        -0.133664      0.545832      0.842418
      9.62166      2.49461      4.19674        -0.776901     -0.814878      2.168818
      9.99390      4.01908      2.47479        -1.484883     -1.718915      8.911232
     10.08730      8.02007      5.89012        -0.310913     -0.787087      0.098859
     10.35021      9.00743      4.92580        -0.253476     -0.111512      0.352772
     10.41943     10.34815      5.26408        -0.327293     -0.373439      0.532091
      9.92160      8.45664      7.23629        -0.279664     -1.220173     -0.421884
     10.03521      9.78162      7.59601         0.073159      0.801420     -0.285509
     10.28973     10.71309      6.58778        -0.133975      0.632171     -0.048550
     10.46360     12.20389      6.65084        -0.148570     -3.605695     -3.189251
     10.75186     11.55822      4.45182        -1.417544     -0.591270      3.975650
     11.01892     14.04260      4.97071        -0.532162     -0.543062      0.507595
     11.48000     14.38044      3.70388        -0.319231      0.365725     -0.081462
     11.78143     15.70783      3.43872        -0.303586      0.230104     -0.251782
     10.96365     15.10018      5.90249        -0.265524      0.479527     -0.633136
     11.19141     16.45537      5.56157        -0.120328      0.362845      0.270143
     11.58682     16.84339      4.24320         0.329624     -0.286531      0.078298
     12.01821     18.23356      3.77767        -0.382423      0.274432      0.756142
     12.50356     18.59452      2.51576        -0.084674     -0.213172     -0.970183
     12.60141     19.98239      2.17185         0.017715     -0.574846      0.253201
     11.87108     19.35351      4.62991         0.246853     -0.027051     -0.123712
     12.01362     20.70309      4.36650         0.370915     -0.661416     -0.291872
     12.36865     21.05565      3.07179         0.641670      0.730204     -0.424065
     12.70012     17.50178      1.34558         1.550740      1.902053     -0.894331
     10.96366     17.48370      6.68155        -1.080622      0.016136      1.101364
     10.02203      7.16073     14.59265         0.543681      0.086347     -0.048253
      9.89700      7.62471     15.88435         0.457064     -1.516104      0.002856
      9.91516      8.96996     16.18284         0.474980      0.719460      0.275368
     10.12295      8.07588     13.53881         0.126652     -0.208444      0.633560
     10.15820      9.42971     13.85217         0.407861      1.177656     -0.135929
     10.08052      9.94003     15.17794         0.414826      1.055030     -0.212862
      9.91279      5.67039     14.60550         0.239145      2.296463      1.322886
      9.62063      6.37428     16.75885         2.117735      1.423077     -7.728422
     10.18554     11.48955     15.48596         0.342979     -0.569751     -0.511228
     10.12230     12.05903     16.78443         0.097344     -0.750446      0.069818
     10.30002     13.43240     17.00336         0.215765      0.252242      0.217815
     10.44207     12.41953     14.42986         0.035021     -1.232921     -0.352795
     10.59812     13.77699     14.63137        -0.093039      0.154963      0.624240
     10.49539     14.27404     15.93176         0.446515      0.465536      0.288763
     10.59690     15.70612     16.43601        -0.087571     -5.163446      1.238535
     10.24192     14.30618     18.30523         1.724638      0.881549     -8.652567
     10.43710     16.85368     18.70234         0.332125     -0.994291     -0.684808
     10.12409     16.78089     20.04497         0.155243      0.579590     -0.067953
     10.00025     17.95887     20.76706         0.239956      0.158467     -0.572931
     10.62067     18.16040     18.23532         0.587126      0.800845      0.482987
     10.57551     19.33515     19.02316         0.847075      0.731491      0.129203
     10.26521     19.29875     20.41847         0.267034     -0.629164     -0.471074
     10.23062     20.43654      0.14563        -0.673019      0.567876      0.743236
      9.76164     20.38976      1.50849         0.420955     -1.114081     -0.058478
      9.74280      0.23417      2.36536        -0.488125     -0.517477     -1.088382
     10.55286      0.51583     21.10960        -0.344803     -0.722959     -0.414104
     10.30416      1.65729      0.57354        -0.222561      0.132731      0.859391
      9.93017      1.54885      1.90446        -0.611813     -0.002435      0.748739
      9.47223     19.04235      2.16399        -2.691723      1.916944      1.082790
     10.91467     20.68711     18.37827         0.827505      0.018816     -0.466400
      7.09619      7.61376     17.53163        -0.285102     -0.726636      0.290511
      7.30592      8.54279     16.56242        -0.645852     -0.118822     -0.819305
      7.45637      9.89022     16.87672        -0.141861      0.768318     -0.018822
      7.06415      7.98147     18.87849         0.121246     -0.024076     -0.591082
      7.11904      9.32559     19.18478         0.015344      1.021187      0.292718
      7.32841     10.34482     18.19824        -0.255822      0.582163      0.681976
      6.94751      6.23752     16.89566         0.583773      6.376885     -1.770492
      7.32713      7.80706     15.20379        -1.808790     -2.854902      9.803899
      7.36102     11.85169     18.60535        -0.345280     -0.919647      0.118908
      7.60066     12.91764     17.71310        -0.199382     -0.483015     -0.266762
      7.56643     14.24043     18.12782        -0.308176      0.587282      0.210211
      7.07770     12.23427     19.93597        -0.098973     -1.212753     -0.153716
      7.04764     13.55072     20.34778         0.221282      0.381735     -0.202585
      7.29594     14.55939     19.44124        -0.098682      0.463496     -0.216881
      7.35872     16.06578     19.61655         0.642490     -5.169593     -5.120102
      7.87816     15.54735     17.41200        -2.927698     -2.100929      7.131460
      7.84066     18.01869     18.07345        -0.230822     -0.605494     -0.126095
      8.45334     18.43019     16.88182        -0.643623     -0.308097      0.385684
      8.72702     19.76426     16.69344         0.068391      0.730207     -0.633124
      7.57450     19.06277     18.98793        -0.506609      0.238958     -0.383150
      7.70428     20.43495     18.65330        -0.499298      0.427174      0.438603
      8.24266     20.88070     17.40757         0.055298     -0.180951      0.309387
      8.58234      1.07177     17.00196         0.122354     -0.083566      0.577619
      8.99265      1.43361     15.72056         0.086937     -0.931379     -0.678292
      9.28288      2.78687     15.37176         0.384735     -0.701291      0.227002
      8.64007      2.18464     17.89081        -0.229416      0.034071      0.301415
      8.91920      3.51321     17.60567         0.186059     -0.538368     -0.476406
      9.27181      3.84568     16.28907         0.741245      0.923231      0.097362
      9.14029      0.33613     14.63302         1.664104     -0.977660     -2.390730
      7.28168      0.19645     19.72766        -1.296563      0.192614      0.653380
      7.03267     10.84456      6.12863        -0.213919     -0.192390      0.266376
      6.84478     11.32223      7.40889        -0.131641     -0.491442     -0.132860
      6.96418     12.67228      7.70410        -0.007268      0.473578      0.153817
      7.37575     11.70247      5.09523        -0.173091     -0.153601      0.212533
      7.50430     13.04859      5.39030         0.091021      1.226128      0.007039
      7.28996     13.59871      6.69177         0.071250      0.768421     -0.374626
      6.86109      9.36210      6.16381         0.244976      2.012762     -0.254973
      6.54837     10.11098      8.28681         1.215911      1.391800     -6.544080
      7.40354     15.13097      6.93232        -0.033105     -0.598243     -0.582329
      7.12306     15.76287      8.15986        -0.005043     -0.368597      0.051333
      7.25326     17.14769      8.28391        -0.078045      0.614506      0.298330
      7.78458     16.00090      5.86722        -0.180788     -1.241356     -0.433687
      7.85619     17.37119      5.98728        -0.442614      0.140307      0.283539
      7.60594     17.94883      7.22482        -0.323309      0.225971      0.208096
      7.72140     19.38488      7.71519        -0.867052     -4.296689      0.102060
      7.10289     18.07691      9.48542         1.802791      0.198629     -6.567100
      7.42516     20.59007      9.90273         0.137312     -0.981632     -0.402612
      6.99370     20.54299     11.21376         0.076534      0.547697      0.343989
      6.83090      0.45064     11.93746         1.057577     -0.094821     -0.067205
      7.77102      0.61587      9.50288         0.619888      0.860457      0.367963
      7.78558      1.75024     10.36865         0.837696      0.543814     -0.360061
      7.30524      1.74251     11.69746         0.587973      0.159192      0.006464
      7.31744      2.89181     12.73411         0.084695      0.324703      0.754102
      6.86241      2.91182     14.10543         0.077649     -1.101639     -0.514373
      6.84161      4.01820     14.95990        -0.336285     -0.761021     -1.106473
      7.78129      4.18043     12.48937        -0.366683      0.202097      0.577237
      7.62005      5.35170     13.25406         0.221521     -0.948190      0.552130
      7.17339      5.32194     14.55159        -0.611070     -0.055570      1.009920
      6.34425      1.58868     14.62217       -11.559302     22.004934      5.748599
      8.36295      3.02788      9.81710         0.413334      0.358290     -0.398359
      4.02540     11.50589     10.76457        -0.037476     -0.324017     -0.006399
      3.75051     12.38491      9.74180        -0.050525     -0.320300     -0.231772
      3.82312     13.75876      9.94127         0.013335      0.470736     -0.041509
      4.36492     11.97410     12.02964        -0.045963     -0.199449     -0.287105
      4.41777     13.34114     12.23649         0.154503      1.293359      0.384122
      4.16173     14.29660     11.20392         0.197667      0.230235      0.465923
      3.86406     10.08715     10.25007        -0.605641      6.405032     -1.967018
      3.37830     11.54921      8.51765         1.490655     -0.419274      5.102364
      4.27048     15.81727     11.46050        -0.023767     -1.724209      0.052530
      4.12225     16.72517     10.41113         0.003381      1.494325      0.289586
      4.21795     18.11239     10.64006        -0.116269     -1.496202     -0.102046
      4.57022     16.31647     12.75760         0.002503     -0.083942     -0.329284
      4.73270     17.67205     12.97172         0.130366      0.210193      0.252758
      4.51186     18.56079     11.91949        -0.537751     -2.610361     -1.011869
      4.52271     19.88003     11.67814         1.193749      7.562511     13.107274
      4.27957     19.31666      9.74948        -0.788234     -1.612429     -1.040135
      4.64485      0.60058     10.11553        -0.379260      1.171522      0.823200
      4.92871      0.94053      8.79571        -0.355777     -0.400479     -0.221996
      5.22255      2.26103      8.46653         0.162544     -0.048334     -0.144322
      4.63412      1.73123     10.98485        -0.406215      0.434805     -0.576642
      4.86873      3.09094     10.59226        -0.107124      0.252339      0.567078
      5.31871      3.41207      9.27458        -0.279142     -0.253665      0.019764
      5.84933      4.79437      8.72763        -0.582464      0.093105      1.488199
      6.22946      5.09553      7.44378         0.700415      0.358319     -2.434725
      6.48972      6.45736      7.05523         0.289110     -0.799383     -0.460745
      5.83768      5.96538      9.53508         0.332260      0.089658     -1.014725
      6.06110      7.28999      9.21657         0.303557     -0.676508     -0.904398
      6.37426      7.57269      7.87813         0.429230      1.072364      0.502911
      6.26842      3.98665      6.30370         1.751220      0.020716     -0.373973
      4.75342      4.14877     11.72159        -1.238414     -0.185707      1.559250
      1.36523     14.34564      0.66692        -0.699930      0.363701     -0.042369
      1.84358     14.77676      1.88664        -0.042907     -1.391050     -0.024057
      1.74809     16.12316      2.22635        -0.125048      1.007759      0.661728
      0.79948     15.25345     21.01162         0.468734     -0.323825      1.022983
      0.82683     16.59415      0.04654        -0.271769      1.113134      0.107125
      1.24321     17.10074      1.31201        -0.578552      0.509813     -0.150579
      1.47007     12.86898      0.54355         1.066464      3.114004      3.126275
      2.46206     13.47460      2.56059        -4.336517      1.659075     -8.135201
      1.08461     18.64167      1.54120        -0.340890     -0.800263     -0.640420
      1.42071     19.31477      2.72588        -0.031516     -0.531649      0.147836
      1.27436     20.69163      2.81022        -0.162839      0.747651      0.453554
      0.56409     19.47157      0.48672        -0.108316     -1.320955     -0.392480
      0.39885     20.83492      0.58311         0.098481      0.241159      0.640384
      0.76220      0.18366      1.77672        -0.261592      0.044776     -0.149910
      0.80491      1.64092      2.12984         0.384309     -4.322526      1.023295
      1.65589      0.41985      3.91146        -2.669903     -0.135003     -5.961253
      1.53794      2.95164      4.09665        -0.345852     -0.842315     -0.360858
      2.07215      2.90866      5.35954        -0.089050      0.612779     -0.080066
      2.23481      4.10423      6.01088        -0.351118      0.505091     -0.463744
      1.17559      4.22157      3.63222        -0.003965      0.368119      0.647491
      1.39273      5.40986      4.35619        -0.602334      0.855410     -0.465285
      2.01265      5.44764      5.62184        -0.523559     -0.787421      0.018945
      2.31662      6.65907      6.46320         0.202982      0.371850      1.060835
      2.92827      6.60418      7.72671        -0.268456     -0.295589      1.050610
      3.33478      7.74282      8.50097        -0.644864     -1.413886     -0.399927
      2.17598      8.03056      6.11682         0.216348     -0.907988      0.717293
      2.61704      9.14770      6.78951        -0.216248     -0.068279      0.029544
      3.17872      9.04200      8.06205         0.005274      1.106809      0.638848
      3.14531      5.27267      8.42467        -2.341790      0.324299     -4.147719
      0.86110      6.70398      3.74558        -0.721652     -0.142974     -0.299760
      4.61323     14.05482      0.75024         0.269806     -0.314338     -0.264393
      3.92143     14.98444     -0.00006         0.011367     -0.956209     -0.951772
      3.93645     16.33708      0.35043        -0.058471      1.082750     -0.190443
      5.39761     14.49842      1.81795        -0.315237     -0.338784     -0.375570
      5.41614     15.84121      2.14312         0.367782      1.323110      0.663105
      4.67626     16.84896      1.45354         0.322973      0.293179      0.212292
      4.46249     12.63966      0.16030        -2.399552      7.382595     -1.762337
      3.24361     14.13640     20.06804         8.682696     -3.130321     10.792051
      4.74986     18.37458      1.90683         0.369926     -0.546389      0.121188
      4.07483     19.46349      1.29855        -0.282651     -0.565015     -0.692054
      4.20563     20.77962      1.75508         0.062779      0.925753      0.093643
      5.58532     18.76519      3.00328         0.116300     -1.300779     -0.113328
      5.73274     20.06615      3.45692        -0.255511      0.445277     -0.063594
      5.01121     21.08186      2.82931        -0.052724      0.086354     -0.149464
      4.96747      1.31297      3.07220         0.379041     -2.666011     -0.303499
      3.61273      0.89364      1.29745         4.736898     -2.835299      5.158225
      3.80954      3.33512      2.14364         0.234675      0.048558      0.101879
      2.95461      3.91780      1.22091        -0.252132     -0.186056     -0.685384
      2.68633      5.29371      1.24860        -0.264491     -0.264010     -1.564611
      4.24956      4.29601      3.08550         0.368770     -0.090219     -0.371384
      4.05051      5.68607      2.97122         0.267498      1.133278      0.435920
      3.32751      6.34823      1.93152         1.033461     -0.269357      1.100545
      3.24802      7.94619      1.77279        -0.295995      0.765163      1.083492
      2.34681      8.58953      0.94071        -1.635461      1.073378     -0.838478
      2.08890      9.99185      0.78043        -0.478455     -1.153691     -0.176963
      3.67037      8.99699      2.67295         0.011258     -1.684067     -1.351790
      3.33491     10.30783      2.69417        -0.207321      2.180394      0.190966
      2.54587     10.92781      1.69902         0.071311      0.427139      0.476080
      1.74727      7.63519     21.23464        -2.908917      1.206930     -0.057795
      4.68037      6.54329      4.06663        -0.116864      0.218306     -1.013302
     18.33739     17.33019     13.30374        -0.165091     -1.124505      0.331952
     19.37103     17.80074     14.07646         0.103021     -0.206683      0.441515
     19.55918     19.16390     14.24336        -0.446014      0.726925     -0.099460
     17.44347     18.18755     12.68704         0.043583     -0.016275      0.169257
     17.62378     19.54908     12.86552        -0.100707      1.186678      0.106890
     18.68081     20.09568     13.64606        -0.201699      0.551507      0.101275
     18.38158     15.80063     13.33821         4.992188      6.951390      3.848256
     20.18765     16.62735     14.57156        -3.452636      0.809217     -1.225912
     18.82562      0.36338     13.87279        -0.794479     -0.710511     -0.420439
     19.87058      0.93899     14.61535        -0.236051      0.151472      0.164910
     19.84232      2.30633     14.91419        -0.116733      0.052682      0.161150
     17.80507      1.25274     13.41664        -0.073918     -1.025257     -0.301928
     17.79736      2.60700     13.69219         0.520957      0.081450      0.142741
     18.84128      3.12855     14.43732         0.552804      0.220942      0.811964
     19.08752      4.50759     15.00140        -1.296956     -1.624365     -0.983244
     20.71012      3.14138     15.85086        -8.946644      1.986428     -5.438441
     20.77336      5.60306     16.52917         0.766435     -0.096529      0.566152
      0.84059      5.56776     17.09441        -1.821590      0.293762     -0.733379
      1.49165      6.75254     17.35334        -2.169110      0.888857      1.522421
     20.27504      6.90932     16.47584        -0.645227      0.672992      0.891972
     20.84121      8.04779     17.14056         0.585041      0.467710      0.616058
      0.94186      8.03143     17.64365        -2.006046      0.496082     -0.034855
      1.66992      9.23352     18.35815         1.758803     -1.970364     -0.733839
      2.99356      9.18327     18.95477         0.063400     -1.873940     -0.148703
      3.58025     10.26663     19.61153         0.559585     -0.553222      0.046467
      1.14674     10.44007     18.59276         0.220080      1.916208      0.688233
      1.78390     11.64094     19.03489         0.664737     -2.125792      0.168496
      3.04661     11.58067     19.56430         0.518491      0.933675      0.916259
      3.73378      7.79700     18.94641         3.654440      3.678164      0.006993
     19.95439      9.30939     17.24089         2.163953     -0.296199      1.667540
      2.04242     18.12972     14.14142        -0.520875     -0.693686     -0.505157
      1.26941     19.06268     13.48671        -0.251411      0.201007     -0.140537
      1.41596     20.41248     13.80132         0.455563      0.476705      0.246542
      3.07706     18.52683     14.97713        -0.624236     -0.508478     -0.027910
      3.31941     19.86528     15.16356         0.534024      1.713451      0.501432
      2.45476     20.88336     14.64502        -0.177653      0.416568      0.286725
      1.63697     16.74093     13.68390        -2.970893      9.675971     -2.491950
      0.29208     18.37394     12.50670         6.342095     -1.903592      5.230517
      2.63458      1.13846     14.95826        -0.274953     -1.652631      0.190871
      1.83814      2.10374     14.34856         0.723893      1.077773      0.511525
      2.05825      3.47189     14.59242        -0.086017     -1.058285     -0.275659
      3.63087      1.57426     15.85875        -0.045548     -0.323149      0.069665
      3.88725      2.91287     16.10918        -0.849754      0.631050     -0.119978
      3.05629      3.84040     15.46498        -0.227080     -0.413828     -0.464477
      2.98396      5.26164     15.50642         6.064393      4.220361      3.695196
      1.27033      4.70602     14.18640         7.843202     -1.471273      4.095657
      1.44420      7.18400     14.75796         1.481192      0.446623      0.407081
      0.19905      7.52459     14.26123        -0.066041     -0.259756     -0.992801
     21.03259      8.85283     14.24170         0.077583     -0.111612     -0.305018
      2.08887      8.28542     15.40496         0.043822      1.200017     -0.695753
      1.63192      9.64067     15.34935         0.095081      0.570498     -0.396582
      0.41034     10.00587     14.69510         0.207258     -0.382356      0.322800
     20.96799     11.35912     14.67579         0.085448      0.042484     -0.171513
     19.67434     11.62017     14.15943        -0.921120     -0.462453     -0.365893
     19.23575     12.96432     13.98794         0.291273     -0.638869      0.336509
      0.35173     12.54559     15.04874        -0.015012      0.049463      0.420637
     -0.06665     13.85913     14.99923        -0.359662     -0.386160      0.062924
     19.97248     14.10961     14.39824        -1.069330      0.295243      0.017103
     18.70514     10.44367     13.54882        -0.575411      2.991508     -0.351907
      2.44018     10.74826     16.01850         2.591230     -1.177726     -0.986439
     16.18037      0.42485      5.12628         0.088418     -0.368836      0.389584
     17.02060      0.92407      6.09735        -0.325298     -0.740943      0.241522
     17.08743      2.28484      6.38894        -0.279053      0.022230      0.186315
     15.29524      1.27052      4.48838         0.266757     -0.189030      0.178758
     15.34294      2.61905      4.78520        -0.187185      1.299205      0.120565
     16.25889      3.19485      5.70918        -0.515206      0.774336     -0.157384
     16.43768     20.19616      4.95660         1.590677      4.940364      3.395196
     17.74956     20.97602      6.69387        -5.752190      1.165943     -7.173169
     16.29022      4.72516      5.96738        -0.421105     -0.541074     -0.404085
     17.17090      5.33148      6.88148        -0.095669     -0.182290      0.052044
     17.13206      6.70904      7.09718         0.018920      0.478220      0.297931
     15.39435      5.61453      5.29666        -0.175222     -1.379991     -0.402235
     15.36571      6.97741      5.51122         0.328313      0.285261      0.249785
     16.25641      7.52998      6.42244         0.163151      0.167552      0.130013
     16.47307      8.95232      6.88977         0.820773     -4.045498     -0.019334
     17.85293      7.59152      8.09740        -2.388961     -0.216433     -2.677235
     17.93148     10.10807      8.58503        -0.395124     -0.819901     -0.214169
     18.93051      9.98991      9.52710         0.059503      0.377715      0.149780
     19.47444     11.12136     10.10625        -0.312912      0.092035      0.181583
     17.51213     11.42244      8.36076        -0.093988      0.668370      0.553328
     18.00071     12.53856      9.07852        -0.501615      0.735974     -0.069430
     19.05868     12.45959     10.03696        -0.392346     -0.268541     -0.012229
     19.71258     13.58222     10.82893         0.908591      0.088393      0.465564
     20.93813     13.55209     11.60933         0.003520     -1.666014     -0.264060
      0.31896     14.65161     12.16000        -0.353536     -1.215035     -0.504207
     19.26615     14.89806     10.84358        -0.040145      0.065609     -0.274701
     19.88245     16.03463     11.36023         0.421102     -0.023277     -0.222612
     21.09310     15.94872     11.99742         1.763047      0.229783      1.054086
      0.36437     12.20040     11.87642         1.866045      2.345755     -0.430808
     17.34427     13.87581      8.76693        -0.412530      0.256742     -0.806171
     20.23486      1.26307      6.17976         0.602484     -0.405083      0.123954
     19.68711      2.29858      5.46655         0.199598      0.789876     -0.353823
     19.79887      3.61916      5.89588         0.112682     -0.224788     -0.106316
     20.82082      1.49456      7.42055        -0.048988     -0.050719     -0.385836
     20.92360      2.79642      7.85955         0.271715      1.354056      0.649443
     20.44413      3.91772      7.10038         0.475665      0.063394      0.720830
     20.01532     -0.02422      5.41661        -3.091039     11.001428     -1.882986
     18.96887      1.73925      4.27524         2.131888     -1.385233      2.135126
     20.64057      5.36543      7.53938        -0.107807     -1.437851      0.108329
     20.23466      6.36162      6.66798         0.333973      1.992760      1.048199
     20.45753      7.71342      7.00816         0.161630     -0.991398      0.610833
     -0.03168      5.72324      8.78302        -0.444344     -0.465715     -0.307179
      0.22167      7.03918      9.11227         0.205077      0.528759      0.458045
     21.09739      8.02897      8.20537        -0.562125     -0.734501     -1.146016
     21.13844      9.44525      8.21345         5.111025      4.384974      7.546163
     20.04819      8.98765      6.36425         0.353672     -0.439027      0.238818
     20.26088     11.48821      6.96316         1.019313      0.563224      0.802958
     19.46217     11.90601      5.91785         0.055602     -0.386303     -0.361370
     19.18645     13.24374      5.73410         0.182569      0.479074     -0.012198
     20.79244     12.56856      7.74382        -0.099460     -0.050826     -0.739070
     20.55471     13.93539      7.45826         0.351767      0.515410     -0.000401
     19.66756     14.36579      6.42503         0.077469     -0.365347     -0.001913
     19.14495     15.77851      6.16987         0.150670      0.204520     -0.014653
     18.25517     16.16562      5.15063        -0.117807      0.124306     -0.816188
     17.76871     17.48577      5.01775         0.557281     -0.121046      0.343661
     19.41464     16.89064      6.99326         0.139318     -0.174150     -0.331397
     18.92660     18.17747      6.95103        -0.118238     -0.232368     -0.472416
     18.03449     18.50587      5.93915        -0.383820      0.950538      0.054855
     17.78012     15.18801      4.10628        -0.601373      0.426378     -1.323233
      0.00475     14.99294      8.29091         1.051682      0.103526      0.871294
     12.28810      5.30602      4.00074         0.438368     -0.144178      0.452958
     12.90895      3.74739     20.60760         0.124108     -0.295632     -0.661357
     13.01052      6.11919     21.10891        -0.146715     -0.230739      0.136448
     12.44278      7.48877      4.33046         0.188889     -0.146307      0.563946
     13.25241      7.91855      0.13714        -0.070288      0.219258      0.313003
     13.54852     10.31564      0.42647         0.130895      0.409153     -0.550602
     13.04334     13.61497      8.43550        -0.302479     -0.275221      1.478987
     12.77047     11.85683      7.14019         0.380710     -0.514984      0.124772
     13.93997     14.28442      3.82608         0.588775     -0.077784     -0.864840
     13.02978     17.13766     11.32983        -0.292191     -0.076474      0.612991
     14.44739     17.81918      6.83013         0.769880     -0.049426     -0.578764
     14.69061     19.56604      8.20356         0.018699     -0.079984      0.311645
     10.22764      6.83303      3.37418        -0.049772      0.386902     -0.563171
      9.36549      3.47413      6.86422         0.109384     -0.557491      0.468930
      9.52665      5.83098      7.51093         0.180589     -0.152605     -0.282587
     10.62416      8.69416      3.95532        -0.287143     -0.128503     -1.250961
      9.63032      7.72559      8.00249         0.227296      0.172835     -0.109571
      9.88719     10.08950      8.62304         0.047572      0.151724      0.298331
     12.29254     15.79119      2.51369         0.097487     -0.008027     -0.105376
     11.77065     13.67253      2.93090        -0.375580     -0.091118      0.175337
     10.81496     14.87815      6.93025        -0.505059     -0.164367      0.719426
     12.61896     20.20231      1.12852         0.733163      0.159122     -0.639493
     11.71187     19.21364      5.65907        -0.279235     -0.102338      0.372646
     11.81590      0.12134      5.18515         0.070312      0.340250     -0.041758
      9.71727      9.31159     17.17750         0.279716     -0.024885      0.807404
     10.10046      7.78153     12.50783         0.185756     -0.333452     -0.582236
     10.28632     10.15090     13.02219        -0.197433     -0.403293      0.292191
      9.83254     11.40820     17.60300         0.292472     -0.062450      0.373318
     10.55790     12.03508     13.40251        -0.077994      0.203122      0.330571
     10.81858     14.42566     13.80838         0.056761      0.472964     -0.571743
      9.80159     17.70529      0.48536        -0.774474     -0.217315      0.884585
      9.96482     15.87383     20.60709        -0.027250     -0.380908     -0.161237
     10.71143     18.34738     17.20471         0.767976     -0.078583     -1.176803
      9.69026      0.00007      3.39629        -0.636635      0.148630      0.900403
     10.88665      0.77015     20.15140         0.874385      0.149425     -0.251798
     10.56816      2.59153      0.11699        -0.156976      0.497667     -0.146940
      7.79626     10.58768     16.12590        -0.385981      0.262521     -0.486811
      6.91092      7.24873     19.64766         0.046491     -0.367082      0.348896
      6.92944      9.62128     20.22672         0.298653     -0.141758     -0.224840
      7.91882     12.66696     16.72462        -0.284287      0.079308     -0.868808
      6.78297     11.46964     20.66988         0.361335      0.271961     -0.235626
      6.78315     13.79437      0.08812         0.126358      0.134567      0.825153
      9.52906     19.87552     15.98144        -0.516339      0.115122     -0.029414
      8.91423     17.76286     16.15625        -0.336020     -0.148328      0.171283
      7.25304     18.83428     19.98189        -0.359535     -0.189161      0.510585
      9.42878      3.01604     14.34453         0.549660      0.053668     -0.763757
      8.54791      2.05444     18.94991        -0.319657     -0.199594      0.144540
      8.81027      4.22303     18.41896         0.308920      0.123602     -0.093573
      6.81427     13.03033      8.70788        -0.091252      0.039946      0.582402
      7.54723     11.34223      4.09610         0.059125     -0.227334     -0.505209
      7.80276     13.72431      4.56811        -0.192470     -0.303873      0.324939
      6.81679     15.15339      8.99549        -0.098056     -0.101387      0.519683
      8.05509     15.56250      4.88840        -0.155290      0.241595      0.425251
      8.18842     17.95973      5.16315        -0.011128      0.419042     -0.667141
      6.23589      0.28839     12.76626        -0.981919     -0.574399      1.118817
      6.56669     19.67197     11.67597         0.395948     -0.520686      0.109646
      8.08910      0.78944      8.51047         0.384917      0.116817     -1.103633
      6.64726      3.75551     15.96137        -0.510575      0.158635      1.064268
      8.01787      4.44590     11.52329         1.074014      0.439907     -1.013953
      7.95041      6.22353     12.77983         0.282503      1.462333     -0.597798
      3.59967     14.44446      9.14134        -0.160580      0.125011     -0.533231
      4.56711     11.30289     12.84621         0.078549     -0.381104      0.344120
      4.66417     13.71365     13.25101        -0.078631     -0.297589     -0.490242
      3.98858     16.41934      9.41725        -0.342097     -0.688388     -1.471688
      4.61247     15.65231     13.62602         0.227457      0.046606     -0.275898
      4.95437     18.04718     13.96090         0.437541      0.094677     -0.114860
      5.43810      2.31301      7.43469         0.057838      0.062488     -0.394399
      4.95860      0.20285      7.98181        -0.096831      0.173895      0.305475
      4.52087      1.57031     12.03054        -0.569172     -0.244176      0.754701
      6.71950      6.62216      6.02133         0.361838      0.084115     -0.223437
      5.45545      5.92459     10.48565        -0.453231     -0.204921      1.501326
      5.83345      8.01489      9.98107         0.254791      0.332723      0.086553
      2.09864     16.46458      3.19484         0.092935     -0.008841      0.311167
      0.49454     14.96824     20.04159        -0.513632     -0.580619     -0.951923
      0.54329     17.30104     20.49508        -0.006652     -0.557131      0.577601
      1.81224     18.75415      3.55758         0.239338     -0.168961      0.503534
      0.25633     19.02695     20.78368         0.179529      0.094738      0.436110
      0.04446      0.16816     21.02162        -0.279534      0.268435     -0.551010
      2.55638      3.84365      6.94088         0.231278     -0.156137      1.294422
      2.35388      2.01620      5.90315        -0.091034     -0.163181     -0.193379
      0.77155      4.33165      2.67047        -0.777635      0.010470     -1.100961
      3.74649      7.52439      9.46244        -0.068603      0.171665      0.443974
      1.89329      8.22393      5.14834        -0.908887      0.771584     -1.337008
      2.50222     10.06703      6.24857        -0.026962      0.679000      0.085059
      3.27264     17.03287     21.11006         0.167229      0.096057     -0.575032
      6.03325     13.80553      2.34434         0.161160     -0.337574      0.428520
      6.06954     16.14391      2.98084        -0.266400     -0.149770     -0.300228
      3.40479     19.24756      0.47518        -0.065441      0.122563     -0.367409
      6.17806     17.99089      3.52270        -0.269971      0.334510     -0.194732
      6.39909     20.29415      4.27292         0.302577      0.052684      0.403903
      1.92720      5.44000      0.50606        -0.001267      0.138823      0.128392
      2.40105      3.36873      0.43070         0.490219      0.141722      0.680843
      4.80094      3.97289      3.92973         0.481907     -0.346095      0.538974
      1.57077     10.26568     21.12575        -0.463486     -0.028551      0.415204
      4.09140      8.70737      3.55251         1.630861     -0.214884      1.569979
      3.70109     10.88383      3.55052        -0.043398      0.061446     -0.148539
     20.45282     19.55593     14.67548         0.484142      0.018678      0.893282
     16.61117     17.82588     12.10769        -0.342199     -0.256244     -0.345420
     16.90640     20.23715     12.38623         0.246498     -0.319766      0.120146
     20.66438      0.30839     14.96711         0.425159     -0.223460      0.487388
     16.97108      0.84845     12.82423         0.197481      0.123126      0.227862
     17.00155      3.23456     13.36974        -0.757973      0.561252     -0.399119
      2.49620      6.69879     17.19767         2.526826     -0.385508      0.417476
      1.47994      4.71769     16.98998         0.035195     -0.760295      0.288607
     19.36653      7.09587     15.93946        -0.686747     -0.082288     -0.050512
      4.41533     10.04051     20.26099         0.407796      0.079063     -0.207638
      0.24368     10.66047     18.17523        -1.933510      0.572929     -0.331815
      1.31574     12.50854     18.69887        -0.847155      1.590481      0.238439
      0.72856     21.14372     13.42743        -0.399472      0.296612     -0.685160
      3.73376     17.78770     15.38979         0.224499     -0.422171      0.607397
      4.23804     20.16165     15.71160        -0.638455     -0.173760     -0.115652
      0.97757      1.80704     13.84494        -1.339758     -0.439035     -1.438352
      4.40455      0.87256     16.16324        -0.653485     -0.113474      0.630777
      4.75381      3.24766     16.66536        -0.135907     -0.011605      0.384135
     20.06677      8.91058     13.84038        -0.546780     -0.046121     -0.307335
     20.75937      6.79092     13.84418         0.347212      0.145866     -0.016679
      2.89143      8.13227     16.09672         1.005010     -0.147331     -0.451510
     18.37935     13.11269     13.37406        -0.878106      0.084879     -0.090790
      1.32695     12.52923     15.43000         0.693564     -0.021570     -0.332292
      0.64488     14.60759     15.31869        -0.196308      0.203642      0.086770
     17.81767      2.66347      7.07348         0.235685      0.011731      0.763638
     14.56828      0.87298      3.81719        -0.391270     -0.220325     -0.641698
     14.61733      3.27749      4.28465         0.337777     -0.202722      0.120720
     17.88372      4.71666      7.39665         0.347356     -0.200123      0.518260
     14.68439      5.18683      4.56432         0.304655      0.274401      0.315438
     14.67085      7.59532      4.98442        -0.449148      0.402595     -0.388570
     20.32029     10.85304     10.65768         0.541148     -0.221603      0.019428
     19.46441      9.07808      9.74622        -0.400012     -0.346010      0.121315
     16.76766     11.62007      7.63555        -0.773182      0.155722     -0.719294
      1.08849     14.35857     12.84403         0.720422      0.426034     -0.044700
     18.47004     15.17482     10.22071        -1.038572      0.193797      0.039557
     19.46238     16.97980     11.11482        -0.382238      0.754058     -0.170100
     19.36140      4.39631      5.30069        -0.241456      0.357890     -0.444046
     21.15985      0.68331      8.03861         0.291540     -0.449512      0.234049
      0.19483      2.99040      8.81531        -0.465426     -0.173992     -0.465430
     19.72378      6.17940      5.77630        -0.679334     -0.491038     -1.408340
      0.30283      4.93938      9.46491        -0.498190      0.275947      0.043276
      0.71438      7.27588     10.06456        -0.182123      0.140748     -0.224612
     18.52624     13.36271      4.93506        -0.572274      0.026207     -0.594784
     19.03008     11.22157      5.19329        -0.017526     -0.148775      0.153357
      0.11165     12.35546      8.60991         0.740140     -0.317301      0.473508
     17.07592     17.66774      4.23993        -0.347190      0.237162     -0.886128
     20.05666     16.80450      7.80253         0.797409     -0.108376      0.621503
     19.35168     18.87583      7.65639        -0.264771      0.262598      0.185673
     14.03603     19.29934     10.62368        -0.167602      0.186830      0.481878
     18.70821     20.95215      3.74399         0.401494      0.247673      0.015312
     12.48025      1.22996      2.69470         0.134778     -2.481557      1.109626
     13.42694     11.62767      4.43760         0.722355      2.252147      2.760137
      9.86195      2.64802      2.83451        -0.414392     -1.531596     -1.614869
     10.77282     12.65746      5.34651        -0.242023      1.187146     -0.465667
      9.60454      5.24449     15.90590         0.285511     -1.892351     -0.029552
     10.44887     15.64661     17.83458         0.521325      1.957867      1.715428
      7.12276      6.42820     15.50440        -0.483930     -1.134852     -1.101176
      7.70284     16.58387     18.36942        -0.187565      2.289554     -0.855428
      6.53663      8.97792      7.44433        -0.217261     -2.125044      0.702473
      7.38289     19.39880      9.04222         0.093611      1.379014      2.142489
      3.49421     10.19530      8.90573        -0.394410     -1.612689     -1.423470
      4.41904     20.50305     10.57274        -0.708565      0.452784     -3.528869
      2.26680     12.36937      1.60517        -0.398432     -0.876924     -0.124468
      1.33328      1.71307      3.40108         0.211297      1.521510      1.018573
      3.64059     12.78184     20.27709        -0.213590     -2.325390     -0.740041
      4.09657      1.89875      2.19740        -0.657838      1.583289     -0.745186
     19.52729     15.46636     14.12899         0.170222     -1.399776      0.933651
     20.12624      4.46353     15.87576         1.925746      0.707783      1.798869
      0.58377     17.01319     12.64426        -0.637509     -1.750978     -1.122571
      1.97869      5.83253     14.76048        -0.871297      0.354412     -0.915515
     17.43790     19.85454      5.86345         0.543910     -1.990975      0.223057
     17.47069      8.93868      7.84317         0.699138      0.977312      1.322910
     19.20568      0.36332      4.34029        -0.088767     -0.011093     -1.007021
     20.51839     10.08786      7.19882        -0.182035     -0.327744     -0.957931
     12.08822      2.35231      4.69143        -1.457580     -0.563137      9.566532
     12.93672      1.02748      0.46589         2.569956     -5.952542     -7.932235
     12.92974      9.95331      5.97637        -1.259322     -3.372696     11.553355
     13.70206     12.57113      2.36689         1.965275      8.545234     -5.807599
     10.12150      4.48934      1.45806         0.415096      3.312732     -8.724440
      9.40917      1.45174      4.83024         0.068078      0.772182     -0.784114
     10.94850     11.57228      3.29832         0.075176      0.431187     -4.852469
     10.32014     12.84425      7.60775        -0.705743      3.412621      4.491656
      9.41967      6.40215     17.87135        -1.026750     -0.282421      9.090677
      9.95610      5.01069     13.62265         1.473906     -2.388710     -2.487775
     10.03984     13.89499     19.34363        -0.731099     -2.168493      7.861733
     10.78651     16.62530     15.74507         0.931649      4.386476     -2.486490
      7.49512      8.27550     14.20277         0.899328      4.235536     -9.965161
      6.81989      5.25829     17.48454        -1.214887     -5.822779      3.058764
      8.15946     15.63008     16.31253         1.333228      1.272505     -8.303363
      7.13180     16.63028     20.58383        -1.483915      4.252998      6.477655
      6.39299     10.15812      9.41781        -0.835623     -0.165198      7.719349
      7.02957      8.65719      5.21491         0.363650     -1.789572     -1.832034
      6.81444     17.71350     10.53194        -1.367062     -1.706493      7.058557
      8.06499     20.28568      7.05899         1.362153      4.334831     -2.738110
      3.08640     11.97394      7.48077        -1.512022      1.735761     -5.407895
      4.04993      9.14452     10.87765         0.868603     -6.228798      3.707834
      4.25757     19.28104      8.55604        -0.068035      0.375290     -2.088537
      4.63343     20.74936     13.12937        -0.797440     -3.709347     -6.042497
      2.94459     13.41124      3.56919         4.273399     -0.958922      8.872212
      0.81082     12.27807     21.03643        -2.873118     -2.863862     -2.744610
      2.10904      0.13960      4.92827         2.788651     -1.301661      6.153902
      0.47768      2.52189      1.43382        -1.634447      3.769452     -2.632094
      2.60197     14.49925     19.26123        -8.064249      4.765299    -11.221363
      4.96485     11.69912      0.57486         3.135789     -6.420213      2.503729
      2.91100      1.02898      0.41551        -4.737191      1.691040     -6.618579
      5.64834      1.84789      3.88529         1.715096      1.734551      2.028891
     -0.07877     16.70922     15.21631         2.287354     -0.168593      2.745102
     17.60987     15.10599     12.90696        -6.772756     -6.246040     -3.321184
      0.35522      2.77214     16.38785         8.555037     -3.146438      6.266331
     18.41224      5.45633     14.71636        -1.201029      2.282141     -0.458976
     20.77389     18.92931     11.87751        -4.973270      2.997632     -5.153801
      2.14313     15.77326     13.94815         3.720952     -8.267160      2.037739
      0.31446      4.70009     13.58538        -7.728283      0.574391     -5.304941
      3.89155      5.95364     16.22894        -3.501524     -2.546887     -3.391262
     18.43132     21.03397      7.58661         5.731579     -0.356717      8.241635
     15.89346     19.53311      4.18549        -2.855757     -4.221442     -4.438569
     18.54726      7.18775      8.94884         2.126773     -1.082763      3.666291
     15.87394      9.87994      6.51093        -2.464185      4.324387     -1.635697
     18.32497      2.28351      3.45275        -2.002375      1.910894     -2.708277
     20.32003     20.19562      5.65799         4.064925    -11.436321      2.454915
     19.43118      9.09551      5.34314        -1.023920      0.438162     -1.429829
      0.55180     10.07526      9.28837        -2.952383     -2.882879     -5.688776
     13.55900     17.67847      5.37364         1.165168     -1.029571     -0.722693
     15.57008     16.90143      5.55921        -0.376056     -0.647771     -0.125958
     14.45688     16.50490      3.73185         0.156293     -0.036592      0.297415
     11.94806     15.10851     11.24221         0.367790      0.680031     -0.256159
     11.46138     14.58159      9.21743         0.428208     -0.022758      0.390477
     13.44294     13.98200     10.18717        -0.128495     -0.323595      0.089111
     11.95751     18.30442      7.19596        -0.334023     -0.808846     -0.148800
     10.03142     18.40800      6.26959         0.161125     -0.239291      0.230058
     10.44678     16.89355      7.83505         0.200361      0.103317     -0.817672
     12.89151     18.15167      0.14948         0.594805      0.778084      0.055541
     13.82292     16.76377      1.55281         0.425955      0.224985     -0.221002
     11.78440     16.58654      0.96631        -0.954399     -0.480006      0.315611
      9.98932      0.39856     18.72873         1.608753     -0.944494     -0.618487
     12.12705     -0.01434     18.77170        -0.204969     -0.753083     -0.048326
     11.00235     20.70062     16.99281         0.700671     -0.110561      1.380413
      9.25795     19.12742      3.54852        -0.066960      0.212159     -0.800265
      8.28152     18.50404      1.68076        -0.004368      0.262258      0.102839
     10.37020     18.11481      2.00499        -0.061033     -1.165263      0.482572
      8.23777      0.85015     20.50316        -0.872321     -0.763064     -0.726172
      6.57777      1.23980     19.16811        -0.499436     -0.652694      0.063081
      6.44455     20.89868     20.69380         0.369844      0.007792     -0.706625
      9.10454      0.89861     13.35759        -0.013508     -0.276796      1.135031
     10.40928     20.99914     14.60471        -0.425820      0.611416      0.439263
      8.30114     20.38715     14.51429         1.205179      2.016945     -0.459989
      7.49015      4.11666      9.90864         1.484846     -0.928510     -0.108492
      9.48551      3.50884     10.45566         0.263861     -0.836640     -0.327049
      8.65808      2.96991      8.48933         0.374413     -0.440771      0.912812
      6.27055      1.59620     16.08147        -0.879451      0.883524      0.133643
      5.02240      1.52769     14.12558         0.729458      0.179327      0.035100
      6.84331      0.66551     14.42882        11.140603    -21.378539     -5.016656
      5.81390      4.95827     11.88654        -0.643913     -0.127557     -0.243039
      3.72291      5.11001     11.67753        -0.088281     -1.401062      0.762281
      4.58148      3.55511     12.97673        -0.486182      0.480726     -1.582339
      6.81795      4.40124      5.10683         0.558872     -0.206685      0.853965
      7.12246      2.97077      6.70681        -0.374234      0.329288     -0.377263
      5.11910      3.33979      5.92660         0.091120      0.724840      0.293357
      0.00792      7.42471      4.56900         0.320138     -0.764328     -0.952172
      1.86353      7.61745      3.46960        -2.008235     -0.794697      0.231479
      0.15580      6.49819      2.58758         0.303248      0.094977      0.945592
      3.52997      5.41526      9.60872         0.849266      0.183076      2.453012
      2.03269      4.40097      8.57136         0.485372      0.333838      0.296435
      3.96368      4.51376      7.58579        -0.535012      0.741754      1.388607
      5.68319      7.32079      3.51682         0.006501     -0.852551      0.325358
      3.86942      7.46461      4.75167         1.504228     -1.240361     -0.726142
      5.13511      5.77683      5.04910        -0.458921      0.472280     -0.107137
      1.18832      8.13859     20.07937        -0.504576     -0.376403      1.855451
      2.82084      6.98790     -0.30534         0.323574     -2.201541     -0.151850
      0.67295      6.75546      0.29486         0.788047      0.870140      0.350000
     19.79390      9.64732     18.59841        -0.866653     -0.671305     -0.598100
     20.47445     10.50266     16.72897        -0.832574     -0.710301      0.571583
     18.81856      9.15510     16.64588        -2.090107     -0.368409      0.236109
      4.71294      7.76634     19.96347        -0.032005      0.637568     -0.256034
      3.16307      6.66757     19.06639        -1.015437     -2.739770     -2.341972
      4.49689      7.74503     17.77352        -0.646017      0.461572      0.338316
      3.11872     11.55081     15.07504        -0.438797     -0.354538     -0.032043
      1.81091     11.60426     16.81529         0.014956      0.608929     -0.872625
      3.48518     10.27508     16.78733         0.073246     -0.104871     -0.982589
     17.59170     11.06589     13.02167        -0.287457      0.186762      0.483633
     19.08426      9.67304     12.49077         0.398440     -0.256126     -0.105367
     18.30230      9.61976     14.50568        -0.768442     -0.408680      0.284576
     16.69950     14.40510      9.84773        -0.520816     -0.300048      0.017631
     18.23301     14.88132      8.36923        -1.197818     -0.797528      0.426790
     16.42079     13.83845      7.74103         0.387404     -0.306160      0.539563
      1.36918     12.20710     12.85592        -0.243806      0.312940     -1.204673
     20.76305     11.28257     12.23679         0.551672     -1.263452     -0.074126
      1.01655     11.79748     10.74536         0.034375      0.273791      0.426255
      0.71488     15.92967      7.55177        -0.035901     -0.887113      0.015634
     20.45003     15.78557      9.10949         1.212828     -0.737373     -1.074423
      0.90973     14.46637      9.20319        -0.231899      0.036647     -0.972427
     17.06468     15.71065      3.05720         0.088342      0.713251      0.250405
     18.83052     14.57568      3.45953         0.019218     -0.081410      0.023777
     16.90400     14.24095      4.60113         0.178110      0.028694      0.060172
 -----------------------------------------------------------------------------------
    total drift:                               -0.001626      0.017808     -0.017098


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4498.2672673658 eV

  energy  without entropy=    -4498.4158198114  energy(sigma->0) =    -4498.31678485
 
 d Force =-0.1986095E+01[-0.529E+02, 0.490E+02]  d Energy =-0.3097185E+01 0.111E+01
 d Force = 0.3397054E+04[ 0.303E+04, 0.377E+04]  d Ewald  = 0.3391615E+04 0.544E+01


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:    3.097185  1 .order    1.986095  -48.954171   52.926360
  (g-gl).g = 0.741E+02      g.g   = 0.843E+02  gl.gl    = 0.109E+03
 g(Force)  = 0.843E+02   g(Stress)= 0.000E+00 ortho     = 0.252E+01
 gamma     =   0.68229
 trial     =   0.56908
 opt step  =   0.26419  (harmonic =   0.27345) maximal distance =0.10460591
 next E    = -4512.616305   (d E  = -11.25185)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   15(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3200
 total energy-change (2. order) :-0.3696534E+01  (-0.3573913E+03)
 number of electron    2498.0000093 magnetization 
 augmentation part      163.9963322 magnetization 

  free energy =  -0.450196379144E+04  energy without entropy=  -0.450211101431E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   15(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3664
 total energy-change (2. order) :-0.1083652E+02  (-0.1295489E+02)
 number of electron    2498.0000093 magnetization 
 augmentation part      164.2152262 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7376
  0.7376

  free energy =  -0.451280031077E+04  energy without entropy=  -0.451294873900E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   15(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3736
 total energy-change (2. order) : 0.6603921E+00  (-0.2830959E+00)
 number of electron    2498.0000093 magnetization 
 augmentation part      163.8943757 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2746
  1.2746  1.2746

  free energy =  -0.451213991870E+04  energy without entropy=  -0.451229432050E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   15(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3672
 total energy-change (2. order) : 0.1920247E+00  (-0.1707000E+00)
 number of electron    2498.0000093 magnetization 
 augmentation part      163.7054452 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2607
  2.0099  0.9846  0.7876

  free energy =  -0.451194789401E+04  energy without entropy=  -0.451210373897E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   15(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3656
 total energy-change (2. order) :-0.2129839E-01  (-0.4833072E-01)
 number of electron    2498.0000093 magnetization 
 augmentation part      163.7574584 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2749
  2.2316  0.9553  0.9563  0.9563

  free energy =  -0.451196919240E+04  energy without entropy=  -0.451213180145E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   15(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) : 0.9289663E-02  (-0.1377569E-01)
 number of electron    2498.0000093 magnetization 
 augmentation part      163.7605282 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2711
  2.3724  1.1072  1.1072  0.8845  0.8845

  free energy =  -0.451195990274E+04  energy without entropy=  -0.451211996409E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   15(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3608
 total energy-change (2. order) : 0.1568511E-03  (-0.4007876E-02)
 number of electron    2498.0000093 magnetization 
 augmentation part      163.7778250 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2270
  2.4387  1.1853  1.1853  0.9300  0.9300  0.6926

  free energy =  -0.451195974588E+04  energy without entropy=  -0.451212608399E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   15(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) : 0.1028482E-02  (-0.6664220E-03)
 number of electron    2498.0000093 magnetization 
 augmentation part      163.7847203 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2260
  2.4233  1.3362  1.1479  1.1479  1.0022  0.9264  0.5983

  free energy =  -0.451195871740E+04  energy without entropy=  -0.451212282386E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   15(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) : 0.1643947E-04  (-0.6016957E-03)
 number of electron    2498.0000093 magnetization 
 augmentation part      163.7815855 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1927
  2.4505  1.5873  1.1534  0.9985  0.9985  0.8864  0.8864  0.5804

  free energy =  -0.451195870096E+04  energy without entropy=  -0.451212454013E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   15(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3728
 total energy-change (2. order) :-0.1747887E-03  (-0.1478454E-03)
 number of electron    2498.0000093 magnetization 
 augmentation part      163.7776244 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2141
  2.5641  1.7498  1.0939  1.0939  1.2764  0.8745  0.8745  0.8299  0.5700

  free energy =  -0.451195887575E+04  energy without entropy=  -0.451212504842E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   15(  11)  ---------------------------------------



 eigenvalue-minimisations  :  3768
 total energy-change (2. order) :-0.1336175E-03  (-0.8097513E-04)
 number of electron    2498.0000093 magnetization 
 augmentation part      163.7795712 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2565
  2.6553  2.0375  1.5670  1.0528  1.0528  0.9006  0.9006  0.9475  0.8733  0.5773

  free energy =  -0.451195900937E+04  energy without entropy=  -0.451212550919E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   15(  12)  ---------------------------------------



 eigenvalue-minimisations  :  4320
 total energy-change (2. order) :-0.2192221E-03  (-0.2473758E-04)
 number of electron    2498.0000093 magnetization 
 augmentation part      163.7795835 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3140
  2.9830  2.4885  1.5283  1.0454  1.0454  1.3046  0.8576  0.8576  0.8820  0.8820
  0.5794

  free energy =  -0.451195922859E+04  energy without entropy=  -0.451212627823E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   15(  13)  ---------------------------------------



 eigenvalue-minimisations  :  3752
 total energy-change (2. order) :-0.1710162E-03  (-0.3421456E-04)
 number of electron    2498.0000093 magnetization 
 augmentation part      163.7795128 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3033
  3.2065  2.5382  1.4875  1.4875  1.0516  1.0516  0.8768  0.8768  0.8366  0.8366
  0.8092  0.5804

  free energy =  -0.451195939961E+04  energy without entropy=  -0.451212672435E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   15(  14)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) :-0.1044367E-03  (-0.2878508E-04)
 number of electron    2498.0000093 magnetization 
 augmentation part      163.7793021 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2634
  3.4438  2.5421  1.4928  1.4928  1.0434  1.0434  0.8495  0.8495  0.8607  0.8074
  0.8074  0.5858  0.6054

  free energy =  -0.451195950404E+04  energy without entropy=  -0.451212691372E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   15(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2488
 total energy-change (2. order) :-0.3226902E-04  (-0.1363201E-05)
 number of electron    2498.0000093 magnetization 
 augmentation part      163.7793672 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3923
  4.2424  2.6236  1.8035  1.6347  1.0376  1.0376  1.0709  1.0709  0.9181  0.9181
  0.8857  0.8857  0.5802  0.7835

  free energy =  -0.451195953631E+04  energy without entropy=  -0.451212698831E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   15(  16)  ---------------------------------------



 eigenvalue-minimisations  :  2448
 total energy-change (2. order) :-0.7703176E-04  (-0.1305891E-05)
 number of electron    2498.0000093 magnetization 
 augmentation part      163.7792502 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4171
  4.8227  2.5718  2.2250  1.4968  1.0484  1.0484  0.9827  0.9827  1.0866  1.0866
  0.8647  0.8647  0.5801  0.8403  0.7541

  free energy =  -0.451195961335E+04  energy without entropy=  -0.451212711145E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   15(  17)  ---------------------------------------



 eigenvalue-minimisations  :  2392
 total energy-change (2. order) :-0.2995384E-04  (-0.9139033E-06)
 number of electron    2498.0000093 magnetization 
 augmentation part      163.7792673 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3907
  4.9717  2.5654  2.1958  1.3901  1.3901  1.0606  1.0606  0.9725  0.9725  0.8891
  0.8891  0.9824  0.5799  0.7957  0.7957  0.7396

  free energy =  -0.451195964330E+04  energy without entropy=  -0.451212716792E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   15(  18)  ---------------------------------------



 eigenvalue-minimisations  :  2280
 total energy-change (2. order) :-0.1336524E-04  (-0.3598152E-06)
 number of electron    2498.0000093 magnetization 
 augmentation part      163.7792640 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4382
  5.1807  2.5700  2.4841  1.5414  1.5414  1.0801  1.0801  1.0251  1.0251  1.0162
  1.0162  0.8696  0.8696  0.9152  0.9152  0.5800  0.7385

  free energy =  -0.451195965666E+04  energy without entropy=  -0.451212718366E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   15(  19)  ---------------------------------------



 eigenvalue-minimisations  :  2296
 total energy-change (2. order) :-0.1612553E-04  (-0.1308046E-06)
 number of electron    2498.0000093 magnetization 
 augmentation part      163.7792807 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4802
  5.4634  2.9678  2.4605  2.0277  1.5840  1.0555  1.0555  1.0483  1.0483  0.9564
  0.9564  1.0984  1.0198  0.8553  0.8553  0.5800  0.8799  0.7311

  free energy =  -0.451195967279E+04  energy without entropy=  -0.451212720138E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   15(  20)  ---------------------------------------



 eigenvalue-minimisations  :  2288
 total energy-change (2. order) :-0.1295895E-04  (-0.1085516E-06)
 number of electron    2498.0000093 magnetization 
 augmentation part      163.7793086 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5023
  5.6666  3.3321  2.5628  2.0695  1.4424  1.0588  1.0588  1.1952  1.1952  0.9845
  0.9845  1.0859  1.0859  0.8727  0.8727  0.5800  0.8802  0.8802  0.7364

  free energy =  -0.451195968575E+04  energy without entropy=  -0.451212721484E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   15(  21)  ---------------------------------------



 eigenvalue-minimisations  :  2256
 total energy-change (2. order) :-0.5966023E-05  (-0.5355797E-07)
 number of electron    2498.0000093 magnetization 
 augmentation part      163.7793086 magnetization 

  free energy =  -0.451195969171E+04  energy without entropy=  -0.451212722073E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.7768       2 -55.9755       3 -55.8536       4 -55.6630       5 -55.6758
       6 -56.1598       7 -58.0171       8 -58.2761       9 -56.1404      10 -55.8111
      11 -55.8327      12 -55.6538      13 -55.6021      14 -55.7626      15 -58.1324
      16 -58.0816      17 -56.3557      18 -55.0180      19 -54.7055      20 -55.2683
      21 -55.7006      22 -55.5944      23 -55.5643      24 -55.6222      25 -55.0746
      26 -54.6164      27 -54.8799      28 -54.9772      29 -60.4561      30 -60.5014
      31 -55.5124      32 -55.7015      33 -55.5767      34 -55.1527      35 -55.3966
      36 -55.8868      37 -57.8565      38 -58.1246      39 -55.9388      40 -55.5550
      41 -55.7980      42 -55.5966      43 -55.6374      44 -55.7204      45 -58.1164
      46 -58.1546      47 -56.5692      48 -55.2129      49 -54.8788      50 -55.3955
      51 -55.9665      52 -55.7855      53 -55.6453      54 -55.9536      55 -55.2278
      56 -54.7028      57 -54.9840      58 -56.4403      59 -60.5394      60 -60.6700
      61 -55.7823      62 -55.9176      63 -55.8542      64 -55.6583      65 -55.7319
      66 -56.1049      67 -57.8968      68 -58.3140      69 -56.1176      70 -55.8018
      71 -55.9009      72 -55.6236      73 -55.5379      74 -55.7895      75 -58.1848
      76 -58.2153      77 -56.5335      78 -55.1095      79 -54.7372      80 -55.4445
      81 -55.8715      82 -55.8038      83 -55.7052      84 -55.8136      85 -55.1638
      86 -54.8692      87 -55.0835      88 -56.5000      89 -60.7316      90 -60.6639
      91 -55.4866      92 -55.6284      93 -55.4953      94 -55.2351      95 -55.2995
      96 -55.8258      97 -57.8576      98 -57.9644      99 -55.9279     100 -55.6414
     101 -55.7654     102 -55.4180     103 -55.4081     104 -55.6341     105 -58.0494
     106 -58.2230     107 -56.5277     108 -55.0794     109 -54.9474     110 -55.3342
     111 -55.9081     112 -55.7531     113 -55.7941     114 -55.9104     115 -55.3826
     116 -54.9446     117 -55.1365     118 -56.5314     119 -60.5962     120 -60.5380
     121 -55.6749     122 -55.7500     123 -55.6468     124 -55.5833     125 -55.6126
     126 -55.9949     127 -57.8717     128 -58.0932     129 -55.9265     130 -55.5791
     131 -55.6706     132 -55.4775     133 -55.3897     134 -55.5684     135 -57.8374
     136 -58.0458     137 -56.4573     138 -55.0565     139 -54.6719     140 -55.3066
     141 -55.8213     142 -55.8205     143 -55.6306     144 -55.5790     145 -55.1495
     146 -54.8481     147 -55.1246     148 -56.2830     149 -60.5074     150 -60.6361
     151 -55.4174     152 -55.5026     153 -55.3970     154 -55.2500     155 -55.3198
     156 -55.7469     157 -57.7632     158 -57.8397     159 -55.8558     160 -55.4934
     161 -55.7272     162 -55.4504     163 -55.4642     164 -55.6570     165 -57.8999
     166 -58.2330     167 -56.7090     168 -55.3267     169 -54.8645     170 -55.5379
     171 -55.9624     172 -55.9201     173 -55.8003     174 -55.7250     175 -55.0648
     176 -54.6011     177 -54.9116     178 -56.2572     179 -60.4675     180 -60.6286
     181 -55.7893     182 -55.9424     183 -55.7594     184 -55.4995     185 -55.5573
     186 -56.1190     187 -57.8707     188 -58.2723     189 -56.0833     190 -55.6835
     191 -55.7873     192 -55.6217     193 -55.5224     194 -55.6909     195 -57.9166
     196 -58.1966     197 -56.3918     198 -54.9280     199 -54.6301     200 -55.1928
     201 -55.8126     202 -55.6991     203 -55.6053     204 -55.6623     205 -55.1401
     206 -54.8045     207 -55.0007     208 -56.3680     209 -60.7393     210 -60.4916
     211 -55.8596     212 -56.0196     213 -55.7557     214 -55.6745     215 -55.6301
     216 -56.1422     217 -58.1513     218 -58.3237     219 -56.0640     220 -55.6838
     221 -55.7798     222 -55.5372     223 -55.4183     224 -55.6525     225 -57.8266
     226 -58.1812     227 -56.4468     228 -55.0330     229 -54.8752     230 -55.1731
     231 -55.7378     232 -55.8719     233 -55.7592     234 -55.5417     235 -55.1590
     236 -54.7328     237 -55.0442     238 -56.4414     239 -60.2967     240 -60.4422
     241 -55.8041     242 -55.8063     243 -55.6658     244 -55.6169     245 -55.6396
     246 -56.0072     247 -58.1754     248 -58.0695     249 -56.1018     250 -55.7806
     251 -55.8716     252 -55.6687     253 -55.6322     254 -55.7738     255 -58.0307
     256 -58.1357     257 -56.6983     258 -55.3444     259 -55.1222     260 -55.5795
     261 -55.8808     262 -56.0933     263 -55.8303     264 -55.8078     265 -55.3725
     266 -54.7757     267 -55.3930     268 -56.4030     269 -60.4571     270 -60.6104
     271 -55.6970     272 -55.6936     273 -55.5083     274 -55.5634     275 -55.5190
     276 -55.8816     277 -58.3437     278 -57.8838     279 -55.6489     280 -55.3948
     281 -55.5648     282 -55.2350     283 -55.2132     284 -55.5028     285 -58.0170
     286 -58.1171     287 -56.7516     288 -55.4309     289 -54.9739     290 -55.7971
     291 -55.9005     292 -55.8652     293 -55.7023     294 -55.9793     295 -55.1923
     296 -54.7479     297 -54.9253     298 -56.4505     299 -60.5967     300 -60.7192
     301 -55.6507     302 -55.7730     303 -55.6646     304 -55.4579     305 -55.5052
     306 -55.9517     307 -57.9490     308 -58.1526     309 -56.0076     310 -55.6564
     311 -55.7835     312 -55.5666     313 -55.5275     314 -55.7076     315 -57.9536
     316 -58.0580     317 -56.4628     318 -55.0194     319 -54.7176     320 -55.2510
     321 -55.7595     322 -55.7524     323 -55.6862     324 -55.8041     325 -55.1185
     326 -54.9831     327 -55.0929     328 -56.4420     329 -60.5815     330 -60.4218
     331 -55.5491     332 -55.6234     333 -55.4573     334 -55.3950     335 -55.4018
     336 -55.7988     337 -57.8619     338 -57.8743     339 -55.6605     340 -55.3210
     341 -55.4812     342 -55.2817     343 -55.3073     344 -55.4546     345 -57.7401
     346 -57.9449     347 -56.3951     348 -54.9500     349 -54.6799     350 -55.3240
     351 -55.7384     352 -55.6307     353 -55.5125     354 -55.5521     355 -55.0314
     356 -54.4860     357 -54.8187     358 -56.2443     359 -60.3410     360 -60.4944
     361 -38.9139     362 -38.7399     363 -38.7541     364 -38.9522     365 -38.7333
     366 -38.6411     367 -38.4757     368 -38.3431     369 -38.3950     370 -38.3313
     371 -38.4639     372 -38.2108     373 -38.7797     374 -38.3164     375 -38.4857
     376 -38.8371     377 -38.6758     378 -38.7206     379 -38.4378     380 -38.2402
     381 -38.3763     382 -38.1989     383 -38.3699     384 -38.1012     385 -38.8951
     386 -38.6668     387 -38.6931     388 -38.8222     389 -38.6571     390 -38.5098
     391 -38.5552     392 -38.2829     393 -38.6501     394 -38.3758     395 -38.4955
     396 -38.3708     397 -38.6633     398 -38.2277     399 -38.3945     400 -38.7882
     401 -38.4032     402 -38.7052     403 -38.1630     404 -38.1275     405 -38.2929
     406 -38.4033     407 -38.1897     408 -38.0181     409 -38.6752     410 -38.6374
     411 -38.7110     412 -38.6359     413 -38.6061     414 -38.4526     415 -38.2504
     416 -38.5215     417 -38.3248     418 -38.4634     419 -38.5746     420 -38.3496
     421 -38.4456     422 -38.2075     423 -38.3335     424 -38.7788     425 -38.5314
     426 -38.6673     427 -38.3532     428 -38.2567     429 -38.5036     430 -38.1204
     431 -38.3772     432 -37.8828     433 -38.6804     434 -38.4457     435 -38.6446
     436 -38.7159     437 -38.6857     438 -38.5551     439 -38.6473     440 -38.1749
     441 -38.3180     442 -38.3978     443 -38.4225     444 -38.0244     445 -38.7511
     446 -38.7559     447 -38.6267     448 -38.6489     449 -38.5052     450 -38.2949
     451 -38.1134     452 -37.9728     453 -38.1789     454 -38.2616     455 -38.2118
     456 -37.8643     457 -38.8597     458 -38.6648     459 -38.7032     460 -38.9399
     461 -38.7507     462 -38.7232     463 -38.9272     464 -38.6702     465 -38.4584
     466 -38.3079     467 -38.3162     468 -38.3874     469 -38.7723     470 -38.8012
     471 -38.4596     472 -38.8001     473 -38.3706     474 -38.2970     475 -38.6767
     476 -38.3470     477 -38.8077     478 -38.2262     479 -38.5087     480 -38.0851
     481 -38.7864     482 -38.6213     483 -38.5807     484 -38.7684     485 -38.5889
     486 -38.6117     487 -38.2998     488 -38.3307     489 -38.2861     490 -38.4889
     491 -38.5364     492 -38.4019     493 -38.7182     494 -38.3598     495 -38.3987
     496 -38.7979     497 -38.3660     498 -38.2943     499 -38.3118     500 -37.9808
     501 -38.3121     502 -38.1231     503 -38.1879     504 -37.8803     505 -38.3502
     506 -40.9397     507 -71.6329     508 -71.4290     509 -71.5663     510 -71.6944
     511 -71.7251     512 -71.5319     513 -71.3938     514 -71.6985     515 -71.5813
     516 -71.5465     517 -71.3134     518 -71.9933     519 -71.4795     520 -71.6265
     521 -71.5772     522 -71.5616     523 -71.5822     524 -71.6931     525 -71.3082
     526 -71.7167     527 -71.5196     528 -71.5974     529 -71.1409     530 -71.5326
     531 -76.9929     532 -76.7899     533 -76.8587     534 -77.0251     535 -76.8636
     536 -76.5252     537 -76.7191     538 -76.9480     539 -77.1420     540 -76.5826
     541 -76.9160     542 -76.9982     543 -76.7011     544 -76.6634     545 -76.8813
     546 -76.8548     547 -76.8649     548 -76.5869     549 -76.9240     550 -76.5455
     551 -76.5979     552 -76.5523     553 -76.9006     554 -75.9774     555 -77.0847
     556 -76.6658     557 -77.0169     558 -76.6745     559 -77.1200     560 -76.9331
     561 -76.9666     562 -76.4913     563 -76.5717     564 -76.9844     565 -77.0371
     566 -76.7278     567 -76.5530     568 -77.3318     569 -76.8725     570 -76.6368
     571 -76.9602     572 -76.7147     573 -76.7894     574 -76.6795     575 -76.5695
     576 -76.6319     577 -76.6103     578 -76.2349     579 -82.4200     580 -82.5235
     581 -82.4614     582 -82.1818     583 -82.3866     584 -82.4706     585 -82.5599
     586 -82.5747     587 -82.3227     588 -82.2336     589 -82.2404     590 -82.2872
     591 -82.7449     592 -82.3398     593 -82.5257     594 -82.5032     595 -82.6564
     596 -83.0977     597 -82.5232     598 -82.4192     599 -82.1908     600 -82.8059
     601 -82.3680     602 -81.1686     603 -82.8408     604 -82.5383     605 -82.6218
     606 -82.3011     607 -82.4385     608 -83.3528     609 -82.8920     610 -82.2108
     611 -82.2314     612 -82.0668     613 -82.1741     614 -82.4398     615 -82.4317
     616 -82.5411     617 -82.3508     618 -83.4107     619 -82.6068     620 -82.6317
     621 -82.3246     622 -82.3418     623 -82.5525     624 -82.3679     625 -82.7064
     626 -81.9758     627 -82.2463     628 -82.6474     629 -82.7885     630 -82.2631
     631 -82.1237     632 -82.3202     633 -82.2914     634 -83.1263     635 -82.4520
     636 -82.2155     637 -82.4265     638 -82.5130     639 -82.4358     640 -82.2861
     641 -82.2178     642 -82.4213     643 -82.9906     644 -82.4238     645 -82.3234
     646 -82.5074     647 -82.2967     648 -82.0558     649 -82.2978     650 -82.3135
 
 
 
 E-fermi :  -1.2906     XC(G=0):  -6.3269     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -30.1749      2.00000
      2     -29.9100      2.00000
      3     -29.4255      2.00000
      4     -29.3664      2.00000
      5     -29.3368      2.00000
      6     -29.2581      2.00000
      7     -29.2544      2.00000
      8     -29.2083      2.00000
      9     -29.1914      2.00000
     10     -29.0385      2.00000
     11     -29.0371      2.00000
     12     -28.9806      2.00000
     13     -28.9745      2.00000
     14     -28.8826      2.00000
     15     -28.8550      2.00000
     16     -28.8385      2.00000
     17     -28.8159      2.00000
     18     -28.7471      2.00000
     19     -28.7179      2.00000
     20     -28.7090      2.00000
     21     -28.6933      2.00000
     22     -28.6353      2.00000
     23     -28.6049      2.00000
     24     -28.5707      2.00000
     25     -27.4541      2.00000
     26     -27.1993      2.00000
     27     -27.0575      2.00000
     28     -27.0300      2.00000
     29     -27.0153      2.00000
     30     -26.9848      2.00000
     31     -26.9320      2.00000
     32     -26.8198      2.00000
     33     -26.8018      2.00000
     34     -26.7179      2.00000
     35     -26.6809      2.00000
     36     -26.6804      2.00000
     37     -26.6485      2.00000
     38     -26.6469      2.00000
     39     -26.6314      2.00000
     40     -26.6262      2.00000
     41     -26.5860      2.00000
     42     -26.5610      2.00000
     43     -26.5236      2.00000
     44     -26.5094      2.00000
     45     -26.5059      2.00000
     46     -26.4886      2.00000
     47     -26.4730      2.00000
     48     -26.4588      2.00000
     49     -26.4503      2.00000
     50     -26.4425      2.00000
     51     -26.4326      2.00000
     52     -26.4111      2.00000
     53     -26.3870      2.00000
     54     -26.3408      2.00000
     55     -26.3367      2.00000
     56     -26.3362      2.00000
     57     -26.3360      2.00000
     58     -26.3274      2.00000
     59     -26.3056      2.00000
     60     -26.2843      2.00000
     61     -26.2772      2.00000
     62     -26.2350      2.00000
     63     -26.2103      2.00000
     64     -26.2047      2.00000
     65     -26.2028      2.00000
     66     -26.1574      2.00000
     67     -26.1199      2.00000
     68     -26.0937      2.00000
     69     -26.0759      2.00000
     70     -26.0345      2.00000
     71     -25.8782      2.00000
     72     -24.9537      2.00000
     73     -23.8232      2.00000
     74     -23.7950      2.00000
     75     -23.7442      2.00000
     76     -23.6740      2.00000
     77     -23.6727      2.00000
     78     -23.6660      2.00000
     79     -23.6652      2.00000
     80     -23.6540      2.00000
     81     -23.5878      2.00000
     82     -23.5776      2.00000
     83     -23.5764      2.00000
     84     -23.5188      2.00000
     85     -23.4647      2.00000
     86     -23.4646      2.00000
     87     -23.4554      2.00000
     88     -23.4249      2.00000
     89     -23.3858      2.00000
     90     -23.3776      2.00000
     91     -23.3365      2.00000
     92     -23.2766      2.00000
     93     -23.2655      2.00000
     94     -23.2620      2.00000
     95     -23.2590      2.00000
     96     -23.2589      2.00000
     97     -23.2466      2.00000
     98     -23.2073      2.00000
     99     -23.1507      2.00000
    100     -23.0871      2.00000
    101     -23.0703      2.00000
    102     -23.0425      2.00000
    103     -23.0328      2.00000
    104     -23.0047      2.00000
    105     -22.9977      2.00000
    106     -22.9817      2.00000
    107     -22.9735      2.00000
    108     -22.9582      2.00000
    109     -22.9508      2.00000
    110     -22.9300      2.00000
    111     -22.9052      2.00000
    112     -22.9017      2.00000
    113     -22.8594      2.00000
    114     -22.7985      2.00000
    115     -22.7845      2.00000
    116     -22.7542      2.00000
    117     -22.6863      2.00000
    118     -22.5549      2.00000
    119     -22.2091      2.00000
    120     -21.7643      2.00000
    121     -20.6528      2.00000
    122     -20.6415      2.00000
    123     -20.6329      2.00000
    124     -20.5980      2.00000
    125     -20.5955      2.00000
    126     -20.5944      2.00000
    127     -20.5303      2.00000
    128     -20.4923      2.00000
    129     -20.4782      2.00000
    130     -20.4758      2.00000
    131     -20.4659      2.00000
    132     -20.4262      2.00000
    133     -20.3854      2.00000
    134     -20.3343      2.00000
    135     -20.3194      2.00000
    136     -20.3144      2.00000
    137     -20.2705      2.00000
    138     -20.2303      2.00000
    139     -20.1986      2.00000
    140     -20.1978      2.00000
    141     -20.1953      2.00000
    142     -20.1840      2.00000
    143     -20.1346      2.00000
    144     -20.0282      2.00000
    145     -18.6784      2.00000
    146     -18.6174      2.00000
    147     -18.6063      2.00000
    148     -18.5696      2.00000
    149     -18.5404      2.00000
    150     -18.4869      2.00000
    151     -18.4808      2.00000
    152     -18.4709      2.00000
    153     -18.4512      2.00000
    154     -18.4446      2.00000
    155     -18.3988      2.00000
    156     -18.3904      2.00000
    157     -18.3590      2.00000
    158     -18.3418      2.00000
    159     -18.3338      2.00000
    160     -18.3044      2.00000
    161     -18.2856      2.00000
    162     -18.2618      2.00000
    163     -18.2553      2.00000
    164     -18.2402      2.00000
    165     -18.2289      2.00000
    166     -18.2108      2.00000
    167     -18.1962      2.00000
    168     -18.1792      2.00000
    169     -18.1424      2.00000
    170     -18.1304      2.00000
    171     -18.1135      2.00000
    172     -18.1012      2.00000
    173     -18.0725      2.00000
    174     -18.0456      2.00000
    175     -17.9737      2.00000
    176     -17.9642      2.00000
    177     -17.9362      2.00000
    178     -17.8959      2.00000
    179     -17.8780      2.00000
    180     -17.8157      2.00000
    181     -17.8092      2.00000
    182     -17.7759      2.00000
    183     -17.7440      2.00000
    184     -17.7415      2.00000
    185     -17.7260      2.00000
    186     -17.7126      2.00000
    187     -17.6798      2.00000
    188     -17.6716      2.00000
    189     -17.6542      2.00000
    190     -17.6178      2.00000
    191     -17.6169      2.00000
    192     -17.5544      2.00000
    193     -16.7589      2.00000
    194     -16.7524      2.00000
    195     -16.7040      2.00000
    196     -16.6920      2.00000
    197     -16.6475      2.00000
    198     -16.6203      2.00000
    199     -16.5659      2.00000
    200     -16.5469      2.00000
    201     -16.5277      2.00000
    202     -16.4827      2.00000
    203     -16.4559      2.00000
    204     -16.3882      2.00000
    205     -16.3492      2.00000
    206     -16.3213      2.00000
    207     -16.2910      2.00000
    208     -16.2447      2.00000
    209     -16.2317      2.00000
    210     -16.2087      2.00000
    211     -16.1502      2.00000
    212     -16.1047      2.00000
    213     -16.1029      2.00000
    214     -16.0522      2.00000
    215     -16.0101      2.00000
    216     -15.8580      2.00000
    217     -15.8190      2.00000
    218     -15.7853      2.00000
    219     -15.7807      2.00000
    220     -15.7459      2.00000
    221     -15.7320      2.00000
    222     -15.7254      2.00000
    223     -15.7112      2.00000
    224     -15.7058      2.00000
    225     -15.6947      2.00000
    226     -15.6598      2.00000
    227     -15.6437      2.00000
    228     -15.6276      2.00000
    229     -15.5945      2.00000
    230     -15.5783      2.00000
    231     -15.5675      2.00000
    232     -15.5356      2.00000
    233     -15.5311      2.00000
    234     -15.5030      2.00000
    235     -15.4952      2.00000
    236     -15.4821      2.00000
    237     -15.4574      2.00000
    238     -15.4480      2.00000
    239     -15.4276      2.00000
    240     -15.4179      2.00000
    241     -15.4051      2.00000
    242     -15.3915      2.00000
    243     -15.3879      2.00000
    244     -15.3721      2.00000
    245     -15.3656      2.00000
    246     -15.3585      2.00000
    247     -15.3427      2.00000
    248     -15.3334      2.00000
    249     -15.3212      2.00000
    250     -15.2839      2.00000
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    252     -15.2643      2.00000
    253     -15.2455      2.00000
    254     -15.2370      2.00000
    255     -15.2290      2.00000
    256     -15.2112      2.00000
    257     -15.1932      2.00000
    258     -15.1810      2.00000
    259     -15.1788      2.00000
    260     -15.1597      2.00000
    261     -15.1523      2.00000
    262     -15.1434      2.00000
    263     -15.1309      2.00000
    264     -15.1207      2.00000
    265     -15.0865      2.00000
    266     -15.0796      2.00000
    267     -15.0607      2.00000
    268     -15.0247      2.00000
    269     -15.0057      2.00000
    270     -14.9543      2.00000
    271     -14.9375      2.00000
    272     -14.9105      2.00000
    273     -14.8999      2.00000
    274     -14.8323      2.00000
    275     -14.8172      2.00000
    276     -14.7906      2.00000
    277     -14.7758      2.00000
    278     -14.7076      2.00000
    279     -14.6460      2.00000
    280     -14.6293      2.00000
    281     -14.5952      2.00000
    282     -14.5676      2.00000
    283     -14.5243      2.00000
    284     -14.4920      2.00000
    285     -14.4571      2.00000
    286     -14.4214      2.00000
    287     -14.3926      2.00000
    288     -14.3346      2.00000
    289     -13.8039      2.00000
    290     -13.7905      2.00000
    291     -13.7561      2.00000
    292     -13.7013      2.00000
    293     -13.6914      2.00000
    294     -13.6548      2.00000
    295     -13.6455      2.00000
    296     -13.6407      2.00000
    297     -13.6078      2.00000
    298     -13.5609      2.00000
    299     -13.5250      2.00000
    300     -13.5157      2.00000
    301     -13.4968      2.00000
    302     -13.4857      2.00000
    303     -13.4475      2.00000
    304     -13.4320      2.00000
    305     -13.4237      2.00000
    306     -13.4186      2.00000
    307     -13.3994      2.00000
    308     -13.3778      2.00000
    309     -13.3670      2.00000
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    311     -13.3344      2.00000
    312     -13.3150      2.00000
    313     -13.2943      2.00000
    314     -13.2598      2.00000
    315     -13.2546      2.00000
    316     -13.2408      2.00000
    317     -13.2162      2.00000
    318     -13.1985      2.00000
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   1451       4.9858      0.00000
   1452       4.9951      0.00000
   1453       5.0059      0.00000
   1454       5.0171      0.00000
   1455       5.0212      0.00000
   1456       5.0253      0.00000
   1457       5.0392      0.00000
   1458       5.0430      0.00000
   1459       5.0578      0.00000
   1460       5.0672      0.00000
   1461       5.0806      0.00000
   1462       5.0924      0.00000
   1463       5.1073      0.00000
   1464       5.1103      0.00000
   1465       5.1185      0.00000
   1466       5.1225      0.00000
   1467       5.1443      0.00000
   1468       5.1572      0.00000
   1469       5.1620      0.00000
   1470       5.1747      0.00000
   1471       5.2029      0.00000
   1472       5.2067      0.00000
   1473       5.2198      0.00000
   1474       5.2254      0.00000
   1475       5.2484      0.00000
   1476       5.2513      0.00000
   1477       5.2651      0.00000
   1478       5.2840      0.00000
   1479       5.3000      0.00000
   1480       5.3209      0.00000
   1481       5.3252      0.00000
   1482       5.3401      0.00000
   1483       5.3572      0.00000
   1484       5.3579      0.00000
   1485       5.3725      0.00000
   1486       5.3900      0.00000
   1487       5.3948      0.00000
   1488       5.4117      0.00000
   1489       5.4271      0.00000
   1490       5.4320      0.00000
   1491       5.4458      0.00000
   1492       5.4571      0.00000
   1493       5.4582      0.00000
   1494       5.4717      0.00000
   1495       5.4749      0.00000
   1496       5.4894      0.00000
   1497       5.5047      0.00000
   1498       5.5169      0.00000
   1499       5.5376      0.00000
   1500       5.5484      0.00000
   1501       5.5578      0.00000
   1502       5.5736      0.00000
   1503       5.5913      0.00000
   1504       5.5952      0.00000
   1505       5.6092      0.00000
   1506       5.6245      0.00000
   1507       5.6340      0.00000
   1508       5.6550      0.00000
   1509       5.6585      0.00000
   1510       5.6672      0.00000
   1511       5.6743      0.00000
   1512       5.6959      0.00000
   1513       5.7009      0.00000
   1514       5.7161      0.00000
   1515       5.7243      0.00000
   1516       5.7332      0.00000
   1517       5.7400      0.00000
   1518       5.7622      0.00000
   1519       5.7698      0.00000
   1520       5.7724      0.00000
   1521       5.7918      0.00000
   1522       5.7988      0.00000
   1523       5.8205      0.00000
   1524       5.8286      0.00000
   1525       5.8344      0.00000
   1526       5.8431      0.00000
   1527       5.8611      0.00000
   1528       5.8698      0.00000
   1529       5.8818      0.00000
   1530       5.8876      0.00000
   1531       5.8941      0.00000
   1532       5.9012      0.00000
   1533       5.9060      0.00000
   1534       5.9149      0.00000
   1535       5.9266      0.00000
   1536       5.9350      0.00000
   1537       5.9440      0.00000
   1538       5.9503      0.00000
   1539       5.9667      0.00000
   1540       5.9735      0.00000
   1541       5.9827      0.00000
   1542       5.9958      0.00000
   1543       6.0031      0.00000
   1544       6.0132      0.00000
   1545       6.0295      0.00000
   1546       6.0448      0.00000
   1547       6.0545      0.00000
   1548       6.0586      0.00000
   1549       6.0716      0.00000
   1550       6.0833      0.00000
   1551       6.0887      0.00000
   1552       6.0960      0.00000
   1553       6.1077      0.00000
   1554       6.1172      0.00000
   1555       6.1262      0.00000
   1556       6.1323      0.00000
   1557       6.1526      0.00000
   1558       6.1575      0.00000
   1559       6.1637      0.00000
   1560       6.1701      0.00000
   1561       6.1773      0.00000
   1562       6.1886      0.00000
   1563       6.1933      0.00000
   1564       6.2000      0.00000
   1565       6.2129      0.00000
   1566       6.2287      0.00000
   1567       6.2333      0.00000
   1568       6.2402      0.00000
   1569       6.2413      0.00000
   1570       6.2619      0.00000
   1571       6.2763      0.00000
   1572       6.2807      0.00000
   1573       6.2839      0.00000
   1574       6.2963      0.00000
   1575       6.3068      0.00000
   1576       6.3351      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.073  13.392  -0.000   0.001  -0.000  -0.000  -0.005   0.001
 13.392  17.804  -0.000   0.002  -0.000  -0.000  -0.006   0.001
 -0.000  -0.000  -4.218   0.002  -0.000   8.249  -0.004   0.000
  0.001   0.002   0.002  -4.219   0.001  -0.004   8.251  -0.001
 -0.000  -0.000  -0.000   0.001  -4.211   0.000  -0.001   8.240
 -0.000  -0.000   8.249  -0.004   0.000 -18.262   0.007  -0.001
 -0.005  -0.006  -0.004   8.251  -0.001   0.007 -18.262   0.001
  0.001   0.001   0.000  -0.001   8.240  -0.001   0.001 -18.253
 total augmentation occupancy for first ion, spin component:           1
  8.561  -3.871   0.210   0.184  -0.020   0.027   0.033  -0.004
 -3.871   1.826  -0.115  -0.118   0.007  -0.012  -0.019   0.002
  0.210  -0.115   1.776  -0.037   0.008   0.167  -0.009   0.001
  0.184  -0.118  -0.037   1.926  -0.090  -0.009   0.182  -0.013
 -0.020   0.007   0.008  -0.090   1.233   0.001  -0.013   0.081
  0.027  -0.012   0.167  -0.009   0.001   0.017  -0.001   0.000
  0.033  -0.019  -0.009   0.182  -0.013  -0.001   0.019  -0.002
 -0.004   0.002   0.001  -0.013   0.081   0.000  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -58676.06147121378.05914 44002.06091-12791.58023  6066.15925 30908.40759
  Hartree -3438.89668148528.18924 81983.34384-13182.30381  4057.48626 25319.49450
  E(xc)  -10769.27131-10636.00878-10674.62550     2.65115     8.11999    28.31813
  Local   28753.11395************************ 25965.61555-10169.61862-55672.57847
  n-local -5906.27351 -5998.51846 -6079.75134     9.98750    19.88026   -53.56783
  augment  1487.97499  1537.42963  1482.79533     3.06259    12.90294    -2.39716
  Kinetic 45844.73597 43364.27241 44061.65485   -61.21909  -113.04749  -527.25816
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      203.1806731   -337.3415059    195.2489490    -53.7863427   -118.1174217      0.4186147
  in kB       33.8820036    -56.2543963     32.5593251     -8.9693032    -19.6970255      0.0698074
  external PRESSURE =       3.3956441 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.325E+03 -.126E+03 0.257E+03   0.326E+03 0.125E+03 -.259E+03   0.290E+00 -.230E+00 0.127E+01   -.977E-04 0.218E-04 0.448E-04
   -.296E+03 -.149E+03 0.375E+02   0.296E+03 0.149E+03 -.367E+02   -.145E-01 -.857E+00 -.370E+00   -.465E-04 0.115E-04 0.566E-05
   -.251E+03 -.148E+03 -.359E+01   0.251E+03 0.150E+03 0.556E+01   0.165E-01 -.743E+00 -.179E+01   -.474E-04 0.850E-05 0.144E-04
   -.293E+03 -.115E+03 0.363E+03   0.293E+03 0.115E+03 -.365E+03   -.122E-01 0.168E+00 0.218E+01   -.141E-03 0.170E-04 0.251E-04
   -.244E+03 -.167E+03 0.323E+03   0.244E+03 0.168E+03 -.324E+03   0.114E+00 -.325E+00 0.945E+00   -.120E-03 0.193E-04 0.179E-04
   -.211E+03 -.140E+03 0.175E+03   0.211E+03 0.140E+03 -.175E+03   0.477E+00 0.525E-01 0.121E+00   -.673E-04 0.176E-04 0.317E-04
   -.351E+03 -.144E+03 0.166E+03   0.352E+03 0.151E+03 -.164E+03   0.368E+00 -.402E+01 0.519E+00   -.110E-03 0.272E-04 0.935E-04
   -.279E+03 -.112E+03 0.723E+01   0.281E+03 0.116E+03 -.113E+02   -.298E+00 -.362E+01 0.197E+01   -.157E-04 -.465E-05 -.585E-04
   -.149E+03 0.126E+02 0.210E+03   0.149E+03 -.127E+02 -.210E+03   0.110E+00 -.126E+00 0.117E+00   -.694E-04 -.105E-04 0.354E-04
   -.135E+03 0.100E+03 0.776E+02   0.135E+03 -.102E+03 -.765E+02   0.227E+00 0.747E+00 -.117E+01   -.478E-04 0.516E-05 0.116E-04
   -.153E+03 0.139E+03 0.140E+03   0.153E+03 -.140E+03 -.140E+03   0.517E+00 0.332E+00 -.381E+00   -.518E-04 0.187E-05 0.643E-05
   -.159E+03 0.127E+02 0.349E+03   0.160E+03 -.134E+02 -.351E+03   -.207E+00 -.412E-01 0.965E+00   -.130E-03 -.397E-04 0.630E-04
   -.166E+03 -.206E+02 0.384E+03   0.166E+03 0.216E+02 -.386E+03   -.399E+00 -.845E+00 0.208E+01   -.172E-03 -.756E-04 0.136E-03
   -.172E+03 0.537E+02 0.330E+03   0.172E+03 -.532E+02 -.332E+03   0.211E+00 -.435E-01 0.136E+01   -.109E-03 -.469E-04 0.997E-04
   -.174E+03 0.142E+03 0.284E+03   0.173E+03 -.149E+03 -.284E+03   0.122E+01 0.388E+01 0.182E+01   -.124E-03 -.544E-04 0.167E-03
   -.192E+03 0.156E+03 0.985E+02   0.192E+03 -.159E+03 -.104E+03   0.132E+00 0.260E+01 0.267E+01   -.347E-04 0.537E-04 -.606E-04
   -.179E+03 0.141E+03 0.492E+02   0.180E+03 -.138E+03 -.455E+02   -.519E+00 -.461E+01 -.427E+01   -.475E-04 0.215E-04 0.247E-04
   -.997E+02 0.230E+03 -.182E+03   0.994E+02 -.232E+03 0.184E+03   0.951E+00 0.154E+01 -.211E+01   -.281E-04 0.260E-04 0.106E-04
   -.667E+02 0.162E+03 -.213E+03   0.664E+02 -.162E+03 0.216E+03   0.553E+00 -.626E-01 -.186E+01   -.223E-04 0.256E-05 0.197E-04
   -.168E+03 0.131E+03 0.186E+03   0.169E+03 -.130E+03 -.189E+03   -.816E+00 -.503E+00 0.301E+01   -.527E-04 0.406E-05 0.587E-04
   -.108E+03 0.975E+02 0.417E+01   0.107E+03 -.991E+02 -.306E+01   0.146E+01 0.243E+01 -.126E+01   -.302E-04 0.147E-05 0.158E-04
   -.868E+02 0.399E+02 -.161E+03   0.872E+02 -.400E+02 0.162E+03   0.195E+00 -.345E+00 -.932E+00   -.255E-04 -.101E-04 0.129E-04
   -.987E+02 -.275E+02 -.216E+03   0.990E+02 0.279E+02 0.216E+03   -.654E-02 -.562E+00 0.820E+00   -.299E-04 0.490E-05 0.518E-04
   -.628E+02 -.841E+02 -.301E+03   0.638E+02 0.863E+02 0.300E+03   -.116E+01 -.230E+01 0.112E+01   -.329E-04 0.161E-04 0.112E-03
   -.353E+02 -.153E+03 -.403E+03   0.350E+02 0.154E+03 0.404E+03   0.406E+00 -.642E+00 -.178E+01   -.517E-04 0.718E-04 0.196E-03
   -.161E+03 -.168E+03 -.206E+03   0.162E+03 0.168E+03 0.204E+03   -.845E+00 -.461E+00 0.236E+01   -.325E-04 0.160E-04 0.566E-04
   -.127E+03 -.313E+03 -.237E+03   0.128E+03 0.315E+03 0.237E+03   -.604E-01 -.106E+01 0.485E+00   -.554E-04 0.550E-04 0.110E-03
   -.664E+02 -.267E+03 -.350E+03   0.666E+02 0.268E+03 0.350E+03   -.948E-01 -.905E+00 -.186E+00   -.723E-04 0.107E-03 0.199E-03
   -.551E+02 -.231E+02 -.281E+03   0.593E+02 0.325E+02 0.278E+03   -.514E+01 -.943E+01 0.443E+01   -.158E-04 0.339E-04 0.105E-03
   -.976E+02 0.829E+02 0.299E+02   0.934E+02 -.927E+02 -.259E+02   0.426E+01 0.997E+01 -.446E+01   -.239E-04 -.271E-04 0.179E-04
   -.172E+03 -.444E+02 -.703E+02   0.171E+03 0.442E+02 0.721E+02   -.420E-01 -.133E+00 -.166E+01   -.423E-04 0.559E-04 -.176E-04
   -.117E+03 -.168E+03 0.101E+03   0.117E+03 0.169E+03 -.101E+03   0.120E+00 -.101E+01 -.717E-01   -.380E-04 0.294E-04 0.195E-04
   -.150E+03 -.158E+03 0.143E+03   0.149E+03 0.160E+03 -.144E+03   0.869E-01 -.136E+01 0.955E+00   -.476E-04 0.891E-05 0.282E-04
   -.300E+03 0.583E+01 -.160E+03   0.299E+03 -.776E+01 0.163E+03   0.841E+00 0.198E+01 -.283E+01   -.557E-04 0.764E-04 -.175E-04
   -.300E+03 -.728E+02 -.192E+03   0.300E+03 0.731E+02 0.193E+03   0.367E+00 0.290E+00 -.122E+01   -.778E-04 0.294E-04 -.221E-04
   -.227E+03 -.691E+02 -.332E+02   0.226E+03 0.692E+02 0.334E+02   0.241E+00 0.308E+00 -.198E+00   -.721E-04 0.197E-04 -.606E-05
   -.666E+02 -.719E+02 -.297E+02   0.663E+02 0.766E+02 0.329E+02   -.434E-02 -.403E+01 -.271E+01   -.575E-05 0.756E-04 -.624E-04
   -.301E+02 -.160E+03 0.908E+02   0.289E+02 0.163E+03 -.846E+02   0.131E+00 -.277E+01 -.343E+01   -.395E-04 -.211E-04 0.536E-04
   -.191E+03 0.678E+02 -.418E+02   0.191E+03 -.680E+02 0.419E+02   -.144E+00 0.124E+00 -.235E+00   -.844E-04 0.277E-04 -.203E-05
   -.824E+02 0.871E+02 0.158E+03   0.823E+02 -.886E+02 -.160E+03   -.209E+00 0.852E+00 0.177E+01   -.787E-04 0.189E-04 0.222E-04
   -.148E+02 0.971E+02 0.963E+02   0.143E+02 -.983E+02 -.969E+02   0.343E+00 0.101E+01 0.552E+00   -.753E-04 0.167E-04 0.109E-04
   -.219E+03 0.942E+02 -.249E+03   0.219E+03 -.955E+02 0.249E+03   0.441E-02 0.529E+00 -.106E+01   -.871E-04 0.407E-04 -.790E-05
   -.170E+03 0.442E+02 -.323E+03   0.170E+03 -.440E+02 0.325E+03   0.950E-01 0.116E+00 -.216E+01   -.682E-04 -.478E-05 -.168E-04
   -.721E+02 0.749E+02 -.186E+03   0.720E+02 -.756E+02 0.188E+03   -.116E+00 0.134E+01 -.110E+01   -.651E-04 -.937E-05 -.130E-04
   -.188E+02 0.125E+03 -.109E+03   0.182E+02 -.131E+03 0.107E+03   0.237E+00 0.490E+01 -.150E+00   -.251E-04 -.314E-04 -.633E-04
   0.478E+02 0.952E+02 0.126E+03   -.496E+02 -.997E+02 -.125E+03   0.373E+00 0.406E+01 -.191E+01   -.675E-04 0.232E-04 0.435E-04
   0.841E+02 0.644E+02 0.100E+03   -.834E+02 -.588E+02 -.102E+03   -.135E+01 -.566E+01 0.210E+01   -.285E-04 -.226E-04 -.122E-04
   0.302E+02 0.153E+03 0.297E+03   -.296E+02 -.154E+03 -.300E+03   -.985E+00 0.143E+01 0.271E+01   -.704E-04 -.628E-05 0.435E-04
   -.129E+02 0.152E+03 0.241E+03   0.142E+02 -.151E+03 -.244E+03   -.159E+01 -.235E+00 0.173E+01   -.680E-04 -.296E-04 0.713E-04
   0.922E+02 0.850E+02 -.734E+02   -.929E+02 -.854E+02 0.767E+02   0.190E+00 0.534E+00 -.343E+01   -.276E-05 -.319E-04 -.277E-04
   0.569E+02 0.569E+02 -.924E+01   -.564E+02 -.586E+02 0.733E+01   -.660E+00 0.182E+01 0.222E+01   0.192E-05 -.391E-04 -.829E-05
   0.388E+02 0.439E+02 0.102E+03   -.388E+02 -.434E+02 -.103E+03   0.311E+00 -.736E+00 0.100E+01   -.153E-04 -.543E-04 0.121E-04
   -.109E+03 -.248E+02 0.412E+02   0.109E+03 0.249E+02 -.408E+02   0.323E+00 0.534E-01 -.367E+00   -.115E-04 -.184E-04 0.176E-04
   -.299E+03 -.536E+02 0.146E+03   0.299E+03 0.552E+02 -.144E+03   -.105E+01 -.181E+01 -.241E+01   -.515E-04 0.178E-04 0.661E-04
   -.347E+03 -.904E+02 0.193E+03   0.348E+03 0.910E+02 -.197E+03   -.583E+00 -.777E+00 0.301E+01   -.570E-04 0.652E-05 0.412E-04
   -.111E+03 -.162E+03 -.119E+03   0.110E+03 0.161E+03 0.121E+03   0.782E+00 0.456E+00 -.182E+01   0.964E-05 -.199E-04 -.288E-05
   -.162E+03 -.167E+03 -.186E+03   0.162E+03 0.169E+03 0.188E+03   0.733E+00 -.119E+01 -.282E+01   0.132E-04 -.141E-04 -.965E-05
   -.264E+03 -.742E+02 0.258E+02   0.263E+03 0.684E+02 -.237E+02   0.121E+01 0.583E+01 -.230E+01   -.193E-04 -.111E-05 0.110E-04
   -.253E+03 0.888E+01 0.174E+03   0.251E+03 -.146E+01 -.166E+03   0.340E+01 -.704E+01 -.927E+01   -.118E-03 0.856E-04 0.110E-03
   -.330E+02 0.201E+02 -.886E+02   0.353E+02 -.281E+02 0.818E+02   -.345E+01 0.781E+01 0.825E+01   -.819E-05 -.377E-04 0.224E-04
   -.470E+03 -.801E+02 0.942E+02   0.470E+03 0.802E+02 -.960E+02   0.905E-01 -.667E+00 0.157E+01   0.679E-04 -.733E-04 -.512E-05
   -.459E+03 -.113E+03 -.917E+02   0.459E+03 0.114E+03 0.925E+02   0.231E+00 -.125E+01 0.161E+00   0.564E-04 -.489E-04 0.591E-05
   -.406E+03 -.116E+03 -.124E+03   0.407E+03 0.118E+03 0.126E+03   0.117E-01 -.760E+00 -.178E+01   0.255E-04 -.235E-04 0.356E-04
   -.384E+03 -.803E+02 0.186E+03   0.384E+03 0.804E+02 -.188E+03   0.202E+00 0.550E+00 0.214E+01   0.496E-04 -.394E-04 -.563E-04
   -.317E+03 -.133E+03 0.144E+03   0.317E+03 0.133E+03 -.145E+03   0.288E+00 -.319E+00 0.101E+01   0.432E-04 0.198E-04 -.737E-04
   -.325E+03 -.112E+03 0.206E+02   0.325E+03 0.112E+03 -.207E+02   0.206E+00 -.275E-01 0.402E+00   0.193E-04 0.637E-05 -.849E-05
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   0.627E+03 0.419E+03 -.307E+03   -.665E+03 -.449E+03 0.315E+03   0.375E+02 0.298E+02 -.888E+01   0.142E-03 -.419E-04 0.151E-03
   0.656E+02 0.255E+03 0.764E+02   -.363E+02 -.281E+03 -.105E+03   -.300E+02 0.263E+02 0.299E+02   0.449E-04 0.101E-03 0.141E-03
   -.602E+03 -.298E+03 0.485E+03   0.642E+03 0.330E+03 -.504E+03   -.394E+02 -.324E+02 0.188E+02   0.892E-04 -.288E-04 0.108E-03
   -.101E+01 -.399E+03 0.177E+02   -.252E+02 0.428E+03 0.932E+01   0.271E+02 -.294E+02 -.279E+02   0.157E-03 -.247E-04 0.295E-04
   -.250E+03 0.187E+02 0.897E+02   0.269E+03 -.469E+02 -.487E+02   -.188E+02 0.282E+02 -.418E+02   0.112E-03 0.741E-05 0.618E-04
   0.768E+03 -.409E+02 0.448E+02   -.792E+03 0.590E+02 -.862E+02   0.238E+02 -.179E+02 0.423E+02   0.105E-03 -.268E-05 0.512E-04
   -.793E+02 0.347E+03 0.370E+01   0.129E+03 -.377E+03 -.163E+02   -.504E+02 0.289E+02 0.140E+02   -.899E-04 0.736E-04 0.422E-04
   0.932E+03 0.300E+03 0.108E+03   -.972E+03 -.327E+03 -.987E+02   0.404E+02 0.271E+02 -.810E+01   0.147E-03 0.105E-03 0.106E-03
   0.850E+03 -.111E+03 -.604E+03   -.859E+03 0.124E+03 0.653E+03   0.832E+01 -.135E+02 -.493E+02   0.550E-03 -.246E-03 -.774E-04
   0.590E+03 -.409E+03 -.235E+03   -.575E+03 0.452E+03 0.215E+03   -.149E+02 -.436E+02 0.202E+02   0.363E-03 -.193E-03 -.121E-03
   0.108E+04 0.123E+03 -.223E+03   -.113E+04 -.127E+03 0.195E+03   0.523E+02 0.356E+01 0.279E+02   0.413E-03 -.249E-03 -.225E-03
   -.556E+03 0.553E+02 -.305E+03   0.591E+03 -.607E+02 0.343E+03   -.346E+02 0.634E+01 -.380E+02   0.122E-04 -.203E-04 0.221E-04
   0.157E+03 0.597E+03 0.203E+02   -.179E+03 -.642E+03 -.145E+02   0.233E+02 0.453E+02 -.923E+01   0.347E-04 0.709E-04 -.530E-04
   -.317E+03 -.129E+02 0.223E+03   0.345E+03 0.759E+01 -.267E+03   -.286E+02 0.579E+01 0.433E+02   -.578E-04 -.148E-04 -.190E-04
   -.427E+03 -.370E+03 0.201E+03   0.452E+03 0.399E+03 -.233E+03   -.250E+02 -.288E+02 0.315E+02   0.195E-04 0.383E-04 -.133E-03
   0.222E+03 -.570E+03 -.211E+03   -.248E+03 0.606E+03 0.244E+03   0.250E+02 -.358E+02 -.337E+02   0.136E-03 -.496E-04 -.951E-04
   -.467E+03 -.137E+03 0.112E+02   0.509E+03 0.121E+03 0.178E+02   -.408E+02 0.155E+02 -.296E+02   -.103E-03 -.101E-04 -.776E-04
   0.100E+04 -.324E+02 -.182E+03   -.105E+04 0.527E+02 0.162E+03   0.446E+02 -.196E+02 0.197E+02   0.164E-04 0.132E-03 -.192E-03
   0.546E+03 0.516E+03 0.845E+02   -.535E+03 -.545E+03 -.124E+03   -.998E+01 0.298E+02 0.394E+02   0.172E-03 0.459E-04 -.922E-05
   0.902E+03 0.315E+03 -.380E+03   -.920E+03 -.349E+03 0.420E+03   0.181E+02 0.341E+02 -.393E+02   0.250E-03 -.703E-04 -.124E-03
   0.530E+03 -.136E+03 -.596E+03   -.557E+03 0.158E+03 0.638E+03   0.262E+02 -.219E+02 -.420E+02   -.182E-03 -.407E-04 0.360E-04
   0.149E+03 -.338E+03 -.762E+00   -.119E+03 0.374E+03 -.160E+02   -.298E+02 -.361E+02 0.171E+02   -.217E-04 -.581E-04 -.285E-04
   0.388E+03 0.129E+03 0.104E+03   -.423E+03 -.128E+03 -.143E+03   0.353E+02 -.210E+01 0.393E+02   -.105E-03 -.248E-04 -.150E-04
   -.322E+03 -.755E+02 -.288E+03   0.359E+03 0.721E+02 0.323E+03   -.372E+02 0.420E+01 -.357E+02   0.201E-03 0.139E-04 -.250E-04
   0.354E+03 0.257E+03 -.152E+03   -.389E+03 -.295E+03 0.168E+03   0.357E+02 0.372E+02 -.161E+02   0.231E-03 0.212E-04 -.311E-04
   -.172E+03 0.542E+02 0.139E+03   0.198E+03 -.728E+02 -.183E+03   -.255E+02 0.189E+02 0.442E+02   0.218E-03 -.113E-04 -.209E-04
   -.352E+03 -.435E+03 0.399E+03   0.379E+03 0.471E+03 -.426E+03   -.268E+02 -.367E+02 0.263E+02   0.184E-03 0.378E-04 -.308E-04
   0.146E+03 -.518E+03 -.110E+03   -.174E+03 0.545E+03 0.142E+03   0.282E+02 -.275E+02 -.322E+02   0.185E-03 -.261E-04 -.670E-04
   -.357E+03 -.104E+03 -.153E+02   0.392E+03 0.860E+02 0.492E+02   -.344E+02 0.171E+02 -.345E+02   0.163E-03 0.220E-04 -.330E-04
   0.394E+01 -.915E+02 0.874E+03   -.320E+02 0.110E+03 -.916E+03   0.278E+02 -.178E+02 0.421E+02   0.339E-04 0.123E-03 0.435E-03
   -.254E+03 0.168E+03 0.684E+03   0.294E+03 -.190E+03 -.711E+03   -.396E+02 0.211E+02 0.267E+02   0.185E-03 -.121E-04 0.259E-03
   0.153E+03 0.399E+03 0.300E+03   -.188E+03 -.432E+03 -.282E+03   0.351E+02 0.335E+02 -.177E+02   -.419E-06 0.411E-05 0.155E-03
 -----------------------------------------------------------------------------------------------
   0.246E+01 0.132E+02 -.185E+02   -.256E-11 0.108E-11 0.944E-11   -.247E+01 -.132E+02 0.185E+02   0.753E-02 0.291E-02 0.768E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.68372      3.15362      1.41687         0.615963     -0.341446     -0.494302
     12.52514      3.58845      2.71047         0.395249     -0.378808      0.467040
     12.53737      4.95590      3.01350         0.205644      0.955909      0.177821
     12.82330      4.06615      0.37336         0.206050     -0.126210      0.063411
     12.85730      5.42274      0.67345         0.154581      0.696197      0.006607
     12.71855      5.93837      1.98998         0.330210      0.146660      0.019964
     12.69427      1.65352      1.38236         0.467834      2.472893      1.697548
     12.28426      2.34649      3.57092         1.307102      0.942074     -2.114138
     12.83007      7.46664      2.22148         0.195541     -0.234336     -0.022438
     12.73677      8.10058      3.49444         0.203284     -0.774017     -0.141585
     12.99528      9.46664      3.65367         0.392049     -0.019215      0.476855
     13.13686      8.33767      1.13795        -0.005348     -0.707923     -0.270641
     13.33099      9.70745      1.28703        -0.048581      0.168270     -0.011448
     13.25602     10.26301      2.56043         0.357200      0.450396      0.069680
     13.46364     11.68982      3.02265        -0.034866     -3.649614      1.565993
     13.08049     10.33271      4.92554         0.758137     -0.423376     -3.253942
     13.49715     12.83156      5.34135         0.316945     -1.166070     -0.580313
     13.15206     12.75204      6.68526         0.637366     -0.435706     -0.604687
     13.23961     13.87677      7.45540         0.251672     -0.028088      0.689458
     13.80207     14.11438      4.87191         0.601435      0.108528      0.058629
     13.84511     15.24187      5.70697         0.726091      0.806451     -0.153991
     13.57474     15.18107      7.09322         0.551294     -0.460657     -0.292523
     13.65265     16.29073      8.08441         0.331388     -0.104842      0.227921
     13.20153     16.20368      9.41879        -0.105714     -0.116602      0.316604
     13.35209     17.26538     10.30872         0.084940      0.075985      0.086499
     14.19572     17.54424      7.78743         0.405096     -0.109077     -0.152889
     14.31590     18.62710      8.61645         0.242470      0.227282      0.240161
     13.91160     18.47471      9.91716         0.055776      0.281214      0.683450
     12.54530     14.98331      9.95414        -1.000578     -0.034202      1.512244
     14.30997     16.54794      5.09273         0.045973      0.177698     -0.482929
      9.71498      3.82825      4.80384        -0.270595     -0.334716      0.186133
      9.92270      4.75790      3.81734        -0.200610      0.153096     -0.451473
     10.03721      6.10949      4.14647        -0.140866      0.481346      0.182293
      9.57991      4.20461      6.12994         0.163437      0.056604     -0.079637
      9.68203      5.54238      6.46927         0.113493      0.560720      0.192663
      9.94743      6.54283      5.49569        -0.060074      0.354085      0.072401
      9.63127      2.46934      4.22543        -0.365325      0.613150      0.478800
     10.03461      4.02585      2.49072        -1.106475     -0.130773      2.703359
     10.09531      8.00622      5.89994        -0.263022     -0.155818     -0.166435
     10.37266      9.00790      4.93581        -0.285131     -0.643947     -0.131480
     10.44581     10.34662      5.27540        -0.177103     -0.182673     -0.077151
      9.92076      8.44776      7.23904        -0.214310     -0.758005     -0.226842
     10.03870      9.78628      7.59539        -0.031743      0.315465     -0.029681
     10.30694     10.71586      6.59100        -0.271992      0.656490      0.428266
     10.48407     12.19275      6.66929        -0.411974     -1.522302     -1.446121
     10.82253     11.55602      4.46791        -1.383164     -0.444075     -0.373260
     11.05679     14.03967      4.97108        -0.597988     -0.082245      0.198694
     11.51036     14.38795      3.69918        -0.438749     -0.028815     -0.093234
     11.80822     15.71095      3.43667        -0.302847      0.312987     -0.663865
     10.99458     15.10397      5.89847        -0.518311      0.173643     -0.107678
     11.20812     16.45885      5.55379        -0.181164      0.191716      0.309272
     11.59619     16.83996      4.23978         0.280603     -0.203765      0.070853
     12.00373     18.23035      3.79085         0.040580      0.218921      0.070934
     12.50243     18.59615      2.52162        -0.444926     -0.228042     -0.386950
     12.56452     19.97777      2.17510         0.333943     -0.216630     -0.161585
     11.86431     19.34183      4.63777         0.071530     -0.178743      0.547928
     11.99661     20.68339      4.37452         0.416324      0.199637     -0.216915
     12.33469     21.05786      3.07778         0.731558      0.072449     -0.279901
     12.67993     17.51728      1.37822         1.462102      0.376490     -1.631163
     10.98536     17.49402      6.65750        -1.130638     -0.243547      1.412501
      9.98060      7.16209     14.58755         0.598882     -0.574343     -0.277198
      9.83800      7.61571     15.87069         0.788224     -0.588230      0.940776
      9.88712      8.97121     16.17987         0.512616      0.873576      0.185865
     10.09769      8.06970     13.54394         0.356735      0.654261     -0.260198
     10.15309      9.45020     13.84685         0.271545      0.190283     -0.197096
     10.06296      9.95871     15.16698         0.415691      0.328839      0.278337
      9.85256      5.67596     14.60543         0.742412      0.148095     -1.688644
      9.57797      6.39283     16.74965         1.109475      0.697829     -1.920313
     10.17474     11.48631     15.47490         0.325316     -0.345102     -0.030229
     10.10482     12.05727     16.78324         0.184676     -0.643132     -0.058722
     10.27794     13.43854     17.00420         0.249505     -0.019609      0.382798
     10.43969     12.40963     14.42293         0.074955     -0.608230     -0.218639
     10.59539     13.77532     14.63658         0.023354      0.134063      0.000875
     10.48539     14.27922     15.93410         0.365586      0.438149     -0.052845
     10.56674     15.70570     16.40571         0.453522     -2.368148      1.042113
     10.20788     14.29707     18.29084         0.968158     -0.171620     -2.719592
     10.40677     16.86317     18.71780         0.501272     -0.647624     -0.667739
     10.11479     16.79457     20.06369         0.176186     -0.175397     -0.198903
     10.00917     17.96531     20.77647        -0.127075      0.139161      0.520759
     10.58728     18.18345     18.24644         0.680864      0.051689     -0.088480
     10.54192     19.34565     19.03098         0.898153      0.585899      0.108978
     10.25568     19.29967     20.42333         0.295141     -0.439893     -0.357760
     10.23885     20.43678      0.14014        -0.592040      0.306200      0.482118
      9.79755     20.38833      1.49830        -0.149986     -0.949165      0.356532
      9.77490      0.22178      2.35905        -0.605017     -0.507483     -0.697034
     10.55721      0.50485     21.09244        -0.308795     -0.155413     -0.436848
     10.31889      1.64817      0.56696        -0.094393      0.388509      0.338230
      9.96217      1.53057      1.89693        -0.704621      0.470825      0.742812
      9.47303     19.06734      2.14727        -0.815698      0.282811      1.111404
     10.86328     20.67473     18.39302         0.965144      0.762443     -0.878719
      7.11982      7.59878     17.53260        -0.365417     -0.302519      0.354180
      7.33850      8.53184     16.55820        -0.582659     -0.010884     -0.503554
      7.48106      9.88550     16.87922        -0.243237      0.893336      0.092363
      7.06562      7.98215     18.87679         0.005305     -0.232109     -0.183677
      7.11631      9.33022     19.18899         0.008004      0.683581      0.298143
      7.33905     10.34829     18.21103        -0.257446      0.215743      0.005726
      6.98326      6.23675     16.91161        -0.073998      2.353159     -0.464768
      7.40778      7.79617     15.22648        -1.464110     -0.161844      1.920748
      7.36724     11.83684     18.61503        -0.264237     -0.226137     -0.180503
      7.62088     12.91626     17.72031        -0.250150     -0.664730     -0.337104
      7.59247     14.24591     18.13667        -0.260194      0.243820     -0.329918
      7.07062     12.22180     19.93865        -0.042438     -0.562222      0.036829
      7.04150     13.55450     20.34778         0.150743      0.071602     -0.026185
      7.30741     14.56439     19.43976        -0.301277      0.297439      0.454615
      7.37034     16.05301     19.62135        -0.142007     -2.025397     -1.503830
      7.92396     15.53946     17.43689        -1.536503     -0.944922      0.578392
      7.87660     18.01961     18.07429        -0.437242     -0.002985     -0.111436
      8.47651     18.43664     16.88198        -0.416310     -0.388093      0.055854
      8.75543     19.77468     16.69145        -0.370548      0.490498     -0.647726
      7.60367     19.07367     18.98533        -0.730120     -0.167031      0.076258
      7.73225     20.44238     18.65805        -0.442273      0.302679      0.093385
      8.25263     20.88269     17.40477         0.202696     -0.227225      0.334609
      8.59288      1.06735     17.01539         0.123970      0.129763      0.024641
      8.98935      1.43625     15.72308         0.035632     -0.720439     -0.335848
      9.25641      2.78758     15.37711         0.549907     -0.347785     -0.012714
      8.64824      2.18265     17.90286        -0.456325     -0.428725      0.566566
      8.90061      3.50437     17.60835         0.308688      0.386020      0.104089
      9.23771      3.85505     16.29461         0.808589      0.227404     -0.204225
      9.13934      0.37776     14.62483         0.806081     -1.814458     -1.197306
      7.32848      0.21054     19.71438        -1.704412     -0.134760      0.984914
      7.03513     10.83793      6.13441        -0.080890     -0.177970     -0.356977
      6.84638     11.31335      7.40835        -0.166929     -0.175632      0.312533
      6.96486     12.66912      7.70202         0.031160      0.686456      0.145489
      7.37796     11.70073      5.09896        -0.075826      0.021864     -0.093585
      7.50950     13.05991      5.38487         0.020532      0.651282      0.001905
      7.29421     13.60693      6.68348        -0.045085      0.288778     -0.038610
      6.86198      9.35585      6.14765         0.150850      1.346707     -0.007231
      6.54368     10.11366      8.28344         0.532186      0.942369     -1.946096
      7.40847     15.12563      6.92238        -0.100850     -0.246370     -0.156885
      7.12313     15.76538      8.15904        -0.010396     -0.613982     -0.048341
      7.24989     17.15297      8.28726        -0.101154      0.273550      0.515327
      7.79301     15.99129      5.85809        -0.203472     -0.686768     -0.197802
      7.86797     17.37088      5.99557        -0.287220      0.082185     -0.243086
      7.61620     17.95106      7.23522        -0.202934      0.306186     -0.270876
      7.72768     19.38149      7.70614        -0.348697     -1.833429     -0.221299
      7.08566     18.07074      9.48005         0.819692     -0.366316     -2.436914
      7.39655     20.59627      9.91737         0.388329     -0.421476     -0.360595
      6.96387     20.55747     11.23172         0.251043     -0.279271     -0.208689
      6.81919      0.46126     11.93614         0.383964     -0.020557      1.163776
      7.75402      0.63306      9.51913         0.598522      0.065914     -0.223455
      7.75877      1.76185     10.36971         0.808789      0.459818      0.010068
      7.28846      1.74930     11.69931         0.598994     -0.060453     -0.101002
      7.30703      2.88544     12.72274         0.062214      0.057685      0.676460
      6.87385      2.90611     14.08821        -0.292937     -1.008462      0.082493
      6.86576      3.99902     14.94882        -0.614342     -0.764600     -0.348929
      7.76219      4.16468     12.46307         0.135112      0.739573      0.211850
      7.65344      5.33010     13.24510        -0.142389     -0.061180      0.293756
      7.19533      5.28743     14.54824        -0.340644      0.685440      0.456564
      6.30339      1.65578     14.65289        -1.378353      2.857836      1.282624
      8.31514      3.03242      9.83988         0.821233      0.527324     -1.192258
      4.02627     11.50033     10.76091         0.021030     -0.338077      0.253719
      3.74929     12.38027      9.73979        -0.101886     -0.017548     -0.401340
      3.82327     13.75910      9.94315         0.026221      0.596422      0.051559
      4.36365     11.97467     12.02823         0.057236     -0.128832      0.131022
      4.41999     13.35202     12.24841         0.059812      0.659548      0.075097
      4.16498     14.30253     11.21586         0.067282      0.020614      0.048215
      3.87412     10.09301     10.25531        -0.136042      2.312580     -0.305596
      3.37767     11.55820      8.51500         0.634822      0.128498      1.959451
      4.27285     15.81314     11.47236        -0.038268     -0.833658     -0.162963
      4.13392     16.74739     10.42229        -0.129199     -0.062095     -0.011233
      4.24057     18.11444     10.65086        -0.198056     -0.230008     -0.054049
      4.56197     16.31807     12.77006         0.062413     -0.356027     -0.345131
      4.72423     17.67810     12.98553         0.122545      0.144315     -0.063303
      4.51646     18.55175     11.92025        -0.139225      0.228696     -0.282222
      4.56700     19.98632     11.82435         0.105533      3.375258      7.484472
      4.30045     19.31621      9.74298        -0.656640     -0.922289     -0.238710
      4.66977      0.61552     10.11118        -0.541284      0.263951      0.422851
      4.94437      0.94436      8.78622        -0.392554     -0.235474     -0.097796
      5.23329      2.26199      8.45763         0.171638      0.203987     -0.596808
      4.66406      1.73791     10.98214        -0.646814      0.206410     -0.122767
      4.89025      3.08892     10.58615        -0.192279      0.369597      0.528695
      5.31055      3.41278      9.26600        -0.039118     -0.358484      0.128989
      5.84064      4.79445      8.74552        -0.300780      0.189419      0.193473
      6.21763      5.09608      7.43492         0.220496     -0.081157     -0.983341
      6.46485      6.44483      7.05492         0.446546      0.126776     -0.155200
      5.83044      5.95963      9.54124        -0.280926     -0.707387      0.428394
      6.03571      7.26673      9.21759         0.420314      1.074255     -0.295922
      6.34824      7.57694      7.89104         0.598886     -0.082076     -0.139581
      6.23896      3.97911      6.33375         1.775272      0.149920     -0.955693
      4.78257      4.15122     11.69459        -1.379044     -0.268922      1.671325
      1.39430     14.35098      0.64953        -0.678655     -0.227601      0.022021
      1.86244     14.76474      1.87459        -0.036677     -0.585114      0.464684
      1.75989     16.12369      2.22055        -0.234129      0.842429      0.462294
      0.81950     15.26310     21.01109        -0.026321     -0.396039     -0.254829
      0.84398     16.60930      0.03253        -0.405049      0.807367      0.194962
      1.25206     17.11194      1.30315        -0.434039      0.083075     -0.005051
      1.53695     12.87328      0.51555        -1.458001      0.922024      0.663651
      2.46488     13.49757      2.55313        -1.612948      0.471847     -2.844876
      1.08730     18.63677      1.52709        -0.154243     -0.384130     -0.001600
      1.42551     19.31943      2.72352        -0.093449     -0.646719     -0.088762
      1.28673     20.70332      2.80843        -0.027825      0.169540      0.740500
      0.56724     19.46335      0.47808        -0.216332     -0.571041     -0.369019
      0.40733     20.84187      0.58353        -0.028681     -0.028490      0.290812
      0.77848      0.19312      1.77837        -0.504436      0.133009     -0.634467
      0.81789      1.64701      2.12150        -0.198122     -2.010890      0.033785
      1.66250      0.41195      3.91048        -1.078006     -0.322215     -2.196741
      1.54853      2.96394      4.11159        -0.282686     -0.893695     -0.321613
      2.08339      2.91625      5.37675        -0.185041      0.305710     -0.291370
      2.24726      4.11376      6.01687         0.018102      0.003797      0.452816
      1.19360      4.23277      3.64295        -0.320248      0.232165     -0.067337
      1.42189      5.41515      4.35901        -0.705257      0.616099     -0.316443
      2.04078      5.44199      5.62488        -0.716825     -0.272296     -0.176820
      2.33861      6.65702      6.45405         0.162697     -0.106196      1.151469
      2.95912      6.60960      7.70709        -0.540915     -1.081254      1.086107
      3.34214      7.72002      8.49234        -0.495082     -0.301262     -0.323928
      2.18885      8.00557      6.11145        -0.274903     -0.209640     -0.501472
      2.62361      9.12469      6.76989        -0.143550      1.030508      0.200122
      3.17876      9.03310      8.04921         0.033548      0.455105      0.592933
      3.14664      5.26560      8.37607        -0.919314      0.370448     -1.978992
      0.89090      6.69043      3.76319        -0.669757      0.709134     -0.915063
      4.60858     14.04610      0.75031         0.342190     -0.220235     -0.044435
      3.90043     14.97393      0.00876         0.008511     -0.366444     -0.837222
      3.91892     16.33914      0.36178         0.125081      0.826051     -0.126305
      5.40018     14.49545      1.81252        -0.001182     -0.183876      0.052892
      5.42268     15.84871      2.15189         0.211854      0.704972      0.362305
      4.67562     16.85319      1.46732         0.125264      0.013841     -0.172170
      4.45324     12.65128      0.17136        -0.345707      2.398524     -0.477253
      3.21160     14.15592     20.12835         2.792870     -0.918147      2.274481
      4.75245     18.36207      1.91263         0.156775      0.007218     -0.005414
      4.06816     19.46139      1.30187        -0.109498     -0.546813     -0.484946
      4.19689     20.78797      1.76241        -0.062603      0.444719     -0.274021
      5.59110     18.75234      3.00577         0.055046     -0.633105     -0.046496
      5.73271     20.07022      3.45506         0.008637      0.079206      0.139654
      5.00900     21.08892      2.82891         0.195024      0.012025      0.167570
      4.97545      1.31443      3.08868         0.160231     -1.489583     -0.339071
      3.59959      0.87690      1.30573         1.681655     -1.135456      1.445600
      3.78898      3.35905      2.14994         0.138005     -0.264276     -0.284749
      2.93890      3.92519      1.20265         0.025434      0.200066     -0.028231
      2.66828      5.29837      1.24240         0.098193     -0.084392     -1.380084
      4.23449      4.30992      3.08793         0.598894     -0.155076      0.097449
      4.02970      5.70387      2.98221         0.415625      0.445480      0.200445
      3.32278      6.34888      1.94118         0.576224     -0.195635      0.588095
      3.24478      7.94272      1.78019        -0.780593      0.425300      0.117563
      2.35235      8.58718      0.90544        -0.962219      0.096286     -0.070648
      2.10290      9.95942      0.76047        -0.312346      0.105923      0.380478
      3.64769      8.96433      2.66764         0.905093     -0.787486      0.601886
      3.32547     10.29943      2.70146         0.213627      1.824156      0.560736
      2.55730     10.91386      1.70102        -0.200463     -0.105140     -0.109873
      1.76519      7.62620     21.21863        -1.906226      0.623602     -0.573115
      4.65232      6.55498      4.04460         0.475869      0.145076      0.710922
     18.34879     17.31989     13.29352        -0.527133     -0.644658      0.118835
     19.38871     17.79583     14.05709         0.110516     -0.042519      0.478680
     19.56970     19.16620     14.22299        -0.268938      0.816260      0.098716
     17.44755     18.18917     12.68631        -0.179579     -0.015762      0.006953
     17.62068     19.55955     12.85975        -0.081387      0.723227      0.100666
     18.67991     20.10460     13.63430         0.000306      0.160441      0.288497
     18.38947     15.81757     13.31092         1.398945      2.380132      1.873025
     20.20945     16.62937     14.52212        -0.308904      0.764011      1.234502
     18.81740      0.35764     13.86625        -0.297788     -0.295535     -0.109465
     19.87486      0.94627     14.61249        -0.219143     -0.556735      0.001342
     19.85563      2.31055     14.90345         0.133866      0.004132      0.505603
     17.79941      1.24417     13.41233        -0.019713     -0.582151     -0.169747
     17.80533      2.60562     13.70167        -0.055133      0.028226     -0.210798
     18.85317      3.12491     14.44377        -0.181612      0.559177      0.246531
     19.08027      4.51127     14.97254        -0.458814     -1.171274     -0.052904
     20.71599      3.15422     15.81268        -2.011730     -0.436275     -1.089928
     20.81844      5.61118     16.50346        -0.198439     -0.072407      0.286856
      0.85106      5.56958     17.05517        -0.194224      0.610960      0.073792
      1.51302      6.77168     17.33143        -2.346376      0.029087      1.448082
     20.30188      6.92267     16.45547        -0.921340      0.318076      0.664949
     20.86488      8.05091     17.12197         0.296773      0.518371      0.636556
      0.94087      8.03869     17.62572        -0.916922      0.081262      0.152286
      1.68688      9.22119     18.32412         0.669193     -1.451136     -0.257209
      2.97801      9.16943     18.94006         0.767236     -1.137844      0.307914
      3.55069     10.25427     19.61915         1.101707     -0.441817      0.138405
      1.13957     10.42350     18.59217        -1.249836      2.014454     -0.449090
      1.76425     11.62921     19.01699         0.963177     -0.865389      0.374796
      3.04960     11.57604     19.56743        -0.531607      0.662918      0.413602
      3.74480      7.84970     18.94940         1.220664     -0.465084      0.265175
     20.02662      9.31372     17.23085        -0.048455     -0.331647      0.846884
      2.04850     18.12259     14.12429        -0.333919     -0.527848      0.057721
      1.26099     19.06066     13.49731        -0.274764      0.216377     -0.364859
      1.41492     20.41395     13.81121         0.347424      0.558124      0.095788
      3.08258     18.52289     14.96199        -0.059620     -0.185632      0.356920
      3.33714     19.87358     15.16057         0.010646      0.847608      0.353631
      2.46905     20.88386     14.64732        -0.311828      0.246591      0.145397
      1.62958     16.74974     13.72104        -0.758949      3.682173     -1.776886
      0.28727     18.37186     12.53807         2.084993      0.176395      1.465471
      2.65582      1.12317     14.95343        -0.588826     -0.592296      0.097521
      1.83885      2.11723     14.36989         0.135954     -0.517240     -0.024029
      2.04200      3.46718     14.62907        -0.126996      0.060446     -0.522975
      3.65915      1.57377     15.83967        -0.234995     -0.356523      0.190588
      3.89965      2.92142     16.09460        -0.525981      0.109204      0.189094
      3.04647      3.83351     15.48245         0.289558      0.801474     -0.108993
      3.01705      5.29252     15.57942         2.293226      1.049682      0.597057
      1.25516      4.71225     14.24144         1.561526     -1.289309     -0.067024
      1.41845      7.19357     14.79265         0.862867      0.145748     -0.030470
      0.17355      7.52952     14.28219         0.131603     -0.121043     -0.878455
     21.01396      8.86026     14.26444        -0.240683     -0.250140     -0.714928
      2.05296      8.28934     15.45413         0.507038      0.774680     -0.879086
      1.60460      9.63939     15.37401         0.500908      0.458590     -0.207920
      0.40655     10.00429     14.70781        -0.094486     -0.267170      0.156599
     20.98477     11.35732     14.67538        -0.276484      0.094714     -0.125095
     19.68386     11.62305     14.16355        -0.465216     -0.433489     -0.421235
     19.25923     12.96337     13.96859        -0.177558     -0.415436      0.281683
      0.36924     12.53572     15.05945         0.161848      0.058710      0.397544
     -0.04618     13.84443     14.99066        -0.261694      0.072372      0.182062
     20.00209     14.10814     14.37439        -0.958626     -0.005609      0.266671
     18.75330     10.46783     13.54406        -1.594140      1.176299      0.020767
      2.40962     10.73021     16.04116         2.346483     -0.487477     -0.699073
     16.19621      0.42208      5.12478        -0.463287     -0.345470     -0.165141
     17.04164      0.92083      6.08098        -0.124001     -0.388622      0.619944
     17.09985      2.28281      6.37595        -0.278690      0.468565      0.297381
     15.29966      1.26641      4.49203        -0.026928      0.066457     -0.014873
     15.33825      2.62975      4.78375        -0.155575      0.655164      0.001291
     16.25582      3.20391      5.69978        -0.165323      0.273079      0.117357
     16.44192     20.20751      4.95148         0.170115      1.961158      1.020543
     17.77776     20.99519      6.65585        -1.603144      0.557115     -1.420446
     16.28437      4.72031      5.95879        -0.117844     -0.244789     -0.077926
     17.17317      5.33451      6.87884        -0.097151     -0.536163     -0.035492
     17.13632      6.71274      7.09484         0.267485      0.203249      0.513706
     15.38813      5.60350      5.28906        -0.073188     -0.725830     -0.196800
     15.36862      6.97765      5.51584        -0.074588      0.145426     -0.134082
     16.25971      7.53226      6.42850        -0.159741      0.288522     -0.161784
     16.46725      8.95172      6.88491         0.107016     -1.761592     -0.251837
     17.87650      7.58347      8.08445        -1.355185     -0.333699     -1.135236
     17.95956     10.11348      8.58524        -0.548265     -0.490719     -0.170316
     18.96158      9.99830      9.52872        -0.289155     -0.084986     -0.106338
     19.48942     11.12670     10.10701         0.206507      0.142168      0.611886
     17.53327     11.43595      8.36733        -0.448057      0.039179      0.070616
     18.02005     12.54643      9.07344        -0.368429      0.536789      0.209521
     19.07301     12.46073     10.02949        -0.375882     -0.260876      0.055669
     19.71575     13.58277     10.81833         0.471264     -0.121238      0.277676
     20.91169     13.54206     11.60575         0.718523     -1.054225      0.204697
      0.30019     14.63226     12.17489        -0.275367     -1.067757     -0.663463
     19.26009     14.89053     10.82547         0.009572      0.357128     -0.156680
     19.86631     16.02416     11.36298         0.387415      0.256940     -0.387091
     21.08101     15.92540     12.00534         1.170933      0.690387      0.701505
      0.34311     12.22765     11.88527         1.095507      0.367284     -0.182054
     17.37743     13.86956      8.77783        -0.717979      0.752206     -1.140745
     20.20964      1.25482      6.18865         0.616494     -0.257199      0.103208
     19.66248      2.29356      5.47179         0.245018      0.557681     -0.477666
     19.78928      3.60866      5.89600         0.301442      0.328982      0.251798
     20.81112      1.49445      7.42165         0.225575     -0.184015      0.112757
     20.92851      2.80437      7.86966         0.172636      0.700362      0.355590
     20.44817      3.91508      7.11266         0.120842      0.120699      0.053630
     19.97028     -0.01931      5.43778        -0.414861      3.107682     -0.244856
     18.94579      1.73124      4.27441         1.265102     -0.086658      1.054717
     20.64603      5.35820      7.54566        -0.172781     -0.707011     -0.084501
     20.23650      6.38553      6.68251         0.068235      0.142301      0.422627
     20.45149      7.71025      7.02045         0.107651      0.134007      0.290611
     -0.02045      5.71592      8.78609        -0.359832     -0.533364     -0.179015
      0.22760      7.03699      9.12379        -0.036565      0.461997     -0.015783
     21.07801      8.01373      8.20519         0.293775      0.847944      0.209629
     21.14943      9.50308      8.29634         1.843307     -0.393517      1.936993
     20.03356      8.99051      6.36771         0.429452     -0.319459      0.080651
     20.24727     11.50791      6.97108         0.583090     -0.240161      0.039161
     19.45211     11.91594      5.91064         0.132389     -0.346794     -0.163127
     19.17539     13.25408      5.73646        -0.164838      0.325971     -0.578584
     20.77232     12.57929      7.74651         0.331676     -0.134957     -0.191458
     20.53237     13.94547      7.46498         0.476164      0.270139      0.065422
     19.65521     14.36884      6.43329         0.056216     -0.268832     -0.091666
     19.13949     15.77521      6.18184         0.067313      0.148942     -0.205921
     18.24847     16.15684      5.15867         0.118105      0.007158     -0.518626
     17.76912     17.47256      5.02833         0.153797      0.204518     -0.010757
     19.41733     16.87900      7.00292         0.592504     -0.126028      0.258397
     18.94126     18.16643      6.95434        -0.125996      0.294460     -0.187160
     18.04912     18.50183      5.94276        -0.379787      0.528131     -0.032407
     17.79171     15.16826      4.12659        -0.787974      0.634332     -1.437705
     -0.03336     14.99737      8.29935         1.351665      0.107167      0.830449
     12.26568      5.31551      4.00612         0.527745     -0.272007      0.159315
     12.90766      3.74594     20.59768         0.078313     -0.161446     -0.132200
     13.01447      6.13201     21.10644        -0.148134     -0.351891      0.160226
     12.43038      7.48063      4.33531         0.274302      0.079341      0.285226
     13.25348      7.90724      0.13121        -0.060346      0.293916      0.298237
     13.54995     10.32215      0.41832         0.036526      0.127797     -0.110856
     13.02789     13.63303      8.45362        -0.024748     -0.172933      0.441879
     12.74734     11.85053      7.14188         0.571900     -0.083149     -0.045800
     13.92189     14.28711      3.82041         0.553670     -0.104014     -0.371453
     13.03191     17.13848     11.33007        -0.212957     -0.070956      0.371523
     14.43091     17.80946      6.80373         0.644394     -0.027809     -0.124331
     14.69250     19.57425      8.19832        -0.049180     -0.259739      0.295143
     10.23217      6.83927      3.37078        -0.099271      0.102795     -0.308796
      9.35574      3.46830      6.87333         0.185573     -0.240967      0.113060
      9.52244      5.83708      7.51827         0.165085     -0.198633     -0.319271
     10.64776      8.68269      3.94735        -0.477735      0.165957     -0.510844
      9.62486      7.71530      8.00430         0.222931      0.269586     -0.106300
      9.88526     10.09153      8.63112         0.074319      0.094368      0.011617
     12.29128     15.81453      2.48999        -0.024895     -0.190735      0.316853
     11.77935     13.66419      2.92477        -0.367286      0.102750      0.270781
     10.82564     14.87356      6.93438        -0.404195     -0.012132      0.278476
     12.60214     20.20244      1.12153         0.666444      0.085103     -0.221362
     11.70343     19.18833      5.67646        -0.093605      0.166795     -0.190332
     11.81390      0.12357      5.18967         0.092495      0.083194     -0.180244
      9.69485      9.32486     17.18802         0.412551     -0.277442      0.271869
     10.09793      7.77856     12.49242         0.156756     -0.199354      0.075292
     10.29159     10.16734     13.01556        -0.186974     -0.475196      0.264554
      9.82069     11.40123     17.60650         0.325242      0.080805      0.210789
     10.55879     12.02723     13.39633        -0.066871      0.244499      0.314339
     10.82381     14.43264     13.80168        -0.059884      0.135025     -0.121264
      9.81244     17.72394      0.51562        -0.539954     -0.151887      0.057037
      9.96374     15.86659     20.61326         0.015899     -0.036158     -0.251516
     10.68494     18.35031     17.20105         0.741098     -0.087156     -0.680583
      9.70810     -0.00257      3.39893        -0.608470      0.132600      0.597651
     10.85152      0.75606     20.11620         0.882388      0.184208      0.090386
     10.58515      2.60219      0.11602        -0.341089      0.001700      0.036494
      7.81452     10.59251     16.12197        -0.458039      0.030954     -0.246777
      6.90704      7.23970     19.65433         0.096573     -0.040406      0.023127
      6.92146      9.62832     20.23012         0.290485     -0.206082     -0.245321
      7.94143     12.65798     16.72246        -0.426664      0.224470     -0.457757
      6.77497     11.45953     20.67396         0.322309      0.322008     -0.201857
      6.76833     13.80078      0.09944         0.262994      0.030641      0.308194
      9.51011     19.90413     15.93727        -0.345937     -0.058118      0.186893
      8.92767     17.75662     16.14931        -0.454970      0.075470      0.311418
      7.25529     18.83613     19.97928        -0.195573     -0.094836      0.196542
      9.41818      3.01920     14.34264         0.469028      0.009382     -0.417752
      8.53228      2.03289     18.96760        -0.092205      0.075374     -0.284738
      8.80169      4.23273     18.42845         0.318538     -0.270422     -0.451570
      6.81394     13.03699      8.71244        -0.052599     -0.117960      0.260561
      7.54839     11.33936      4.08609        -0.005862     -0.107677     -0.068295
      7.80771     13.73540      4.56303        -0.189062     -0.359615      0.294016
      6.81517     15.14493      8.99740        -0.027926      0.113278      0.279912
      8.05696     15.55142      4.87884        -0.127083      0.311757      0.413433
      8.19692     17.96690      5.15464        -0.159043      0.130208     -0.167393
      6.24712      0.29481     12.80348        -0.355168     -0.246308      0.235123
      6.53218     19.66612     11.67691         0.625727     -0.194436      0.018152
      8.08744      0.78570      8.51746         0.258973      0.118358     -0.739092
      6.65516      3.74987     15.96441        -0.402497      0.223134      0.573603
      8.00141      4.43040     11.48340         0.836190      0.348939     -0.262532
      7.96660      6.24406     12.77505        -0.060269      0.443424     -0.155686
      3.60019     14.45451      9.13892        -0.097816     -0.100052     -0.282625
      4.56956     11.29654     12.85615        -0.011237     -0.111511     -0.035834
      4.66518     13.72300     13.26089        -0.063016     -0.312364     -0.431964
      3.98949     16.41951      9.41974        -0.226913     -0.392423     -0.897972
      4.60726     15.64421     13.63400         0.206404      0.145564     -0.290055
      4.93438     18.05139     13.98264         0.461227      0.045685     -0.326388
      5.45267      2.33765      7.41781        -0.131036     -0.174963      0.135838
      4.95806      0.20191      7.97786        -0.062186      0.140731      0.290387
      4.53281      1.56674     12.03443        -0.473106     -0.078088      0.324841
      6.70601      6.61571      6.02699         0.367999      0.112363     -0.288437
      5.44516      5.89426     10.52228         0.071598      0.160029      0.078548
      5.82518      8.02404      9.99115         0.350689     -0.293984     -0.413029
      2.09859     16.46814      3.19402         0.073779     -0.076681      0.251610
      0.50660     14.96289     20.01525        -0.212369     -0.243260      0.106435
      0.54257     17.31550     20.48362         0.063943     -0.659882      0.615392
      1.81175     18.74953      3.55884         0.162230     -0.024223      0.350368
      0.25331     19.02048     20.77447         0.184381      0.180968      0.481315
      0.03904      0.17916     21.01192        -0.077959      0.009277     -0.124892
      2.58645      3.87075      6.96131        -0.131200     -0.191812      0.461290
      2.35652      2.00815      5.90654        -0.098825     -0.003284     -0.176270
      0.78062      4.33062      2.66562        -0.539597     -0.011536     -0.501105
      3.75719      7.52523      9.45681        -0.087626      0.041025      0.470687
      1.89698      8.19755      5.12650        -0.642627      0.680881     -0.503363
      2.50195     10.07533      6.24020         0.025049     -0.046269      0.335922
      3.25573     17.03935     21.11839         0.272195     -0.040922     -0.480150
      6.04545     13.79502      2.34687        -0.135640     -0.030288      0.148010
      6.07483     16.15156      2.98973        -0.250674     -0.210461     -0.314066
      3.39741     19.24199      0.47419         0.034531      0.183251     -0.220976
      6.18369     17.98008      3.52552        -0.238972      0.358697     -0.150825
      6.40730     20.29964      4.28295        -0.009090     -0.026494      0.024429
      1.94398      5.48539      0.47996        -0.148023     -0.117616      0.198513
      2.39700      3.36954      0.42932         0.286514     -0.040408      0.347067
      4.80115      3.97131      3.93176         0.240999     -0.142501      0.216114
      1.59442     10.26899     21.12157        -0.641565     -0.030592      0.161749
      4.08735      8.66830      3.57893         0.816065      0.376779      0.118791
      3.71141     10.89333      3.56491        -0.293860     -0.375733     -0.629593
     20.47160     19.56649     14.66585         0.033638     -0.193558      0.639975
     16.60384     17.82337     12.10535        -0.039401     -0.133884     -0.128466
     16.90279     20.24996     12.38416         0.228598     -0.397546      0.112747
     20.67410      0.29805     14.96075         0.086459      0.114431      0.355517
     16.96600      0.84037     12.81602         0.221715      0.213603      0.267284
     16.99522      3.23777     13.36808        -0.260446      0.253184     -0.160621
      2.53179      6.69211     17.24511         1.807846     -0.181452      0.425778
      1.50418      4.70779     16.96388        -0.388502     -0.329636      0.426053
     19.37418      7.09664     15.93217        -0.431045     -0.084753      0.094758
      4.40768     10.04764     20.26339         0.084654      0.008566     -0.360023
      0.21132     10.64546     18.11792         0.032012      0.245399      0.738424
      1.30352     12.53817     18.67514        -0.290993      0.384337      0.562853
      0.71902     21.15379     13.43657        -0.121517     -0.012272     -0.520535
      3.75234     17.77590     15.37907        -0.160358     -0.068226      0.405271
      4.24834     20.16763     15.71264        -0.491907     -0.190019     -0.098473
      0.96266      1.79779     13.85143        -0.475163     -0.034330     -0.874012
      4.43396      0.87058     16.13970        -0.700460     -0.064773      0.668279
      4.76884      3.25238     16.66458        -0.324459     -0.032820      0.213027
     20.05103      8.92991     13.83667        -0.097408     -0.140863     -0.081020
     20.75334      6.78681     13.84795         0.339743      0.175852     -0.010749
      2.87842      8.12421     16.12527         0.756536      0.026350     -0.586168
     18.38202     13.11332     13.36750        -0.545541      0.046467      0.062950
      1.33827     12.49785     15.47000         0.304313      0.239845     -0.606777
      0.64971     14.61308     15.31705        -0.250636      0.009220      0.042979
     17.83369      2.67361      7.06884        -0.076801     -0.193043      0.466897
     14.55778      0.86859      3.81572        -0.032885     -0.095208     -0.301837
     14.61070      3.28612      4.28190         0.324741     -0.278976      0.134897
     17.89158      4.70716      7.39444         0.095549      0.068158      0.329632
     14.67799      5.17658      4.55759         0.287975      0.323545      0.305879
     14.66338      7.60177      4.97938        -0.085058      0.128776     -0.083826
     20.33183     10.86775     10.68995         0.085171     -0.129251     -0.338042
     19.48688      9.07232      9.73404        -0.493258     -0.177443      0.185336
     16.77235     11.61480      7.63959        -0.512435      0.141184     -0.465497
      1.07927     14.35348     12.85387         0.672041      0.357452     -0.053480
     18.47341     15.16123     10.18810        -0.923212      0.249573      0.141896
     19.45750     16.99220     11.11599        -0.130599      0.206354     -0.062723
     19.35982      4.40093      5.30093        -0.141651      0.139014     -0.301448
     21.16125      0.67260      8.04818         0.088980     -0.031082     -0.112034
      0.20282      2.99571      8.82131        -0.417820     -0.200761     -0.421673
     19.72146      6.17788      5.78107        -0.397527     -0.271157     -0.936778
      0.31925      4.92555      9.46364        -0.511480      0.364312      0.002371
      0.72316      7.27429     10.07707        -0.216716      0.138551     -0.304292
     18.51964     13.38996      4.91986        -0.160383     -0.210171     -0.069163
     19.02966     11.21817      5.18608         0.035262     -0.024475      0.239645
      0.10363     12.35383      8.61621         0.487395     -0.103372      0.126513
     17.06761     17.66778      4.24538        -0.084181      0.132252     -0.571899
     20.07535     16.77951      7.81968         0.194179      0.140906     -0.025178
     19.36285     18.88652      7.65726        -0.360209     -0.051748     -0.033664
     14.04066     19.29306     10.61128        -0.157847      0.194328      0.451756
     18.69306     20.93394      3.73058         0.585852      0.516178      0.310501
     12.44927      1.20997      2.70952         0.362458     -1.025948      0.131913
     13.38807     11.64313      4.47424         0.814115      1.491465      0.558431
      9.89085      2.62735      2.82047        -0.550173     -0.604021     -0.647114
     10.80636     12.66398      5.33067        -0.479054      0.491380      0.490326
      9.56456      5.22804     15.89543         0.436806     -0.596201      0.574426
     10.41679     15.66573     17.86938         0.691416      0.834523     -0.111469
      7.15192      6.40032     15.49687        -0.352394     -0.007811     -0.340333
      7.73046     16.60281     18.36556        -0.400204      0.902756     -0.266013
      6.53239      8.95846      7.45108        -0.069034     -0.918235      0.390296
      7.36802     19.41538      9.06224         0.299566      0.508604      0.809811
      3.48849     10.17542      8.88803        -0.189776     -0.494885     -0.559955
      4.44400     20.50012     10.55305        -0.382730      0.138679     -0.164634
      2.27405     12.34194      1.58797        -0.223323      0.298174      0.455005
      1.34168      1.73420      3.40858         0.099923      0.584063      0.623209
      3.62061     12.74729     20.28389        -0.106581     -0.299891     -0.267407
      4.07787      1.92382      2.19822         0.019865      0.221208     -0.326854
     19.57035     15.45765     14.12356        -1.008656     -0.669966      0.110992
     20.17669      4.46926     15.86151         0.299235      0.560476      0.765014
      0.53287     17.00320     12.63843         0.634972     -1.032551     -0.126635
      1.90747      5.83319     14.79675         1.082208      0.226602     -0.134960
     17.45867     19.83849      5.85467         0.068835     -0.761214      0.214433
     17.48861      8.94958      7.84869         0.184749      0.434345      0.737331
     19.17545      0.35597      4.34612        -0.047145     -0.504652     -1.067478
     20.49208     10.08541      7.18962         0.592853      0.453998      0.362942
     12.04871      2.36727      4.74171         0.142360     -0.496648      2.303833
     12.89888      1.00341      0.41100         1.361538     -1.845469     -1.944708
     12.85834      9.93443      6.02441         0.513216     -0.471502      2.504633
     13.71624     12.61389      2.33625         0.675149      2.776579     -1.609712
     10.17350      4.51635      1.41709        -0.443293      0.645922     -2.452034
      9.41683      1.44531      4.84314        -0.201544     -0.225149     -0.185190
     11.01565     11.55551      3.25742        -0.793139      0.317139     -0.321366
     10.32579     12.86006      7.64153        -0.356827      1.524198      1.707857
      9.36807      6.42057     17.92014         0.328338     -0.397118      2.450941
      9.87628      5.00392     13.57158         1.617031     -0.272312      0.712357
      9.99608     13.87169     19.38454         0.370868     -0.289092      2.194257
     10.78359     16.65460     15.71582         0.465592      1.731349     -0.716531
      7.56505      8.30001     14.15697        -0.446656      0.731030     -2.173412
      6.84059      5.21847     17.51385        -0.842329     -1.989714      0.904998
      8.22438     15.61619     16.27038        -0.516612      0.641585     -1.596604
      7.12203     16.64198     20.62490        -0.501733      1.619435      2.086114
      6.37075     10.17284      9.46057        -0.088222     -0.313177      2.527709
      7.02365      8.65196      5.18717         0.273712     -1.230010     -1.081159
      6.76712     17.69491     10.55847        -0.107321     -0.429883      2.841573
      8.07961     20.30456      7.03293         0.494075      1.935930     -1.049223
      3.07626     12.00063      7.44697        -0.567244      0.386634     -1.990397
      4.06935      9.11163     10.90382         0.072096     -2.210623      1.156785
      4.25345     19.26870      8.53752        -0.020579      0.371952     -1.089653
      4.66375     20.66803     13.00865        -0.929265     -2.603883     -5.511696
      2.96381     13.41516      3.60960         1.435444     -0.496639      3.073764
      0.86413     12.26461     20.96237        -0.859089     -0.700563     -0.151283
      2.12321      0.12162      4.96799         0.991272     -0.283711      2.100035
      0.48055      2.54596      1.40285        -0.835639      1.527718     -0.888559
      2.51891     14.52903     19.25689        -1.578238      1.185738     -3.189757
      4.98181     11.66203      0.58345         0.990816     -1.980914      0.814123
      2.85662      1.01702      0.39424        -1.271546      0.865038     -2.386354
      5.65947      1.85511      3.91147         1.001715      1.053012      1.062665
     -0.01358     16.72185     15.19306        -0.761853     -0.299045      0.888315
     17.58905     15.07637     12.86674        -2.336982     -2.101617     -0.717528
      0.43547      2.74994     16.35506         1.573829     -0.492361      2.252933
     18.39134      5.46147     14.70850        -0.669342      1.557313     -0.218728
     20.71856     18.95442     11.89093        -1.013591      0.555270     -1.982917
      2.15709     15.72711     13.96161         1.054573     -2.598693      0.600853
      0.24032      4.69041     13.58992        -1.071988      0.410505     -1.247378
      3.85685      5.93590     16.24612        -1.199721     -0.703386     -1.789687
     18.51537     21.06226      7.58590         1.108254     -0.582580      2.514900
     15.86872     19.51550      4.16501        -0.930583     -1.653803     -1.629120
     18.60785      7.17114      8.93061         0.646159     -0.358964      2.110727
     15.85091      9.90009      6.49793        -0.955968      1.968845     -0.667515
     18.30974      2.31364      3.44045        -0.878684      0.695550     -1.354105
     20.29422     20.14036      5.72089         1.599446     -3.130496      0.222721
     19.42875      9.08674      5.32551        -0.633031      0.344670     -0.733566
      0.48425     10.03347      9.26171        -0.560237     -0.184181     -2.185820
     13.53296     17.67632      5.36758         0.847309     -0.883054     -0.346172
     15.51965     16.94076      5.55670         0.556377     -0.838484      0.257117
     14.43420     16.53850      3.74674         0.172399     -0.492396      0.394280
     11.94430     15.08531     11.18990         0.319220      0.878179      0.525738
     11.47708     14.57850      9.20606         0.085966     -0.179684     -0.189938
     13.45789     13.97877     10.17082         0.052684     -0.388984      0.066960
     11.96573     18.29770      7.18791         0.286132     -0.321071     -0.183854
     10.05932     18.40912      6.26194        -0.385653      0.101049     -0.120019
     10.47895     16.93657      7.81583        -0.208887     -0.575814     -0.381024
     12.88460     18.11555      0.17075         0.371299      1.072490     -0.076813
     13.79828     16.75698      1.57206         0.314256      0.336529     -0.068860
     11.74910     16.54568      0.98117        -0.204507      0.507357      0.517265
      9.96580      0.40633     18.73231         1.009591     -0.847876     -0.300279
     12.05476      0.00285     18.74479         0.790130     -0.765859      0.484730
     10.94539     20.72146     17.01966         0.736733     -0.496787      0.643089
      9.30556     19.08881      3.52447        -0.510884      0.705143     -0.404864
      8.34417     18.48134      1.66301        -0.928338      0.314207     -0.064409
     10.41850     18.12989      1.99141        -0.799331     -0.438898      0.393618
      8.25160      0.83844     20.51260        -0.030087     -0.304153     -0.554509
      6.62818      1.24738     19.17434        -0.814911     -0.194537     -0.416413
      6.48760     20.94177     20.67853        -0.200496     -0.626844     -0.352709
      9.09834      0.88493     13.38084        -0.350156      0.254437      0.063172
     10.37217     21.01871     14.58872         0.146160      0.126015      0.674923
      8.22373     20.37757     14.60124         2.420447      1.568804     -1.008008
      7.46169      4.10602      9.90101         0.788650     -0.391404      0.169730
      9.42166      3.54109     10.45412         1.066335     -0.872520      0.229803
      8.63173      3.00338      8.51585         0.429867     -0.817670      0.340448
      6.29874      1.54642     16.04863        -1.051548      1.382746      0.330353
      5.04752      1.48873     14.14225         0.276488      0.394869     -0.256153
      6.90230      0.58904     14.38510         1.044048     -2.661324     -1.049357
      5.83465      4.95394     11.87290         0.137476      0.138102     -0.170052
      3.78286      5.11040     11.66104        -0.923644     -0.825922      0.333272
      4.59423      3.60230     12.95542        -0.459574     -0.355635     -0.877425
      6.77226      4.37840      5.13687         0.839729      0.262927      0.248672
      7.10291      2.98213      6.71436         0.001720     -0.079021     -0.020292
      5.10723      3.31262      5.92794        -0.250753      0.727483      0.453007
      0.08031      7.45631      4.56024        -0.482273     -0.880735     -0.256503
      1.87616      7.60565      3.45599        -1.283693     -0.631406      0.314997
      0.19540      6.53724      2.59490        -0.043684     -0.480293      0.675586
      3.57087      5.37582      9.57827         0.373176      0.593832      1.577262
      2.07098      4.41401      8.58016        -0.426321     -0.054002     -0.100483
      3.98617      4.49539      7.57782        -0.754983      0.834695      0.969830
      5.63588      7.35715      3.54305         0.501457     -0.841039     -0.260922
      3.86108      7.44747      4.76740         0.850188     -0.694209     -0.859961
      5.12169      5.82314      5.07545        -0.441995      0.008257     -0.855375
      1.20343      8.12369     20.08130        -0.324709      0.231529      0.954619
      2.86115      6.95360     -0.32220        -0.827263     -1.076879      1.320177
      0.68354      6.77825      0.24524         0.496667      0.137888      1.095106
     19.81146      9.66776     18.54445        -0.695353     -0.732445      0.467799
     20.50994     10.49527     16.71400        -0.295623     -0.123795      0.232560
     18.86122      9.19259     16.63256        -1.535747     -0.725012      0.330512
      4.67487      7.74351     19.95053         0.508656      0.939800      0.012806
      3.07664      6.64350     19.08151         0.880154      0.206817     -3.467486
      4.47484      7.72717     17.79617        -0.326618      0.456648     -0.170363
      3.07047     11.55217     15.14055         0.101172     -0.136477     -1.019683
      1.77974     11.61766     16.82005        -0.074384      0.223390     -0.373365
      3.45385     10.28470     16.80662         0.324351     -0.431780     -0.701012
     17.60814     11.02685     13.04240        -0.148683      0.606506      0.142182
     19.11335      9.63354     12.49221         0.301261      0.473277      0.047395
     18.33407      9.60877     14.49965        -0.409749      0.123002      0.071345
     16.74365     14.42665      9.84048        -0.821878     -0.395960      0.534785
     18.24529     14.86730      8.36123        -0.556693     -0.428920      0.421605
     16.45904     13.86865      7.75980        -0.142074     -0.717741      0.130714
      1.33000     12.16602     12.85460         0.057642      0.788338     -0.934854
     20.71312     11.28794     12.25582         1.156830     -0.453924     -0.468339
      0.98010     11.77512     10.77269         0.168153      0.295345     -0.095304
      0.65667     15.94818      7.59111         0.536790     -0.563424     -0.767071
     20.43831     15.77747      9.11143         0.350680     -0.388600     -0.419678
      0.88181     14.50121      9.20048         0.151833     -0.563076     -0.602606
     17.08587     15.67730      3.07880        -0.269365      1.066703     -0.139636
     18.83635     14.56636      3.47337         0.353800     -0.231497     -0.003913
     16.90798     14.23029      4.61276         0.043073     -0.178338      0.248016
 -----------------------------------------------------------------------------------
    total drift:                                0.000289      0.012701     -0.019446


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4511.9596917148 eV

  energy  without entropy=    -4512.1272207314  energy(sigma->0) =    -4512.01553472
 
 d Force = 0.1419189E+02[ 0.275E-01, 0.284E+02]  d Energy = 0.1369242E+02 0.499E+00
 d Force =-0.1725422E+04[-0.183E+04,-0.162E+04]  d Ewald  =-0.1725389E+04-0.324E-01


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   16(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3184
 total energy-change (2. order) : 0.9936410E+01  (-0.5816581E+03)
 number of electron    2498.0000154 magnetization 
 augmentation part      163.3267153 magnetization 

  free energy =  -0.450202327539E+04  energy without entropy=  -0.450216576694E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   16(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) :-0.1821632E+02  (-0.2173264E+02)
 number of electron    2498.0000155 magnetization 
 augmentation part      163.7217661 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7249
  0.7249

  free energy =  -0.452023959741E+04  energy without entropy=  -0.452038285620E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   16(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3760
 total energy-change (2. order) : 0.8579702E+00  (-0.5080584E+00)
 number of electron    2498.0000154 magnetization 
 augmentation part      163.4851556 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2294
  1.2294  1.2294

  free energy =  -0.451938162723E+04  energy without entropy=  -0.451952403873E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   16(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3608
 total energy-change (2. order) : 0.3592935E+00  (-0.3665727E+00)
 number of electron    2498.0000153 magnetization 
 augmentation part      162.9976050 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2173
  1.8780  0.9788  0.7952

  free energy =  -0.451902233372E+04  energy without entropy=  -0.451916214717E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   16(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3632
 total energy-change (2. order) :-0.2156426E-01  (-0.6364060E-01)
 number of electron    2498.0000153 magnetization 
 augmentation part      163.0630948 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3273
  2.2929  1.0239  1.0239  0.9686

  free energy =  -0.451904389798E+04  energy without entropy=  -0.451918371646E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   16(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) : 0.2610921E-01  (-0.3803214E-01)
 number of electron    2498.0000153 magnetization 
 augmentation part      163.1229920 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2730
  2.3337  0.9548  0.9548  1.0609  1.0609

  free energy =  -0.451901778878E+04  energy without entropy=  -0.451915686187E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   16(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3664
 total energy-change (2. order) :-0.3509649E-02  (-0.6443535E-02)
 number of electron    2498.0000153 magnetization 
 augmentation part      163.1478352 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2912
  2.4091  1.1533  1.1533  1.0650  1.0650  0.9013

  free energy =  -0.451902129843E+04  energy without entropy=  -0.451916068332E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   16(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) :-0.8918820E-03  (-0.1381448E-02)
 number of electron    2498.0000153 magnetization 
 augmentation part      163.1608301 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2594
  2.4002  1.2059  1.0931  1.0971  1.0971  0.9611  0.9611

  free energy =  -0.451902219031E+04  energy without entropy=  -0.451916086876E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   16(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3608
 total energy-change (2. order) :-0.9829087E-03  (-0.2513010E-03)
 number of electron    2498.0000153 magnetization 
 augmentation part      163.1513283 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3003
  2.5520  1.8609  1.0470  1.0470  1.0879  0.8736  0.9671  0.9671

  free energy =  -0.451902317322E+04  energy without entropy=  -0.451916212982E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   16(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) :-0.7025018E-03  (-0.1077143E-03)
 number of electron    2498.0000153 magnetization 
 augmentation part      163.1498936 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2742
  2.6271  1.9503  1.0818  1.0818  0.9062  0.9062  1.1354  0.9804  0.7987

  free energy =  -0.451902387572E+04  energy without entropy=  -0.451916233548E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   16(  11)  ---------------------------------------



 eigenvalue-minimisations  :  3624
 total energy-change (2. order) :-0.5416110E-03  (-0.5501288E-04)
 number of electron    2498.0000153 magnetization 
 augmentation part      163.1517738 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2659
  2.6131  2.0472  1.0053  1.0053  0.9790  0.9790  1.2724  1.1781  0.8989  0.6808

  free energy =  -0.451902441733E+04  energy without entropy=  -0.451916303857E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   16(  12)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) :-0.4944033E-03  (-0.1086144E-04)
 number of electron    2498.0000153 magnetization 
 augmentation part      163.1519503 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3096
  2.7891  2.3916  1.6307  1.0498  1.0498  1.1914  0.9249  0.9249  0.8988  0.8988
  0.6557

  free energy =  -0.451902491173E+04  energy without entropy=  -0.451916335880E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   16(  13)  ---------------------------------------



 eigenvalue-minimisations  :  3384
 total energy-change (2. order) :-0.4978224E-03  (-0.1250335E-04)
 number of electron    2498.0000153 magnetization 
 augmentation part      163.1520560 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3426
  3.1105  2.5284  1.5680  1.4322  1.0276  1.0276  0.9798  0.9798  0.9716  0.9716
  0.8654  0.6484

  free energy =  -0.451902540956E+04  energy without entropy=  -0.451916379860E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   16(  14)  ---------------------------------------



 eigenvalue-minimisations  :  3568
 total energy-change (2. order) :-0.2680303E-03  (-0.6265463E-05)
 number of electron    2498.0000153 magnetization 
 augmentation part      163.1520915 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3716
  3.8259  2.5588  1.6289  1.6289  1.0341  1.0341  1.0326  1.0326  0.8833  0.8833
  0.9298  0.6932  0.6651

  free energy =  -0.451902567759E+04  energy without entropy=  -0.451916401925E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   16(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2528
 total energy-change (2. order) :-0.1434671E-03  (-0.1782010E-05)
 number of electron    2498.0000153 magnetization 
 augmentation part      163.1519773 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3889
  4.1481  2.5646  1.8501  1.4089  1.0387  1.0387  1.0597  1.0597  0.9578  0.9578
  0.9594  0.9594  0.7870  0.6544

  free energy =  -0.451902582105E+04  energy without entropy=  -0.451916414301E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   16(  16)  ---------------------------------------



 eigenvalue-minimisations  :  2360
 total energy-change (2. order) :-0.7392975E-04  (-0.8748463E-06)
 number of electron    2498.0000153 magnetization 
 augmentation part      163.1517928 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4383
  4.6730  2.6237  2.1625  1.0462  1.0462  1.3566  1.3566  1.1429  1.1429  0.9285
  0.9285  0.9130  0.9130  0.6703  0.6703

  free energy =  -0.451902589498E+04  energy without entropy=  -0.451916420555E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   16(  17)  ---------------------------------------



 eigenvalue-minimisations  :  2368
 total energy-change (2. order) :-0.6611136E-04  (-0.5401575E-06)
 number of electron    2498.0000153 magnetization 
 augmentation part      163.1517341 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4917
  5.1973  2.7127  2.4961  1.7637  1.0447  1.0447  1.1533  1.1533  1.2086  0.9610
  0.9610  0.9505  0.9505  0.8939  0.7250  0.6505

  free energy =  -0.451902596109E+04  energy without entropy=  -0.451916427145E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   16(  18)  ---------------------------------------



 eigenvalue-minimisations  :  2328
 total energy-change (2. order) :-0.2822882E-04  (-0.2961147E-06)
 number of electron    2498.0000153 magnetization 
 augmentation part      163.1517341 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5230
  5.6089  2.9889  2.5679  1.9088  1.3221  1.3221  1.0485  1.0485  1.1760  0.9389
  0.9389  0.9459  0.9459  0.9127  0.8631  0.6517  0.7024

  free energy =  -0.451902598932E+04  energy without entropy=  -0.451916429606E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   16(  19)  ---------------------------------------



 eigenvalue-minimisations  :  2280
 total energy-change (2. order) :-0.1436111E-04  (-0.1737833E-06)
 number of electron    2498.0000153 magnetization 
 augmentation part      163.1518102 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5385
  5.7393  3.2060  2.5510  1.9453  1.5663  1.0451  1.0451  1.2462  1.2462  1.0416
  1.0416  0.9199  0.9199  1.0284  0.8905  0.8905  0.7217  0.6485

  free energy =  -0.451902600368E+04  energy without entropy=  -0.451916431122E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   16(  20)  ---------------------------------------



 eigenvalue-minimisations  :  2240
 total energy-change (2. order) :-0.5242618E-05  (-0.7467636E-07)
 number of electron    2498.0000153 magnetization 
 augmentation part      163.1518102 magnetization 

  free energy =  -0.451902600893E+04  energy without entropy=  -0.451916431653E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.9383       2 -56.1332       3 -55.9882       4 -55.7607       5 -55.7887
       6 -56.2917       7 -57.8672       8 -58.2492       9 -56.3301      10 -56.0197
      11 -56.1043      12 -55.8441      13 -55.8055      14 -56.0259      15 -57.9586
      16 -58.1907      17 -56.3928      18 -54.9524      19 -54.6294      20 -55.1716
      21 -55.5884      22 -55.5068      23 -55.5067      24 -55.5666      25 -54.9885
      26 -54.5709      27 -54.8111      28 -54.9156      29 -60.4512      30 -60.5287
      31 -55.6809      32 -55.8866      33 -55.7373      34 -55.3077      35 -55.5626
      36 -56.0297      37 -57.8403      38 -58.0645      39 -56.0561      40 -55.6883
      41 -55.9023      42 -55.7207      43 -55.7405      44 -55.8522      45 -57.9050
      46 -58.3393      47 -56.5718      48 -55.2147      49 -54.8986      50 -55.3259
      51 -55.9295      52 -55.7843      53 -55.5909      54 -55.8261      55 -55.1032
      56 -54.6551      57 -54.9299      58 -56.4203      59 -60.6125      60 -60.7280
      61 -55.8256      62 -55.9661      63 -55.8393      64 -55.6659      65 -55.7145
      66 -56.1576      67 -58.0532      68 -57.9977      69 -56.2125      70 -55.8921
      71 -56.0284      72 -55.7151      73 -55.6343      74 -55.8968      75 -58.0023
      76 -58.2426      77 -56.5504      78 -55.0759      79 -54.7044      80 -55.3376
      81 -55.7747      82 -55.7296      83 -55.6340      84 -55.7125      85 -55.0786
      86 -54.8062      87 -55.0122      88 -56.5006      89 -60.7086      90 -60.6862
      91 -55.5539      92 -55.6800      93 -55.5412      94 -55.2684      95 -55.3521
      96 -55.8766      97 -57.7622      98 -57.9366      99 -55.9936     100 -55.7242
     101 -55.8670     102 -55.4828     103 -55.4844     104 -55.7656     105 -57.8844
     106 -58.2108     107 -56.5345     108 -55.0874     109 -54.9375     110 -55.3013
     111 -55.8574     112 -55.7631     113 -55.6730     114 -55.8413     115 -55.2707
     116 -54.8069     117 -54.9582     118 -56.4252     119 -60.5967     120 -60.5600
     121 -55.8938     122 -55.9748     123 -55.8138     124 -55.7416     125 -55.7628
     126 -56.1514     127 -57.8985     128 -58.0784     129 -56.0877     130 -55.7617
     131 -55.9055     132 -55.6303     133 -55.5530     134 -55.7965     135 -57.8263
     136 -58.0036     137 -56.4962     138 -55.0207     139 -54.7012     140 -55.2737
     141 -55.7863     142 -55.8072     143 -55.6932     144 -55.6448     145 -55.1772
     146 -54.8714     147 -55.1267     148 -56.4612     149 -60.6675     150 -60.7361
     151 -55.5540     152 -55.6485     153 -55.5113     154 -55.3340     155 -55.4047
     156 -55.8432     157 -57.6810     158 -57.7722     159 -55.9594     160 -55.6437
     161 -55.8887     162 -55.5399     163 -55.5804     164 -55.7846     165 -57.9175
     166 -58.2246     167 -56.6428     168 -55.2459     169 -54.8362     170 -55.4253
     171 -55.9216     172 -55.8863     173 -55.8744     174 -55.8301     175 -55.1969
     176 -54.6988     177 -54.9858     178 -56.4303     179 -60.6267     180 -60.6751
     181 -55.7709     182 -56.0074     183 -55.8090     184 -55.5258     185 -55.5757
     186 -56.1618     187 -57.9473     188 -57.9952     189 -56.1541     190 -55.7640
     191 -55.9219     192 -55.6856     193 -55.5804     194 -55.8215     195 -57.8879
     196 -58.0531     197 -56.4360     198 -54.8508     199 -54.6267     200 -55.1604
     201 -55.7447     202 -55.6834     203 -55.7264     204 -55.7313     205 -55.2169
     206 -54.9149     207 -55.0615     208 -56.4732     209 -60.7472     210 -60.6200
     211 -55.9071     212 -56.0628     213 -55.7897     214 -55.6821     215 -55.6397
     216 -56.1611     217 -58.1607     218 -58.1510     219 -56.1156     220 -55.7517
     221 -55.8893     222 -55.5791     223 -55.4612     224 -55.7539     225 -57.8089
     226 -58.0683     227 -56.4522     228 -54.9236     229 -54.8218     230 -55.1066
     231 -55.6291     232 -55.8138     233 -55.8334     234 -55.6153     235 -55.2480
     236 -54.7925     237 -55.0164     238 -56.5138     239 -60.4790     240 -60.5249
     241 -55.9109     242 -55.9034     243 -55.7685     244 -55.7021     245 -55.7424
     246 -56.1143     247 -57.8639     248 -58.3057     249 -56.2377     250 -55.9455
     251 -56.0791     252 -55.8097     253 -55.7828     254 -55.9774     255 -57.9352
     256 -58.1708     257 -56.6257     258 -55.2419     259 -54.9407     260 -55.3937
     261 -55.8494     262 -55.9742     263 -55.8675     264 -55.8007     265 -55.3626
     266 -54.8709     267 -55.2218     268 -56.5015     269 -60.5646     270 -60.5896
     271 -55.9286     272 -55.9682     273 -55.7213     274 -55.7719     275 -55.7347
     276 -56.0770     277 -58.2254     278 -58.1655     279 -55.7704     280 -55.5327
     281 -55.6693     282 -55.3689     283 -55.2850     284 -55.5944     285 -57.8559
     286 -58.1418     287 -56.6530     288 -55.2773     289 -54.8798     290 -55.5539
     291 -55.8129     292 -55.7687     293 -55.6689     294 -55.8103     295 -55.0570
     296 -54.7295     297 -54.9072     298 -56.4192     299 -60.6180     300 -60.7121
     301 -55.8524     302 -55.9681     303 -55.8318     304 -55.5925     305 -55.6438
     306 -56.1153     307 -57.9347     308 -58.1312     309 -56.2040     310 -55.8701
     311 -56.0445     312 -55.7582     313 -55.7300     314 -55.9608     315 -57.9596
     316 -58.0707     317 -56.4902     318 -54.9584     319 -54.6887     320 -55.2011
     321 -55.7098     322 -55.7276     323 -55.6689     324 -55.6875     325 -55.0368
     326 -54.9553     327 -55.1453     328 -56.5651     329 -60.5320     330 -60.4268
     331 -55.7979     332 -55.8707     333 -55.6613     334 -55.5645     335 -55.5705
     336 -55.9769     337 -57.7813     338 -57.8914     339 -55.8290     340 -55.5324
     341 -55.7025     342 -55.4348     343 -55.4616     344 -55.6450     345 -57.6526
     346 -57.9682     347 -56.3979     348 -54.8988     349 -54.6570     350 -55.2320
     351 -55.6703     352 -55.5983     353 -55.5402     354 -55.5436     355 -55.0267
     356 -54.4900     357 -54.7970     358 -56.2896     359 -60.3785     360 -60.5346
     361 -39.2388     362 -38.8749     363 -39.0515     364 -39.2526     365 -39.0809
     366 -38.8732     367 -38.6153     368 -38.2737     369 -38.2232     370 -38.2348
     371 -38.4502     372 -38.3053     373 -38.9629     374 -38.5352     375 -38.7977
     376 -39.1848     377 -38.9728     378 -38.8308     379 -38.7018     380 -38.2992
     381 -38.3154     382 -38.1164     383 -38.5709     384 -38.1044     385 -39.0656
     386 -38.9100     387 -38.8432     388 -38.9787     389 -38.8802     390 -38.6860
     391 -38.7759     392 -38.2886     393 -38.4480     394 -38.0036     395 -38.4496
     396 -38.4233     397 -38.8771     398 -38.3215     399 -38.6157     400 -39.0162
     401 -38.6224     402 -38.7938     403 -38.4277     404 -38.2512     405 -38.3495
     406 -38.2856     407 -38.3657     408 -38.1366     409 -38.9235     410 -38.8982
     411 -39.0175     412 -38.8798     413 -38.9051     414 -38.7380     415 -38.6283
     416 -38.5086     417 -38.2690     418 -38.2799     419 -38.5575     420 -38.4714
     421 -38.6710     422 -38.4207     423 -38.5310     424 -38.8444     425 -38.6174
     426 -38.8506     427 -38.5932     428 -38.2536     429 -38.4229     430 -38.2190
     431 -38.8052     432 -38.3576     433 -38.7826     434 -38.8241     435 -38.9651
     436 -38.7532     437 -39.0125     438 -38.6257     439 -38.8351     440 -37.9696
     441 -38.2521     442 -38.0952     443 -38.6853     444 -38.4635     445 -38.8921
     446 -38.9003     447 -38.8669     448 -38.8491     449 -38.7243     450 -38.4749
     451 -38.2784     452 -37.7145     453 -38.2542     454 -38.2129     455 -38.9253
     456 -38.5283     457 -39.1118     458 -38.7720     459 -38.9840     460 -39.2225
     461 -39.0182     462 -38.9266     463 -37.9654     464 -38.5134     465 -38.3949
     466 -38.6118     467 -39.4590     468 -38.2254     469 -39.0146     470 -39.0781
     471 -38.7861     472 -39.0145     473 -38.5566     474 -38.3025     475 -38.7258
     476 -38.3196     477 -38.5349     478 -37.9932     479 -38.5085     480 -38.1072
     481 -39.0430     482 -38.7790     483 -38.9128     484 -39.0520     485 -38.9567
     486 -38.9577     487 -38.4994     488 -38.2275     489 -38.1774     490 -38.0878
     491 -38.3177     492 -38.4772     493 -38.8814     494 -38.6922     495 -38.7351
     496 -38.7664     497 -38.6229     498 -38.4238     499 -38.4691     500 -38.0308
     501 -38.2140     502 -38.0499     503 -38.4585     504 -37.9484     505 -38.3775
     506 -41.7473     507 -71.8000     508 -71.9277     509 -71.8739     510 -71.7323
     511 -71.4223     512 -71.9771     513 -71.7411     514 -71.7086     515 -71.7443
     516 -71.8075     517 -71.5835     518 -71.7750     519 -71.6655     520 -71.8880
     521 -72.0234     522 -71.8425     523 -71.6804     524 -71.7828     525 -72.0033
     526 -71.5505     527 -71.7844     528 -71.8594     529 -71.3176     530 -71.5518
     531 -76.7566     532 -76.2446     533 -76.7576     534 -76.1775     535 -76.4519
     536 -76.3174     537 -77.2692     538 -76.2774     539 -76.4402     540 -77.1899
     541 -76.6813     542 -76.3322     543 -76.4985     544 -76.1942     545 -76.9354
     546 -76.2976     547 -76.5020     548 -76.3854     549 -76.4247     550 -76.2362
     551 -76.1756     552 -76.1113     553 -76.8974     554 -76.1257     555 -76.0916
     556 -76.8810     557 -76.4425     558 -76.3901     559 -76.3541     560 -76.6327
     561 -76.4208     562 -76.2121     563 -77.2571     564 -76.0763     565 -76.8578
     566 -76.3229     567 -76.6693     568 -76.5676     569 -77.0116     570 -76.4234
     571 -76.6264     572 -76.3635     573 -76.4383     574 -76.3812     575 -76.2977
     576 -76.1112     577 -76.6161     578 -75.8306     579 -82.6723     580 -82.1592
     581 -82.8643     582 -82.5775     583 -82.2828     584 -82.2547     585 -82.4306
     586 -82.5021     587 -82.8328     588 -82.4398     589 -82.5333     590 -82.5624
     591 -82.8329     592 -82.3031     593 -82.8320     594 -82.6934     595 -82.1689
     596 -83.3505     597 -82.3212     598 -82.3108     599 -82.7057     600 -82.1908
     601 -82.3660     602 -82.3846     603 -82.8267     604 -82.4392     605 -83.2209
     606 -82.0822     607 -82.2900     608 -83.9979     609 -82.5868     610 -82.2413
     611 -82.8292     612 -82.6225     613 -82.3607     614 -82.2911     615 -82.4393
     616 -82.9569     617 -82.7120     618 -82.9140     619 -82.4269     620 -83.0625
     621 -82.1313     622 -82.6157     623 -83.1720     624 -82.9581     625 -82.7857
     626 -82.1338     627 -82.2170     628 -82.4169     629 -82.8852     630 -82.0308
     631 -83.4263     632 -81.9730     633 -82.3583     634 -82.7978     635 -82.7794
     636 -82.4825     637 -82.3300     638 -82.7613     639 -82.0858     640 -82.4874
     641 -82.5226     642 -82.4026     643 -83.0672     644 -82.3721     645 -82.2754
     646 -82.4632     647 -82.6632     648 -82.4742     649 -82.1626     650 -82.1752
 
 
 
 E-fermi :  -1.2982     XC(G=0):  -6.3482     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -30.6818      2.00000
      2     -29.9740      2.00000
      3     -29.5111      2.00000
      4     -29.4948      2.00000
      5     -29.3733      2.00000
      6     -29.3577      2.00000
      7     -29.3513      2.00000
      8     -29.3231      2.00000
      9     -29.2653      2.00000
     10     -29.1746      2.00000
     11     -29.1122      2.00000
     12     -29.0878      2.00000
     13     -29.0818      2.00000
     14     -29.0615      2.00000
     15     -29.0334      2.00000
     16     -28.8880      2.00000
     17     -28.8278      2.00000
     18     -28.7930      2.00000
     19     -28.7523      2.00000
     20     -28.6830      2.00000
     21     -28.6734      2.00000
     22     -28.6539      2.00000
     23     -28.5878      2.00000
     24     -28.5250      2.00000
     25     -27.4822      2.00000
     26     -27.4711      2.00000
     27     -27.2396      2.00000
     28     -27.2188      2.00000
     29     -27.1756      2.00000
     30     -27.1009      2.00000
     31     -27.1006      2.00000
     32     -27.0908      2.00000
     33     -27.0837      2.00000
     34     -27.0105      2.00000
     35     -26.9546      2.00000
     36     -26.9335      2.00000
     37     -26.8593      2.00000
     38     -26.8372      2.00000
     39     -26.7869      2.00000
     40     -26.7681      2.00000
     41     -26.7261      2.00000
     42     -26.6726      2.00000
     43     -26.6305      2.00000
     44     -26.6242      2.00000
     45     -26.6094      2.00000
     46     -26.5950      2.00000
     47     -26.5455      2.00000
     48     -26.5454      2.00000
     49     -26.4898      2.00000
     50     -26.4687      2.00000
     51     -26.4463      2.00000
     52     -26.4408      2.00000
     53     -26.4012      2.00000
     54     -26.3939      2.00000
     55     -26.3920      2.00000
     56     -26.3476      2.00000
     57     -26.3411      2.00000
     58     -26.3309      2.00000
     59     -26.3214      2.00000
     60     -26.3180      2.00000
     61     -26.3122      2.00000
     62     -26.2938      2.00000
     63     -26.2861      2.00000
     64     -26.2796      2.00000
     65     -26.2522      2.00000
     66     -26.2365      2.00000
     67     -26.2192      2.00000
     68     -26.1975      2.00000
     69     -26.1958      2.00000
     70     -26.1816      2.00000
     71     -26.1737      2.00000
     72     -26.0221      2.00000
     73     -24.1567      2.00000
     74     -24.0210      2.00000
     75     -24.0163      2.00000
     76     -23.5603      2.00000
     77     -23.4735      2.00000
     78     -23.4571      2.00000
     79     -23.2112      2.00000
     80     -23.1596      2.00000
     81     -23.1447      2.00000
     82     -23.0571      2.00000
     83     -23.0512      2.00000
     84     -23.0118      2.00000
     85     -23.0022      2.00000
     86     -22.9516      2.00000
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     88     -22.9302      2.00000
     89     -22.9285      2.00000
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     91     -22.8331      2.00000
     92     -22.8066      2.00000
     93     -22.7989      2.00000
     94     -22.7484      2.00000
     95     -22.6291      2.00000
     96     -22.6200      2.00000
     97     -22.6175      2.00000
     98     -22.6138      2.00000
     99     -22.3999      2.00000
    100     -22.3231      2.00000
    101     -22.3169      2.00000
    102     -22.2891      2.00000
    103     -22.2062      2.00000
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    105     -22.1527      2.00000
    106     -22.1162      2.00000
    107     -22.1055      2.00000
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    110     -22.0769      2.00000
    111     -22.0761      2.00000
    112     -22.0666      2.00000
    113     -22.0139      2.00000
    114     -21.9790      2.00000
    115     -21.9336      2.00000
    116     -21.8584      2.00000
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    118     -21.7744      2.00000
    119     -21.7315      2.00000
    120     -21.6249      2.00000
    121     -20.5819      2.00000
    122     -20.5490      2.00000
    123     -20.5095      2.00000
    124     -20.4869      2.00000
    125     -20.4792      2.00000
    126     -20.4208      2.00000
    127     -20.4182      2.00000
    128     -20.4112      2.00000
    129     -20.4044      2.00000
    130     -20.4030      2.00000
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    132     -20.3801      2.00000
    133     -20.3673      2.00000
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    135     -20.3472      2.00000
    136     -20.3143      2.00000
    137     -20.3111      2.00000
    138     -20.3024      2.00000
    139     -20.2106      2.00000
    140     -20.1535      2.00000
    141     -20.1270      2.00000
    142     -20.0371      2.00000
    143     -20.0067      2.00000
    144     -19.8856      2.00000
    145     -18.7110      2.00000
    146     -18.6470      2.00000
    147     -18.6213      2.00000
    148     -18.5988      2.00000
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    150     -18.5713      2.00000
    151     -18.5568      2.00000
    152     -18.5476      2.00000
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    154     -18.4576      2.00000
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    156     -18.4349      2.00000
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    159     -18.3745      2.00000
    160     -18.3557      2.00000
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    176     -17.9099      2.00000
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    180     -17.8057      2.00000
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    182     -17.7043      2.00000
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    185     -17.6481      2.00000
    186     -17.6321      2.00000
    187     -17.5983      2.00000
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    189     -17.5636      2.00000
    190     -17.5370      2.00000
    191     -17.5092      2.00000
    192     -17.4853      2.00000
    193     -16.8870      2.00000
    194     -16.8690      2.00000
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    199     -16.7233      2.00000
    200     -16.7153      2.00000
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    203     -16.5744      2.00000
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    208     -16.3174      2.00000
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    210     -16.2773      2.00000
    211     -16.2489      2.00000
    212     -16.2070      2.00000
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   1559       6.1873      0.00000
   1560       6.1921      0.00000
   1561       6.1983      0.00000
   1562       6.2017      0.00000
   1563       6.2091      0.00000
   1564       6.2180      0.00000
   1565       6.2267      0.00000
   1566       6.2306      0.00000
   1567       6.2458      0.00000
   1568       6.2586      0.00000
   1569       6.2632      0.00000
   1570       6.2759      0.00000
   1571       6.2980      0.00000
   1572       6.3038      0.00000
   1573       6.3180      0.00000
   1574       6.3244      0.00000
   1575       6.3277      0.00000
   1576       6.3475      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.083  13.406  -0.001   0.001   0.000   0.003  -0.004   0.000
 13.406  17.822  -0.001   0.002   0.000   0.004  -0.005   0.000
 -0.001  -0.001  -4.227   0.003  -0.000   8.267  -0.005   0.000
  0.001   0.002   0.003  -4.227   0.001  -0.005   8.265  -0.001
  0.000   0.000  -0.000   0.001  -4.219   0.000  -0.001   8.256
  0.003   0.004   8.267  -0.005   0.000 -18.296   0.009  -0.001
 -0.004  -0.005  -0.005   8.265  -0.001   0.009 -18.291   0.001
  0.000   0.000   0.000  -0.001   8.256  -0.001   0.001 -18.284
 total augmentation occupancy for first ion, spin component:           1
  8.651  -3.922   0.110   0.132  -0.009   0.012   0.026  -0.002
 -3.922   1.851  -0.052  -0.097   0.001  -0.004  -0.016   0.001
  0.110  -0.052   1.828  -0.061   0.003   0.175  -0.013   0.000
  0.132  -0.097  -0.061   1.906  -0.080  -0.013   0.179  -0.011
 -0.009   0.001   0.003  -0.080   1.229   0.000  -0.011   0.081
  0.012  -0.004   0.175  -0.013   0.000   0.018  -0.002   0.000
  0.026  -0.016  -0.013   0.179  -0.011  -0.002   0.018  -0.001
 -0.002   0.001   0.000  -0.011   0.081   0.000  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -57955.13104119091.00706 41701.47303-12680.91275  6475.40279 29707.17819
  Hartree -2734.44376146201.51000 79751.12647-13114.31863  4358.72519 24140.82974
  E(xc)  -10759.34275-10623.60022-10663.43541     2.82983     8.50888    28.78550
  Local   27330.34027************************ 25796.70831-10860.57738-53299.99381
  n-local -5895.47701 -5999.30233 -6070.48919     7.87418    16.22196   -52.04116
  augment  1485.04138  1538.13547  1482.12589     3.17768    13.49459    -1.92649
  Kinetic 45758.71327 43324.72063 43992.83597   -58.65706  -118.04569  -530.55202
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      137.5590832   -407.3397063    125.5939206    -43.2984319   -106.2696485     -7.7200506
  in kB       22.9390782    -67.9271565     20.9437916     -7.2203601    -17.7213145     -1.2873802
  external PRESSURE =      -8.0147623 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.316E+03 -.131E+03 0.258E+03   0.316E+03 0.132E+03 -.259E+03   0.296E+00 -.533E+00 0.210E+01   -.124E-03 0.294E-04 -.121E-04
   -.286E+03 -.154E+03 0.410E+02   0.287E+03 0.156E+03 -.412E+02   -.617E-01 -.123E+01 -.512E+00   -.539E-04 0.185E-04 -.173E-04
   -.242E+03 -.141E+03 -.166E+01   0.242E+03 0.142E+03 0.338E+01   0.148E+00 -.143E+01 -.186E+01   -.241E-04 0.258E-04 -.359E-04
   -.285E+03 -.116E+03 0.361E+03   0.285E+03 0.117E+03 -.363E+03   -.150E-01 0.186E+00 0.258E+01   -.189E-03 0.101E-03 -.639E-04
   -.237E+03 -.164E+03 0.321E+03   0.237E+03 0.165E+03 -.322E+03   0.181E+00 -.778E+00 0.120E+01   -.108E-03 0.109E-03 -.115E-03
   -.207E+03 -.139E+03 0.177E+03   0.207E+03 0.139E+03 -.178E+03   0.391E+00 0.367E+00 0.909E-01   -.270E-04 0.659E-04 -.730E-04
   -.346E+03 -.133E+03 0.191E+03   0.347E+03 0.136E+03 -.195E+03   0.190E+00 -.476E+01 0.443E+00   -.737E-04 -.280E-04 0.221E-05
   -.269E+03 -.117E+03 -.102E+01   0.270E+03 0.121E+03 0.595E+00   -.601E+00 -.403E+01 0.230E+01   -.153E-04 -.679E-05 -.393E-05
   -.145E+03 0.131E+02 0.212E+03   0.145E+03 -.137E+02 -.213E+03   0.198E+00 -.621E-01 0.317E-01   0.795E-04 0.406E-04 -.874E-04
   -.131E+03 0.944E+02 0.755E+02   0.131E+03 -.956E+02 -.743E+02   0.315E+00 0.138E+01 -.104E+01   0.105E-03 0.175E-04 -.461E-04
   -.146E+03 0.143E+03 0.143E+03   0.146E+03 -.144E+03 -.143E+03   0.364E+00 0.888E+00 -.168E+00   0.157E-03 -.831E-05 -.543E-04
   -.156E+03 0.101E+02 0.347E+03   0.156E+03 -.104E+02 -.348E+03   -.242E+00 0.477E+00 0.131E+01   0.171E-03 0.431E-04 -.146E-03
   -.160E+03 -.208E+02 0.382E+03   0.160E+03 0.215E+02 -.385E+03   -.533E+00 -.101E+01 0.271E+01   0.282E-03 0.178E-04 -.152E-03
   -.160E+03 0.556E+02 0.336E+03   0.160E+03 -.563E+02 -.338E+03   0.427E+00 -.463E-01 0.230E+01   0.242E-03 -.131E-04 -.103E-03
   -.184E+03 0.114E+03 0.312E+03   0.185E+03 -.114E+03 -.318E+03   0.921E+00 0.450E+01 0.223E+01   0.236E-03 -.492E-04 -.108E-03
   -.176E+03 0.156E+03 0.903E+02   0.176E+03 -.160E+03 -.920E+02   -.514E-02 0.283E+01 0.363E+01   0.128E-03 -.228E-04 -.109E-04
   -.169E+03 0.126E+03 0.449E+02   0.170E+03 -.121E+03 -.401E+02   -.489E+00 -.442E+01 -.457E+01   0.992E-04 -.280E-04 0.904E-05
   -.930E+02 0.218E+03 -.177E+03   0.927E+02 -.219E+03 0.179E+03   0.814E+00 0.177E+01 -.207E+01   0.666E-04 -.233E-04 0.506E-04
   -.558E+02 0.162E+03 -.207E+03   0.554E+02 -.162E+03 0.209E+03   0.114E+01 -.263E+00 -.326E+01   0.570E-04 -.317E-04 0.398E-04
   -.155E+03 0.129E+03 0.180E+03   0.156E+03 -.128E+03 -.183E+03   -.956E+00 -.468E+00 0.314E+01   0.843E-04 -.326E-04 -.822E-05
   -.951E+02 0.974E+02 0.323E+01   0.943E+02 -.993E+02 -.254E+01   0.106E+01 0.139E+01 -.116E+01   0.482E-04 -.877E-05 0.168E-04
   -.806E+02 0.385E+02 -.157E+03   0.809E+02 -.387E+02 0.157E+03   -.152E-01 0.193E+00 -.565E+00   0.455E-04 -.169E-04 0.378E-04
   -.933E+02 -.274E+02 -.213E+03   0.936E+02 0.277E+02 0.213E+03   -.347E-01 -.331E+00 0.103E+01   0.523E-04 -.163E-04 0.168E-04
   -.597E+02 -.797E+02 -.292E+03   0.607E+02 0.814E+02 0.291E+03   -.121E+01 -.196E+01 0.129E+01   0.649E-04 -.390E-04 -.220E-04
   -.353E+02 -.152E+03 -.394E+03   0.349E+02 0.152E+03 0.396E+03   0.296E+00 -.633E+00 -.148E+01   0.978E-04 -.672E-04 -.772E-04
   -.155E+03 -.166E+03 -.203E+03   0.156E+03 0.166E+03 0.202E+03   -.908E+00 -.362E+00 0.256E+01   0.456E-04 -.229E-04 0.235E-04
   -.122E+03 -.307E+03 -.235E+03   0.122E+03 0.307E+03 0.235E+03   -.143E+00 -.135E+01 0.386E+00   0.768E-04 -.577E-04 -.129E-04
   -.653E+02 -.265E+03 -.343E+03   0.656E+02 0.266E+03 0.344E+03   0.328E-01 -.912E+00 -.652E+00   0.113E-03 -.913E-04 -.844E-04
   -.447E+02 -.183E+02 -.279E+03   0.497E+02 0.273E+02 0.274E+03   -.484E+01 -.893E+01 0.437E+01   0.428E-04 -.198E-04 0.812E-06
   -.959E+02 0.667E+02 0.308E+02   0.928E+02 -.768E+02 -.248E+02   0.375E+01 0.899E+01 -.437E+01   0.238E-04 0.346E-04 0.878E-04
   -.181E+03 -.456E+02 -.706E+02   0.181E+03 0.464E+02 0.721E+02   0.100E+00 0.166E+00 -.224E+01   -.467E-04 -.291E-04 -.569E-04
   -.125E+03 -.172E+03 0.996E+02   0.124E+03 0.173E+03 -.986E+02   -.105E+00 -.154E+01 0.128E+00   -.475E-04 -.250E-04 -.108E-03
   -.154E+03 -.153E+03 0.147E+03   0.154E+03 0.154E+03 -.149E+03   0.157E+00 -.196E+01 0.628E+00   -.112E-04 -.361E-04 -.840E-04
   -.305E+03 0.431E+01 -.164E+03   0.305E+03 -.598E+01 0.167E+03   0.702E+00 0.191E+01 -.293E+01   -.324E-04 -.345E-04 -.181E-04
   -.303E+03 -.730E+02 -.192E+03   0.303E+03 0.733E+02 0.193E+03   0.371E+00 0.389E-01 -.150E+01   -.172E-05 -.233E-04 -.526E-05
   -.229E+03 -.682E+02 -.359E+02   0.228E+03 0.685E+02 0.368E+02   0.158E+00 0.961E-01 -.251E-01   0.115E-04 -.268E-04 -.200E-04
   -.724E+02 -.608E+02 -.356E+02   0.717E+02 0.625E+02 0.403E+02   -.253E-01 -.439E+01 -.279E+01   -.590E-04 -.162E-04 -.422E-04
   -.380E+02 -.171E+03 0.111E+03   0.377E+02 0.176E+03 -.110E+03   0.293E+00 -.316E+01 -.384E+01   -.873E-04 0.325E-04 -.155E-03
   -.193E+03 0.659E+02 -.430E+02   0.193E+03 -.666E+02 0.434E+02   -.767E-01 -.268E+00 -.113E+00   0.424E-04 -.701E-05 0.266E-04
   -.906E+02 0.780E+02 0.160E+03   0.904E+02 -.786E+02 -.162E+03   0.346E-01 0.144E+01 0.190E+01   0.556E-04 -.110E-04 0.158E-04
   -.287E+02 0.101E+03 0.927E+02   0.282E+02 -.103E+03 -.926E+02   -.751E-01 0.981E+00 0.552E+00   0.393E-04 0.500E-06 0.579E-04
   -.223E+03 0.910E+02 -.247E+03   0.223E+03 -.916E+02 0.248E+03   0.118E+00 0.111E+01 -.116E+01   0.545E-04 0.312E-04 0.762E-04
   -.175E+03 0.468E+02 -.321E+03   0.175E+03 -.470E+02 0.323E+03   0.987E-01 0.122E+00 -.251E+01   0.459E-04 0.180E-04 0.104E-03
   -.802E+02 0.807E+02 -.185E+03   0.800E+02 -.823E+02 0.186E+03   0.390E-01 0.102E+01 -.201E+01   0.316E-04 0.427E-05 0.695E-04
   -.188E+02 0.112E+03 -.130E+03   0.175E+02 -.115E+03 0.134E+03   0.558E+00 0.516E+01 -.459E+00   0.153E-04 -.137E-04 0.798E-04
   0.517E+02 0.900E+02 0.112E+03   -.538E+02 -.940E+02 -.106E+03   0.120E+01 0.384E+01 -.220E+01   0.332E-04 -.166E-04 0.985E-04
   0.760E+02 0.616E+02 0.102E+03   -.751E+02 -.558E+02 -.104E+03   -.122E+01 -.583E+01 0.217E+01   0.392E-04 0.257E-04 0.321E-04
   0.270E+02 0.148E+03 0.292E+03   -.261E+02 -.149E+03 -.294E+03   -.125E+01 0.172E+01 0.281E+01   0.655E-04 0.343E-04 -.647E-05
   -.846E+01 0.150E+03 0.239E+03   0.913E+01 -.150E+03 -.240E+03   -.138E+01 -.585E+00 0.226E+01   0.641E-04 0.357E-04 -.478E-04
   0.833E+02 0.827E+02 -.688E+02   -.839E+02 -.829E+02 0.722E+02   0.378E+00 0.656E+00 -.349E+01   0.292E-04 0.157E-04 0.325E-04
   0.451E+02 0.485E+02 -.700E+01   -.445E+02 -.498E+02 0.526E+01   -.831E+00 0.152E+01 0.193E+01   0.273E-04 0.313E-04 0.214E-04
   0.314E+02 0.388E+02 0.962E+02   -.313E+02 -.381E+02 -.970E+02   0.267E-01 -.665E+00 0.892E+00   0.403E-04 0.426E-04 -.110E-04
   -.110E+03 -.226E+02 0.380E+02   0.110E+03 0.228E+02 -.371E+02   -.171E+00 -.204E+00 -.193E+00   0.412E-04 0.252E-04 -.318E-04
   -.281E+03 -.452E+02 0.147E+03   0.282E+03 0.464E+02 -.146E+03   -.815E-01 -.985E+00 -.180E+01   0.665E-04 -.141E-04 -.828E-04
   -.341E+03 -.848E+02 0.191E+03   0.342E+03 0.848E+02 -.194E+03   -.126E+01 -.611E+00 0.330E+01   0.521E-04 -.445E-04 -.530E-04
   -.109E+03 -.156E+03 -.117E+03   0.109E+03 0.156E+03 0.118E+03   0.109E+01 0.706E+00 -.258E+01   0.255E-04 0.122E-04 -.126E-04
   -.159E+03 -.158E+03 -.182E+03   0.159E+03 0.159E+03 0.184E+03   0.713E+00 -.180E+01 -.278E+01   0.109E-04 -.124E-04 -.825E-05
   -.260E+03 -.692E+02 0.302E+02   0.259E+03 0.628E+02 -.282E+02   0.103E+01 0.649E+01 -.212E+01   0.137E-04 -.315E-04 -.127E-04
   -.264E+03 0.847E+01 0.181E+03   0.261E+03 -.274E+00 -.172E+03   0.255E+01 -.636E+01 -.827E+01   0.148E-03 0.135E-04 -.104E-03
   -.384E+02 0.603E+01 -.966E+02   0.416E+02 -.129E+02 0.882E+02   -.332E+01 0.706E+01 0.787E+01   -.805E-05 -.135E-04 -.609E-05
   -.457E+03 -.884E+02 0.901E+02   0.457E+03 0.899E+02 -.913E+02   0.221E+00 0.305E-01 0.144E+01   0.130E-03 -.719E-05 0.294E-04
   -.455E+03 -.116E+03 -.887E+02   0.456E+03 0.118E+03 0.881E+02   -.172E+00 -.165E+01 -.112E+01   0.117E-03 -.579E-04 0.462E-04
   -.394E+03 -.105E+03 -.122E+03   0.395E+03 0.106E+03 0.124E+03   0.251E+00 -.171E+01 -.170E+01   0.713E-04 -.119E-03 0.283E-04
   -.373E+03 -.714E+02 0.178E+03   0.373E+03 0.706E+02 -.180E+03   0.294E-02 -.301E+00 0.259E+01   0.865E-04 -.512E-04 -.830E-05
   -.309E+03 -.136E+03 0.136E+03   0.308E+03 0.137E+03 -.137E+03   0.474E+00 -.145E+00 0.121E+01   0.868E-05 -.904E-04 -.280E-04
   -.322E+03 -.110E+03 0.249E+02   0.323E+03 0.110E+03 -.257E+02   0.111E+00 0.218E+00 0.130E+00   0.617E-05 -.133E-03 -.143E-04
   -.494E+03 -.116E+03 -.166E+02   0.495E+03 0.124E+03 0.222E+02   -.639E+00 -.433E+01 -.609E-01   0.144E-03 0.101E-03 0.848E-04
   -.464E+03 -.936E+02 -.754E+02   0.465E+03 0.976E+02 0.756E+02   -.985E+00 -.412E+01 0.242E+01   0.107E-03 0.101E-04 0.137E-03
   -.259E+03 0.409E+02 0.501E+02   0.259E+03 -.413E+02 -.507E+02   0.177E+00 -.997E-01 0.174E-01   -.615E-04 -.108E-03 -.528E-05
   -.297E+03 0.119E+03 -.480E+02   0.297E+03 -.121E+03 0.493E+02   0.412E-01 0.162E+01 -.111E+01   -.529E-04 -.714E-04 0.181E-04
   -.310E+03 0.156E+03 0.185E+02   0.310E+03 -.158E+03 -.189E+02   0.979E-01 0.127E+01 -.224E+00   -.654E-04 -.144E-04 0.305E-04
   -.213E+03 0.407E+02 0.143E+03   0.213E+03 -.411E+02 -.144E+03   -.220E+00 0.235E+00 0.137E+01   -.109E-03 -.660E-04 -.269E-04
   -.219E+03 -.980E+01 0.158E+03   0.220E+03 0.107E+02 -.160E+03   -.468E+00 -.122E+01 0.273E+01   -.121E-03 -.238E-04 -.986E-05
   -.282E+03 0.562E+02 0.158E+03   0.282E+03 -.570E+02 -.159E+03   0.271E+00 0.596E-01 0.208E+01   -.857E-04 0.136E-04 0.270E-04
   -.331E+03 0.906E+02 0.153E+03   0.332E+03 -.921E+02 -.159E+03   0.428E+00 0.452E+01 0.222E+01   -.342E-04 0.685E-04 0.200E-04
   -.348E+03 0.162E+03 0.578E+02   0.348E+03 -.167E+03 -.592E+02   -.206E+00 0.299E+01 0.349E+01   -.266E-04 0.133E-04 0.392E-04
   -.343E+03 0.109E+03 0.994E+02   0.343E+03 -.104E+03 -.948E+02   0.527E-01 -.456E+01 -.436E+01   0.359E-04 0.398E-04 0.354E-04
   -.206E+03 0.218E+03 0.345E+02   0.206E+03 -.219E+03 -.323E+02   0.458E+00 0.204E+01 -.231E+01   0.317E-04 0.235E-04 0.818E-05
   -.102E+03 0.125E+03 0.863E+02   0.101E+03 -.125E+03 -.850E+02   0.109E+01 0.551E-02 -.306E+01   0.372E-04 0.390E-05 -.459E-05
   -.379E+03 0.832E+02 0.193E+03   0.380E+03 -.820E+02 -.196E+03   -.629E+00 -.306E+00 0.265E+01   0.598E-04 0.244E-04 0.328E-04
   -.325E+03 0.775E+02 0.125E+03   0.324E+03 -.792E+02 -.125E+03   0.114E+01 0.156E+01 -.118E+01   0.651E-04 0.261E-04 0.150E-04
   -.198E+03 0.196E+02 0.923E+02   0.198E+03 -.194E+02 -.916E+02   0.834E-01 0.502E-01 -.465E+00   0.423E-04 0.183E-04 -.160E-04
   -.163E+03 0.253E+01 0.121E+03   0.163E+03 -.248E+01 -.121E+03   -.674E+00 -.247E+00 0.630E+00   0.269E-05 0.224E-04 -.329E-04
   -.177E+02 -.551E+02 0.718E+02   0.179E+02 0.572E+02 -.735E+02   0.141E+00 -.243E+01 0.145E+01   -.187E-04 0.330E-04 -.260E-04
   0.224E+02 -.617E+02 -.346E+02   -.233E+02 0.607E+02 0.385E+02   0.424E+00 0.792E+00 -.330E+01   -.410E-04 0.361E-04 -.299E-04
   -.249E+03 -.126E+03 0.152E+03   0.251E+03 0.126E+03 -.154E+03   -.168E+01 -.174E+00 0.249E+01   -.364E-04 0.491E-04 -.591E-04
   -.117E+03 -.232E+03 0.194E+03   0.117E+03 0.233E+03 -.195E+03   -.232E+00 -.193E+01 0.261E+01   -.856E-04 0.821E-04 -.635E-04
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   0.139E+03 -.339E+03 -.122E+02   -.106E+03 0.376E+03 -.273E+01   -.337E+02 -.369E+02 0.150E+02   -.964E-04 0.594E-04 0.401E-04
   0.368E+03 0.137E+03 0.990E+02   -.406E+03 -.139E+03 -.140E+03   0.379E+02 0.211E+01 0.409E+02   0.750E-05 0.154E-04 0.730E-04
   -.312E+03 -.879E+02 -.307E+03   0.350E+03 0.877E+02 0.343E+03   -.379E+02 0.442E+00 -.367E+02   0.970E-07 -.545E-04 0.796E-04
   0.348E+03 0.277E+03 -.164E+03   -.385E+03 -.318E+03 0.181E+03   0.377E+02 0.402E+02 -.164E+02   -.705E-04 -.788E-04 0.110E-03
   -.159E+03 0.458E+02 0.138E+03   0.185E+03 -.627E+02 -.184E+03   -.250E+02 0.170E+02 0.456E+02   0.229E-04 -.470E-04 0.520E-04
   -.333E+03 -.419E+03 0.396E+03   0.358E+03 0.452E+03 -.425E+03   -.254E+02 -.337E+02 0.291E+02   0.355E-04 -.385E-04 -.121E-03
   0.146E+03 -.509E+03 -.966E+02   -.175E+03 0.534E+03 0.126E+03   0.300E+02 -.261E+02 -.299E+02   -.598E-05 0.147E-04 -.573E-04
   -.336E+03 -.108E+03 -.130E+02   0.372E+03 0.866E+02 0.485E+02   -.352E+02 0.218E+02 -.359E+02   0.870E-05 0.146E-04 -.135E-03
   -.106E+02 -.898E+02 0.869E+03   -.189E+02 0.111E+03 -.912E+03   0.294E+02 -.206E+02 0.429E+02   0.706E-04 -.156E-03 -.448E-03
   -.241E+03 0.167E+03 0.672E+03   0.280E+03 -.189E+03 -.695E+03   -.393E+02 0.215E+02 0.227E+02   -.710E-04 -.158E-03 -.354E-03
   0.134E+03 0.395E+03 0.301E+03   -.166E+03 -.428E+03 -.282E+03   0.319E+02 0.331E+02 -.193E+02   0.195E-04 -.176E-03 -.238E-03
 -----------------------------------------------------------------------------------------------
   0.671E+01 -.563E+02 -.411E+02   -.611E-11 -.739E-12 -.568E-12   -.670E+01 0.563E+02 0.410E+02   -.527E-02 0.189E-02 0.194E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.72311      3.15301      1.40558         0.411694      0.482627      0.911941
     12.56843      3.59056      2.72428         0.389404      0.278845     -0.672755
     12.56540      4.97406      3.02018         0.188436     -0.471165     -0.144624
     12.83894      4.06407      0.36972         0.193544      0.355241      0.242689
     12.86395      5.42789      0.67561         0.076796     -0.243928      0.430259
     12.73823      5.93009      1.99772         0.267448      0.826151     -0.340734
     12.74790      1.69677      1.43081         1.151142     -1.954133     -3.457520
     12.34864      2.36016      3.53750         0.129168      0.030785      1.875243
     12.83967      7.46620      2.23027         0.239746     -0.644268     -0.492551
     12.75594      8.08263      3.49380         0.311228      0.216095      0.178863
     13.03084      9.45662      3.66645         0.220163     -0.463676     -0.732796
     13.13794      8.32966      1.13930         0.003282      0.240771      0.392988
     13.33136      9.71184      1.28195        -0.180844     -0.362316      0.453052
     13.26914     10.26744      2.55923         0.355862     -0.784392      0.593074
     13.49966     11.61137      3.08381         1.331770      4.411259     -4.116250
     13.14781     10.31431      4.87385        -0.207780     -0.920289      1.909105
     13.54684     12.78266      5.31633         0.464764      1.267523      0.210493
     13.20206     12.72338      6.66509         0.494331      0.761744      0.184648
     13.25928     13.86578      7.47798         0.777099     -0.664677     -2.136385
     13.85100     14.09559      4.86440         0.280358      0.449280      0.641861
     13.88862     15.25118      5.70107         0.263909     -0.515648     -0.463127
     13.61373     15.16053      7.09097         0.337943      0.005158      0.121545
     13.67520     16.27857      8.09460         0.245474     -0.028696      0.357658
     13.20166     16.20302      9.43609        -0.236758     -0.265011      0.340985
     13.35597     17.27267     10.32014        -0.091387     -0.182019      0.282407
     14.22426     17.53969      7.79993         0.142613      0.011727      0.759144
     14.32967     18.63328      8.64224        -0.140659     -0.789845      0.370926
     13.91343     18.48341      9.95149         0.293794      0.263545     -0.243814
     12.50704     14.99049     10.02144         0.184032      0.066889     -0.175456
     14.33336     16.56107      5.05045         0.673007     -1.148515      1.633726
      9.69890      3.82313      4.81365         0.086954      0.992605     -0.715771
      9.90117      4.76796      3.80543        -0.420036      0.019198      1.143176
     10.02333      6.12822      4.15124        -0.100927     -0.448406     -0.591116
      9.58904      4.20631      6.13151         0.148685      0.237517      0.051905
      9.68829      5.54772      6.46799         0.191827      0.342494     -0.517830
      9.94320      6.55092      5.48350        -0.162327      0.341662      0.848350
      9.61254      2.51008      4.20798        -0.736553     -2.617554      1.873290
      9.96607      4.01576      2.54078        -0.003795      1.638812     -2.837965
     10.08072      8.01649      5.88587        -0.308557     -0.994732      0.298812
     10.34283      8.99163      4.92240        -0.142498      0.900799      0.305184
     10.41464     10.34370      5.26199        -0.505652     -0.777207      0.731977
      9.91636      8.43822      7.23068         0.015556      0.479870     -0.457149
     10.03437      9.78927      7.59530        -0.053585     -0.159509     -0.336215
     10.28277     10.72914      6.59822        -0.140694     -0.586075     -0.973478
     10.45315     12.16677      6.61508        -0.780150      2.490016      3.618738
     10.71673     11.54737      4.44240        -0.909452     -0.176092      3.848260
     11.00360     14.04063      4.97558        -0.335022     -0.040617      0.269815
     11.46873     14.37961      3.70167        -0.367106      0.721400      0.236977
     11.77355     15.71545      3.42249        -0.701510     -0.400317      0.911979
     10.95042     15.10437      5.89992        -0.252075      0.459867     -0.180511
     11.18668     16.46001      5.56929        -0.188067      0.209344      0.184803
     11.59353     16.83846      4.24499         0.160905      0.067773      0.140070
     12.01945     18.23898      3.77918        -0.413667     -0.079539      0.745405
     12.49267     18.58890      2.50618         0.321317      0.170512     -1.023001
     12.61023     19.97716      2.16783        -0.052251     -0.572500      0.134326
     11.87295     19.34933      4.64321         0.522856      0.646895     -1.418026
     12.02412     20.70832      4.36104         0.274009     -1.114781     -0.085901
     12.38717     21.05739      3.06482         0.430700      0.096766     -0.088955
     12.73631     17.51074      1.30503         0.087627      1.833278      0.637720
     10.93558     17.47755      6.71659        -0.061723      0.197285     -0.506863
     10.03743      7.14662     14.58595         0.489084      1.557640      0.277214
      9.91734      7.61044     15.90764         0.544481     -0.454341     -1.639690
      9.92821      8.99135     16.18745         0.434004     -0.801090      0.185699
     10.13213      8.09202     13.53234         0.048430     -1.119444      1.172851
     10.16494      9.43402     13.84743         0.328542      1.079426      0.587952
     10.09102      9.94777     15.18495         0.408617      0.849072     -0.623421
      9.93202      5.67393     14.56411        -0.210538      3.773790      5.529275
      9.64856      6.39107     16.71194         0.095478     -0.141960      2.659360
     10.19370     11.48115     15.48541         0.310898     -0.472632     -0.526456
     10.12713     12.04330     16.78301         0.200389      0.139596      0.241737
     10.30652     13.43181     17.01273         0.257672     -0.221819     -0.698338
     10.44395     12.40479     14.42463         0.061756     -0.070187      0.433643
     10.59874     13.78030     14.63130        -0.099504     -0.368440      0.456926
     10.50452     14.28469     15.93043         0.331944     -0.690973      0.400098
     10.60854     15.64807     16.46208         1.091644      3.076018     -3.506840
     10.26624     14.30213     18.23881        -0.144904     -1.644460      2.136090
     10.44991     16.83764     18.68571         0.240492      0.225435      0.273386
     10.12857     16.77635     20.03977         0.163425      0.931566     -0.110475
      9.99698     17.96217     20.77966         0.465749     -0.455164     -1.788652
     10.63794     18.16127     18.23296         0.563463      0.962981      0.143599
     10.59811     19.34933     19.02570         0.752503     -0.108982     -0.436466
     10.27261     19.28795     20.40962         0.157052      0.176590      0.254279
     10.21596     20.44404      0.15754        -0.388196     -0.193598     -0.088189
      9.75735     20.36652      1.51740         0.345151     -0.281415     -0.248888
      9.72741      0.22195      2.34838        -0.504344     -0.151768      0.564117
     10.54521      0.51221     21.09919        -0.391211      0.018465      0.597206
     10.30159      1.66697      0.58195        -0.290529     -0.719310      0.815357
      9.91234      1.56070      1.92280        -0.272620     -1.020927     -0.968909
      9.45222     19.04885      2.19152        -2.199005      1.225200     -0.013758
     10.93921     20.70601     18.35648         0.724844     -1.207855      0.847955
      7.08683      7.60661     17.54029        -0.037031      0.159747     -0.525655
      7.29108      8.54271     16.55015        -0.655813      0.616890      0.309039
      7.44998      9.91220     16.87894        -0.343749     -0.671449     -0.398616
      7.06426      7.97577     18.87402         0.115557      0.898772      0.152913
      7.11928      9.34227     19.19201         0.061268     -0.330075     -0.657733
      7.32192     10.35005     18.19816        -0.217249      0.683456      0.834538
      6.94508      6.29522     16.88400        -0.516624     -2.915038      2.492134
      7.28985      7.80328     15.25048         0.158422      1.240328     -0.836222
      7.35443     11.84640     18.60076        -0.329065     -0.913543      0.312211
      7.59418     12.90137     17.70471        -0.241167      0.670535      0.034990
      7.55960     14.24631     18.11958        -0.531262     -0.546645      0.624417
      7.07678     12.22070     19.93683         0.139806      0.008864     -0.607783
      7.05144     13.55241     20.34714         0.078819     -0.189393      0.185264
      7.28835     14.56660     19.45241         0.107283     -0.299151     -1.295234
      7.35504     16.01636     19.57961        -1.054474      2.074824      3.240926
      7.83971     15.52433     17.42575        -0.862184     -0.158074      0.690020
      7.82932     18.01860     18.07071        -0.268356     -0.275818      0.058922
      8.44273     18.42056     16.88319        -0.476285      0.933289      0.250720
      8.71745     19.77610     16.67760        -0.411064     -0.515887      0.272999
      7.55610     19.05849     18.98984        -0.319627      0.773256     -0.611267
      7.69296     20.44225     18.65551        -0.685957     -0.195856      0.754584
      8.24745     20.87509     17.41582        -0.076738      0.340027      0.085831
      8.58520      1.07503     17.00233         0.023536     -0.448504      0.608597
      8.99358      1.41591     15.71228         0.258424     -0.528059     -0.645679
      9.29681      2.77833     15.37136         0.388759     -0.709855     -0.109684
      8.62874      2.17417     17.90449         0.280080      1.215913     -1.131831
      8.92708      3.52282     17.60818         0.076046     -1.914939     -1.037790
      9.29222      3.85109     16.28397         0.367461      0.335234      0.822552
      9.16007      0.29093     14.60382         1.044965      1.021223     -1.320276
      7.23909      0.19290     19.75203         0.030969      0.212633     -0.771158
      7.03064     10.84031      6.11978        -0.188984      0.548720      0.643210
      6.84066     11.31808      7.41656         0.135989      0.539672     -0.849741
      6.96493     12.68916      7.70770        -0.123199     -0.566443     -0.011128
      7.37385     11.70304      5.09288        -0.100272      0.388826      0.261029
      7.50471     13.06436      5.39044        -0.173574     -0.022119      0.301818
      7.28878     13.60565      6.69097         0.065916      0.694887     -0.343765
      6.86477      9.39522      6.16391         0.433683     -2.343493     -2.808984
      6.56150     10.13404      8.23917        -0.469824     -0.183732      3.584697
      7.40099     15.12503      6.92865        -0.064098     -0.555158     -0.418767
      7.12280     15.74778      8.15869         0.048009      0.643429      0.208825
      7.25084     17.15431      8.29648         0.062001     -0.491975     -0.906134
      7.77945     15.98423      5.86253        -0.244197      0.102644      0.141509
      7.84895     17.37321      5.98118        -0.484234     -0.502446      0.331893
      7.60079     17.95629      7.21801        -0.406675     -0.522531      0.225930
      7.71274     19.34000      7.70992         1.086203      2.876153     -2.509146
      7.12328     18.06804      9.42578        -0.944637     -1.247589      4.538740
      7.43518     20.57963      9.89364         0.174835     -0.009406      0.299120
      7.00036     20.53589     11.20833        -0.010753      1.272554      0.842209
      6.84051      0.44995     11.96601         1.407781     -0.433701     -1.651755
      7.78599      0.61719      9.49712         0.585444      0.823437      0.340470
      7.80587      1.76131     10.36888         0.709158     -0.002875     -0.671877
      7.32021      1.74091     11.69496         0.375500      0.122411      0.497464
      7.31915      2.89333     12.75088         0.383841      0.460528     -0.113843
      6.85503      2.88720     14.10775         0.577133      0.654687     -0.594116
      6.82614      3.99978     14.95153        -0.113340      0.474537     -0.289071
      7.78493      4.19883     12.49502        -0.450229     -0.853968      0.356225
      7.61598      5.35057     13.26142         0.442470      0.207355      0.497353
      7.16466      5.33934     14.56284        -0.698720     -1.639548      0.517976
      6.31117      1.65758     14.65308        -3.353902      4.299020      2.453500
      8.38390      3.04073      9.78748         0.002651     -0.556564      1.385961
      4.02590     11.49770     10.77085        -0.072345      0.601363     -0.265540
      3.74804     12.38456      9.73199         0.242605      0.248109      0.789418
      3.82376     13.77338      9.94250        -0.063702     -0.544148     -0.294340
      4.36635     11.97093     12.03288        -0.068198      0.491700     -0.321057
      4.41920     13.35711     12.23812         0.026167     -0.088923     -0.144537
      4.16332     14.29701     11.20489         0.149473      0.292230      0.352182
      3.86055     10.14374     10.24249         0.700538     -3.053264      2.314275
      3.39387     11.55220      8.56573        -0.884338      1.482527     -3.282122
      4.26951     15.79691     11.45630         0.037182     -0.696213      0.091958
      4.11888     16.72326     10.41067        -0.049109      0.791078     -0.249751
      4.21271     18.10672     10.63855         0.000416     -0.593006      0.408505
      4.57189     16.30771     12.74892         0.032031      0.225857     -0.321308
      4.73585     17.67549     12.96993        -0.084031     -0.096827     -0.642492
      4.50836     18.56656     11.91256        -0.336654     -1.905793     -0.158353
      4.52453     19.96093     11.85908         0.180834      5.622345      5.562009
      4.26311     19.29406      9.74374        -0.270589      0.308075     -0.776841
      4.63115      0.60680     10.12597        -0.322366      0.443705     -0.098381
      4.91882      0.93470      8.79348        -0.193517      0.581791      0.251892
      5.22657      2.26602      8.45206        -0.278055     -0.740438      1.226318
      4.61775      1.73617     10.98189        -0.379030      0.664516      0.108532
      4.86365      3.10003     10.60533        -0.209033     -0.138637      0.317257
      5.31790      3.40327      9.27789        -0.294772      0.149908      0.060460
      5.84211      4.79901      8.73207        -0.277105     -0.279532      0.611813
      6.23507      5.09353      7.41983         0.704836      0.575789     -1.273060
      6.50110      6.46068      7.05143         0.246075     -1.337513     -0.814855
      5.83092      5.94814      9.54547         0.950574      1.954055     -2.249875
      6.07184      7.31672      9.20930         0.139115     -3.223308     -0.918903
      6.38939      7.57061      7.87449         0.212535      1.168836      0.970552
      6.31245      3.99045      6.27976         0.239375      0.024417      0.779090
      4.71912      4.14214     11.76302        -0.196403      0.245249     -0.652855
      1.34809     14.33997      0.66776        -0.788052      1.057955      0.150742
      1.84235     14.76263      1.89824        -0.449697     -0.139967     -0.500936
      1.74215     16.14380      2.23778        -0.026855     -0.551117      0.129627
      0.79849     15.24357     21.00538         0.467669      1.018018      1.593267
      0.81660     16.61368      0.05157         0.007394     -1.116725      0.256644
      1.23242     17.10258      1.31204        -0.430527      0.612524      0.170131
      1.43318     12.89151      0.56030         0.090809      0.773951      1.164049
      2.42247     13.48577      2.49098         2.089348      0.035944      4.985898
      1.08079     18.63234      1.54140        -0.467882     -0.583534     -0.867486
      1.41834     19.29884      2.72374         0.033794      0.415298      0.629522
      1.27346     20.69558      2.82840        -0.696878     -0.122690     -1.153641
      0.55873     19.45772      0.47782         0.210082     -0.369956      0.799435
      0.39800     20.83410      0.59024        -0.244424     -0.350865     -0.538006
      0.74955      0.18676      1.76113         0.384424     -0.695781      1.297438
      0.79983      1.59153      2.13081        -1.193343      2.609300     -2.104909
      1.62935      0.41209      3.85763         1.530386     -1.032317      3.720659
      1.53083      2.92952      4.08850        -0.261601      1.138373      0.218811
      2.06742      2.91602      5.35211         0.082925      0.107870      0.348635
      2.23504      4.10416      6.02188        -0.667104      0.510850     -1.206062
      1.16743      4.22706      3.63038        -0.094728     -0.028622      0.320528
      1.37494      5.42487      4.34838        -0.397028      0.195642     -0.330464
      1.99460      5.44106      5.61745        -0.199977     -0.353248      0.599126
      2.32023      6.65650      6.49159        -0.443378      0.432006     -0.434229
      2.91448      6.57758      7.75367        -0.505664      1.578827      0.010889
      3.32252      7.73583      8.49318        -0.155653     -1.243261      0.813319
      2.16902      8.02585      6.10462         0.781581     -0.066975      1.772602
      2.61340      9.17336      6.79476        -0.302304     -2.150563      0.147330
      3.17954      9.05331      8.07681        -0.460796      0.235744     -0.519024
      3.12275      5.28187      8.37700        -0.938153     -0.430826      1.069116
      0.84417      6.72159      3.72285        -0.471407     -1.458612      1.066793
      4.62170     14.04958      0.74915         0.071849      0.358830     -0.380356
      3.92200     14.97564     -0.02074         0.494608     -0.200338     -0.094064
      3.93982     16.35730      0.34714        -0.003756     -0.446637     -0.531912
      5.39753     14.49396      1.81934        -0.218762      0.567714     -0.105180
      5.42122     15.85836      2.15185        -0.197430     -0.159375     -0.358357
      4.67934     16.84923      1.44908         0.346801      0.589100      0.365080
      4.45418     12.69825      0.14841         1.872416     -2.131505      1.757517
      3.31262     14.11356     20.12275        -2.435365      2.921369     -2.983520
      4.75366     18.37498      1.90660         0.201780     -0.743954     -0.110564
      4.07226     19.45013      1.28661         0.055892      0.504423     -0.050081
      4.20425     20.79037      1.74824         0.323077     -0.238194      0.189986
      5.58657     18.74989      3.00209        -0.156063      0.091961     -0.134778
      5.73296     20.06802      3.46038        -0.301831     -0.282973     -0.306130
      5.01602     21.08203      2.83343        -0.089714     -0.400818     -0.334898
      4.97126      1.27643      3.06361         2.595216      1.231542      2.883739
      3.65418      0.86610      1.33274        -2.319425     -0.047874     -3.395809
      3.81327      3.32823      2.13655         0.394416      0.755736      0.483557
      2.95551      3.92258      1.22053        -0.192820     -0.373392     -0.861365
      2.68905      5.29156      1.21487         0.828588     -0.115240      0.223344
      4.26450      4.29197      3.08785         0.038728      0.045724     -0.802327
      4.06106      5.69669      2.97594         0.267432      0.379604      0.479101
      3.34172      6.34342      1.94577         0.197970     -0.304450      0.076967
      3.22894      7.95668      1.77554         0.218290      0.419548      1.607133
      2.32313      8.59193      0.93959        -1.476452      1.274461     -0.702914
      2.08101      9.99500      0.79010        -0.814769     -1.412330     -0.797506
      3.69294      8.97825      2.68779        -1.569688      1.235969     -2.820986
      3.34031     10.35269      2.70779        -0.367676     -1.792291     -1.621924
      2.54076     10.92547      1.69630         0.562716      1.047003      1.418625
      1.70024      7.65063     21.22087        -0.881244      0.309457      1.296909
      4.69252      6.54665      4.08443        -0.561903      0.114146     -2.739669
     18.32427     17.31456     13.30683         0.634048      0.260195      0.974548
     19.37343     17.79978     14.08853        -0.480923      0.681098      0.093479
     19.55241     19.18387     14.24613        -0.023831     -0.564463      0.124164
     17.43899     18.18713     12.68722         0.151319      0.409047      0.279683
     17.62184     19.56663     12.86808         0.274263     -0.341830      0.299874
     18.68084     20.09946     13.65334        -0.572219      0.858412     -0.221592
     18.41574     15.85868     13.38459        -4.075160     -2.971246     -1.492290
     20.17970     16.64604     14.60267        -4.164742      0.180432     -1.972011
     18.81846      0.35623     13.87022        -0.465128     -0.645040     -0.209453
     19.86513      0.92522     14.61543        -0.177126      0.891650      0.354508
     19.84537      2.30636     14.92677        -0.869730     -0.465687     -0.533865
     17.80468      1.23862     13.41256         0.158709      0.058592      0.048973
     17.79588      2.60772     13.68686         0.607080     -0.098982      0.227864
     18.83662      3.14232     14.44325         0.334887     -0.871603      0.427672
     19.07640      4.47881     15.00060        -2.540986      3.041834     -0.942051
     20.66071      3.13046     15.82480         1.194380     -0.114858      1.361422
     20.76772      5.60114     16.53665         0.503960      0.674687      0.614547
      0.83564      5.58270     17.09690        -2.185815     -1.217446     -0.904824
      1.43377      6.75293     17.38921         2.947166      0.970551      0.591357
     20.25200      6.91688     16.49249         0.108169      0.222147      1.011897
     20.84807      8.06044     17.15649        -0.772422      0.088449     -0.022772
      0.91940      8.03330     17.64769        -1.211524      0.736039      0.437466
      1.68603      9.19817     18.35243         0.159555      1.558428     -0.174300
      3.01264      9.15562     18.96257        -0.441642     -0.974292     -0.171215
      3.60777     10.25602     19.61479        -1.121443      0.363230     -0.773152
      1.11622     10.48974     18.58177         4.916721     -3.167848      1.575533
      1.80785     11.61993     19.04438        -1.957572      0.452068     -0.972761
      3.03353     11.59700     19.57438         2.709380     -1.079506      1.308200
      3.76351      7.78469     18.95286         3.229951      4.772173     -0.253284
     19.95195      9.30119     17.26183         0.854709     -0.056307      0.806246
      2.03413     18.11690     14.14313        -0.205524      0.919831     -0.438554
      1.26282     19.06802     13.47758         0.539903      0.623995      0.704566
      1.42449     20.42614     13.80350        -0.233301     -0.144362     -0.314935
      3.07551     18.52235     14.98614        -0.771457      0.396203     -0.214019
      3.31936     19.88591     15.17228        -0.410367      0.107961      0.033795
      2.44687     20.88939     14.64854         0.154563      0.318936      0.545132
      1.61850     16.83103     13.63970         2.462597     -4.410312      0.642163
      0.34327     18.37830     12.54208        -0.980508      1.549432     -1.120843
      2.61978      1.12421     14.96073         0.284315     -1.214762      0.506428
      1.84146      2.09083     14.34761        -0.126439      1.431447      0.088023
      2.05541      3.47345     14.57897         0.847891     -1.346947      0.447515
      3.62462      1.56553     15.86376        -0.579542      0.173123     -0.139357
      3.87414      2.91540     16.11407        -0.806119      0.529949     -0.265481
      3.06356      3.86016     15.46200        -0.418330     -1.556531     -0.662281
      3.03960      5.28684     15.51979         2.272270      1.916370      0.968465
      1.30887      4.67431     14.18381         1.435285      0.348272      0.373255
      1.46580      7.18741     14.75661         0.542427      0.516894     -0.146139
      0.20271      7.52154     14.23933         0.851785      0.044036     -0.359296
     21.02701      8.84657     14.22378         0.822138     -0.016920      0.186411
      2.10192      8.30434     15.38256         0.435421      0.594694     -0.280353
      1.64467      9.65193     15.34383        -0.012916      0.346835     -0.579265
      0.40809      9.99935     14.69872         0.201573     -0.120707      0.162934
     20.96092     11.36147     14.67274         0.245249     -0.248920     -0.102736
     19.66277     11.60950     14.14903        -0.785118     -0.070513     -0.091439
     19.23100     12.95415     13.99518        -0.260683     -0.474484     -0.075631
      0.35540     12.54720     15.05830        -0.688835      0.141780     -0.043044
     -0.07341     13.86116     15.00384        -0.711740     -0.399674     -0.068521
     19.94847     14.10950     14.40519        -0.509617     -0.221575      0.182822
     18.66523     10.47209     13.54941         0.847580      1.923261     -0.244523
      2.49823     10.73662     16.00097         0.352866     -0.309421     -0.857302
     16.16874      0.41643      5.12226         0.449672      0.498096      0.924448
     17.01720      0.91460      6.11283        -0.846702      0.209271     -0.304657
     17.08039      2.29636      6.39645        -0.150627     -0.850236      0.164669
     15.29451      1.27222      4.48795        -0.006650      0.194042      0.030729
     15.33921      2.63492      4.78526         0.339990      0.070784      0.347965
     16.25489      3.20139      5.71222        -0.509917      0.633249     -0.195680
     16.44178     20.24404      4.98170        -1.989481     -2.067638     -2.595414
     17.70977     20.98934      6.65971         1.764421      0.225274      2.198064
     16.28743      4.71925      5.96562        -0.334510     -0.511165     -0.314840
     17.16848      5.31829      6.88065         0.003660      0.725664      0.319337
     17.13855      6.71396      7.10982        -0.727916     -0.465452     -0.631888
     15.39267      5.59692      5.29197         0.203312      0.059611      0.190803
     15.36383      6.98097      5.50785         0.404942     -0.509475      0.177537
     16.25244      7.53702      6.41836         0.364393     -0.598240      0.172464
     16.47580      8.90915      6.88368        -2.044167      3.151386     -1.346982
     17.81931      7.58347      8.06979         2.412208     -1.147539      3.271490
     17.91755     10.09594      8.58085         0.032781      0.143290      0.387497
     18.92289      9.98768      9.52447         0.322373      0.753670      0.445288
     19.47925     11.12475     10.12124        -1.349064     -0.457297     -0.825179
     17.50078     11.42317      8.36238        -0.172858      0.832565      0.470642
     17.99135     12.55158      9.08374        -0.723356      0.112000     -0.535344
     19.04922     12.45317     10.03845        -0.023210      0.314379      0.325907
     19.72408     13.57924     10.83592         0.384785      0.239019      0.140008
     20.95620     13.52642     11.61441        -0.890829     -1.063265     -0.795389
      0.31254     14.62578     12.14348         0.742232      0.288183      0.598595
     19.26649     14.90695     10.84006         0.064349     -0.429765     -0.187634
     19.89222     16.04111     11.35069         1.150660      0.202078      0.353243
     21.12201     15.96604     12.01448         0.110124     -1.849641     -0.296809
      0.39159     12.20893     11.87180         1.065116      1.676503     -0.367232
     17.32609     13.89435      8.73878        -0.060090     -0.688332      0.788039
     20.25041      1.25691      6.18214         0.041777      0.803438     -0.303349
     19.69354      2.31233      5.45475         0.752933      0.258504      0.570570
     19.80642      3.62740      5.90205        -0.292009     -0.246552     -0.851276
     20.82651      1.49005      7.42330        -0.009695      0.828037     -0.214376
     20.92775      2.81345      7.86810        -0.177411      0.005952     -0.394317
     20.44702      3.92072      7.10148         0.518190     -0.006095      0.862641
     20.00593      0.05187      5.41024         0.929334     -4.540322      0.529506
     19.00028      1.73726      4.30111        -1.855120      0.994531     -3.044337
     20.63624      5.34822      7.53720        -0.023991     -0.660477      0.277145
     20.23631      6.36470      6.67809        -0.294423      1.629576     -0.095648
     20.46027      7.71676      7.01507         0.162773     -0.873558      0.552391
     -0.04069      5.71029      8.77858        -0.376857      0.767110     -0.276489
      0.22067      7.05054      9.11169        -0.132324     -0.350509     -0.084388
     21.10493      8.05002      8.21051        -0.512371     -2.583476     -0.926775
     21.18343      9.43460      8.25950         3.182695      5.626826      4.478178
     20.05897      8.97977      6.36616        -0.659670      0.726509     -1.165221
     20.27541     11.48198      6.96399         0.669200      0.723515      0.424218
     19.46559     11.89734      5.91397         0.199698      0.511160     -0.036694
     19.18261     13.25155      5.71987         0.807044     -0.643230      0.728398
     20.80092     12.56506      7.73908         0.099763      0.392222     -0.397896
     20.56677     13.94184      7.45975         0.293426      0.088026     -0.015011
     19.66915     14.35914      6.42264         0.195048      0.174149      0.098374
     19.14670     15.78222      6.16462         0.300075     -0.080844      0.090084
     18.25818     16.16594      5.13777        -0.256281      0.466804     -0.808184
     17.77247     17.49102      5.01730         0.166164     -0.180319     -0.164580
     19.42911     16.88775      6.99943        -0.823557      0.482612     -1.228807
     18.92326     18.18487      6.94638         0.127469     -0.845127     -0.373285
     18.02493     18.51889      5.93830         0.098455      0.127987      0.187844
     17.76060     15.20390      4.07069         0.256882     -0.079847      0.008990
      0.03854     14.99549      8.31112        -0.041739     -0.251647     -0.549094
     12.30142      5.29919      4.00456         0.319710      0.114107      0.774529
     12.91089      3.74346     20.60453         0.109185     -0.220796     -0.501673
     13.00682      6.11034     21.11288        -0.066074      0.219621     -0.313795
     12.44972      7.49085      4.33737         0.149461     -0.294483      0.588570
     13.25091      7.92595      0.14455        -0.012909     -0.099418     -0.304113
     13.54939     10.31866      0.42390         0.106512      0.376545     -0.476643
     13.04301     13.61042      8.44602        -0.321439     -0.320705      1.592523
     12.78488     11.85490      7.13904         0.360644     -0.580374      0.064454
     13.95385     14.28182      3.81708         0.531294     -0.182644     -0.566914
     13.02452     17.13591     11.33893        -0.187038     -0.012899      0.324583
     14.46347     17.81867      6.82754         0.762381     -0.063944     -0.527087
     14.68937     19.55953      8.21089         0.172260      0.304865      0.157535
     10.22513      6.83544      3.36667        -0.090597      0.361900     -0.440146
      9.37021      3.46832      6.86683         0.180582     -0.310465      0.287907
      9.53076      5.82601      7.50298         0.111195      0.046352      0.216214
     10.61204      8.69843      3.94294        -0.304440     -0.192710     -1.170555
      9.63588      7.73237      7.99985         0.069041     -0.230770      0.217597
      9.88905     10.09178      8.62318         0.034170      0.131279      0.329858
     12.29196     15.78611      2.52187         0.429847      0.120938     -0.810077
     11.76150     13.67519      2.93765        -0.243209     -0.309851     -0.051908
     10.80487     14.87793      6.93700        -0.474519     -0.170407      0.380284
     12.63559     20.20439      1.12321         0.735958      0.183621     -0.531497
     11.70972     19.21817      5.65410        -0.415159     -0.256470      1.164240
     11.81820      0.12334      5.18065         0.107829      0.403802     -0.097525
      9.72777      9.30456     17.18398         0.241112      0.170043      0.991335
     10.10435      7.77669     12.50994         0.175794     -0.231495     -0.700104
     10.28164     10.13897     13.02879        -0.125906      0.061813     -0.153994
      9.84071     11.41030     17.60811         0.243550     -0.245036      0.472617
     10.55625     12.04121     13.41032        -0.022016     -0.056894     -0.225175
     10.81702     14.42885     13.80553         0.036357      0.423571     -0.516016
      9.78817     17.70125      0.48624        -0.846754     -0.238763      1.235790
      9.96523     15.87307     20.60082        -0.038461     -0.489612     -0.131718
     10.73006     18.34520     17.18809         0.715317     -0.163153     -0.674491
      9.67504      0.00337      3.41090        -0.588899      0.271188     -0.072005
     10.90888      0.77491     20.15423         0.788639      0.078879     -0.259264
     10.55951      2.59138      0.11790        -0.099592      0.747095     -0.186989
      7.78472     10.58835     16.11992        -0.296156      0.532058     -0.638328
      6.91336      7.24789     19.64811         0.080514     -0.375330      0.336796
      6.93670      9.61610     20.22064         0.191564      0.077571      0.338140
      7.90797     12.67261     16.71344        -0.246942     -0.036592     -0.960157
      6.79101     11.47771     20.66486         0.141797     -0.202791      0.225332
      6.78985     13.79502      0.09548         0.218060      0.052519      0.585373
      9.52090     19.87360     15.98678        -0.160390      0.186291     -0.358429
      8.90284     17.76481     16.16400        -0.156532     -0.462409     -0.081413
      7.24820     18.83192     19.98675        -0.407334     -0.292484      0.533618
      9.44045      3.01622     14.33432         0.485418     -0.121003     -0.369367
      8.54592      2.05666     18.94262        -0.444438     -0.381941      1.024258
      8.81822      4.21623     18.40772         0.250784      0.678908      0.436471
      6.81299     13.02732      8.71418        -0.082112      0.151148      0.645743
      7.54707     11.33964      4.09460         0.049385     -0.180672     -0.494100
      7.79804     13.71530      4.57540        -0.008145      0.160817     -0.142825
      6.81613     15.15631      9.00232        -0.106996     -0.223766      0.546872
      8.05195     15.57033      4.89870         0.000060     -0.107146     -0.166489
      8.18437     17.96280      5.15920        -0.019023      0.384942     -0.669876
      6.22699      0.28224     12.77138        -0.880454     -0.367656      1.261702
      6.58263     19.66730     11.67640         0.350501     -0.683067     -0.004195
      8.09548      0.79241      8.49223         0.274550      0.013660     -0.737100
      6.63726      3.76107     15.97538        -0.417194      0.256821      0.530049
      8.03865      4.45472     11.51754         0.905452      0.285045     -0.486761
      7.94866      6.23404     12.77610         0.077701      1.013545     -0.275970
      3.59726     14.44183      9.13445        -0.162185      0.280036     -0.556178
      4.56679     11.30027     12.84516         0.114485     -0.433995      0.449055
      4.66261     13.70583     13.24025         0.041802      0.009697      0.025215
      3.98300     16.40972      9.39519        -0.225388     -0.346927     -0.629403
      4.61762     15.65601     13.61877         0.220205     -0.107887     -0.119783
      4.96602     18.04823     13.95253         0.449267      0.099606      0.080284
      5.43464      2.30829      7.43831         0.250744      0.198971     -1.198455
      4.95708      0.20632      7.98899        -0.125720     -0.148871      0.047482
      4.50906      1.56846     12.03844        -0.541986     -0.126280      0.260953
      6.72875      6.62503      6.01416         0.354239      0.151090     -0.134004
      5.45738      5.92903     10.48695        -0.682500     -0.257915      2.021733
      5.84219      8.00753      9.97078         0.077395      1.070825      0.657140
      2.10045     16.46264      3.20102         0.145488      0.174886      0.530767
      0.48913     14.96237     20.04465        -0.562154     -0.658481     -1.258867
      0.54487     17.28461     20.51036        -0.270407      0.162848     -0.125926
      1.81622     18.75363      3.56614         0.170593     -0.193159      0.376827
      0.26090     19.03150     20.79564        -0.076385     -0.269825     -0.346943
      0.04265      0.16820     21.01873        -0.174195      0.116138     -0.323954
      2.55264      3.83848      6.95184         0.225064     -0.232258      1.196817
      2.35141      2.01626      5.89877        -0.140755     -0.002518     -0.354351
      0.75816      4.33139      2.65827        -0.597147     -0.059941     -0.713358
      3.74415      7.52538      9.47408        -0.319161      0.319459     -0.149576
      1.87748      8.24108      5.13638        -0.765657      0.543789     -1.025162
      2.50284     10.06575      6.25694        -0.127363      1.547433     -0.360769
      3.27960     17.03175     21.09815        -0.038723      0.403795     -0.692108
      6.02971     13.80497      2.34792         0.198756     -0.409966      0.478069
      6.06331     16.13862      2.97299         0.167836      0.131376      0.287206
      3.40577     19.25214      0.46978        -0.249643     -0.019137     -0.617869
      6.17210     17.99987      3.51895         0.070506     -0.187417      0.090084
      6.39873     20.29340      4.27335         0.353629      0.081480      0.497704
      1.92328      5.43633      0.51138        -0.486345      0.210693     -0.402911
      2.40814      3.36773      0.43923         0.366945     -0.014499      0.545481
      4.80685      3.96942      3.93500         0.529679     -0.418887      0.584269
      1.55463     10.26487     21.12978        -0.327250     -0.005963      0.635222
      4.11147      8.71728      3.55497         2.064908     -0.554605      2.372373
      3.69371     10.87446      3.53484         0.590764      1.293335      1.361059
     20.45332     19.55100     14.69133         0.349950      0.119353      0.817206
     16.61033     17.82265     12.10458        -0.347311     -0.215203     -0.339030
     16.91207     20.22718     12.38903        -0.156947      0.167753     -0.153392
     20.66633      0.31137     14.97593         0.392950     -0.307541      0.458129
     16.97660      0.85383     12.83092        -0.200603     -0.129241     -0.080256
     16.99528      3.24071     13.36583        -0.580213      0.378940     -0.348023
      2.53990      6.69446     17.20728        -1.356051     -0.082656      0.811875
      1.47000      4.70978     17.00087        -0.189858     -0.293868      0.288311
     19.35584      7.09378     15.94191        -0.833900      0.016629     -0.060975
      4.41754     10.04060     20.25213         1.241488     -0.072946      0.474635
      0.24502     10.66675     18.19432        -4.350857      1.200860     -1.464652
      1.30882     12.51745     18.71307        -0.052048      0.575106      0.717025
      0.72575     21.14325     13.41452        -0.257612      0.292372     -0.588043
      3.72951     17.78623     15.39991         0.292200     -0.479450      0.612856
      4.22581     20.15688     15.70917        -0.087533      0.103249      0.199780
      0.96618      1.80635     13.82340        -0.679280     -0.245341     -1.040398
      4.38687      0.87100     16.18003        -0.424608     -0.311867      0.679584
      4.74560      3.24677     16.67060        -0.219621     -0.037317      0.379070
     20.06465      8.90679     13.83846        -0.952401      0.035464     -0.472895
     20.76780      6.79530     13.84385         0.075155     -0.274091     -0.234252
      2.91020      8.13305     16.08186         0.672542     -0.009696     -0.656023
     18.36593     13.11382     13.37572        -0.575615      0.102299      0.148114
      1.33422     12.53565     15.41444         0.895541     -0.081546     -0.181160
      0.63865     14.60772     15.31977        -0.124377      0.288785      0.070869
     17.81551      2.65856      7.08501         0.203888      0.069971      0.724759
     14.56765      0.87072      3.80981        -0.236055     -0.108750     -0.493502
     14.62541      3.27050      4.28801        -0.130688      0.253973     -0.184510
     17.88592      4.71850      7.40477         0.322480     -0.283105      0.486332
     14.69156      5.19493      4.57193        -0.145135     -0.090085     -0.160484
     14.66890      7.59836      4.98245        -0.457579      0.401012     -0.388160
     20.32218     10.84962     10.64884         0.976516     -0.277356      0.404014
     19.45193      9.07383      9.75097        -0.432168     -0.343814      0.073632
     16.75502     11.62362      7.62407        -0.494195      0.042439     -0.433102
      1.10512     14.36742     12.84255         0.316418      0.487325     -0.402403
     18.44735     15.18118     10.22475        -0.610025      0.040420      0.355223
     19.45927     16.98465     11.11327        -0.302208      0.732782     -0.153849
     19.35795      4.39963      5.29330        -0.074249      0.211507     -0.207962
     21.16200      0.68273      8.03570         0.368622     -0.618248      0.398307
      0.18445      2.98539      8.80487        -0.072456      0.053923      0.242588
     19.71407      6.17278      5.75325        -0.021934     -0.139190     -0.216018
      0.29001      4.94855      9.46499        -0.342104     -0.078766      0.331223
      0.70891      7.27931     10.05689        -0.025432      0.153580      0.066645
     18.52243     13.35709      4.93363        -0.881559      0.160645     -0.963164
     19.03095     11.22103      5.19929        -0.138885     -0.399787     -0.068169
      0.12374     12.35295      8.61290         0.567960     -0.244522      0.201914
     17.07400     17.67098      4.22582        -0.035770      0.235262     -0.481830
     20.06110     16.80839      7.80162         1.145668     -0.164247      1.033386
     19.34266     18.87438      7.65555        -0.214576      0.443536      0.275298
     14.03208     19.30421     10.63497        -0.146521      0.320780      0.611683
     18.72284     20.96511      3.75183        -0.546394     -1.084745     -1.079710
     12.48967      1.20516      2.69768         0.342070      0.136201      0.448913
     13.44756     11.66396      4.45066         0.079860     -1.488737      0.860683
      9.84797      2.63357      2.81889        -0.581187      0.319133      0.452729
     10.76050     12.66939      5.35880        -0.418579     -0.075672     -1.025009
      9.61593      5.23016     15.92016         0.637792     -0.321096     -1.203588
     10.46637     15.66673     17.83125         0.348275     -0.289643      1.126669
      7.11362      6.42849     15.49618        -0.591690     -0.146441      0.073423
      7.69256     16.60567     18.36297        -0.499308     -0.092633     -0.358135
      6.53501      8.95574      7.45378         0.364243      0.330751     -0.662572
      7.39049     19.41099      9.06172         0.316157     -0.576862     -0.200235
      3.48965     10.18351      8.89231         0.118237      0.073628      0.394792
      4.40923     20.50650     10.56905        -0.435643     -1.180712      0.208731
      2.26120     12.37715      1.61662        -1.052207     -0.305037     -0.870352
      1.33558      1.72702      3.41623        -0.504510     -0.900887     -1.014865
      3.63832     12.77508     20.27042         0.119555     -1.245607     -0.055579
      4.09738      1.90374      2.18937         0.026376     -0.015136     -0.271555
     19.50182     15.45009     14.13180         0.675242      0.037577      1.307768
     20.13270      4.47717     15.89476         0.639592     -0.928994      0.294790
      0.60021     16.98805     12.64126         0.203629      0.867400     -0.086698
      2.00645      5.83807     14.75654        -1.076133     -0.256616     -1.015749
     17.43923     19.83616      5.86886        -0.471586      0.227850     -0.089974
     17.47491      8.94913      7.86115        -0.585543     -0.752224     -0.287797
     19.20505      0.35108      4.31403         1.634999      2.524361      1.554094
     20.53337     10.09903      7.20787         0.000025     -1.704598     -0.779961
     12.09239      2.33988      4.74704         0.637454     -0.098426     -0.591398
     12.97075      0.98265      0.41917         0.403884      1.074184      1.541395
     12.94355      9.94207      6.03694         0.807060      0.436982     -1.131339
     13.71836     12.63846      2.32796        -0.493335     -2.710158      1.948616
     10.10974      4.50471      1.39867        -0.736603     -0.733330      1.399867
      9.40410      1.44634      4.82547         0.101515      1.483601     -0.873610
     10.92790     11.58034      3.29115         0.014576      0.355912     -4.524511
     10.31129     12.88134      7.64903         0.100592     -1.214853     -1.715878
      9.42861      6.39210     17.93058         0.658491     -0.001530     -0.429666
      9.99711      5.00413     13.64099         1.653196     -4.638515     -5.928092
     10.04969     13.88831     19.39671         0.906208      0.928006     -1.507706
     10.79797     16.66724     15.72801        -0.165219     -1.861956      1.536307
      7.48296      8.29299     14.15029        -0.607457      0.149098     -0.521419
      6.79888      5.21021     17.50622        -0.215834      1.944464     -1.223720
      8.14568     15.64605     16.27412        -0.198136      0.373476     -2.303801
      7.11967     16.66977     20.63425         0.335537     -1.100952     -1.646483
      6.39121     10.15019      9.47903         0.522955      0.044399     -1.513749
      7.03639      8.62713      5.18889        -0.108768      1.113190      1.287740
      6.81262     17.70328     10.60113         1.106728      0.771004     -2.319958
      8.07685     20.33280      7.03372        -0.661251     -1.418233      0.818687
      3.07267     11.98296      7.43256         0.484218     -0.631442      1.577502
      4.05137      9.09090     10.90556        -0.527245      1.597710     -0.933694
      4.25713     19.29037      8.52965        -0.102187      0.066544     -0.444755
      4.61013     20.68694     12.99635        -0.720595     -2.930178     -4.748511
      2.97944     13.39899      3.64384        -1.490000      0.128224     -3.151858
      0.78884     12.26113     21.03400        -1.571958     -1.438718     -1.045511
      2.13309      0.13296      4.97906        -0.765503      0.413103     -1.971611
      0.45715      2.55892      1.41258         0.080468     -1.450742      0.995916
      2.56472     14.52780     19.18312         1.966050     -0.759923      1.505986
      4.98885     11.65120      0.59467        -0.830412      1.533992     -0.761548
      2.88077      1.05039      0.35738         1.652397     -0.122870      1.407594
      5.67270      1.87357      3.91089        -0.864385     -0.861777     -1.241229
     -0.09857     16.70168     15.23848         3.160018     -0.061724      3.317008
     17.55295     15.05499     12.89007         1.610543      1.878131      1.332903
      0.39241      2.76045     16.44364        -0.582986      0.037160      0.447316
     18.39620      5.49441     14.71113         0.828463     -1.226035      0.341763
     20.75000     18.94248     11.82867         1.303026     -1.037663      0.180073
      2.16874     15.71035     13.96265        -1.615995      3.160813     -0.887589
      0.28947      4.71032     13.55472        -1.449937      0.250463     -1.353367
      3.86275      5.93670     16.18477        -0.268896     -0.122110     -0.772787
     18.45704     21.01920      7.64827        -0.923665     -0.342231     -0.404538
     15.87108     19.49288      4.14591         0.922166      1.157727      1.173753
     18.56206      7.17924      9.00089        -1.755807      0.653783     -1.222467
     15.85091      9.92785      6.49479         0.968906     -1.558183      0.386942
     18.30369      2.30003      3.41977         1.187261     -0.556588      1.408996
     20.35968     20.11984      5.66236        -0.073224      2.428322     -0.576775
     19.41571      9.10411      5.32546         0.266691      0.016542      0.633486
      0.53923     10.07147      9.23526        -1.719259     -2.214816     -3.629389
     13.58022     17.65686      5.36526         0.713478     -0.339188     -0.627685
     15.58459     16.88020      5.56556        -0.378494     -0.526823     -0.241335
     14.46150     16.49225      3.74125         0.265786      0.026538     -0.577567
     11.95595     15.13043     11.25600         0.007035      0.425502      0.082537
     11.46321     14.57724      9.21297         0.338056      0.063835      0.909181
     13.44398     13.97252     10.18910        -0.543526     -0.046771      0.352102
     11.96438     18.29667      7.19159        -0.751101     -0.894754      0.034069
     10.02148     18.41046      6.26678         0.175158     -0.281265      0.561290
     10.44110     16.87870      7.82604        -0.147573      0.085365     -0.053162
     12.90073     18.17859      0.14723         0.772005      0.616518     -0.510267
     13.83105     16.77213      1.55079         0.792169      0.047187     -0.479251
     11.77999     16.59968      0.97874        -0.422658     -0.246931     -0.062531
     10.01447      0.37765     18.72131         1.148772     -0.213107     -0.616452
     12.14767     -0.03340     18.78404         0.056784     -0.405714     -0.181853
     11.02139     20.68808     17.00811         0.780390      0.057047      0.340320
      9.24460     19.14537      3.53901        -0.216869      0.135470     -0.084588
      8.25768     18.51213      1.67949         0.108530      0.307753      0.299193
     10.34977     18.10379      2.01487        -0.357127     -0.906727      0.669106
      8.23680      0.84289     20.48940        -1.244266     -0.728404     -0.535436
      6.55693      1.23490     19.15780        -0.642606     -0.626703      0.398350
      6.43889     20.88257     20.68542        -0.143475     -0.006980     -0.066701
      9.09606      0.90508     13.35873         0.492267     -0.277600      0.653594
     10.41351     21.00189     14.62153         0.601299      0.329844      0.110615
      8.36181     20.42577     14.48808         0.492875      0.416853     -0.518742
      7.50998      4.10725      9.91293         1.471762     -0.545335     -0.361660
      9.51275      3.48689     10.46132         0.213850     -0.567292     -0.580986
      8.66908      2.94929      8.49722         0.660631     -0.171987     -0.191679
      6.24429      1.63096     16.09014        -0.544829      0.600694     -0.887946
      5.02874      1.53805     14.11902         0.605247      0.002072      0.226676
      6.86788      0.60159     14.40385         2.059332     -4.830247     -0.600222
      5.81691      4.96173     11.88261        -1.320624     -0.381003      0.090489
      3.69923      5.08976     11.68599        -0.083773     -1.206575      1.190292
      4.56999      3.54557     12.95559        -0.584233      0.133973     -0.146569
      6.83932      4.40808      5.11240         0.750227     -0.111998      0.132404
      7.12284      2.96864      6.70619        -0.017687      0.131140     -0.492233
      5.11316      3.35809      5.93768         0.641093      0.877485      0.115541
     -0.00515      7.40258      4.56286        -0.096561     -0.285673     -0.675673
      1.83184      7.60218      3.47756        -1.090562      0.112961     -0.251779
      0.15405      6.48574      2.60402        -0.358858      0.119006     -0.248807
      3.53841      5.43050      9.64790        -0.666124     -0.182526     -1.199361
      2.02158      4.39942      8.56874         0.561167      0.569116      0.320750
      3.94479      4.53454      7.60970        -0.064854      0.398388      0.715747
      5.69630      7.29955      3.50997         0.318641     -0.566059      0.311559
      3.89041      7.44789      4.73032         0.813649     -0.518618     -0.100300
      5.12450      5.77623      5.02768         0.347150     -0.460621      1.219807
      1.18010      8.14453     20.10274        -1.045080     -0.101929      0.850305
      2.79986      6.96209     -0.27269         0.062829     -1.409661     -1.746948
      0.68494      6.75845      0.32256         0.063664      0.817947      0.224598
     19.77655      9.62902     18.61081        -0.755457     -0.527070     -0.600908
     20.46659     10.49975     16.73493        -1.070222     -0.986509      0.759756
     18.78017      9.13668     16.65421        -0.535972     -0.137702      0.926666
      4.72607      7.78977     19.96401        -0.111022      0.058813     -0.134946
      3.18614      6.67306     18.98113        -1.386098     -3.579276     -0.081864
      4.48926      7.75653     17.76895         0.155448      0.618261     -0.162636
      3.12203     11.54745     15.04891        -0.083607     -0.330359      0.101221
      1.80962     11.60950     16.80606         0.889872     -0.037446     -1.310477
      3.49367     10.26433     16.76982         0.726643     -0.087432     -0.640533
     17.58777     11.08143     13.02480        -0.921578      0.339947      0.228652
     19.09114      9.68532     12.49190        -0.009528      0.055907      0.158462
     18.29171      9.62297     14.50753        -0.859425     -0.165675      0.069434
     16.67859     14.39503      9.86096        -0.378371     -0.248311     -0.509050
     18.21915     14.87105      8.37970        -1.002252     -0.239865      0.041383
     16.41665     13.82033      7.74391        -0.041338     -0.028118      0.001159
      1.37127     12.22713     12.83303         0.289826      0.260557     -0.631957
     20.79227     11.27135     12.22498         0.585079     -1.146764      0.083648
      1.02130     11.80511     10.74256         0.388584      0.071620     -0.157596
      0.72904     15.91554      7.53229         0.100705     -0.741559      0.304947
     20.45882     15.77619      9.09917         1.329793     -0.521634     -0.792726
      0.91394     14.45196      9.18847         0.359272     -0.006656     -0.330793
     17.05771     15.73737      3.05341        -0.035604      0.487754     -0.090116
     18.83909     14.57017      3.45920        -0.511784      0.215162     -0.187940
     16.90499     14.23676      4.60701         0.220089      0.436099     -0.432258
 -----------------------------------------------------------------------------------
    total drift:                               -0.002934      0.002617     -0.012654


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4519.0260089265 eV

  energy  without entropy=    -4519.1643165256  energy(sigma->0) =    -4519.07211146
 
 d Force = 0.7365297E+01[-0.109E+02, 0.256E+02]  d Energy = 0.7066317E+01 0.299E+00
 d Force = 0.3867142E+04[ 0.375E+04, 0.399E+04]  d Ewald  = 0.3866710E+04 0.432E+00


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -7.066317  1 .order   -7.365297  -25.647426   10.916832
  (g-gl).g = 0.515E+02      g.g   = 0.505E+02  gl.gl    = 0.843E+02
 g(Force)  = 0.505E+02   g(Stress)= 0.000E+00 ortho     =-0.900E-01
 gamma     =   0.61043
 trial     =   0.50810
 opt step  =   0.35108  (harmonic =   0.35640) maximal distance =0.09540797
 next E    = -4520.721713   (d E  =  -8.76202)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   17(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) :-0.4108707E+00  (-0.5595056E+02)
 number of electron    2498.0000132 magnetization 
 augmentation part      163.3696873 magnetization 

  free energy =  -0.451943687434E+04  energy without entropy=  -0.451957849712E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   17(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3632
 total energy-change (2. order) :-0.1347961E+01  (-0.1614749E+01)
 number of electron    2498.0000131 magnetization 
 augmentation part      163.3991711 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8089
  0.8089

  free energy =  -0.452078483529E+04  energy without entropy=  -0.452092528419E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   17(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3736
 total energy-change (2. order) : 0.5889019E-01  (-0.4102201E-01)
 number of electron    2498.0000131 magnetization 
 augmentation part      163.3256677 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2872
  1.2872  1.2872

  free energy =  -0.452072594510E+04  energy without entropy=  -0.452086746451E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   17(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) : 0.1505468E-01  (-0.2210601E-01)
 number of electron    2498.0000131 magnetization 
 augmentation part      163.3536982 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2973
  2.1790  0.8565  0.8565

  free energy =  -0.452071089043E+04  energy without entropy=  -0.452085226094E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   17(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) :-0.4947286E-02  (-0.5467381E-02)
 number of electron    2498.0000131 magnetization 
 augmentation part      163.3320784 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3243
  2.3681  1.0253  1.0253  0.8787

  free energy =  -0.452071583771E+04  energy without entropy=  -0.452085807007E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   17(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3624
 total energy-change (2. order) : 0.2505390E-02  (-0.2884403E-02)
 number of electron    2498.0000131 magnetization 
 augmentation part      163.3185255 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2587
  2.3998  1.1089  1.1089  0.8378  0.8378

  free energy =  -0.452071333232E+04  energy without entropy=  -0.452085494061E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   17(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) :-0.2479124E-03  (-0.6115608E-03)
 number of electron    2498.0000131 magnetization 
 augmentation part      163.3231575 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2321
  2.4150  1.0376  1.0376  1.0615  1.0615  0.7796

  free energy =  -0.452071358023E+04  energy without entropy=  -0.452085595176E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   17(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3568
 total energy-change (2. order) : 0.8018446E-04  (-0.7809226E-04)
 number of electron    2498.0000131 magnetization 
 augmentation part      163.3241368 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2518
  2.4746  1.2679  1.2679  1.0918  1.0918  0.8604  0.7081

  free energy =  -0.452071350005E+04  energy without entropy=  -0.452085553062E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   17(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) :-0.1268327E-03  (-0.5472420E-04)
 number of electron    2498.0000131 magnetization 
 augmentation part      163.3244997 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2509
  2.5512  1.8009  1.0315  1.0315  1.1108  0.9112  0.9112  0.6586

  free energy =  -0.452071362688E+04  energy without entropy=  -0.452085595623E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   17(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3600
 total energy-change (2. order) :-0.8396801E-04  (-0.7703005E-05)
 number of electron    2498.0000131 magnetization 
 augmentation part      163.3254481 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2621
  2.6482  2.0170  1.0858  1.0858  1.0444  1.0444  0.9005  0.9005  0.6322

  free energy =  -0.452071371085E+04  energy without entropy=  -0.452085601524E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   17(  11)  ---------------------------------------



 eigenvalue-minimisations  :  3264
 total energy-change (2. order) :-0.9501496E-04  (-0.7371642E-05)
 number of electron    2498.0000131 magnetization 
 augmentation part      163.3254122 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2479
  2.6429  2.0432  1.0517  1.0517  1.2393  1.2393  0.8557  0.8557  0.8519  0.6475

  free energy =  -0.452071380587E+04  energy without entropy=  -0.452085616142E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   17(  12)  ---------------------------------------



 eigenvalue-minimisations  :  2368
 total energy-change (2. order) :-0.6997833E-04  (-0.1025598E-05)
 number of electron    2498.0000131 magnetization 
 augmentation part      163.3253002 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3183
  2.6491  2.5670  1.5290  1.5290  1.0526  1.0526  0.8907  0.8907  0.9146  0.7759
  0.6504

  free energy =  -0.452071387584E+04  energy without entropy=  -0.452085625644E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   17(  13)  ---------------------------------------



 eigenvalue-minimisations  :  2440
 total energy-change (2. order) :-0.8920353E-04  (-0.1347901E-05)
 number of electron    2498.0000131 magnetization 
 augmentation part      163.3252216 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3323
  3.1953  2.5575  1.5407  1.5407  1.0523  1.0523  0.8861  0.8861  0.9394  0.9394
  0.6501  0.7474

  free energy =  -0.452071396505E+04  energy without entropy=  -0.452085638229E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   17(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2336
 total energy-change (2. order) :-0.3872527E-04  (-0.7045877E-06)
 number of electron    2498.0000131 magnetization 
 augmentation part      163.3252295 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3500
  3.6300  2.5442  1.5725  1.5725  1.0448  1.0448  1.1031  1.1031  0.9099  0.9099
  0.8220  0.6465  0.6465

  free energy =  -0.452071400377E+04  energy without entropy=  -0.452085643462E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   17(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2312
 total energy-change (2. order) :-0.2740743E-04  (-0.2916656E-06)
 number of electron    2498.0000131 magnetization 
 augmentation part      163.3252915 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4087
  4.2585  2.5490  1.6699  1.6699  1.4636  1.0505  1.0505  0.9516  0.9516  0.9739
  0.8865  0.8865  0.6528  0.7064

  free energy =  -0.452071403118E+04  energy without entropy=  -0.452085647464E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   17(  16)  ---------------------------------------



 eigenvalue-minimisations  :  2320
 total energy-change (2. order) :-0.2043677E-04  (-0.2170454E-06)
 number of electron    2498.0000131 magnetization 
 augmentation part      163.3252978 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4443
  4.6340  2.6173  2.1259  1.4072  1.4072  1.0594  1.0594  1.2425  1.2425  0.8778
  0.8778  0.8792  0.8792  0.6505  0.7054

  free energy =  -0.452071405162E+04  energy without entropy=  -0.452085650065E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   17(  17)  ---------------------------------------



 eigenvalue-minimisations  :  2264
 total energy-change (2. order) :-0.1037947E-04  (-0.1047879E-06)
 number of electron    2498.0000131 magnetization 
 augmentation part      163.3252718 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4745
  5.1339  2.6896  2.3508  1.4616  1.4616  1.0609  1.0609  1.3124  1.3124  0.9028
  0.9028  0.8523  0.8523  0.8597  0.6509  0.7267

  free energy =  -0.452071406200E+04  energy without entropy=  -0.452085651294E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   17(  18)  ---------------------------------------



 eigenvalue-minimisations  :  2256
 total energy-change (2. order) :-0.5928479E-05  (-0.7789576E-07)
 number of electron    2498.0000131 magnetization 
 augmentation part      163.3252718 magnetization 

  free energy =  -0.452071406792E+04  energy without entropy=  -0.452085651997E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.8912       2 -56.0880       3 -55.9489       4 -55.7321       5 -55.7559
       6 -56.2536       7 -57.9068       8 -58.2573       9 -56.2764      10 -55.9593
      11 -56.0274      12 -55.7884      13 -55.7465      14 -55.9476      15 -58.0011
      16 -58.1609      17 -56.3779      18 -54.9673      19 -54.6474      20 -55.1962
      21 -55.6174      22 -55.5284      23 -55.5215      24 -55.5809      25 -55.0128
      26 -54.5821      27 -54.8302      28 -54.9324      29 -60.4495      30 -60.5132
      31 -55.6311      32 -55.8332      33 -55.6908      34 -55.2624      35 -55.5143
      36 -55.9889      37 -57.8445      38 -58.0819      39 -56.0235      40 -55.6504
      41 -55.8723      42 -55.6855      43 -55.7119      44 -55.8133      45 -57.9676
      46 -58.2808      47 -56.5677      48 -55.2103      49 -54.8884      50 -55.3435
      51 -55.9373      52 -55.7804      53 -55.6027      54 -55.8647      55 -55.1385
      56 -54.6660      57 -54.9432      58 -56.4230      59 -60.5832      60 -60.7059
      61 -55.8130      62 -55.9503      63 -55.8438      64 -55.6662      65 -55.7219
      66 -56.1437      67 -58.0008      68 -58.0958      69 -56.1852      70 -55.8655
      71 -55.9924      72 -55.6875      73 -55.6052      74 -55.8630      75 -58.0515
      76 -58.2334      77 -56.5430      78 -55.0831      79 -54.7109      80 -55.3664
      81 -55.8025      82 -55.7492      83 -55.6532      84 -55.7392      85 -55.1009
      86 -54.8234      87 -55.0319      88 -56.4991      89 -60.7097      90 -60.6752
      91 -55.5389      92 -55.6691      93 -55.5308      94 -55.2621      95 -55.3397
      96 -55.8654      97 -57.7921      98 -57.9509      99 -55.9757     100 -55.7006
     101 -55.8372     102 -55.4643     103 -55.4621     104 -55.7277     105 -57.9307
     106 -58.2137     107 -56.5315     108 -55.0825     109 -54.9384     110 -55.3099
     111 -55.8708     112 -55.7593     113 -55.7067     114 -55.8615     115 -55.2988
     116 -54.8445     117 -55.0097     118 -56.4543     119 -60.5894     120 -60.5495
     121 -55.8314     122 -55.9114     123 -55.7650     124 -55.6953     125 -55.7187
     126 -56.1061     127 -57.8923     128 -58.0839     129 -56.0401     130 -55.7071
     131 -55.8377     132 -55.5843     133 -55.5035     134 -55.7293     135 -57.8271
     136 -58.0128     137 -56.4845     138 -55.0308     139 -54.6904     140 -55.2826
     141 -55.7974     142 -55.8100     143 -55.6770     144 -55.6282     145 -55.1700
     146 -54.8690     147 -55.1297     148 -56.4167     149 -60.6195     150 -60.7052
     151 -55.5147     152 -55.6066     153 -55.4773     154 -55.3095     155 -55.3797
     156 -55.8151     157 -57.7033     158 -57.7906     159 -55.9292     160 -55.5989
     161 -55.8404     162 -55.5136     163 -55.5464     164 -55.7463     165 -57.9137
     166 -58.2293     167 -56.6650     168 -55.2725     169 -54.8455     170 -55.4609
     171 -55.9364     172 -55.8986     173 -55.8595     174 -55.8026     175 -55.1642
     176 -54.6744     177 -54.9666     178 -56.3850     179 -60.5783     180 -60.6609
     181 -55.7710     182 -55.9816     183 -55.7893     184 -55.5115     185 -55.5661
     186 -56.1454     187 -57.9184     188 -58.0670     189 -56.1309     190 -55.7375
     191 -55.8804     192 -55.6644     193 -55.5614     194 -55.7818     195 -57.8932
     196 -58.0921     197 -56.4213     198 -54.8724     199 -54.6268     200 -55.1686
     201 -55.7649     202 -55.6867     203 -55.6872     204 -55.7094     205 -55.1930
     206 -54.8800     207 -55.0414     208 -56.4413     209 -60.7464     210 -60.5765
     211 -55.8908     212 -56.0449     213 -55.7764     214 -55.6767     215 -55.6341
     216 -56.1527     217 -58.1520     218 -58.1911     219 -56.0978     220 -55.7284
     221 -55.8548     222 -55.5642     223 -55.4461     224 -55.7220     225 -57.8097
     226 -58.0966     227 -56.4456     228 -54.9518     229 -54.8329     230 -55.1218
     231 -55.6595     232 -55.8254     233 -55.8031     234 -55.5860     235 -55.2130
     236 -54.7654     237 -55.0161     238 -56.4830     239 -60.4190     240 -60.4944
     241 -55.8793     242 -55.8764     243 -55.7396     244 -55.6787     245 -55.7137
     246 -56.0853     247 -57.9572     248 -58.2303     249 -56.1984     250 -55.8969
     251 -56.0190     252 -55.7678     253 -55.7378     254 -55.9163     255 -57.9620
     256 -58.1610     257 -56.6453     258 -55.2660     259 -54.9812     260 -55.4437
     261 -55.8531     262 -56.0020     263 -55.8488     264 -55.7972     265 -55.3620
     266 -54.8294     267 -55.2601     268 -56.4655     269 -60.5178     270 -60.5901
     271 -55.8605     272 -55.8929     273 -55.6605     274 -55.7121     275 -55.6715
     276 -56.0233     277 -58.2635     278 -58.0871     279 -55.7355     280 -55.4918
     281 -55.6391     282 -55.3293     283 -55.2638     284 -55.5652     285 -57.9066
     286 -58.1387     287 -56.6811     288 -55.3210     289 -54.9085     290 -55.6237
     291 -55.8355     292 -55.7962     293 -55.6782     294 -55.8613     295 -55.0976
     296 -54.7347     297 -54.9115     298 -56.4297     299 -60.6076     300 -60.7091
     301 -55.7933     302 -55.9103     303 -55.7821     304 -55.5528     305 -55.6032
     306 -56.0672     307 -57.9352     308 -58.1356     309 -56.1463     310 -55.8067
     311 -55.9685     312 -55.7018     313 -55.6704     314 -55.8870     315 -57.9558
     316 -58.0654     317 -56.4812     318 -54.9754     319 -54.6947     320 -55.2151
     321 -55.7231     322 -55.7331     323 -55.6699     324 -55.7224     325 -55.0594
     326 -54.9600     327 -55.1273     328 -56.5276     329 -60.5446     330 -60.4212
     331 -55.7243     332 -55.7978     333 -55.5998     334 -55.5134     335 -55.5195
     336 -55.9239     337 -57.7975     338 -57.8843     339 -55.7785     340 -55.4676
     341 -55.6349     342 -55.3880     343 -55.4135     344 -55.5903     345 -57.6756
     346 -57.9638     347 -56.3950     348 -54.9132     349 -54.6619     350 -55.2586
     351 -55.6892     352 -55.6058     353 -55.5300     354 -55.5438     355 -55.0258
     356 -54.4871     357 -54.8016     358 -56.2743     359 -60.3632     360 -60.5193
     361 -39.1397     362 -38.8338     363 -38.9600     364 -39.1636     365 -38.9747
     366 -38.8033     367 -38.5634     368 -38.2914     369 -38.2704     370 -38.2627
     371 -38.4503     372 -38.2737     373 -38.9097     374 -38.4698     375 -38.7033
     376 -39.0794     377 -38.8836     378 -38.7994     379 -38.6152     380 -38.2760
     381 -38.3310     382 -38.1382     383 -38.4992     384 -38.1013     385 -39.0124
     386 -38.8366     387 -38.7971     388 -38.9317     389 -38.8106     390 -38.6306
     391 -38.7004     392 -38.2844     393 -38.5068     394 -38.1140     395 -38.4670
     396 -38.4033     397 -38.8132     398 -38.2948     399 -38.5490     400 -38.9470
     401 -38.5537     402 -38.7666     403 -38.3512     404 -38.2085     405 -38.3307
     406 -38.3198     407 -38.3028     408 -38.0917     409 -38.8492     410 -38.8189
     411 -38.9226     412 -38.8060     413 -38.8118     414 -38.6491     415 -38.5114
     416 -38.5109     417 -38.2860     418 -38.3392     419 -38.5656     420 -38.4403
     421 -38.6021     422 -38.3549     423 -38.4702     424 -38.8257     425 -38.5921
     426 -38.7960     427 -38.5149     428 -38.2559     429 -38.4495     430 -38.1942
     431 -38.6669     432 -38.2058     433 -38.7470     434 -38.6921     435 -38.8581
     436 -38.7403     437 -38.9064     438 -38.6028     439 -38.7771     440 -38.0313
     441 -38.2698     442 -38.1881     443 -38.6020     444 -38.3181     445 -38.8445
     446 -38.8517     447 -38.7882     448 -38.7843     449 -38.6534     450 -38.4161
     451 -38.2284     452 -37.7890     453 -38.2261     454 -38.2204     455 -38.6776
     456 -38.2919     457 -39.0374     458 -38.7403     459 -38.8981     460 -39.1379
     461 -38.9358     462 -38.8646     463 -38.2142     464 -38.5562     465 -38.4093
     466 -38.5087     467 -39.0320     468 -38.2618     469 -38.9448     470 -38.9942
     471 -38.6872     472 -38.9515     473 -38.5003     474 -38.3019     475 -38.7082
     476 -38.3255     477 -38.6147     478 -38.0631     479 -38.5082     480 -38.0986
     481 -38.9655     482 -38.7313     483 -38.8103     484 -38.9667     485 -38.8438
     486 -38.8528     487 -38.4340     488 -38.2582     489 -38.2100     490 -38.2084
     491 -38.3826     492 -38.4538     493 -38.8334     494 -38.5879     495 -38.6305
     496 -38.7759     497 -38.5442     498 -38.3834     499 -38.4143     500 -38.0137
     501 -38.2419     502 -38.0699     503 -38.3674     504 -37.9243     505 -38.3675
     506 -41.4817     507 -71.7489     508 -71.7751     509 -71.7804     510 -71.7242
     511 -71.5227     512 -71.8386     513 -71.6438     514 -71.7076     515 -71.7012
     516 -71.7288     517 -71.5017     518 -71.8441     519 -71.6082     520 -71.8074
     521 -71.8839     522 -71.7535     523 -71.6553     524 -71.7546     525 -71.7978
     526 -71.6023     527 -71.7032     528 -71.7800     529 -71.2638     530 -71.5463
     531 -76.8283     532 -76.3988     533 -76.7906     534 -76.4109     535 -76.5729
     536 -76.3786     537 -77.0973     538 -76.4733     539 -76.6532     540 -76.9872
     541 -76.7492     542 -76.5232     543 -76.5676     544 -76.3327     545 -76.9194
     546 -76.4581     547 -76.6100     548 -76.4467     549 -76.5666     550 -76.3238
     551 -76.2983     552 -76.2384     553 -76.9020     554 -76.0836     555 -76.3628
     556 -76.8084     557 -76.6066     558 -76.4711     559 -76.5629     560 -76.7143
     561 -76.5746     562 -76.2905     563 -77.0377     564 -76.3360     565 -76.9130
     566 -76.4407     567 -76.6377     568 -76.7873     569 -76.9743     570 -76.4901
     571 -76.7237     572 -76.4625     573 -76.5392     574 -76.4663     575 -76.3771
     576 -76.2540     577 -76.6167     578 -75.9473     579 -82.5885     580 -82.2697
     581 -82.7345     582 -82.4555     583 -82.3149     584 -82.3202     585 -82.4705
     586 -82.5230     587 -82.6743     588 -82.3772     589 -82.4381     590 -82.4737
     591 -82.8021     592 -82.3184     593 -82.7355     594 -82.6345     595 -82.3151
     596 -83.2651     597 -82.3866     598 -82.3423     599 -82.5456     600 -82.3880
     601 -82.3735     602 -81.9830     603 -82.8353     604 -82.4750     605 -83.0384
     606 -82.1566     607 -82.3391     608 -83.7952     609 -82.6853     610 -82.2341
     611 -82.6482     612 -82.4500     613 -82.3074     614 -82.3424     615 -82.4408
     616 -82.8237     617 -82.6014     618 -83.0665     619 -82.4850     620 -82.9307
     621 -82.1917     622 -82.5290     623 -82.9787     624 -82.7700     625 -82.7588
     626 -82.0893     627 -82.2235     628 -82.4798     629 -82.8529     630 -82.1059
     631 -82.9948     632 -82.0864     633 -82.3373     634 -82.8937     635 -82.6741
     636 -82.4011     637 -82.3610     638 -82.6817     639 -82.1928     640 -82.4240
     641 -82.4283     642 -82.4099     643 -83.0382     644 -82.3870     645 -82.2912
     646 -82.4758     647 -82.5497     648 -82.3424     649 -82.2033     650 -82.2174
 
 
 
 E-fermi :  -1.2985     XC(G=0):  -6.3409     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
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      2     -29.6243      2.00000
      3     -29.4620      2.00000
      4     -29.4535      2.00000
      5     -29.3192      2.00000
      6     -29.3093      2.00000
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      8     -29.1531      2.00000
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     10     -29.0955      2.00000
     11     -29.0920      2.00000
     12     -29.0847      2.00000
     13     -29.0469      2.00000
     14     -29.0234      2.00000
     15     -28.9737      2.00000
     16     -28.9170      2.00000
     17     -28.9046      2.00000
     18     -28.7718      2.00000
     19     -28.7552      2.00000
     20     -28.6984      2.00000
     21     -28.6889      2.00000
     22     -28.6176      2.00000
     23     -28.5460      2.00000
     24     -28.5025      2.00000
     25     -27.5030      2.00000
     26     -27.3648      2.00000
     27     -27.1282      2.00000
     28     -27.0916      2.00000
     29     -27.0640      2.00000
     30     -27.0490      2.00000
     31     -27.0249      2.00000
     32     -26.9876      2.00000
     33     -26.9620      2.00000
     34     -26.9522      2.00000
     35     -26.9279      2.00000
     36     -26.8843      2.00000
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     38     -26.7364      2.00000
     39     -26.7298      2.00000
     40     -26.7289      2.00000
     41     -26.5954      2.00000
     42     -26.5903      2.00000
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     44     -26.5819      2.00000
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     46     -26.5309      2.00000
     47     -26.4903      2.00000
     48     -26.4741      2.00000
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     50     -26.4530      2.00000
     51     -26.4384      2.00000
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     55     -26.4032      2.00000
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     68     -26.2438      2.00000
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     70     -26.1982      2.00000
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     72     -25.9432      2.00000
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    100     -22.5726      2.00000
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   1131      -3.0984      2.00000
   1132      -3.0825      2.00000
   1133      -3.0609      2.00000
   1134      -3.0504      2.00000
   1135      -3.0372      2.00000
   1136      -3.0118      2.00000
   1137      -3.0006      2.00000
   1138      -2.9925      2.00000
   1139      -2.9802      2.00000
   1140      -2.9616      2.00000
   1141      -2.9585      2.00000
   1142      -2.9514      2.00000
   1143      -2.9476      2.00000
   1144      -2.9369      2.00000
   1145      -2.9255      2.00000
   1146      -2.8939      2.00000
   1147      -2.8863      2.00000
   1148      -2.8721      2.00000
   1149      -2.8631      2.00000
   1150      -2.8516      2.00000
   1151      -2.8448      2.00000
   1152      -2.8423      2.00000
   1153      -2.8257      2.00000
   1154      -2.8187      2.00000
   1155      -2.8043      2.00000
   1156      -2.7887      2.00000
   1157      -2.7836      2.00000
   1158      -2.7821      2.00000
   1159      -2.7814      2.00000
   1160      -2.7685      2.00000
   1161      -2.7628      2.00000
   1162      -2.7608      2.00000
   1163      -2.7550      2.00000
   1164      -2.7471      2.00000
   1165      -2.7404      2.00000
   1166      -2.7284      2.00000
   1167      -2.7044      2.00000
   1168      -2.6848      2.00000
   1169      -2.6830      2.00000
   1170      -2.6604      2.00000
   1171      -2.6503      2.00000
   1172      -2.6394      2.00000
   1173      -2.6284      2.00000
   1174      -2.6229      2.00000
   1175      -2.6033      2.00000
   1176      -2.5930      2.00000
   1177      -2.5728      2.00000
   1178      -2.5655      2.00000
   1179      -2.5557      2.00000
   1180      -2.5399      2.00000
   1181      -2.5273      2.00000
   1182      -2.5168      2.00000
   1183      -2.5073      2.00000
   1184      -2.5011      2.00000
   1185      -2.4935      2.00000
   1186      -2.4882      2.00000
   1187      -2.4728      2.00000
   1188      -2.4597      2.00000
   1189      -2.4541      2.00000
   1190      -2.4316      2.00000
   1191      -2.4265      2.00000
   1192      -2.4204      2.00000
   1193      -2.4024      2.00000
   1194      -2.3966      2.00000
   1195      -2.3811      2.00000
   1196      -2.3717      2.00000
   1197      -2.3655      2.00000
   1198      -2.3600      2.00000
   1199      -2.3579      2.00000
   1200      -2.3530      2.00000
   1201      -2.3410      2.00000
   1202      -2.3262      2.00000
   1203      -2.3177      2.00000
   1204      -2.3076      2.00000
   1205      -2.3063      2.00000
   1206      -2.2993      2.00000
   1207      -2.2783      2.00000
   1208      -2.2675      2.00000
   1209      -2.2613      2.00000
   1210      -2.2566      2.00000
   1211      -2.2543      2.00000
   1212      -2.2465      2.00000
   1213      -2.2414      2.00000
   1214      -2.2331      2.00000
   1215      -2.2207      2.00000
   1216      -2.2048      2.00000
   1217      -2.1948      2.00000
   1218      -2.1852      2.00000
   1219      -2.1785      2.00000
   1220      -2.1560      2.00000
   1221      -2.1426      2.00000
   1222      -2.1372      2.00000
   1223      -2.1302      2.00000
   1224      -2.1196      2.00000
   1225      -2.1186      2.00000
   1226      -2.1062      2.00000
   1227      -2.0781      2.00000
   1228      -2.0570      2.00000
   1229      -2.0489      2.00000
   1230      -2.0385      2.00000
   1231      -2.0309      2.00000
   1232      -1.9991      2.00001
   1233      -1.9544      2.00004
   1234      -1.9502      2.00004
   1235      -1.8973      2.00019
   1236      -1.8367      2.00094
   1237      -1.7625      2.00498
   1238      -1.6999      2.01563
   1239      -1.6793      2.02153
   1240      -1.6325      2.03972
   1241      -1.5941      2.05723
   1242      -1.5378      2.07066
   1243      -1.5189      2.06547
   1244      -1.5085      2.05914
   1245      -1.4998      2.05163
   1246      -1.4566      1.97517
   1247      -1.4503      1.95780
   1248      -1.4458      1.94407
   1249      -1.3977      1.73574
   1250      -0.0166     -0.00000
   1251       0.0471     -0.00000
   1252       0.0663     -0.00000
   1253       0.1812     -0.00000
   1254       0.2427     -0.00000
   1255       0.2550     -0.00000
   1256       0.2968     -0.00000
   1257       0.3372     -0.00000
   1258       0.3622     -0.00000
   1259       0.3691     -0.00000
   1260       0.3803     -0.00000
   1261       0.3947     -0.00000
   1262       0.5640     -0.00000
   1263       0.5714     -0.00000
   1264       0.6810     -0.00000
   1265       0.6975     -0.00000
   1266       0.7073     -0.00000
   1267       0.7429     -0.00000
   1268       0.7503     -0.00000
   1269       0.7858     -0.00000
   1270       0.8123     -0.00000
   1271       0.8602     -0.00000
   1272       0.8714     -0.00000
   1273       0.8846     -0.00000
   1274       0.8880     -0.00000
   1275       0.9110     -0.00000
   1276       0.9494     -0.00000
   1277       0.9645     -0.00000
   1278       1.0124     -0.00000
   1279       1.0264     -0.00000
   1280       1.0865     -0.00000
   1281       1.1260     -0.00000
   1282       1.1483     -0.00000
   1283       1.1572     -0.00000
   1284       1.1781     -0.00000
   1285       1.2075     -0.00000
   1286       1.2214     -0.00000
   1287       1.2598     -0.00000
   1288       1.3108     -0.00000
   1289       1.3544     -0.00000
   1290       1.3717     -0.00000
   1291       1.4868     -0.00000
   1292       1.5351     -0.00000
   1293       1.5417     -0.00000
   1294       1.5802     -0.00000
   1295       1.6759     -0.00000
   1296       1.6810     -0.00000
   1297       1.6977     -0.00000
   1298       1.7599     -0.00000
   1299       1.7819     -0.00000
   1300       1.8656     -0.00000
   1301       1.9010     -0.00000
   1302       1.9081     -0.00000
   1303       1.9547     -0.00000
   1304       1.9682     -0.00000
   1305       1.9845     -0.00000
   1306       1.9880     -0.00000
   1307       2.0344     -0.00000
   1308       2.0751     -0.00000
   1309       2.0868     -0.00000
   1310       2.1042     -0.00000
   1311       2.1263     -0.00000
   1312       2.1578     -0.00000
   1313       2.1733     -0.00000
   1314       2.1988     -0.00000
   1315       2.2061     -0.00000
   1316       2.2175     -0.00000
   1317       2.2310     -0.00000
   1318       2.3084     -0.00000
   1319       2.3210     -0.00000
   1320       2.3360     -0.00000
   1321       2.3547     -0.00000
   1322       2.4137     -0.00000
   1323       2.4433     -0.00000
   1324       2.4578     -0.00000
   1325       2.4644     -0.00000
   1326       2.5240     -0.00000
   1327       2.5744     -0.00000
   1328       2.5784     -0.00000
   1329       2.5959     -0.00000
   1330       2.6034     -0.00000
   1331       2.6153     -0.00000
   1332       2.6318     -0.00000
   1333       2.6496     -0.00000
   1334       2.6591     -0.00000
   1335       2.6853     -0.00000
   1336       2.7094     -0.00000
   1337       2.7275     -0.00000
   1338       2.7436     -0.00000
   1339       2.7776     -0.00000
   1340       2.7849     -0.00000
   1341       2.8092     -0.00000
   1342       2.8386     -0.00000
   1343       2.8526     -0.00000
   1344       2.8905     -0.00000
   1345       2.9378     -0.00000
   1346       2.9564     -0.00000
   1347       3.0342     -0.00000
   1348       3.0580     -0.00000
   1349       3.0829     -0.00000
   1350       3.0903     -0.00000
   1351       3.1269     -0.00000
   1352       3.1722     -0.00000
   1353       3.1948     -0.00000
   1354       3.2120     -0.00000
   1355       3.2210     -0.00000
   1356       3.2542     -0.00000
   1357       3.2693     -0.00000
   1358       3.2859     -0.00000
   1359       3.3167     -0.00000
   1360       3.3605     -0.00000
   1361       3.3710     -0.00000
   1362       3.4324     -0.00000
   1363       3.4956     -0.00000
   1364       3.5687     -0.00000
   1365       3.6349     -0.00000
   1366       3.6648     -0.00000
   1367       3.7081     -0.00000
   1368       3.7304     -0.00000
   1369       3.7673     -0.00000
   1370       3.7786     -0.00000
   1371       3.7879     -0.00000
   1372       3.8134     -0.00000
   1373       3.8520     -0.00000
   1374       3.8737     -0.00000
   1375       3.8787     -0.00000
   1376       3.8985     -0.00000
   1377       3.9294     -0.00000
   1378       3.9487     -0.00000
   1379       3.9609     -0.00000
   1380       3.9859     -0.00000
   1381       4.0057     -0.00000
   1382       4.0228     -0.00000
   1383       4.0364      0.00000
   1384       4.0483      0.00000
   1385       4.0694      0.00000
   1386       4.1017      0.00000
   1387       4.1100      0.00000
   1388       4.1304      0.00000
   1389       4.1380      0.00000
   1390       4.1478      0.00000
   1391       4.1549      0.00000
   1392       4.1759      0.00000
   1393       4.1871      0.00000
   1394       4.2013      0.00000
   1395       4.2063      0.00000
   1396       4.2317      0.00000
   1397       4.2415      0.00000
   1398       4.2466      0.00000
   1399       4.2598      0.00000
   1400       4.2696      0.00000
   1401       4.2935      0.00000
   1402       4.2991      0.00000
   1403       4.3150      0.00000
   1404       4.3304      0.00000
   1405       4.3433      0.00000
   1406       4.3578      0.00000
   1407       4.3708      0.00000
   1408       4.3842      0.00000
   1409       4.3993      0.00000
   1410       4.4091      0.00000
   1411       4.4162      0.00000
   1412       4.4359      0.00000
   1413       4.4541      0.00000
   1414       4.4714      0.00000
   1415       4.4842      0.00000
   1416       4.5036      0.00000
   1417       4.5263      0.00000
   1418       4.5363      0.00000
   1419       4.5510      0.00000
   1420       4.5743      0.00000
   1421       4.5791      0.00000
   1422       4.5913      0.00000
   1423       4.5989      0.00000
   1424       4.6186      0.00000
   1425       4.6430      0.00000
   1426       4.6542      0.00000
   1427       4.6665      0.00000
   1428       4.6856      0.00000
   1429       4.6887      0.00000
   1430       4.7034      0.00000
   1431       4.7058      0.00000
   1432       4.7202      0.00000
   1433       4.7377      0.00000
   1434       4.7496      0.00000
   1435       4.7767      0.00000
   1436       4.8003      0.00000
   1437       4.8041      0.00000
   1438       4.8421      0.00000
   1439       4.8501      0.00000
   1440       4.8722      0.00000
   1441       4.8839      0.00000
   1442       4.8954      0.00000
   1443       4.9204      0.00000
   1444       4.9309      0.00000
   1445       4.9581      0.00000
   1446       4.9725      0.00000
   1447       4.9761      0.00000
   1448       4.9887      0.00000
   1449       5.0060      0.00000
   1450       5.0116      0.00000
   1451       5.0228      0.00000
   1452       5.0259      0.00000
   1453       5.0511      0.00000
   1454       5.0766      0.00000
   1455       5.0809      0.00000
   1456       5.1013      0.00000
   1457       5.1160      0.00000
   1458       5.1292      0.00000
   1459       5.1316      0.00000
   1460       5.1403      0.00000
   1461       5.1509      0.00000
   1462       5.1588      0.00000
   1463       5.1759      0.00000
   1464       5.1868      0.00000
   1465       5.2003      0.00000
   1466       5.2066      0.00000
   1467       5.2135      0.00000
   1468       5.2232      0.00000
   1469       5.2289      0.00000
   1470       5.2430      0.00000
   1471       5.2628      0.00000
   1472       5.2749      0.00000
   1473       5.2852      0.00000
   1474       5.2985      0.00000
   1475       5.3060      0.00000
   1476       5.3396      0.00000
   1477       5.3465      0.00000
   1478       5.3553      0.00000
   1479       5.3631      0.00000
   1480       5.3811      0.00000
   1481       5.3905      0.00000
   1482       5.3994      0.00000
   1483       5.4079      0.00000
   1484       5.4270      0.00000
   1485       5.4359      0.00000
   1486       5.4407      0.00000
   1487       5.4604      0.00000
   1488       5.4650      0.00000
   1489       5.4748      0.00000
   1490       5.4829      0.00000
   1491       5.4923      0.00000
   1492       5.5147      0.00000
   1493       5.5222      0.00000
   1494       5.5358      0.00000
   1495       5.5369      0.00000
   1496       5.5581      0.00000
   1497       5.5700      0.00000
   1498       5.5753      0.00000
   1499       5.5902      0.00000
   1500       5.5991      0.00000
   1501       5.6111      0.00000
   1502       5.6237      0.00000
   1503       5.6343      0.00000
   1504       5.6509      0.00000
   1505       5.6619      0.00000
   1506       5.6766      0.00000
   1507       5.6872      0.00000
   1508       5.6980      0.00000
   1509       5.7051      0.00000
   1510       5.7161      0.00000
   1511       5.7316      0.00000
   1512       5.7388      0.00000
   1513       5.7525      0.00000
   1514       5.7548      0.00000
   1515       5.7688      0.00000
   1516       5.7790      0.00000
   1517       5.7863      0.00000
   1518       5.8025      0.00000
   1519       5.8087      0.00000
   1520       5.8233      0.00000
   1521       5.8352      0.00000
   1522       5.8473      0.00000
   1523       5.8605      0.00000
   1524       5.8667      0.00000
   1525       5.8764      0.00000
   1526       5.8794      0.00000
   1527       5.8829      0.00000
   1528       5.9005      0.00000
   1529       5.9024      0.00000
   1530       5.9154      0.00000
   1531       5.9263      0.00000
   1532       5.9320      0.00000
   1533       5.9341      0.00000
   1534       5.9425      0.00000
   1535       5.9650      0.00000
   1536       5.9708      0.00000
   1537       5.9869      0.00000
   1538       5.9948      0.00000
   1539       5.9996      0.00000
   1540       6.0054      0.00000
   1541       6.0198      0.00000
   1542       6.0223      0.00000
   1543       6.0328      0.00000
   1544       6.0360      0.00000
   1545       6.0520      0.00000
   1546       6.0751      0.00000
   1547       6.0778      0.00000
   1548       6.0837      0.00000
   1549       6.0882      0.00000
   1550       6.1089      0.00000
   1551       6.1200      0.00000
   1552       6.1273      0.00000
   1553       6.1300      0.00000
   1554       6.1335      0.00000
   1555       6.1455      0.00000
   1556       6.1581      0.00000
   1557       6.1725      0.00000
   1558       6.1800      0.00000
   1559       6.1896      0.00000
   1560       6.1927      0.00000
   1561       6.1946      0.00000
   1562       6.2038      0.00000
   1563       6.2162      0.00000
   1564       6.2205      0.00000
   1565       6.2274      0.00000
   1566       6.2313      0.00000
   1567       6.2502      0.00000
   1568       6.2551      0.00000
   1569       6.2678      0.00000
   1570       6.2710      0.00000
   1571       6.2897      0.00000
   1572       6.2993      0.00000
   1573       6.3081      0.00000
   1574       6.3169      0.00000
   1575       6.3272      0.00000
   1576       6.3309      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.080  13.402  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.402  17.817  -0.001   0.002  -0.000   0.003  -0.006   0.000
 -0.001  -0.001  -4.225   0.003  -0.000   8.262  -0.005   0.000
  0.001   0.002   0.003  -4.225   0.001  -0.005   8.261  -0.001
 -0.000  -0.000  -0.000   0.001  -4.217   0.000  -0.001   8.252
  0.002   0.003   8.262  -0.005   0.000 -18.286   0.008  -0.001
 -0.004  -0.006  -0.005   8.261  -0.001   0.008 -18.283   0.001
  0.000   0.000   0.000  -0.001   8.252  -0.001   0.001 -18.275
 total augmentation occupancy for first ion, spin component:           1
  8.620  -3.904   0.141   0.147  -0.012   0.017   0.028  -0.003
 -3.904   1.842  -0.071  -0.103   0.003  -0.007  -0.017   0.002
  0.141  -0.071   1.812  -0.054   0.005   0.173  -0.012   0.000
  0.147  -0.103  -0.054   1.912  -0.083  -0.011   0.179  -0.012
 -0.012   0.003   0.005  -0.083   1.230   0.000  -0.012   0.081
  0.017  -0.007   0.173  -0.011   0.000   0.018  -0.002   0.000
  0.028  -0.017  -0.012   0.179  -0.012  -0.002   0.018  -0.002
 -0.003   0.002   0.000  -0.012   0.081   0.000  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -58174.22637119777.63062 42403.49349-12716.74105  6347.69136 30071.87001
  Hartree -2949.77378146906.56263 80432.98904-13137.53052  4265.18100 24499.22733
  E(xc)  -10762.00366-10627.00563-10666.44226     2.77619     8.38542    28.65655
  Local   27763.38503************************ 25852.76684-10645.50833-54022.03070
  n-local -5898.55111 -5999.17549 -6073.34809     8.55602    17.33488   -52.60316
  augment  1485.95378  1538.30670  1482.61897     3.11947    13.31932    -1.97660
  Kinetic 45781.01130 43333.83992 44008.82339   -59.41649  -115.97927  -530.10646
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      153.6538966   -393.6325885    139.2508544    -46.4695401   -109.5756394     -6.9630350
  in kB       25.6230172    -65.6413849     23.2211946     -7.7491678    -18.2726149     -1.1611418
  external PRESSURE =      -5.5990577 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.319E+03 -.129E+03 0.258E+03   0.319E+03 0.130E+03 -.259E+03   0.290E+00 -.453E+00 0.184E+01   0.103E-03 0.208E-04 0.120E-04
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 -----------------------------------------------------------------------------------------------
   0.596E+01 -.330E+02 -.339E+02   0.264E-10 0.222E-11 0.455E-12   -.597E+01 0.330E+02 0.339E+02   0.250E-02 -.373E-02 -.149E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.71094      3.15320      1.40907         0.468762      0.213885      0.496090
     12.55505      3.58991      2.72001         0.388410      0.060270     -0.328796
     12.55674      4.96845      3.01811         0.187666     -0.032742     -0.046346
     12.83411      4.06471      0.37085         0.197709      0.205111      0.186756
     12.86189      5.42630      0.67495         0.099556      0.052072      0.291086
     12.73215      5.93265      1.99533         0.286123      0.610295     -0.223969
     12.73133      1.68340      1.41584         0.966282     -0.703741     -2.048053
     12.32874      2.35594      3.54783         0.485519      0.336260      0.712515
     12.83670      7.46633      2.22756         0.226376     -0.514764     -0.344260
     12.75002      8.08818      3.49400         0.275537     -0.085823      0.080530
     13.01985      9.45971      3.66250         0.281637     -0.302665     -0.341350
     13.13761      8.33214      1.13889         0.001656     -0.052470      0.180047
     13.33125      9.71048      1.28352        -0.140772     -0.197549      0.306603
     13.26509     10.26607      2.55960         0.359141     -0.385704      0.456159
     13.48853     11.63562      3.06491         1.065080      2.354537     -2.536940
     13.12701     10.31999      4.88982         0.046674     -0.821000      0.361736
     13.53148     12.79778      5.32406         0.415715      0.498007     -0.067600
     13.18660     12.73224      6.67132         0.542901      0.416628     -0.045313
     13.25320     13.86918      7.47100         0.601605     -0.503651     -1.267342
     13.83587     14.10140      4.86672         0.371538      0.342052      0.471865
     13.87518     15.24830      5.70289         0.399048     -0.118701     -0.373520
     13.60168     15.16688      7.09166         0.407039     -0.135467     -0.009571
     13.66823     16.28233      8.09145         0.271184     -0.054061      0.320491
     13.20162     16.20322      9.43074        -0.198748     -0.225810      0.331231
     13.35477     17.27042     10.31661        -0.036529     -0.101062      0.222012
     14.21544     17.54110      7.79607         0.226225     -0.021742      0.481475
     14.32542     18.63137      8.63427        -0.024061     -0.476458      0.326647
     13.91286     18.48072      9.94088         0.220096      0.269518      0.038772
     12.51886     14.98827     10.00064        -0.182599      0.040922      0.347017
     14.32613     16.55701      5.06352         0.488951     -0.722668      0.966486
      9.70387      3.82471      4.81062        -0.020142      0.588005     -0.456918
      9.90782      4.76485      3.80911        -0.357279      0.038398      0.645577
     10.02762      6.12243      4.14976        -0.112211     -0.164758     -0.346285
      9.58622      4.20579      6.13102         0.151844      0.180244      0.010999
      9.68635      5.54607      6.46839         0.167385      0.411982     -0.292734
      9.94450      6.54842      5.48727        -0.131460      0.342257      0.601021
      9.61833      2.49749      4.21337        -0.627152     -1.644007      1.460335
      9.98725      4.01888      2.52531        -0.317436      1.169914     -1.268203
     10.08522      8.01331      5.89022        -0.294555     -0.729374      0.147979
     10.35205      8.99666      4.92655        -0.182158      0.423582      0.173811
     10.42427     10.34460      5.26613        -0.399641     -0.595003      0.493652
      9.91772      8.44117      7.23326        -0.055369      0.097599     -0.379263
     10.03571      9.78835      7.59533        -0.047177     -0.016293     -0.239804
     10.29024     10.72503      6.59599        -0.173415     -0.183114     -0.555579
     10.46271     12.17480      6.63183        -0.698229      1.407662      2.184770
     10.74943     11.55004      4.45028        -1.012400     -0.211042      2.396816
     11.02004     14.04034      4.97419        -0.411764     -0.045765      0.247714
     11.48159     14.38219      3.70090        -0.383047      0.491471      0.136040
     11.78426     15.71406      3.42687        -0.565109     -0.192754      0.427772
     10.96407     15.10425      5.89947        -0.332047      0.368470     -0.160093
     11.19331     16.45965      5.56450        -0.182987      0.207164      0.223158
     11.59436     16.83892      4.24338         0.199667     -0.011736      0.120996
     12.01459     18.23631      3.78279        -0.274750      0.011773      0.534969
     12.49569     18.59114      2.51095         0.075087      0.030640     -0.836121
     12.59611     19.97735      2.17008         0.066698     -0.461635      0.038666
     11.87028     19.34701      4.64153         0.377387      0.397320     -0.791307
     12.01562     20.70062      4.36521         0.318984     -0.717271     -0.128325
     12.37095     21.05753      3.06883         0.523226      0.086242     -0.148008
     12.71889     17.51276      1.32765         0.486443      1.370379     -0.045513
     10.95096     17.48264      6.69833        -0.393374      0.059954      0.094058
     10.01986      7.15140     14.58644         0.511763      0.922943      0.126575
      9.89282      7.61207     15.89622         0.616587     -0.522111     -0.864675
      9.91551      8.98513     16.18511         0.448283     -0.277227      0.175281
     10.12149      8.08512     13.53593         0.130115     -0.557468      0.753018
     10.16128      9.43902     13.84725         0.309661      0.785652      0.335944
     10.08234      9.95115     15.17940         0.409122      0.672017     -0.334243
      9.90747      5.67456     14.57688         0.130903      2.285560      3.003566
      9.62674      6.39161     16.72359         0.391642      0.129181      1.334639
     10.18784     11.48274     15.48216         0.316398     -0.430643     -0.371493
     10.12024     12.04762     16.78308         0.194038     -0.098922      0.149692
     10.29768     13.43389     17.01009         0.256950     -0.148325     -0.359564
     10.44263     12.40628     14.42410         0.065826     -0.238145      0.225561
     10.59770     13.77876     14.63293        -0.062339     -0.212327      0.312294
     10.49861     14.28300     15.93156         0.339743     -0.338808      0.275953
     10.59562     15.66588     16.44466         0.944384      1.589347     -2.059754
     10.24821     14.30057     18.25489         0.167669     -1.250963      0.739447
     10.43658     16.84553     18.69563         0.319930     -0.039408     -0.016606
     10.12431     16.78198     20.04716         0.167849      0.604194     -0.131706
     10.00075     17.96314     20.77867         0.271924     -0.298955     -1.074547
     10.62228     18.16812     18.23713         0.595363      0.692661      0.079455
     10.58074     19.34819     19.02733         0.797765      0.106080     -0.284283
     10.26738     19.29157     20.41385         0.203362     -0.000353      0.073284
     10.22304     20.44180      0.15216        -0.454868     -0.048010      0.079593
      9.76977     20.37326      1.51150         0.196294     -0.482513     -0.063240
      9.74209      0.22190      2.35168        -0.534955     -0.259934      0.182869
     10.54892      0.50994     21.09710        -0.364435     -0.034826      0.305033
     10.30694      1.66116      0.57732        -0.220899     -0.375444      0.664294
      9.92774      1.55139      1.91480        -0.407013     -0.545869     -0.428838
      9.45865     19.05456      2.17785        -1.786306      0.904550      0.322365
     10.91575     20.69634     18.36777         0.786595     -0.610769      0.310875
      7.09702      7.60419     17.53792        -0.130745      0.009733     -0.255980
      7.30573      8.53935     16.55264        -0.630113      0.422451      0.054399
      7.45958      9.90395     16.87903        -0.307508     -0.193059     -0.245222
      7.06468      7.97774     18.87487         0.079454      0.554675      0.051170
      7.11836      9.33855     19.19108         0.044461     -0.026379     -0.354565
      7.32721     10.34950     18.20214        -0.230303      0.538695      0.567703
      6.95688      6.27715     16.89253        -0.402405     -1.465457      1.687593
      7.32630      7.80109     15.24306        -0.338733      0.803896     -0.000225
      7.35839     11.84345     18.60517        -0.308963     -0.695455      0.153730
      7.60243     12.90597     17.70953        -0.241871      0.259732     -0.074937
      7.56976     14.24619     18.12486        -0.448360     -0.294637      0.342227
      7.07488     12.22104     19.93739         0.083035     -0.175982     -0.401958
      7.04837     13.55306     20.34734         0.100264     -0.104708      0.121098
      7.29424     14.56591     19.44850        -0.008765     -0.096590     -0.768232
      7.35977     16.02768     19.59251        -0.840102      0.903685      1.981274
      7.86575     15.52900     17.42919        -1.075390     -0.405450      0.656676
      7.84393     18.01891     18.07181        -0.318252     -0.191044      0.007569
      8.45317     18.42553     16.88281        -0.448174      0.532332      0.183872
      8.72919     19.77566     16.68188        -0.400101     -0.223185      0.024720
      7.57080     19.06318     18.98845        -0.441951      0.492554     -0.401501
      7.70510     20.44229     18.65629        -0.611708     -0.046124      0.560013
      8.24905     20.87744     17.41241         0.014432      0.170006      0.155658
      8.58757      1.07266     17.00637         0.052993     -0.270620      0.435785
      8.99227      1.42219     15.71562         0.193304     -0.589822     -0.572324
      9.28433      2.78119     15.37313         0.448655     -0.605377     -0.069756
      8.63477      2.17679     17.90399         0.054260      0.730370     -0.592605
      8.91890      3.51712     17.60823         0.142298     -1.209884     -0.655338
      9.27538      3.85231     16.28726         0.504810      0.282980      0.500407
      9.15366      0.31776     14.61031         0.769511     -0.093602     -1.312798
      7.26672      0.19835     19.74039        -0.508022      0.099040     -0.218288
      7.03203     10.83957      6.12430        -0.159863      0.309632      0.349219
      6.84243     11.31662      7.41402         0.039482      0.293288     -0.487208
      6.96491     12.68297      7.70594        -0.075687     -0.184586      0.035143
      7.37512     11.70232      5.09476        -0.091829      0.273102      0.149133
      7.50619     13.06298      5.38872        -0.111006      0.190372      0.202428
      7.29046     13.60604      6.68866         0.030247      0.566122     -0.245727
      6.86391      9.38306      6.15888         0.363076     -1.242749     -2.055570
      6.55599     10.12774      8.25285        -0.189881      0.215640      2.038272
      7.40330     15.12521      6.92671        -0.075602     -0.457151     -0.334960
      7.12290     15.75322      8.15880         0.030700      0.264529      0.130206
      7.25055     17.15390      8.29363         0.012663     -0.229279     -0.443795
      7.78364     15.98641      5.86116        -0.228180     -0.143670      0.030207
      7.85483     17.37249      5.98563        -0.420486     -0.318451      0.150229
      7.60555     17.95468      7.22333        -0.346051     -0.257747      0.086324
      7.71736     19.35282      7.70875         0.694016      1.528841     -1.911825
      7.11165     18.06888      9.44255        -0.505351     -1.107196      2.639126
      7.42324     20.58477      9.90097         0.238963     -0.138101      0.094115
      6.98909     20.54256     11.21556         0.063295      0.817608      0.531181
      6.83392      0.45344     11.95678         1.077743     -0.332670     -0.802207
      7.77611      0.62209      9.50392         0.586601      0.597069      0.176653
      7.79131      1.76148     10.36913         0.741845      0.136757     -0.470947
      7.31040      1.74350     11.69630         0.447176      0.071721      0.316601
      7.31540      2.89089     12.74219         0.287442      0.342354      0.116351
      6.86085      2.89305     14.10171         0.297510      0.136582     -0.382689
      6.83838      3.99955     14.95070        -0.258720      0.125889     -0.324437
      7.77790      4.18828     12.48515        -0.269756     -0.376428      0.315676
      7.62756      5.34425     13.25637         0.266347      0.123986      0.431491
      7.17414      5.32329     14.55833        -0.593860     -0.952975      0.529654
      6.30876      1.65702     14.65302        -2.735397      3.811687      2.099167
      8.36265      3.03816      9.80368         0.258595     -0.237250      0.566084
      4.02602     11.49851     10.76778        -0.048485      0.300585     -0.121318
      3.74842     12.38324      9.73440         0.133008      0.146047      0.412403
      3.82361     13.76897      9.94270        -0.035821     -0.193625     -0.185592
      4.36551     11.97209     12.03144        -0.028862      0.294495     -0.176803
      4.41945     13.35554     12.24130         0.037374      0.144662     -0.073646
      4.16384     14.29871     11.20828         0.123386      0.206651      0.254782
      3.86474     10.12806     10.24645         0.482763     -1.543748      1.619606
      3.38886     11.55405      8.55005        -0.450737      1.136501     -1.786113
      4.27054     15.80192     11.46126         0.013111     -0.739150      0.011577
      4.12353     16.73072     10.41426        -0.070765      0.532228     -0.173137
      4.22132     18.10911     10.64235        -0.060341     -0.481213      0.266919
      4.56883     16.31091     12.75545         0.042538      0.048751     -0.326744
      4.73226     17.67629     12.97475        -0.020721     -0.024738     -0.462430
      4.51086     18.56198     11.91493        -0.282730     -1.212016     -0.200149
      4.53766     19.96877     11.84834         0.161837      4.902060      6.137338
      4.27465     19.30091      9.74351        -0.390142     -0.066832     -0.582265
      4.64309      0.60949     10.12140        -0.388077      0.389762      0.062804
      4.92672      0.93768      8.79124        -0.252529      0.336394      0.143647
      5.22865      2.26477      8.45378        -0.135307     -0.461942      0.645508
      4.63206      1.73671     10.98197        -0.462268      0.523993      0.034373
      4.87187      3.09660     10.59940        -0.203099      0.015514      0.388121
      5.31562      3.40621      9.27422        -0.213776     -0.004015      0.082046
      5.84166      4.79761      8.73623        -0.288156     -0.142126      0.484415
      6.22968      5.09432      7.42449         0.555849      0.377918     -1.192975
      6.48990      6.45578      7.05250         0.304817     -0.883853     -0.602426
      5.83077      5.95169      9.54416         0.560576      1.254773     -1.404564
      6.06068      7.30127      9.21186         0.193231     -1.976489     -0.654679
      6.37667      7.57257      7.87960         0.334591      0.778094      0.613813
      6.28974      3.98695      6.29644         0.708713      0.065293      0.231220
      4.73873      4.14494     11.74187        -0.542317      0.079479      0.101424
      1.36237     14.34337      0.66213        -0.747480      0.646140      0.116936
      1.84856     14.76328      1.89093        -0.316030     -0.281531     -0.205293
      1.74763     16.13759      2.23245        -0.088451     -0.127107      0.226713
      0.80498     15.24961     21.00715         0.307526      0.590644      0.986470
      0.82506     16.61232      0.04568        -0.121747     -0.526678      0.218805
      1.23849     17.10547      1.30929        -0.431488      0.445729      0.115692
      1.46525     12.88588      0.54647        -0.398615      0.817902      1.020503
      2.43558     13.48942      2.51019         1.163079      0.014834      3.011187
      1.08280     18.63371      1.53698        -0.369487     -0.516573     -0.595254
      1.42056     19.30520      2.72367        -0.008042      0.092570      0.400300
      1.27757     20.69797      2.82223        -0.494000      0.007411     -0.570474
      0.56136     19.45946      0.47790         0.075898     -0.442059      0.423481
      0.40088     20.83650      0.58816        -0.174626     -0.239807     -0.267038
      0.75849      0.18873      1.76646         0.121699     -0.444762      0.714571
      0.80541      1.60867      2.12794        -0.927855      1.248419     -1.546583
      1.63959      0.41204      3.87396         0.796573     -0.884676      2.083446
      1.53630      2.94016      4.09564        -0.273920      0.497740      0.034668
      2.07235      2.91609      5.35972        -0.000786      0.165445      0.149296
      2.23881      4.10712      6.02033        -0.456761      0.354368     -0.693769
      1.17552      4.22883      3.63426        -0.160372      0.045400      0.205395
      1.38945      5.42187      4.35167        -0.497201      0.328146     -0.329464
      2.00887      5.44135      5.61975        -0.359761     -0.323715      0.363387
      2.32591      6.65666      6.47999        -0.261221      0.280841      0.041040
      2.92828      6.58747      7.73928        -0.502178      0.707622      0.365051
      3.32858      7.73094      8.49292        -0.253965     -0.956212      0.469223
      2.17514      8.01958      6.10673         0.473564     -0.096906      1.089760
      2.61656      9.15832      6.78707        -0.268852     -1.165957      0.113961
      3.17930      9.04706      8.06828        -0.306462      0.306706     -0.173271
      3.13014      5.27684      8.37671        -0.898521     -0.162204      0.197381
      0.85861      6.71196      3.73531        -0.511995     -0.790659      0.436571
      4.61764     14.04850      0.74951         0.154115      0.178732     -0.279544
      3.91533     14.97511     -0.01162         0.344700     -0.251042     -0.319460
      3.93336     16.35169      0.35166         0.033224     -0.059951     -0.403430
      5.39835     14.49442      1.81723        -0.146441      0.331670     -0.053793
      5.42167     15.85538      2.15186        -0.063558      0.106937     -0.127093
      4.67819     16.85045      1.45472         0.275105      0.412635      0.193315
      4.45389     12.68374      0.15550         1.266562     -0.866850      1.109743
      3.28140     14.12665     20.12448        -1.055114      1.703576     -1.666337
      4.75329     18.37099      1.90846         0.186180     -0.511853     -0.080548
      4.07099     19.45361      1.29132         0.004102      0.182585     -0.183796
      4.20198     20.78963      1.75261         0.201728     -0.013301      0.045775
      5.58797     18.75065      3.00323        -0.086589     -0.137718     -0.104383
      5.73288     20.06870      3.45873        -0.202026     -0.167782     -0.164232
      5.01385     21.08416      2.83203        -0.005379     -0.259481     -0.181303
      4.97256      1.28817      3.07136         1.915249      0.426943      1.970952
      3.63731      0.86944      1.32439        -1.242982     -0.354634     -2.072494
      3.80576      3.33776      2.14069         0.317404      0.449300      0.254309
      2.95037      3.92339      1.21501        -0.126832     -0.201371     -0.608001
      2.68263      5.29367      1.22338         0.609538     -0.104683     -0.248276
      4.25523      4.29752      3.08787         0.208471     -0.020560     -0.524891
      4.05137      5.69891      2.97788         0.317077      0.401906      0.403500
      3.33587      6.34511      1.94435         0.311834     -0.275412      0.234483
      3.23384      7.95236      1.77698        -0.099830      0.441698      1.159564
      2.33216      8.59046      0.92904        -1.314302      0.916751     -0.506071
      2.08777      9.98401      0.78094        -0.640844     -0.930761     -0.411163
      3.67896      8.97395      2.68157        -0.769884      0.616815     -1.687363
      3.33572     10.33623      2.70583        -0.140819     -0.663535     -0.837815
      2.54587     10.92189      1.69776         0.309579      0.664052      0.929166
      1.72031      7.64308     21.22018        -1.212854      0.427820      0.695413
      4.68009      6.54922      4.07212        -0.235507      0.067160     -1.626577
     18.33185     17.31621     13.30272         0.287047     -0.032070      0.714166
     19.37815     17.79856     14.07881        -0.303153      0.458949      0.204442
     19.55775     19.17841     14.23898        -0.105872     -0.136294      0.107885
     17.44164     18.18776     12.68694         0.046936      0.278639      0.193963
     17.62148     19.56444     12.86551         0.158202     -0.009444      0.232503
     18.68055     20.10105     13.64745        -0.386984      0.634222     -0.057939
     18.40762     15.84597     13.36182        -2.575033     -1.659069     -0.526806
     20.18889     16.64089     14.57778        -2.776006      0.304587     -0.832140
     18.81813      0.35667     13.86899        -0.410860     -0.533209     -0.176063
     19.86814      0.93173     14.61452        -0.191862      0.453865      0.245266
     19.84854      2.30766     14.91956        -0.562248     -0.306802     -0.203394
     17.80305      1.24034     13.41249         0.098656     -0.142850     -0.021557
     17.79880      2.60707     13.69144         0.401543     -0.057256      0.091934
     18.84173      3.13694     14.44341         0.189866     -0.431957      0.383042
     19.07760      4.48884     14.99193        -1.971485      1.826716     -0.682133
     20.67779      3.13780     15.82106         0.239270     -0.245765      0.583828
     20.78339      5.60424     16.52639         0.312749      0.447307      0.515527
      0.84041      5.57865     17.08400        -1.570346     -0.586259     -0.600708
      1.45826      6.75872     17.37135         1.487704      0.592082      0.823296
     20.26741      6.91867     16.48105        -0.206563      0.259802      0.910957
     20.85327      8.05750     17.14582        -0.443710      0.208428      0.169627
      0.92604      8.03497     17.64090        -1.125834      0.530707      0.351415
      1.68629      9.20528     18.34368         0.278431      0.755458     -0.147116
      3.00194      9.15989     18.95561        -0.095447     -1.021262     -0.039277
      3.59013     10.25548     19.61614        -0.418702      0.136017     -0.471725
      1.12344     10.46927     18.58498         2.811032     -1.685373      0.835287
      1.79438     11.62280     19.03592        -0.936884      0.060301     -0.518200
      3.03850     11.59052     19.57224         1.596954     -0.580650      0.984128
      3.75773      7.80478     18.95179         2.390033      2.712891     -0.099379
     19.97503      9.30506     17.25225         0.582254     -0.121548      0.816912
      2.03857     18.11866     14.13731        -0.257299      0.460972     -0.297614
      1.26225     19.06574     13.48368         0.283349      0.485461      0.358845
      1.42153     20.42237     13.80588        -0.054037      0.067510     -0.186016
      3.07769     18.52252     14.97868        -0.545436      0.213037     -0.033528
      3.32486     19.88210     15.16866        -0.275012      0.334224      0.134208
      2.45372     20.88768     14.64816         0.010147      0.294795      0.416978
      1.62192     16.80591     13.66484         1.613130     -2.353763     -0.193225
      0.32596     18.37631     12.54084        -0.075705      1.180350     -0.318983
      2.63092      1.12388     14.95848         0.013190     -1.013414      0.371300
      1.84065      2.09899     14.35449        -0.040371      0.841354      0.075364
      2.05127      3.47151     14.59445         0.532990     -0.893685      0.139755
      3.63529      1.56808     15.85631        -0.473429      0.003125     -0.038247
      3.88202      2.91726     16.10805        -0.719407      0.396049     -0.121637
      3.05828      3.85193     15.46832        -0.212305     -0.806985     -0.507800
      3.03263      5.28859     15.53822         2.226846      1.665081      0.823385
      1.29227      4.68604     14.20162         1.529685     -0.145391      0.292927
      1.45116      7.18931     14.76775         0.626041      0.406854     -0.103163
      0.19370      7.52400     14.25258         0.633977     -0.008550     -0.515165
     21.02298      8.85080     14.23635         0.488915     -0.096773     -0.086362
      2.08679      8.29971     15.40468         0.455263      0.659776     -0.466893
      1.63229      9.64806     15.35315         0.141802      0.377722     -0.467197
      0.40761     10.00087     14.70153         0.112256     -0.158872      0.169619
     20.96829     11.36019     14.67355         0.088822     -0.147707     -0.107066
     19.66929     11.61369     14.15352        -0.688770     -0.185712     -0.202679
     19.23972     12.95700     13.98696        -0.235910     -0.463062      0.031586
      0.35967     12.54365     15.05865        -0.434889      0.116167      0.081551
     -0.06500     13.85599     14.99976        -0.571726     -0.252719      0.006824
     19.96504     14.10908     14.39567        -0.646881     -0.155925      0.207786
     18.69245     10.47077     13.54775         0.096072      1.699349     -0.161131
      2.47084     10.73464     16.01339         0.966617     -0.350518     -0.787045
     16.17723      0.41818      5.12304         0.184832      0.226888      0.597516
     17.02475      0.91653      6.10299        -0.629333      0.013335     -0.027394
     17.08640      2.29217      6.39011        -0.190372     -0.447229      0.199815
     15.29610      1.27043      4.48921        -0.014166      0.152482      0.015438
     15.33891      2.63333      4.78479         0.179737      0.258671      0.235431
     16.25518      3.20217      5.70838        -0.401105      0.517980     -0.095321
     16.44182     20.23275      4.97236        -1.439347     -0.921065     -1.604272
     17.73078     20.99115      6.65852         0.816838      0.350446      1.153314
     16.28649      4.71957      5.96351        -0.265668     -0.426348     -0.239004
     17.16993      5.32330      6.88009        -0.028832      0.343835      0.209690
     17.13786      6.71358      7.10519        -0.416753     -0.237688     -0.265831
     15.39127      5.59896      5.29107         0.111678     -0.184913      0.065120
     15.36531      6.97994      5.51032         0.253133     -0.303838      0.078491
     16.25468      7.53555      6.42150         0.214302     -0.313760      0.082093
     16.47315      8.92231      6.88406        -1.484612      1.750771     -1.077243
     17.83698      7.58347      8.07432         1.376082     -0.986250      2.012259
     17.93053     10.10136      8.58221        -0.147270     -0.063954      0.209718
     18.93485      9.99096      9.52578         0.139656      0.508510      0.279334
     19.48239     11.12535     10.11684        -0.862810     -0.294792     -0.396524
     17.51082     11.42712      8.36391        -0.251262      0.596843      0.354574
     18.00022     12.54999      9.08056        -0.620962      0.243300     -0.314189
     19.05658     12.45551     10.03568        -0.132051      0.142553      0.244782
     19.72150     13.58033     10.83048         0.413365      0.138353      0.186409
     20.94244     13.53126     11.61173        -0.402030     -1.049147     -0.494569
      0.30872     14.62778     12.15319         0.423027     -0.128903      0.210669
     19.26451     14.90187     10.83555         0.055447     -0.201449     -0.179501
     19.88421     16.03587     11.35449         0.925853      0.219555      0.129238
     21.10934     15.95348     12.01165         0.446976     -1.080362      0.023254
      0.37661     12.21471     11.87597         1.062169      1.261185     -0.304214
     17.34196     13.88669      8.75085        -0.262400     -0.246417      0.199752
     20.23781      1.25627      6.18415         0.201102      0.463165     -0.200340
     19.68394      2.30653      5.46002         0.593247      0.329271      0.238289
     19.80112      3.62161      5.90018        -0.103322     -0.069475     -0.496220
     20.82176      1.49141      7.42279         0.065175      0.503544     -0.106072
     20.92798      2.81064      7.86858        -0.066367      0.223258     -0.153106
     20.44737      3.91898      7.10494         0.390363      0.031127      0.601824
     19.99491      0.02987      5.41875         0.601867     -2.495470      0.424600
     18.98344      1.73540      4.29286        -0.944424      0.754906     -1.861829
     20.63926      5.35130      7.53982        -0.071607     -0.672139      0.161510
     20.23636      6.37114      6.67946        -0.183908      1.180915      0.068631
     20.45756      7.71475      7.01673         0.149565     -0.571498      0.482863
     -0.03443      5.71203      8.78090        -0.370815      0.371142     -0.239436
      0.22281      7.04635      9.11543        -0.101116     -0.104561     -0.061587
     21.09661      8.03880      8.20886        -0.256931     -1.316823     -0.596335
     21.17292      9.45576      8.27088         2.819736      3.607641      3.814409
     20.05112      8.98309      6.36664        -0.318602      0.408417     -0.787656
     20.26671     11.48999      6.96618         0.644814      0.416514      0.309948
     19.46142     11.90309      5.91294         0.176357      0.249747     -0.076341
     19.18037     13.25233      5.72500         0.497134     -0.355396      0.319597
     20.79208     12.56946      7.74138         0.169063      0.228532     -0.334796
     20.55614     13.94296      7.46137         0.348748      0.147625      0.011298
     19.66484     14.36214      6.42593         0.153624      0.039597      0.044561
     19.14447     15.78006      6.16994         0.229057     -0.013032     -0.000842
     18.25518     16.16313      5.14423        -0.141721      0.325534     -0.719524
     17.77144     17.48531      5.02071         0.164201     -0.063499     -0.116429
     19.42547     16.88505      7.00051        -0.374415      0.302915     -0.751828
     18.92882     18.17917      6.94884         0.051069     -0.498771     -0.310670
     18.03241     18.51362      5.93968        -0.050684      0.255350      0.121142
     17.77022     15.19289      4.08796        -0.066502      0.139033     -0.443678
      0.01632     14.99607      8.30748         0.387939     -0.146060     -0.120170
     12.29038      5.30423      4.00504         0.384652     -0.004889      0.577365
     12.90989      3.74423     20.60241         0.100476     -0.201910     -0.384851
     13.00918      6.11704     21.11089        -0.091224      0.037661     -0.158766
     12.44374      7.48769      4.33673         0.189199     -0.178428      0.492071
     13.25171      7.92017      0.14043        -0.028209      0.023868     -0.108716
     13.54956     10.31974      0.42217         0.084099      0.297686     -0.359689
     13.03833     13.61741      8.44837        -0.225323     -0.265074      1.223962
     12.77328     11.85355      7.13992         0.427502     -0.426076      0.028410
     13.94398     14.28346      3.81811         0.537759     -0.158083     -0.508876
     13.02681     17.13670     11.33620        -0.195708     -0.031394      0.339688
     14.45341     17.81582      6.82018         0.727170     -0.055190     -0.405194
     14.69034     19.56408      8.20700         0.103064      0.125943      0.204184
     10.22730      6.83663      3.36794        -0.093646      0.282398     -0.399360
      9.36574      3.46831      6.86884         0.182473     -0.288270      0.232335
      9.52819      5.82943      7.50771         0.128906     -0.030372      0.044323
     10.62308      8.69357      3.94430        -0.358773     -0.082694     -0.960391
      9.63247      7.72709      8.00123         0.117238     -0.073211      0.111577
      9.88788     10.09170      8.62563         0.046262      0.119561      0.229559
     12.29175     15.79490      2.51202         0.277452      0.033334     -0.462816
     11.76702     13.67179      2.93367        -0.282829     -0.181205      0.048689
     10.81129     14.87658      6.93619        -0.452647     -0.121446      0.350596
     12.62525     20.20379      1.12269         0.714970      0.153495     -0.434852
     11.70777     19.20895      5.66101        -0.313239     -0.130866      0.725222
     11.81687      0.12341      5.18344         0.103457      0.306442     -0.122930
      9.71760      9.31083     17.18523         0.295556      0.033247      0.761766
     10.10236      7.77727     12.50453         0.174156     -0.217573     -0.458008
     10.28472     10.14774     13.02470        -0.142596     -0.110272     -0.019897
      9.83452     11.40750     17.60761         0.269606     -0.143838      0.389695
     10.55703     12.03689     13.40600        -0.036074      0.037475     -0.051706
     10.81912     14.43002     13.80434         0.006360      0.332105     -0.389969
      9.79567     17.70826      0.49532        -0.749225     -0.200918      0.864358
      9.96477     15.87107     20.60466        -0.020695     -0.348451     -0.170927
     10.71611     18.34678     17.19210         0.721812     -0.138899     -0.678672
      9.68526      0.00153      3.40720        -0.592337      0.230217      0.128145
     10.89116      0.76908     20.14248         0.820744      0.114939     -0.171963
     10.56743      2.59472      0.11732        -0.175984      0.509251     -0.111077
      7.79393     10.58964     16.12055        -0.348422      0.375096     -0.512211
      6.91141      7.24536     19.65003         0.084890     -0.269679      0.236612
      6.93199      9.61988     20.22357         0.222307     -0.010527      0.149669
      7.91831     12.66809     16.71623        -0.301748      0.042957     -0.801902
      6.78605     11.47209     20.66767         0.198687     -0.033965      0.087109
      6.78320     13.79680      0.09671         0.231106      0.045883      0.498883
      9.51757     19.88304     15.97148        -0.212654      0.115278     -0.202692
      8.91052     17.76228     16.15946        -0.251998     -0.293560      0.044914
      7.25039     18.83322     19.98444        -0.345165     -0.232387      0.429858
      9.43357      3.01714     14.33689         0.480013     -0.081137     -0.383952
      8.54170      2.04932     18.95034        -0.343670     -0.247440      0.597895
      8.81311      4.22133     18.41413         0.277321      0.368071      0.138052
      6.81328     13.03031      8.71364        -0.072620      0.068664      0.523980
      7.54748     11.33955      4.09197         0.031317     -0.156788     -0.359231
      7.80103     13.72151      4.57158        -0.066500     -0.004948     -0.000352
      6.81583     15.15280      9.00080        -0.081830     -0.119650      0.462161
      8.05350     15.56449      4.89256        -0.042951      0.024690      0.020566
      8.18825     17.96407      5.15779        -0.065324      0.302812     -0.510253
      6.23321      0.28613     12.78130        -0.700900     -0.326919      0.950765
      6.56704     19.66693     11.67656         0.435547     -0.529295     -0.001303
      8.09299      0.79033      8.50003         0.271249      0.046592     -0.741825
      6.64279      3.75761     15.97199        -0.411950      0.244708      0.546647
      8.02714      4.44721     11.50699         0.886692      0.302956     -0.423301
      7.95420      6.23714     12.77577         0.039926      0.836766     -0.235794
      3.59817     14.44575      9.13583        -0.141518      0.161871     -0.469119
      4.56765     11.29911     12.84856         0.074123     -0.329974      0.294202
      4.66340     13.71114     13.24663         0.007981     -0.090876     -0.121397
      3.98501     16.41275      9.40278        -0.225559     -0.360512     -0.712806
      4.61441     15.65237     13.62348         0.215899     -0.029561     -0.173552
      4.95624     18.04921     13.96183         0.450511      0.082810     -0.044088
      5.44021      2.31736      7.43198         0.130404      0.092587     -0.768790
      4.95739      0.20496      7.98555        -0.107780     -0.058500      0.123394
      4.51640      1.56792     12.03720        -0.520004     -0.110976      0.282451
      6.72173      6.62215      6.01813         0.356656      0.138739     -0.183717
      5.45360      5.91829     10.49786        -0.431064     -0.147822      1.384298
      5.83693      8.01263      9.97707         0.180812      0.627158      0.285188
      2.09987     16.46434      3.19886         0.121923      0.098173      0.444818
      0.49453     14.96253     20.03557        -0.438771     -0.523772     -0.806416
      0.54416     17.29416     20.50210        -0.164807     -0.104575      0.122796
      1.81484     18.75237      3.56389         0.168370     -0.142007      0.369750
      0.25855     19.02809     20.78910         0.007841     -0.123654     -0.074148
      0.04153      0.17159     21.01662        -0.144390      0.083125     -0.261199
      2.56309      3.84846      6.95477         0.115489     -0.215679      0.965538
      2.35299      2.01375      5.90117        -0.127455     -0.003134     -0.299129
      0.76510      4.33115      2.66054        -0.579080     -0.045306     -0.647708
      3.74818      7.52533      9.46874        -0.252114      0.234427      0.035146
      1.88350      8.22763      5.13332        -0.727727      0.579673     -0.864162
      2.50257     10.06871      6.25177        -0.077624      1.019180     -0.112014
      3.27223     17.03410     21.10441         0.059514      0.264964     -0.623922
      6.03457     13.80190      2.34760         0.091522     -0.288302      0.372398
      6.06687     16.14262      2.97816         0.030922      0.023899      0.091914
      3.40319     19.24901      0.47114        -0.158980      0.042984     -0.492051
      6.17569     17.99376      3.52098        -0.029938     -0.013106      0.011111
      6.40137     20.29533      4.27632         0.237171      0.047035      0.346428
      1.92968      5.45149      0.50167        -0.382354      0.117749     -0.232813
      2.40470      3.36828      0.43617         0.343256     -0.021287      0.485449
      4.80509      3.97000      3.93400         0.440554     -0.332824      0.465858
      1.56693     10.26615     21.12724        -0.425203     -0.017741      0.488156
      4.10402      8.70214      3.56237         1.641994     -0.253275      1.589109
      3.69918     10.88029      3.54413         0.277534      0.724267      0.632341
     20.45897     19.55579     14.68346         0.251408      0.023863      0.762322
     16.60833     17.82287     12.10482        -0.250416     -0.189359     -0.271761
     16.90920     20.23422     12.38753        -0.031136     -0.011413     -0.065507
     20.66873      0.30725     14.97124         0.295861     -0.177862      0.424841
     16.97333      0.84967     12.82632        -0.064222     -0.021446      0.030297
     16.99526      3.23980     13.36653        -0.479405      0.338239     -0.289720
      2.53740      6.69373     17.21898        -0.569312     -0.087915      0.675041
      1.48057      4.70916     16.98944        -0.249207     -0.303277      0.328406
     19.36150      7.09466     15.93890        -0.711749     -0.014799     -0.010001
      4.41449     10.04277     20.25561         0.862661     -0.036609      0.191229
      0.23461     10.66017     18.17071        -2.732294      0.870919     -0.720384
      1.30718     12.52385     18.70135        -0.127418      0.513655      0.671061
      0.72367     21.14651     13.42133        -0.215527      0.198468     -0.566719
      3.73657     17.78304     15.39347         0.147806     -0.346603      0.544006
      4.23277     20.16021     15.71024        -0.218196      0.012408      0.105445
      0.96510      1.80371     13.83207        -0.618633     -0.181789     -0.989482
      4.40142      0.87087     16.16757        -0.509133     -0.234987      0.672297
      4.75278      3.24850     16.66874        -0.251001     -0.036690      0.327452
     20.06044      8.91394     13.83791        -0.686911     -0.014500     -0.357275
     20.76333      6.79268     13.84512         0.159151     -0.133367     -0.166697
      2.90038      8.13032     16.09527         0.693633     -0.001811     -0.626369
     18.37090     13.11366     13.37318        -0.566940      0.085266      0.120808
      1.33547     12.52397     15.43161         0.723012      0.009447     -0.298393
      0.64207     14.60938     15.31893        -0.164252      0.201936      0.062126
     17.82112      2.66321      7.08001         0.116271     -0.010431      0.643945
     14.56460      0.87006      3.81164        -0.173132     -0.104481     -0.433084
     14.62086      3.27533      4.28612         0.017442      0.083010     -0.080185
     17.88767      4.71499      7.40158         0.250824     -0.174679      0.436325
     14.68737      5.18926      4.56750        -0.004428      0.040219     -0.009383
     14.66719      7.59941      4.98150        -0.338172      0.313380     -0.291320
     20.32516     10.85522     10.66154         0.690888     -0.224568      0.179485
     19.46273      9.07336      9.74574        -0.449239     -0.292984      0.107596
     16.76038     11.62090      7.62887        -0.502441      0.073804     -0.445494
      1.09713     14.36311     12.84604         0.420985      0.449716     -0.297093
     18.45541     15.17501     10.21342        -0.712870      0.103501      0.290071
     19.45872     16.98698     11.11411        -0.247471      0.569672     -0.125350
     19.35853      4.40003      5.29566        -0.095900      0.190613     -0.238519
     21.16177      0.67960      8.03956         0.279341     -0.427102      0.232614
      0.19013      2.98858      8.80995        -0.183688     -0.025588      0.026253
     19.71635      6.17436      5.76185        -0.133031     -0.175378     -0.433688
      0.29904      4.94144      9.46457        -0.395429      0.060498      0.224497
      0.71332      7.27776     10.06313        -0.085530      0.149156     -0.051492
     18.52157     13.36724      4.92938        -0.649621      0.053446     -0.682885
     19.03055     11.22015      5.19521        -0.082153     -0.282223      0.029073
      0.11753     12.35322      8.61392         0.543681     -0.201517      0.178815
     17.07202     17.66999      4.23186        -0.051608      0.203165     -0.510835
     20.06550     16.79946      7.80720         0.844178     -0.075209      0.687674
     19.34890     18.87813      7.65607        -0.261071      0.290158      0.174561
     14.03473     19.30077     10.62765        -0.149682      0.281295      0.562428
     18.71364     20.95548      3.74526        -0.135674     -0.527588     -0.607072
     12.47719      1.20665      2.70134         0.348247     -0.206508      0.325767
     13.42918     11.65752      4.45794         0.297648     -0.551386      0.643910
      9.86122      2.63164      2.81938        -0.565916      0.033112      0.104732
     10.77467     12.66772      5.35011        -0.448374      0.035683     -0.495318
      9.60006      5.22951     15.91252         0.589623     -0.350044     -0.709365
     10.45105     15.66642     17.84303         0.466973      0.048559      0.566517
      7.12546      6.41978     15.49640        -0.507853     -0.100985     -0.054870
      7.70427     16.60479     18.36377        -0.465310      0.206304     -0.321251
      6.53420      8.95658      7.45295         0.232524     -0.062527     -0.333244
      7.38355     19.41234      9.06188         0.311617     -0.249119      0.116596
      3.48929     10.18101      8.89099         0.023705     -0.094612      0.104360
      4.41998     20.50453     10.56410        -0.414896     -0.788579      0.106733
      2.26517     12.36627      1.60777        -0.778428      0.003828     -0.394166
      1.33747      1.72924      3.41387        -0.306290     -0.435086     -0.488473
      3.63285     12.76649     20.27458         0.024279     -0.801476     -0.119918
      4.09135      1.90994      2.19211         0.019527      0.026309     -0.301380
     19.52300     15.45243     14.12925         0.044418     -0.087381      0.857671
     20.14629      4.47472     15.88449         0.530602     -0.480033      0.422321
      0.57940     16.99273     12.64039         0.476644      0.249574      0.038770
      1.97586      5.83656     14.76897        -0.376884     -0.180537     -0.702182
     17.44524     19.83688      5.86447        -0.303978     -0.071887      0.002691
     17.47915      8.94927      7.85730        -0.345280     -0.380651      0.036045
     19.19590      0.35259      4.32394         1.051349      1.527135      0.706328
     20.52061     10.09482      7.20223         0.171699     -1.042594     -0.443781
     12.07889      2.34834      4.74539         0.492726     -0.237990      0.210373
     12.94854      0.98907      0.41665         0.651341      0.304206      0.680360
     12.91722      9.93971      6.03306         0.742979      0.220865     -0.117231
     13.71771     12.63086      2.33052        -0.297275     -1.482023      1.188701
     10.12944      4.50831      1.40436        -0.662849     -0.400383      0.385691
      9.40804      1.44602      4.83093         0.019040      0.997934     -0.691852
     10.95502     11.57267      3.28072        -0.270980      0.316066     -3.040324
     10.31577     12.87476      7.64671         0.008685     -0.519844     -0.876900
      9.40990      6.40090     17.92736         0.569238     -0.136347      0.336188
      9.95977      5.00406     13.61954         1.541376     -2.938437     -3.510039
     10.03312     13.88317     19.39295         0.768826      0.626124     -0.507620
     10.79353     16.66333     15.72425        -0.043197     -0.966261      0.997998
      7.50833      8.29516     14.15235        -0.536851      0.300245     -0.997318
      6.81177      5.21276     17.50858        -0.376368      0.925021     -0.692818
      8.17000     15.63682     16.27296        -0.289220      0.453400     -2.077583
      7.12040     16.66118     20.63136         0.144983     -0.379316     -0.715944
      6.38488     10.15719      9.47332         0.368609     -0.093912     -0.445933
      7.03245      8.63481      5.18836        -0.004841      0.453065      0.670198
      6.79856     17.70070     10.58795         0.837560      0.523868     -1.023395
      8.07770     20.32408      7.03348        -0.358700     -0.511755      0.354069
      3.07378     11.98842      7.43701         0.201845     -0.395800      0.628952
      4.05693      9.09731     10.90502        -0.384988      0.594339     -0.415441
      4.25600     19.28367      8.53208        -0.073421      0.165004     -0.659483
      4.62670     20.68109     13.00015        -0.783717     -2.834609     -4.994132
      2.97461     13.40399      3.63326        -0.835038     -0.017180     -1.771284
      0.81211     12.26221     21.01186        -1.327148     -1.188519     -0.755445
      2.13004      0.12946      4.97564        -0.312503      0.269832     -0.937953
      0.46438      2.55491      1.40957        -0.159188     -0.626313      0.512840
      2.55056     14.52818     19.20591         1.135521     -0.292989      0.401198
      4.98667     11.65455      0.59120        -0.365859      0.606949     -0.338431
      2.87331      1.04008      0.36877         0.927545      0.164455      0.440617
      5.66861      1.86787      3.91107        -0.371387     -0.320210     -0.628196
     -0.07230     16.70791     15.22445         1.692669     -0.127427      2.409407
     17.56410     15.06160     12.88286         0.727958      0.962698      0.875794
      0.40572      2.75720     16.41627         0.042778     -0.092515      0.998717
     18.39470      5.48423     14.71032         0.452476     -0.462036      0.189369
     20.74028     18.94617     11.84791         0.659444     -0.621148     -0.450842
      2.16514     15.71553     13.96233        -1.082202      1.907018     -0.506061
      0.27428      4.70416     13.56560        -1.350663      0.296239     -1.324154
      3.86093      5.93646     16.20373        -0.572507     -0.308395     -1.104707
     18.47507     21.03251      7.62899        -0.377277     -0.437006      0.399283
     15.87035     19.49987      4.15181         0.469787      0.406857      0.444648
     18.57621      7.17674      8.97917        -1.151187      0.422747     -0.322584
     15.85091      9.91927      6.49576         0.479110     -0.609926      0.128056
     18.30556      2.30424      3.42616         0.618197     -0.260085      0.661203
     20.33945     20.12618      5.68045         0.342759      1.060221     -0.441308
     19.41974      9.09874      5.32548        -0.008048      0.123664      0.232382
      0.52224     10.05973      9.24343        -1.434955     -1.641680     -3.303086
     13.56561     17.66288      5.36598         0.764334     -0.524119     -0.543673
     15.56452     16.89892      5.56282        -0.109111     -0.626951     -0.093663
     14.45306     16.50654      3.74295         0.234727     -0.129263     -0.248549
     11.95235     15.11649     11.23557         0.102550      0.562247      0.200055
     11.46750     14.57763      9.21083         0.271199     -0.008371      0.585560
     13.44828     13.97445     10.18345        -0.365153     -0.150704      0.260239
     11.96480     18.29699      7.19046        -0.446404     -0.729228     -0.037340
     10.03318     18.41004      6.26528         0.011915     -0.166527      0.355420
     10.45280     16.89658      7.82288        -0.153389     -0.101074     -0.172603
     12.89574     18.15911      0.15450         0.654850      0.755020     -0.379645
     13.82092     16.76745      1.55736         0.634686      0.143994     -0.354230
     11.77045     16.58299      0.97949        -0.330605      0.008034      0.125571
      9.99943      0.38651     18.72471         1.114024     -0.417964     -0.522520
     12.11896     -0.02220     18.77191         0.277240     -0.517618      0.023019
     10.99790     20.69840     17.01168         0.763908     -0.110268      0.447999
      9.26344     19.12789      3.53452        -0.305233      0.315923     -0.186980
      8.28441     18.50261      1.67439        -0.187888      0.325532      0.194780
     10.37101     18.11186      2.00762        -0.491749     -0.753297      0.587313
      8.24137      0.84152     20.49657        -0.883885     -0.603251     -0.552700
      6.57895      1.23876     19.16291        -0.687623     -0.499029      0.151791
      6.45395     20.90086     20.68329        -0.140228     -0.182930     -0.168728
      9.09677      0.89886     13.36556         0.238778     -0.165323      0.518634
     10.40073     21.00709     14.61139         0.431218      0.273556      0.256686
      8.31914     20.41088     14.52305         1.311919      1.099776     -0.670735
      7.49505      4.10687      9.90925         1.266792     -0.497491     -0.197252
      9.48460      3.50364     10.45909         0.463091     -0.665419     -0.332342
      8.65753      2.96601      8.50298         0.581320     -0.366174      0.009033
      6.26112      1.60483     16.07731        -0.702505      0.848253     -0.544184
      5.03454      1.52281     14.12620         0.511410      0.136646      0.081102
      6.87852      0.59771     14.39805         1.729893     -4.123259     -0.704976
      5.82239      4.95932     11.87961        -0.906079     -0.235150      0.000758
      3.72507      5.09614     11.67828        -0.331921     -1.089387      0.927660
      4.57748      3.56310     12.95554        -0.540636     -0.000535     -0.408323
      6.81860      4.39891      5.11996         0.775524     -0.006006      0.183778
      7.11668      2.97281      6.70871        -0.010950      0.061877     -0.343286
      5.11133      3.34404      5.93467         0.373855      0.844546      0.223628
      0.02126      7.41918      4.56205        -0.218347     -0.460020     -0.537442
      1.84554      7.60325      3.47089        -1.167363     -0.134337     -0.074304
      0.16683      6.50166      2.60120        -0.249738     -0.056880      0.050193
      3.54844      5.41360      9.62638        -0.408689      0.037772     -0.458120
      2.03685      4.40393      8.57227         0.295632      0.400629      0.196936
      3.95758      4.52244      7.59985        -0.292607      0.562868      0.816326
      5.67763      7.31735      3.52020         0.374687     -0.647321      0.134902
      3.88134      7.44776      4.74178         0.822959     -0.579851     -0.336141
      5.12363      5.79073      5.04245         0.079180     -0.261906      0.525548
      1.18731      8.13809     20.09611        -0.815553     -0.023635      0.916470
      2.81880      6.95947     -0.28799        -0.204696     -1.330728     -0.935915
      0.68451      6.76457      0.29866         0.204585      0.611998      0.489409
     19.78734      9.64099     18.59030        -0.728180     -0.589269     -0.290245
     20.47999     10.49837     16.72846        -0.845012     -0.744030      0.607100
     18.80522      9.15396     16.64752        -0.830509     -0.312315      0.752979
      4.71024      7.77547     19.95984         0.069922      0.331183     -0.084937
      3.15230      6.66392     19.01215        -0.451913     -1.911390     -0.979083
      4.48481      7.74746     17.77737        -0.004432      0.542474     -0.152774
      3.10610     11.54891     15.07723        -0.037145     -0.271798     -0.227163
      1.80039     11.61202     16.81038         0.611911      0.026721     -1.052429
      3.48137     10.27063     16.78119         0.591841     -0.184711     -0.671931
     17.59407     11.06456     13.03024        -0.679020      0.416800      0.207419
     19.09800      9.66932     12.49200         0.088827      0.184484      0.125512
     18.30480      9.61858     14.50510        -0.716916     -0.070339      0.062576
     16.69870     14.40480      9.85463        -0.505885     -0.298226     -0.198366
     18.22723     14.86989      8.37399        -0.871834     -0.302941      0.160242
     16.42975     13.83527      7.74882        -0.062995     -0.240581      0.048379
      1.35851     12.20824     12.83970         0.220342      0.429684     -0.723113
     20.76780     11.27648     12.23451         0.764497     -0.919305     -0.079831
      1.00857     11.79584     10.75187         0.321018      0.136694     -0.138948
      0.70668     15.92563      7.55047         0.220545     -0.691692     -0.015588
     20.45248     15.77658      9.10296         1.039774     -0.481365     -0.691117
      0.90401     14.46718      9.19218         0.285866     -0.166103     -0.422442
     17.06641     15.71881      3.06126        -0.098385      0.657814     -0.095014
     18.83824     14.56899      3.46358        -0.258635      0.082462     -0.125866
     16.90591     14.23476      4.60878         0.172972      0.253293     -0.227604
 -----------------------------------------------------------------------------------
    total drift:                               -0.003276      0.006422     -0.008257


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4520.7140679249 eV

  energy  without entropy=    -4520.8565199705  energy(sigma->0) =    -4520.76155194
 
 d Force = 0.1682505E+01[-0.875E-02, 0.337E+01]  d Energy = 0.1688059E+01-0.555E-02
 d Force =-0.1169563E+04[-0.118E+04,-0.116E+04]  d Ewald  =-0.1169549E+04-0.134E-01


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   18(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3184
 total energy-change (2. order) : 0.8634157E+01  (-0.5201797E+03)
 number of electron    2498.0000003 magnetization 
 augmentation part      163.5351796 magnetization 

  free energy =  -0.451207990523E+04  energy without entropy=  -0.451222838775E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   18(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3624
 total energy-change (2. order) :-0.1609794E+02  (-0.1889694E+02)
 number of electron    2498.0000004 magnetization 
 augmentation part      164.0679045 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7526
  0.7526

  free energy =  -0.452817784454E+04  energy without entropy=  -0.452832586082E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   18(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3768
 total energy-change (2. order) : 0.7713687E+00  (-0.4462756E+00)
 number of electron    2498.0000004 magnetization 
 augmentation part      163.7172311 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2429
  1.2429  1.2429

  free energy =  -0.452740647585E+04  energy without entropy=  -0.452755405947E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   18(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3616
 total energy-change (2. order) : 0.2717529E+00  (-0.3118578E+00)
 number of electron    2498.0000004 magnetization 
 augmentation part      163.3602495 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2196
  1.9531  0.9436  0.7620

  free energy =  -0.452713472290E+04  energy without entropy=  -0.452728056259E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   18(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3632
 total energy-change (2. order) :-0.2645262E-01  (-0.5761508E-01)
 number of electron    2498.0000004 magnetization 
 augmentation part      163.3814770 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3068
  2.2404  1.0126  1.0126  0.9617

  free energy =  -0.452716117553E+04  energy without entropy=  -0.452730634203E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   18(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3624
 total energy-change (2. order) : 0.2946625E-01  (-0.3537584E-01)
 number of electron    2498.0000004 magnetization 
 augmentation part      163.4084628 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2825
  2.3007  1.1047  1.1047  0.9512  0.9512

  free energy =  -0.452713170928E+04  energy without entropy=  -0.452727725989E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   18(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3688
 total energy-change (2. order) :-0.4117260E-02  (-0.6821931E-02)
 number of electron    2498.0000004 magnetization 
 augmentation part      163.4489884 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2719
  2.3797  1.0469  1.0469  1.1195  1.1195  0.9187

  free energy =  -0.452713582654E+04  energy without entropy=  -0.452728087993E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   18(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) : 0.8051083E-03  (-0.1185132E-02)
 number of electron    2498.0000004 magnetization 
 augmentation part      163.4508896 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2488
  2.4271  1.1134  1.1134  1.2068  1.0385  0.9212  0.9212

  free energy =  -0.452713502143E+04  energy without entropy=  -0.452728032730E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   18(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) :-0.7036031E-03  (-0.4325681E-03)
 number of electron    2498.0000004 magnetization 
 augmentation part      163.4425700 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2607
  2.5250  1.7640  1.0160  1.0160  0.9543  0.9543  1.0401  0.8159

  free energy =  -0.452713572503E+04  energy without entropy=  -0.452728067667E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   18(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) :-0.3500160E-03  (-0.5662178E-04)
 number of electron    2498.0000004 magnetization 
 augmentation part      163.4420661 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2592
  2.6246  1.9834  1.0831  1.0831  1.1322  0.9003  0.9003  0.9581  0.6672

  free energy =  -0.452713607505E+04  energy without entropy=  -0.452728118954E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   18(  11)  ---------------------------------------



 eigenvalue-minimisations  :  3608
 total energy-change (2. order) :-0.3962888E-03  (-0.5635345E-04)
 number of electron    2498.0000004 magnetization 
 augmentation part      163.4427017 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2403
  2.6619  1.9651  1.4030  1.0404  1.0404  0.9224  0.9224  0.9511  0.8674  0.6294

  free energy =  -0.452713647134E+04  energy without entropy=  -0.452728145734E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   18(  12)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) :-0.3434103E-03  (-0.1085939E-04)
 number of electron    2498.0000004 magnetization 
 augmentation part      163.4424425 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2712
  2.7360  2.1656  1.6018  1.0487  1.0487  1.0325  1.0325  0.8703  0.8703  0.9644
  0.6121

  free energy =  -0.452713681475E+04  energy without entropy=  -0.452728180332E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   18(  13)  ---------------------------------------



 eigenvalue-minimisations  :  3256
 total energy-change (2. order) :-0.3633444E-03  (-0.6443078E-05)
 number of electron    2498.0000004 magnetization 
 augmentation part      163.4428741 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3118
  2.9713  2.4938  1.6277  1.0442  1.0442  1.3188  0.9227  0.9227  0.9436  0.9436
  0.8863  0.6230

  free energy =  -0.452713717809E+04  energy without entropy=  -0.452728213544E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   18(  14)  ---------------------------------------



 eigenvalue-minimisations  :  3072
 total energy-change (2. order) :-0.2616139E-03  (-0.3956002E-05)
 number of electron    2498.0000004 magnetization 
 augmentation part      163.4430140 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3872
  3.8509  2.5417  1.6679  1.6679  1.0521  1.0521  1.0269  1.0269  0.8664  0.8664
  0.8941  0.8941  0.6267

  free energy =  -0.452713743971E+04  energy without entropy=  -0.452728238008E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   18(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2632
 total energy-change (2. order) :-0.1791996E-03  (-0.2059710E-05)
 number of electron    2498.0000004 magnetization 
 augmentation part      163.4428767 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4029
  4.1703  2.5816  1.9109  1.4902  1.0551  1.0551  1.0588  1.0588  0.9309  0.9309
  0.9503  0.9103  0.9103  0.6269

  free energy =  -0.452713761891E+04  energy without entropy=  -0.452728254478E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   18(  16)  ---------------------------------------



 eigenvalue-minimisations  :  2408
 total energy-change (2. order) :-0.7512252E-04  (-0.7640219E-06)
 number of electron    2498.0000004 magnetization 
 augmentation part      163.4427812 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4311
  4.5508  2.6229  2.0500  1.3837  1.3837  1.0589  1.0589  1.3321  0.9017  0.9017
  1.0201  0.9228  0.9228  0.6302  0.7268

  free energy =  -0.452713769403E+04  energy without entropy=  -0.452728263175E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   18(  17)  ---------------------------------------



 eigenvalue-minimisations  :  2384
 total energy-change (2. order) :-0.5931585E-04  (-0.5397465E-06)
 number of electron    2498.0000004 magnetization 
 augmentation part      163.4427080 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4716
  5.1260  2.7077  2.3011  1.5877  1.0574  1.0574  1.2562  1.2562  1.1374  0.9769
  0.9769  0.9253  0.9253  0.6274  0.8137  0.8137

  free energy =  -0.452713775335E+04  energy without entropy=  -0.452728268178E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   18(  18)  ---------------------------------------



 eigenvalue-minimisations  :  2312
 total energy-change (2. order) :-0.3168007E-04  (-0.2863498E-06)
 number of electron    2498.0000004 magnetization 
 augmentation part      163.4426761 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5063
  5.4785  2.8383  2.5074  1.8369  1.3471  1.3471  1.0625  1.0625  1.2293  0.8829
  0.8829  0.9576  0.9576  0.9833  0.8853  0.6271  0.7209

  free energy =  -0.452713778503E+04  energy without entropy=  -0.452728272198E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   18(  19)  ---------------------------------------



 eigenvalue-minimisations  :  2280
 total energy-change (2. order) :-0.1306977E-04  (-0.1422058E-06)
 number of electron    2498.0000004 magnetization 
 augmentation part      163.4427035 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5274
  5.9152  3.0063  2.5646  1.9604  1.3713  1.3713  1.0616  1.0616  1.3033  0.9879
  0.9879  0.8917  0.8917  1.0237  0.8778  0.8778  0.6267  0.7117

  free energy =  -0.452713779810E+04  energy without entropy=  -0.452728273293E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   18(  20)  ---------------------------------------



 eigenvalue-minimisations  :  2248
 total energy-change (2. order) :-0.7760042E-05  (-0.9917079E-07)
 number of electron    2498.0000004 magnetization 
 augmentation part      163.4427035 magnetization 

  free energy =  -0.452713780586E+04  energy without entropy=  -0.452728274257E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.9657       2 -56.1734       3 -56.0181       4 -55.7820       5 -55.7895
       6 -56.2998       7 -57.8977       8 -58.2045       9 -56.3149      10 -56.0244
      11 -56.1027      12 -55.8279      13 -55.7895      14 -55.9906      15 -57.9630
      16 -58.0899      17 -56.3204      18 -54.8656      19 -54.5929      20 -55.1211
      21 -55.5430      22 -55.4660      23 -55.5375      24 -55.5776      25 -55.0065
      26 -54.6079      27 -54.8241      28 -54.9364      29 -60.5341      30 -60.5152
      31 -55.6380      32 -55.8643      33 -55.7422      34 -55.2895      35 -55.5312
      36 -56.0145      37 -57.8789      38 -58.0336      39 -56.0722      40 -55.7529
      41 -55.9698      42 -55.7334      43 -55.7621      44 -55.8705      45 -58.0276
      46 -58.1654      47 -56.5441      48 -55.1412      49 -54.8425      50 -55.3079
      51 -55.8704      52 -55.7488      53 -55.5721      54 -55.7728      55 -55.0574
      56 -54.6253      57 -54.8932      58 -56.3669      59 -60.6054      60 -60.7750
      61 -55.9617      62 -56.0493      63 -55.9249      64 -55.7379      65 -55.7535
      66 -56.2152      67 -57.8322      68 -58.1121      69 -56.2412      70 -55.9409
      71 -56.0604      72 -55.7461      73 -55.6708      74 -55.9047      75 -57.9786
      76 -58.2030      77 -56.4443      78 -54.9652      79 -54.6265      80 -55.2411
      81 -55.6696      82 -55.6468      83 -55.6312      84 -55.7092      85 -55.0758
      86 -54.8163      87 -54.9908      88 -56.4363      89 -60.7149      90 -60.6303
      91 -55.6667      92 -55.8211      93 -55.6732      94 -55.3954      95 -55.4672
      96 -55.9927      97 -57.8916      98 -57.9448      99 -56.0838     100 -55.8400
     101 -55.9888     102 -55.5585     103 -55.5752     104 -55.8577     105 -57.9848
     106 -58.1105     107 -56.4641     108 -55.0078     109 -54.8344     110 -55.2614
     111 -55.7559     112 -55.6813     113 -55.5379     114 -55.6487     115 -55.0936
     116 -54.7096     117 -54.8938     118 -56.3655     119 -60.4678     120 -60.5840
     121 -55.8909     122 -55.9800     123 -55.8314     124 -55.7417     125 -55.7431
     126 -56.1490     127 -57.9354     128 -58.0793     129 -56.0731     130 -55.7529
     131 -55.8764     132 -55.5958     133 -55.5486     134 -55.7747     135 -57.8397
     136 -57.9841     137 -56.3729     138 -54.9333     139 -54.6780     140 -55.1781
     141 -55.6692     142 -55.7324     143 -55.7187     144 -55.7028     145 -55.2546
     146 -54.8570     147 -55.1281     148 -56.4497     149 -60.6319     150 -60.6416
     151 -55.5534     152 -55.6627     153 -55.5075     154 -55.3466     155 -55.3750
     156 -55.8218     157 -57.7373     158 -57.8454     159 -55.8088     160 -55.5334
     161 -55.7006     162 -55.4149     163 -55.3949     164 -55.5046     165 -58.4915
     166 -57.9125     167 -56.3318     168 -54.9901     169 -54.7146     170 -55.2847
     171 -55.7700     172 -55.7221     173 -55.7266     174 -55.6778     175 -55.0660
     176 -54.5424     177 -54.8419     178 -56.2563     179 -60.5737     180 -60.6667
     181 -55.8078     182 -56.0124     183 -55.8543     184 -55.5565     185 -55.5736
     186 -56.1811     187 -57.8697     188 -58.1079     189 -56.1651     190 -55.7919
     191 -55.9123     192 -55.6758     193 -55.6009     194 -55.8129     195 -57.8983
     196 -58.0537     197 -56.3209     198 -54.7695     199 -54.5618     200 -55.0949
     201 -55.6389     202 -55.6252     203 -55.6605     204 -55.6451     205 -55.1527
     206 -54.9027     207 -55.0215     208 -56.4218     209 -60.6383     210 -60.5846
     211 -55.9648     212 -56.1168     213 -55.8690     214 -55.7500     215 -55.6915
     216 -56.2190     217 -58.1641     218 -58.1690     219 -56.1516     220 -55.7977
     221 -55.9165     222 -55.6024     223 -55.5019     224 -55.7743     225 -57.8532
     226 -58.0480     227 -56.3277     228 -54.7992     229 -54.7393     230 -55.0122
     231 -55.5422     232 -55.7446     233 -55.8107     234 -55.5647     235 -55.2040
     236 -54.8049     237 -55.0418     238 -56.4828     239 -60.4294     240 -60.4802
     241 -55.9339     242 -55.9953     243 -55.8379     244 -55.7427     245 -55.7678
     246 -56.1500     247 -57.9310     248 -58.1153     249 -56.2373     250 -55.9553
     251 -56.0871     252 -55.7851     253 -55.7823     254 -55.9589     255 -57.9960
     256 -58.0686     257 -56.5274     258 -55.1595     259 -54.9239     260 -55.3188
     261 -55.8089     262 -55.8689     263 -55.8206     264 -55.7800     265 -55.3503
     266 -54.7950     267 -55.1612     268 -56.4363     269 -60.5621     270 -60.5264
     271 -55.9308     272 -56.0081     273 -55.8087     274 -55.8246     275 -55.7805
     276 -56.1307     277 -58.1397     278 -58.2096     279 -55.8499     280 -55.6425
     281 -55.7533     282 -55.4934     283 -55.3820     284 -55.6370     285 -58.0478
     286 -58.0147     287 -56.5811     288 -55.1557     289 -54.8083     290 -55.4747
     291 -55.7663     292 -55.7041     293 -55.6285     294 -55.7541     295 -55.0292
     296 -54.6554     297 -54.8423     298 -56.3531     299 -60.5545     300 -60.7234
     301 -55.8384     302 -55.9652     303 -55.8171     304 -55.5785     305 -55.6000
     306 -56.0851     307 -57.9890     308 -58.1132     309 -56.1309     310 -55.7938
     311 -55.9419     312 -55.6635     313 -55.6544     314 -55.8615     315 -57.9185
     316 -58.0230     317 -56.3641     318 -54.8732     319 -54.6247     320 -55.1135
     321 -55.6416     322 -55.6601     323 -55.6849     324 -55.6754     325 -55.0562
     326 -54.9748     327 -55.1587     328 -56.5185     329 -60.5517     330 -60.4217
     331 -55.6477     332 -55.7161     333 -55.5403     334 -55.4583     335 -55.4242
     336 -55.8571     337 -57.7763     338 -57.8635     339 -55.6727     340 -55.4029
     341 -55.5205     342 -55.2759     343 -55.2789     344 -55.4247     345 -57.8736
     346 -57.8112     347 -56.2744     348 -54.7959     349 -54.6192     350 -55.1895
     351 -55.6136     352 -55.5739     353 -55.5493     354 -55.5261     355 -55.0190
     356 -54.5088     357 -54.7742     358 -56.2640     359 -60.4097     360 -60.5654
     361 -39.2144     362 -38.8255     363 -39.0616     364 -39.2208     365 -39.0943
     366 -38.7646     367 -38.0884     368 -38.0835     369 -37.9979     370 -38.2116
     371 -38.3025     372 -38.2261     373 -38.9395     374 -38.4778     375 -38.7670
     376 -39.0190     377 -38.9296     378 -38.8187     379 -38.4178     380 -38.1324
     381 -38.2157     382 -37.9881     383 -38.2671     384 -37.9638     385 -39.0801
     386 -38.7728     387 -39.0397     388 -39.0449     389 -38.9478     390 -38.6227
     391 -38.2671     392 -38.0667     393 -38.2116     394 -37.9889     395 -38.2409
     396 -38.2646     397 -38.9321     398 -38.3808     399 -38.6885     400 -38.9960
     401 -38.7325     402 -38.8583     403 -38.3483     404 -38.0906     405 -38.1858
     406 -37.8901     407 -38.1325     408 -37.8975     409 -38.9079     410 -38.8419
     411 -39.0625     412 -38.8417     413 -38.9583     414 -38.6447     415 -38.2257
     416 -38.3491     417 -38.0453     418 -38.2184     419 -38.2246     420 -38.2750
     421 -38.6635     422 -38.3796     423 -38.6000     424 -38.5598     425 -38.4954
     426 -38.7705     427 -38.2473     428 -38.0267     429 -38.4063     430 -38.1455
     431 -38.0890     432 -37.9391     433 -38.8141     434 -38.5337     435 -39.0255
     436 -38.7843     437 -39.0445     438 -38.6800     439 -38.3911     440 -37.9205
     441 -38.0077     442 -38.0588     443 -38.1740     444 -38.2081     445 -38.9605
     446 -38.8994     447 -38.9717     448 -38.8949     449 -38.8351     450 -38.4965
     451 -38.0653     452 -37.8505     453 -38.0014     454 -38.1936     455 -38.1668
     456 -38.4346     457 -39.0417     458 -38.7403     459 -39.0155     460 -39.1177
     461 -39.0445     462 -38.7756     463 -37.9885     464 -38.3328     465 -38.1962
     466 -38.4474     467 -38.1791     468 -38.2103     469 -39.0555     470 -38.9649
     471 -38.9673     472 -38.8085     473 -38.6662     474 -38.4012     475 -38.3772
     476 -38.1884     477 -38.4523     478 -37.9291     479 -38.2277     480 -37.8974
     481 -38.9148     482 -38.7211     483 -38.9303     484 -38.9129     485 -38.9610
     486 -38.7942     487 -38.2180     488 -38.1329     489 -37.9722     490 -38.1070
     491 -38.2061     492 -38.3547     493 -38.8028     494 -38.5195     495 -38.6825
     496 -38.4305     497 -38.3974     498 -38.4158     499 -38.1377     500 -37.9241
     501 -38.1266     502 -37.9522     503 -38.1243     504 -37.8424     505 -38.3735
     506 -41.1202     507 -71.6091     508 -71.6231     509 -71.5610     510 -71.7950
     511 -71.6623     512 -71.6957     513 -71.6455     514 -71.6327     515 -71.4416
     516 -71.4146     517 -71.3773     518 -70.8810     519 -71.6324     520 -71.5562
     521 -71.7724     522 -71.4256     523 -71.6802     524 -71.4760     525 -71.8382
     526 -71.4457     527 -71.5966     528 -71.4701     529 -71.1363     530 -71.0678
     531 -76.6775     532 -76.4656     533 -76.6386     534 -76.5494     535 -76.5605
     536 -76.7047     537 -76.5707     538 -76.6653     539 -76.6179     540 -76.2069
     541 -76.7531     542 -76.5872     543 -76.3808     544 -76.5876     545 -76.5242
     546 -76.6195     547 -76.7090     548 -76.6904     549 -76.6917     550 -76.5226
     551 -76.4823     552 -76.3878     553 -76.5619     554 -78.4335     555 -76.5833
     556 -76.5379     557 -76.6911     558 -76.6372     559 -76.5745     560 -76.8191
     561 -76.6166     562 -76.5943     563 -76.5569     564 -76.4390     565 -76.6352
     566 -76.7129     567 -76.7835     568 -76.7264     569 -76.4947     570 -77.1149
     571 -76.6745     572 -76.6412     573 -76.6787     574 -76.6136     575 -76.5037
     576 -76.3478     577 -76.5321     578 -77.0473     579 -82.8374     580 -82.1901
     581 -82.7049     582 -82.8500     583 -82.3946     584 -82.2197     585 -82.4489
     586 -82.5664     587 -83.0657     588 -82.5952     589 -82.5256     590 -82.3688
     591 -82.8230     592 -82.3044     593 -82.8535     594 -82.9985     595 -82.2491
     596 -82.9560     597 -82.3345     598 -82.3789     599 -82.8878     600 -81.9351
     601 -82.2161     602 -82.9355     603 -82.8220     604 -82.2836     605 -83.1620
     606 -82.8003     607 -82.8578     608 -82.2190     609 -82.4713     610 -82.3372
     611 -83.1071     612 -82.7074     613 -82.4746     614 -82.1176     615 -82.4022
     616 -83.0036     617 -82.7278     618 -82.5620     619 -82.4173     620 -83.1320
     621 -82.1824     622 -82.7715     623 -82.8589     624 -83.1562     625 -82.1922
     626 -82.3220     627 -82.3191     628 -82.4651     629 -82.4748     630 -82.4468
     631 -82.6908     632 -82.2379     633 -82.5306     634 -82.5057     635 -83.0233
     636 -82.6649     637 -82.1435     638 -82.4618     639 -81.9851     640 -82.6216
     641 -82.5991     642 -82.6550     643 -82.6994     644 -82.4960     645 -82.2942
     646 -82.5722     647 -82.8328     648 -82.6675     649 -82.1584     650 -82.1533
 
 
 
 E-fermi :  -1.2306     XC(G=0):  -6.3592     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.5419      2.00000
      2     -29.4966      2.00000
      3     -29.4290      2.00000
      4     -29.3960      2.00000
      5     -29.3624      2.00000
      6     -29.2875      2.00000
      7     -29.2696      2.00000
      8     -29.2679      2.00000
      9     -29.2513      2.00000
     10     -29.2102      2.00000
     11     -29.1970      2.00000
     12     -29.1285      2.00000
     13     -29.0853      2.00000
     14     -29.0447      2.00000
     15     -28.9513      2.00000
     16     -28.9345      2.00000
     17     -28.8528      2.00000
     18     -28.8439      2.00000
     19     -28.8135      2.00000
     20     -28.8088      2.00000
     21     -28.7824      2.00000
     22     -28.7229      2.00000
     23     -28.5666      2.00000
     24     -28.5586      2.00000
     25     -27.3279      2.00000
     26     -27.2880      2.00000
     27     -27.2417      2.00000
     28     -27.2092      2.00000
     29     -27.1470      2.00000
     30     -27.1309      2.00000
     31     -27.1092      2.00000
     32     -27.1051      2.00000
     33     -27.0924      2.00000
     34     -27.0507      2.00000
     35     -26.9739      2.00000
     36     -26.9690      2.00000
     37     -26.9402      2.00000
     38     -26.8718      2.00000
     39     -26.8172      2.00000
     40     -26.8038      2.00000
     41     -26.7943      2.00000
     42     -26.7886      2.00000
     43     -26.7828      2.00000
     44     -26.7706      2.00000
     45     -26.7365      2.00000
     46     -26.7359      2.00000
     47     -26.6577      2.00000
     48     -26.6532      2.00000
     49     -26.5392      2.00000
     50     -26.5168      2.00000
     51     -26.5132      2.00000
     52     -26.5009      2.00000
     53     -26.4993      2.00000
     54     -26.4942      2.00000
     55     -26.4607      2.00000
     56     -26.4585      2.00000
     57     -26.4341      2.00000
     58     -26.4308      2.00000
     59     -26.4037      2.00000
     60     -26.4013      2.00000
     61     -26.3539      2.00000
     62     -26.3041      2.00000
     63     -26.3002      2.00000
     64     -26.2927      2.00000
     65     -26.2918      2.00000
     66     -26.2794      2.00000
     67     -26.2769      2.00000
     68     -26.2756      2.00000
     69     -26.1906      2.00000
     70     -26.1556      2.00000
     71     -26.1226      2.00000
     72     -26.1134      2.00000
     73     -26.1088      2.00000
     74     -24.2130      2.00000
     75     -24.1001      2.00000
     76     -23.4094      2.00000
     77     -23.2685      2.00000
     78     -23.2592      2.00000
     79     -23.2494      2.00000
     80     -23.2393      2.00000
     81     -23.2326      2.00000
     82     -23.2310      2.00000
     83     -23.2219      2.00000
     84     -23.1683      2.00000
     85     -23.1654      2.00000
     86     -23.1560      2.00000
     87     -23.1441      2.00000
     88     -23.1418      2.00000
     89     -23.0601      2.00000
     90     -23.0159      2.00000
     91     -22.9875      2.00000
     92     -22.9831      2.00000
     93     -22.9726      2.00000
     94     -22.9626      2.00000
     95     -22.9467      2.00000
     96     -22.8119      2.00000
     97     -22.7739      2.00000
     98     -22.7632      2.00000
     99     -22.7543      2.00000
    100     -22.6926      2.00000
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   1244      -1.4335      2.05309
   1245      -1.4124      2.02575
   1246      -1.3941      1.98875
   1247      -1.3819      1.95609
   1248      -1.3644      1.89711
   1249      -1.3373      1.77588
   1250      -0.0252     -0.00000
   1251       0.0162     -0.00000
   1252       0.0279     -0.00000
   1253       0.1442     -0.00000
   1254       0.1982     -0.00000
   1255       0.2773     -0.00000
   1256       0.2841     -0.00000
   1257       0.3079     -0.00000
   1258       0.3227     -0.00000
   1259       0.3519     -0.00000
   1260       0.4755     -0.00000
   1261       0.5153     -0.00000
   1262       0.5657     -0.00000
   1263       0.6343     -0.00000
   1264       0.6474     -0.00000
   1265       0.6502     -0.00000
   1266       0.7078     -0.00000
   1267       0.7451     -0.00000
   1268       0.7694     -0.00000
   1269       0.7810     -0.00000
   1270       0.8013     -0.00000
   1271       0.8238     -0.00000
   1272       0.8307     -0.00000
   1273       0.8511     -0.00000
   1274       0.8825     -0.00000
   1275       0.9049     -0.00000
   1276       0.9231     -0.00000
   1277       0.9365     -0.00000
   1278       1.0020     -0.00000
   1279       1.0108     -0.00000
   1280       1.0653     -0.00000
   1281       1.0933     -0.00000
   1282       1.1477     -0.00000
   1283       1.1719     -0.00000
   1284       1.1788     -0.00000
   1285       1.2615     -0.00000
   1286       1.2689     -0.00000
   1287       1.2890     -0.00000
   1288       1.3551     -0.00000
   1289       1.3722     -0.00000
   1290       1.4300     -0.00000
   1291       1.4845     -0.00000
   1292       1.5483     -0.00000
   1293       1.5525     -0.00000
   1294       1.5978     -0.00000
   1295       1.6586     -0.00000
   1296       1.7213     -0.00000
   1297       1.7333     -0.00000
   1298       1.7781     -0.00000
   1299       1.8044     -0.00000
   1300       1.8825     -0.00000
   1301       1.9139     -0.00000
   1302       1.9308     -0.00000
   1303       1.9447     -0.00000
   1304       1.9887     -0.00000
   1305       1.9893     -0.00000
   1306       2.0560     -0.00000
   1307       2.0734     -0.00000
   1308       2.1150     -0.00000
   1309       2.1365     -0.00000
   1310       2.1703     -0.00000
   1311       2.2119     -0.00000
   1312       2.2322     -0.00000
   1313       2.2406     -0.00000
   1314       2.2634     -0.00000
   1315       2.2653     -0.00000
   1316       2.2845     -0.00000
   1317       2.3174     -0.00000
   1318       2.3337     -0.00000
   1319       2.3741     -0.00000
   1320       2.3959     -0.00000
   1321       2.4696     -0.00000
   1322       2.4882     -0.00000
   1323       2.5057     -0.00000
   1324       2.5214     -0.00000
   1325       2.5454     -0.00000
   1326       2.5755     -0.00000
   1327       2.6020     -0.00000
   1328       2.6069     -0.00000
   1329       2.6243     -0.00000
   1330       2.6359     -0.00000
   1331       2.6499     -0.00000
   1332       2.6562     -0.00000
   1333       2.6687     -0.00000
   1334       2.6857     -0.00000
   1335       2.7143     -0.00000
   1336       2.7287     -0.00000
   1337       2.7349     -0.00000
   1338       2.7694     -0.00000
   1339       2.8004     -0.00000
   1340       2.8182     -0.00000
   1341       2.8249     -0.00000
   1342       2.8510     -0.00000
   1343       2.8678     -0.00000
   1344       2.9499     -0.00000
   1345       3.0143     -0.00000
   1346       3.0389     -0.00000
   1347       3.0498     -0.00000
   1348       3.0623     -0.00000
   1349       3.0848     -0.00000
   1350       3.1087     -0.00000
   1351       3.1445     -0.00000
   1352       3.1788     -0.00000
   1353       3.1981     -0.00000
   1354       3.2119     -0.00000
   1355       3.2327     -0.00000
   1356       3.2372     -0.00000
   1357       3.2595     -0.00000
   1358       3.2723     -0.00000
   1359       3.2880     -0.00000
   1360       3.3505     -0.00000
   1361       3.3852     -0.00000
   1362       3.4247     -0.00000
   1363       3.4921     -0.00000
   1364       3.5941     -0.00000
   1365       3.6315     -0.00000
   1366       3.6891     -0.00000
   1367       3.7359     -0.00000
   1368       3.7712     -0.00000
   1369       3.7774     -0.00000
   1370       3.7911     -0.00000
   1371       3.8137     -0.00000
   1372       3.8245     -0.00000
   1373       3.8499     -0.00000
   1374       3.8754     -0.00000
   1375       3.8871     -0.00000
   1376       3.9039     -0.00000
   1377       3.9277     -0.00000
   1378       3.9642     -0.00000
   1379       3.9765     -0.00000
   1380       4.0168     -0.00000
   1381       4.0301     -0.00000
   1382       4.0396     -0.00000
   1383       4.0509     -0.00000
   1384       4.0676     -0.00000
   1385       4.0832     -0.00000
   1386       4.1006      0.00000
   1387       4.1181      0.00000
   1388       4.1271      0.00000
   1389       4.1425      0.00000
   1390       4.1571      0.00000
   1391       4.1752      0.00000
   1392       4.1928      0.00000
   1393       4.2048      0.00000
   1394       4.2108      0.00000
   1395       4.2240      0.00000
   1396       4.2447      0.00000
   1397       4.2557      0.00000
   1398       4.2587      0.00000
   1399       4.2732      0.00000
   1400       4.2851      0.00000
   1401       4.3012      0.00000
   1402       4.3138      0.00000
   1403       4.3242      0.00000
   1404       4.3512      0.00000
   1405       4.3632      0.00000
   1406       4.3793      0.00000
   1407       4.3863      0.00000
   1408       4.4002      0.00000
   1409       4.4123      0.00000
   1410       4.4323      0.00000
   1411       4.4357      0.00000
   1412       4.4424      0.00000
   1413       4.4671      0.00000
   1414       4.4738      0.00000
   1415       4.4901      0.00000
   1416       4.5029      0.00000
   1417       4.5254      0.00000
   1418       4.5402      0.00000
   1419       4.5518      0.00000
   1420       4.5718      0.00000
   1421       4.5840      0.00000
   1422       4.6124      0.00000
   1423       4.6175      0.00000
   1424       4.6439      0.00000
   1425       4.6497      0.00000
   1426       4.6635      0.00000
   1427       4.6781      0.00000
   1428       4.6910      0.00000
   1429       4.6933      0.00000
   1430       4.7045      0.00000
   1431       4.7204      0.00000
   1432       4.7294      0.00000
   1433       4.7475      0.00000
   1434       4.7841      0.00000
   1435       4.7937      0.00000
   1436       4.8118      0.00000
   1437       4.8571      0.00000
   1438       4.8585      0.00000
   1439       4.8718      0.00000
   1440       4.8835      0.00000
   1441       4.8966      0.00000
   1442       4.9176      0.00000
   1443       4.9291      0.00000
   1444       4.9427      0.00000
   1445       4.9649      0.00000
   1446       4.9860      0.00000
   1447       4.9904      0.00000
   1448       5.0032      0.00000
   1449       5.0239      0.00000
   1450       5.0350      0.00000
   1451       5.0512      0.00000
   1452       5.0635      0.00000
   1453       5.0786      0.00000
   1454       5.0811      0.00000
   1455       5.1111      0.00000
   1456       5.1359      0.00000
   1457       5.1521      0.00000
   1458       5.1529      0.00000
   1459       5.1663      0.00000
   1460       5.1762      0.00000
   1461       5.1894      0.00000
   1462       5.2086      0.00000
   1463       5.2132      0.00000
   1464       5.2351      0.00000
   1465       5.2408      0.00000
   1466       5.2705      0.00000
   1467       5.2785      0.00000
   1468       5.2873      0.00000
   1469       5.3134      0.00000
   1470       5.3322      0.00000
   1471       5.3368      0.00000
   1472       5.3534      0.00000
   1473       5.3737      0.00000
   1474       5.3767      0.00000
   1475       5.3887      0.00000
   1476       5.3945      0.00000
   1477       5.4157      0.00000
   1478       5.4248      0.00000
   1479       5.4396      0.00000
   1480       5.4428      0.00000
   1481       5.4485      0.00000
   1482       5.4682      0.00000
   1483       5.4884      0.00000
   1484       5.4950      0.00000
   1485       5.4992      0.00000
   1486       5.5055      0.00000
   1487       5.5197      0.00000
   1488       5.5265      0.00000
   1489       5.5362      0.00000
   1490       5.5456      0.00000
   1491       5.5612      0.00000
   1492       5.5813      0.00000
   1493       5.5864      0.00000
   1494       5.6005      0.00000
   1495       5.6106      0.00000
   1496       5.6204      0.00000
   1497       5.6449      0.00000
   1498       5.6474      0.00000
   1499       5.6540      0.00000
   1500       5.6756      0.00000
   1501       5.6796      0.00000
   1502       5.6894      0.00000
   1503       5.6947      0.00000
   1504       5.7122      0.00000
   1505       5.7156      0.00000
   1506       5.7253      0.00000
   1507       5.7399      0.00000
   1508       5.7461      0.00000
   1509       5.7558      0.00000
   1510       5.7610      0.00000
   1511       5.7717      0.00000
   1512       5.7773      0.00000
   1513       5.7881      0.00000
   1514       5.7911      0.00000
   1515       5.8114      0.00000
   1516       5.8158      0.00000
   1517       5.8249      0.00000
   1518       5.8393      0.00000
   1519       5.8560      0.00000
   1520       5.8639      0.00000
   1521       5.8657      0.00000
   1522       5.8750      0.00000
   1523       5.8794      0.00000
   1524       5.8892      0.00000
   1525       5.8976      0.00000
   1526       5.9131      0.00000
   1527       5.9181      0.00000
   1528       5.9271      0.00000
   1529       5.9493      0.00000
   1530       5.9514      0.00000
   1531       5.9575      0.00000
   1532       5.9748      0.00000
   1533       5.9803      0.00000
   1534       5.9909      0.00000
   1535       5.9975      0.00000
   1536       6.0033      0.00000
   1537       6.0158      0.00000
   1538       6.0215      0.00000
   1539       6.0265      0.00000
   1540       6.0407      0.00000
   1541       6.0442      0.00000
   1542       6.0632      0.00000
   1543       6.0714      0.00000
   1544       6.0729      0.00000
   1545       6.0808      0.00000
   1546       6.0887      0.00000
   1547       6.1010      0.00000
   1548       6.1196      0.00000
   1549       6.1273      0.00000
   1550       6.1369      0.00000
   1551       6.1423      0.00000
   1552       6.1486      0.00000
   1553       6.1647      0.00000
   1554       6.1694      0.00000
   1555       6.1758      0.00000
   1556       6.1792      0.00000
   1557       6.1895      0.00000
   1558       6.1953      0.00000
   1559       6.2082      0.00000
   1560       6.2235      0.00000
   1561       6.2275      0.00000
   1562       6.2306      0.00000
   1563       6.2389      0.00000
   1564       6.2529      0.00000
   1565       6.2609      0.00000
   1566       6.2675      0.00000
   1567       6.2768      0.00000
   1568       6.2800      0.00000
   1569       6.2822      0.00000
   1570       6.2948      0.00000
   1571       6.3042      0.00000
   1572       6.3299      0.00000
   1573       6.3365      0.00000
   1574       6.3495      0.00000
   1575       6.3540      0.00000
   1576       6.3738      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.085  13.408  -0.001   0.001   0.000   0.003  -0.005   0.000
 13.408  17.826  -0.001   0.002   0.000   0.004  -0.006   0.000
 -0.001  -0.001  -4.229   0.003  -0.000   8.269  -0.005   0.000
  0.001   0.002   0.003  -4.228   0.001  -0.005   8.268  -0.001
  0.000   0.000  -0.000   0.001  -4.221   0.000  -0.001   8.258
  0.003   0.004   8.269  -0.005   0.000 -18.300   0.008  -0.000
 -0.005  -0.006  -0.005   8.268  -0.001   0.008 -18.296   0.001
  0.000   0.000   0.000  -0.001   8.258  -0.000   0.001 -18.288
 total augmentation occupancy for first ion, spin component:           1
  8.693  -3.947   0.118   0.137  -0.012   0.013   0.027  -0.003
 -3.947   1.865  -0.056  -0.096   0.003  -0.005  -0.016   0.001
  0.118  -0.056   1.828  -0.055  -0.004   0.175  -0.011  -0.001
  0.137  -0.096  -0.055   1.919  -0.077  -0.011   0.180  -0.011
 -0.012   0.003  -0.004  -0.077   1.230  -0.001  -0.011   0.081
  0.013  -0.005   0.175  -0.011  -0.001   0.018  -0.002  -0.000
  0.027  -0.016  -0.011   0.180  -0.011  -0.002   0.019  -0.001
 -0.003   0.001  -0.001  -0.011   0.081  -0.000  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -57495.26094117812.56598 40309.50911-12643.94463  6585.04608 29033.69579
  Hartree -2173.41047144762.15009 78439.62865-13107.11802  4461.15181 23420.55269
  E(xc)  -10760.02136-10622.26197-10662.99857     2.91850     8.41728    29.37496
  Local   26287.04162************************ 25762.45704-11065.33214-51887.77567
  n-local -5889.45825 -6000.32150 -6073.21302     6.34745    17.65450   -55.19725
  augment  1488.02517  1537.93862  1483.37743     3.07468    12.80175    -3.08977
  Kinetic 45741.34382 43312.90449 43988.22794   -58.03734  -119.05315  -533.96445
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      106.1183179   -370.1487262    117.1948280    -34.3023146    -99.3138678      3.5962984
  in kB       17.6960789    -61.7252629     19.5431756     -5.7201855    -16.5613824      0.5997115
  external PRESSURE =      -8.1620028 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.310E+03 -.129E+03 0.256E+03   0.310E+03 0.130E+03 -.258E+03   0.285E+00 -.562E+00 0.174E+01   0.920E-04 0.588E-05 -.908E-04
   -.279E+03 -.154E+03 0.421E+02   0.279E+03 0.156E+03 -.421E+02   -.720E-01 -.132E+01 -.353E+00   0.602E-04 0.102E-04 -.919E-04
   -.235E+03 -.138E+03 -.436E+00   0.235E+03 0.139E+03 0.212E+01   0.187E+00 -.160E+01 -.185E+01   0.604E-04 0.135E-04 -.950E-04
   -.279E+03 -.115E+03 0.361E+03   0.279E+03 0.115E+03 -.364E+03   0.236E-01 0.120E+00 0.248E+01   0.139E-03 0.332E-05 -.901E-04
   -.232E+03 -.161E+03 0.321E+03   0.232E+03 0.162E+03 -.322E+03   0.215E+00 -.852E+00 0.100E+01   0.164E-03 0.770E-05 -.897E-04
   -.204E+03 -.133E+03 0.177E+03   0.204E+03 0.133E+03 -.177E+03   0.249E+00 0.117E+00 0.172E+00   0.112E-03 0.397E-05 -.767E-04
   -.338E+03 -.141E+03 0.183E+03   0.338E+03 0.145E+03 -.185E+03   0.100E+00 -.494E+01 0.486E+00   0.958E-04 0.899E-06 -.801E-04
   -.264E+03 -.119E+03 0.148E+01   0.264E+03 0.123E+03 -.158E+01   -.808E+00 -.440E+01 0.230E+01   0.507E-04 -.104E-04 -.950E-04
   -.143E+03 0.944E+01 0.210E+03   0.143E+03 -.976E+01 -.211E+03   0.206E+00 0.960E-01 0.162E+00   0.121E-03 0.498E-05 -.688E-04
   -.128E+03 0.933E+02 0.743E+02   0.128E+03 -.946E+02 -.732E+02   0.315E+00 0.148E+01 -.102E+01   0.618E-04 0.111E-04 -.582E-04
   -.142E+03 0.140E+03 0.142E+03   0.141E+03 -.142E+03 -.143E+03   0.366E+00 0.108E+01 0.377E-01   0.551E-04 -.400E-05 -.444E-04
   -.154E+03 0.801E+01 0.347E+03   0.154E+03 -.811E+01 -.348E+03   -.252E+00 0.537E+00 0.122E+01   0.205E-03 -.414E-05 -.106E-03
   -.155E+03 -.223E+02 0.383E+03   0.156E+03 0.231E+02 -.385E+03   -.331E+00 -.979E+00 0.243E+01   0.185E-03 0.130E-04 -.137E-03
   -.156E+03 0.531E+02 0.331E+03   0.156E+03 -.533E+02 -.333E+03   0.553E+00 -.291E+00 0.163E+01   0.866E-04 -.878E-05 -.923E-04
   -.180E+03 0.134E+03 0.296E+03   0.180E+03 -.137E+03 -.298E+03   0.573E+00 0.435E+01 0.209E+01   0.501E-04 -.768E-05 -.871E-04
   -.165E+03 0.153E+03 0.954E+02   0.165E+03 -.156E+03 -.968E+02   0.155E+00 0.328E+01 0.394E+01   0.330E-04 0.111E-04 -.190E-04
   -.160E+03 0.123E+03 0.482E+02   0.161E+03 -.118E+03 -.434E+02   -.428E+00 -.416E+01 -.413E+01   0.127E-06 0.129E-04 0.247E-04
   -.858E+02 0.219E+03 -.171E+03   0.854E+02 -.221E+03 0.173E+03   0.508E+00 0.156E+01 -.184E+01   0.256E-04 0.508E-05 0.110E-04
   -.487E+02 0.159E+03 -.211E+03   0.480E+02 -.159E+03 0.213E+03   0.106E+01 -.423E-01 -.225E+01   0.472E-04 -.103E-04 -.571E-05
   -.147E+03 0.130E+03 0.181E+03   0.148E+03 -.129E+03 -.184E+03   -.936E+00 -.548E+00 0.241E+01   -.215E-04 -.433E-05 0.742E-05
   -.854E+02 0.976E+02 0.129E+01   0.844E+02 -.996E+02 -.104E+00   0.966E+00 0.112E+01 -.820E+00   -.100E-04 0.131E-04 0.357E-04
   -.757E+02 0.357E+02 -.157E+03   0.761E+02 -.358E+02 0.158E+03   -.908E-01 0.452E+00 -.596E+00   0.309E-04 -.161E-05 -.836E-05
   -.900E+02 -.269E+02 -.212E+03   0.903E+02 0.270E+02 0.211E+03   -.140E+00 -.344E+00 0.106E+01   0.684E-04 -.434E-04 -.554E-04
   -.584E+02 -.784E+02 -.286E+03   0.594E+02 0.800E+02 0.285E+03   -.107E+01 -.169E+01 0.132E+01   0.117E-03 -.692E-04 -.681E-04
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 -----------------------------------------------------------------------------------------------
   -.353E+00 -.139E+02 0.216E+02   -.210E-10 -.506E-11 -.290E-11   0.357E+00 0.139E+02 -.216E+02   -.481E-02 -.958E-03 -.155E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.75124      3.15766      1.41201         0.422499      0.427487      0.265167
     12.59643      3.59287      2.72280         0.288364      0.621525     -0.329090
     12.58207      4.98131      3.02205         0.163418     -0.625543     -0.168591
     12.85038      4.06787      0.37241         0.204427      0.258857      0.085201
     12.86917      5.43135      0.68326         0.109885     -0.380426      0.054160
     12.75348      5.94047      1.99598         0.119073      0.394237     -0.020285
     12.79376      1.69963      1.40506         0.436976     -1.427634     -0.930287
     12.38816      2.37391      3.53917        -0.285867     -0.983046      2.213572
     12.84910      7.45417      2.22623         0.223832     -0.226855     -0.130425
     12.77072      8.07275      3.49537         0.262293      0.124366      0.101265
     13.05298      9.44524      3.66423         0.105504     -0.574617     -0.655798
     13.13846      8.32493      1.14404         0.021937      0.437279      0.295021
     13.32829      9.70923      1.28677        -0.037333     -0.178218      0.256494
     13.28318     10.26052      2.56919         0.515002     -0.518911     -0.240613
     13.54003     11.63096      3.05241         0.086219      1.001946     -0.695102
     13.17854     10.28732      4.85939        -0.080383      0.319507      2.613010
     13.57829     12.77258      5.30375         0.340533      1.390944      0.662182
     13.23656     12.72034      6.65517         0.104776     -0.085928      0.133250
     13.28178     13.84935      7.45878         0.393703     -0.425171      0.182565
     13.88109     14.09518      4.87194         0.270347      0.293683     -0.561669
     13.91697     15.25255      5.68988        -0.070625     -0.880091      0.365282
     13.64026     15.14837      7.08976         0.290035      0.336090     -0.017017
     13.69138     16.27197      8.10647         0.108819     -0.242591      0.341465
     13.19715     16.19753      9.45133        -0.089236     -0.076754      0.259066
     13.35683     17.27355     10.33027        -0.083145     -0.030337      0.373424
     14.24203     17.53719      7.81651         0.170616     -0.152951      0.052199
     14.33519     18.62504      8.66112         0.051299     -0.211935      0.149817
     13.91929     18.49344      9.96751         0.050819     -0.150317      0.023503
     12.48598     14.99459     10.05906         0.919406      0.158061     -0.953312
     14.35491     16.55023      5.05406         0.888809     -1.485742      0.929071
      9.69136      3.83440      4.80747        -0.032596      0.310398      0.256696
      9.88346      4.77327      3.81503        -0.291444      0.383717      0.326852
     10.01464      6.13269      4.14538        -0.101268     -0.166096     -0.118488
      9.59656      4.21121      6.13246         0.154685      0.212183     -0.101135
      9.69490      5.55955      6.46070         0.081712     -0.159653     -0.132838
      9.93831      6.56235      5.49195        -0.100773     -0.088301     -0.105205
      9.58987      2.49022      4.23388         0.251390      1.831053     -1.071340
      9.92859      4.03822      2.53367        -0.047094      0.168895     -1.508700
     10.06751      8.00424      5.88308        -0.103746     -0.232034      0.110305
     10.32551      8.99421      4.92049        -0.026390     -0.095397     -0.327870
     10.39171     10.32874      5.26743        -0.438980      0.124612      0.512895
      9.91315      8.43626      7.21828        -0.024633      0.556022      0.037825
     10.03138      9.79021      7.58974        -0.065504     -0.118234     -0.323246
     10.26813     10.73078      6.58862        -0.276567     -0.550736      0.181815
     10.42348     12.18770      6.64144        -0.232857      0.281821      0.795661
     10.64684     11.53870      4.48628         1.133852      0.976851     -3.766291
     10.97071     14.04001      4.98325        -0.075852      0.178806     -0.315947
     11.44158     14.38724      3.70590        -0.375557      0.120661      0.313237
     11.74528     15.71300      3.42608         0.020586     -0.061890      0.273143
     10.92332     15.11302      5.89687        -0.264481      0.041842      0.503279
     11.17303     16.46528      5.58125        -0.132228      0.256311     -0.121495
     11.59695     16.83753      4.25007        -0.157400      0.360731      0.538798
     12.02006     18.24305      3.78635        -0.103162     -0.339066     -0.403489
     12.49010     18.58641      2.48015         0.361627      0.054287     -0.121573
     12.63190     19.96628      2.16552        -0.086817     -0.053913     -0.462699
     11.88543     19.36176      4.62741         0.162063     -0.277976      0.093596
     12.04357     20.70281      4.35215         0.308505     -0.016740     -0.175955
     12.42232     21.05916      3.05571         0.120360     -0.075131      0.310898
     12.77233     17.53937      1.27174        -0.661833      1.265139      1.276795
     10.90460     17.47168      6.74479         0.573763      0.082287     -1.505962
     10.07423      7.16104     14.58815         0.343641      0.747956      0.360028
      9.96647      7.59612     15.90404         0.196126      1.109085     -0.414444
      9.95662      8.99385     16.19481         0.403888     -1.226672      0.018300
     10.15029      8.08903     13.54455         0.061272     -0.272556      0.188203
     10.17728      9.44496     13.85541         0.263777      0.063357      0.665407
     10.11279      9.95840     15.18518         0.281403      0.364334     -0.229034
      9.97004      5.72559     14.61498         0.553777     -4.708085     -3.732262
      9.68866      6.39326     16.72602        -0.042564     -0.426666      2.495934
     10.20933     11.46897     15.48150         0.228458     -0.107890     -0.054900
     10.14142     12.03487     16.78636         0.222082      0.220775     -0.027282
     10.32501     13.42544     17.00822         0.183446     -0.570925     -0.512940
     10.44734     12.39718     14.43056         0.099428      0.250897      0.333649
     10.59878     13.77761     14.63616         0.025468     -0.273773      0.111085
     10.52077     14.27931     15.93515         0.422357     -0.489126     -0.123766
     10.64867     15.65924     16.43954         0.100515      0.383342     -0.719999
     10.29581     14.27558     18.23290         0.030347     -0.097105      1.498702
     10.47627     16.82548     18.67119         0.187798      0.878680      0.482779
     10.13850     16.78222     20.02620         0.142039     -0.101254     -0.277307
      9.99787     17.95390     20.75635         0.094971     -0.168739      0.108168
     10.67395     18.16742     18.22885         0.535603      0.492432     -0.443322
     10.64121     19.35339     19.01683         0.483526     -0.347750     -0.001675
     10.28475     19.28278     20.40526         0.146679      0.407169      0.036631
     10.19542     20.44614      0.16704        -0.094460     -0.588878     -0.483823
      9.74415     20.34581      1.52437         0.191412      0.559443     -0.111486
      9.69419      0.21604      2.34789        -0.329012     -0.115598      0.703887
     10.53155      0.51465     21.10917        -0.049120      0.201610      0.164232
     10.28889      1.66662      0.60383         0.000177     -0.332729     -0.281099
      9.88103      1.56142      1.92433        -0.275709     -1.008840     -0.312076
      9.40198     19.06150      2.21843        -1.070776      0.180791     -0.976192
     10.99075     20.70575     18.34753         0.535350     -1.832889      1.272058
      7.06929      7.61028     17.53779         0.035659      0.402639     -0.012938
      7.25569      8.55722     16.54785        -0.593795      0.351653      0.407646
      7.42921      9.91952     16.87318        -0.315621     -0.343916     -0.102384
      7.06549      7.98571     18.87397         0.116311      0.312972      0.007035
      7.12162      9.34697     19.18519         0.004035     -0.133155     -0.231976
      7.30907     10.36321     18.20554        -0.098049      0.141617      0.098285
      6.91901      6.28727     16.91064        -0.031960     -0.467320      0.298911
      7.23011      7.82490     15.26105         0.801758      0.955206     -2.848766
      7.34169     11.83462     18.59801        -0.133639     -0.207516     -0.036269
      7.57686     12.90079     17.69611        -0.184769      0.217717     -0.064384
      7.53481     14.23971     18.11992        -0.438573     -0.491281      0.100874
      7.08140     12.21617     19.92678         0.052049      0.320230     -0.166431
      7.05812     13.54909     20.34964         0.132645     -0.080618     -0.145632
      7.27976     14.56535     19.44031        -0.181806     -0.468918      0.067771
      7.32898     16.02100     19.60679        -0.280734      1.193418      0.563560
      7.77787     15.50833     17.43594         0.776626      1.551328     -3.373289
      7.80117     18.01377     18.06931        -0.174098      0.067522     -0.073792
      8.41755     18.42572     16.88795        -0.287707      0.426064     -0.029900
      8.69152     19.77159     16.67206        -0.107963     -0.025306      0.451764
      7.52498     19.06313     18.98259        -0.433780      0.236124      0.135694
      7.66159     20.44113     18.66727        -0.392210      0.086120      0.126302
      8.24551     20.87566     17.42427        -0.419341      0.251933      0.333294
      8.58303      1.07219     17.00660         0.202026     -0.394786     -0.085213
      8.99988      1.39338     15.69437         0.242249     -0.288184     -0.000999
      9.32493      2.76034     15.36722         0.274323     -0.281341     -0.108963
      8.62140      2.18723     17.89158         0.153546     -0.134888     -0.355114
      8.94202      3.50313     17.59303         0.126765     -0.052996     -0.202300
      9.32784      3.85585     16.29079         0.263082     -0.834967     -0.394799
      9.18689      0.25053     14.56437         1.860484      4.130076      0.015794
      7.18803      0.18741     19.76359         0.784045     -0.086760     -1.494677
      7.02499     10.84848      6.12136        -0.096809      0.176421      0.013814
      6.83905     11.32691      7.40897        -0.007477      0.376587     -0.120586
      6.96322     12.69375      7.71101        -0.093029     -0.350796     -0.104299
      7.36993     11.71033      5.09362        -0.116051      0.233296      0.167703
      7.50005     13.07070      5.39755        -0.179583     -0.204927      0.134043
      7.28708     13.61810      6.68862        -0.072664      0.162322      0.011659
      6.87435      9.38399      6.12380        -0.227217     -0.131755      0.985458
      6.56498     10.14797      8.26654        -0.086258     -0.838282      0.696160
      7.39595     15.11425      6.92371        -0.113406     -0.048016     -0.021525
      7.12336     15.74611      8.16153         0.036380      0.399325      0.043217
      7.25155     17.14962      8.29034        -0.105581     -0.466830     -0.337814
      7.76822     15.97781      5.86518        -0.253354      0.276367      0.165179
      7.83090     17.36691      5.97830        -0.321641     -0.226386     -0.003975
      7.58605     17.95267      7.21241        -0.274130     -0.233901     -0.010148
      7.72212     19.35688      7.66762        -0.148525      0.259639      0.601311
      7.12823     18.04139      9.46257         0.200130      0.511045      0.464579
      7.45769     20.56912      9.88535         0.191805      0.512801      0.520977
      7.01790     20.54519     11.21024         0.101019      0.047061      0.115234
      6.87469      0.43732     11.96072        -0.275321      0.236057      0.203602
      7.81356      0.62393      9.49148         0.553247      0.253953     -0.180153
      7.84367      1.76422     10.35768         0.251977     -0.139174      0.188827
      7.34449      1.73887     11.70032         0.545606      0.274620     -0.027255
      7.33110      2.90469     12.76596         0.237037     -0.309360     -0.621301
      6.85358      2.88201     14.10756         0.792390      1.712719     -0.195185
      6.80274      4.00302     14.94527        -0.045352      0.424825      0.753816
      7.78875      4.20521     12.51636        -0.032460     -0.184725     -0.596766
      7.60561      5.36244     13.27853         0.689043      0.283272      0.273694
      7.13749      5.34029     14.58145        -0.347174     -1.109523     -0.235748
      6.25169      1.74603     14.70144         0.307140     -3.382793      0.411401
      8.42014      3.03893      9.77742         0.125490     -0.997152      1.658462
      4.02463     11.50345     10.77244         0.032497      0.264804     -0.058692
      3.75054     12.38981      9.73805         0.111896      0.245554      0.265683
      3.82316     13.77522      9.93795        -0.016525     -0.418766     -0.160579
      4.36687     11.97606     12.03086        -0.015165      0.299600     -0.093782
      4.41971     13.36269     12.23189         0.021080     -0.414403     -0.173179
      4.16543     14.29932     11.20592         0.013820     -0.016335     -0.067921
      3.86567     10.13058     10.27408         0.068643     -0.797628      0.119628
      3.39064     11.57569      8.54699        -0.084738     -0.167705     -0.508795
      4.26833     15.77276     11.44949         0.081413      0.583125     -0.054156
      4.11063     16.72488     10.40156        -0.066117     -0.479352     -0.534062
      4.19905     18.09225     10.63926        -0.061394      0.433705      0.109996
      4.57724     16.30427     12.73210         0.072545     -0.171590     -0.188345
      4.74050     17.67377     12.95242        -0.016107     -0.372389     -0.397513
      4.49830     18.54521     11.90456        -0.094572      0.416730      0.804578
      4.50955     20.06247     12.01551        -1.981889    -15.836795    -22.762005
      4.23769     19.28277      9.73069         0.130626      1.222897      0.332500
      4.60522      0.61192     10.13392        -0.367982     -0.391269     -0.497847
      4.90176      0.93817      8.79997        -0.183061      0.258675      0.453936
      5.22050      2.25716      8.46445        -0.010641     -0.255678      0.222936
      4.58671      1.74746     10.98257        -0.307440      0.224315      0.586419
      4.84726      3.10528     10.62270        -0.149920      0.015254     -0.184311
      5.31622      3.39898      9.28502        -0.383487      0.462021      0.452272
      5.83613      4.79776      8.73728         0.337616      0.024972     -0.686527
      6.25553      5.10110      7.38575         0.368043     -0.230746      0.313725
      6.52408      6.44733      7.03603         0.216965      0.064961     -0.249075
      5.84403      5.97193      9.51503        -0.299006     -0.374720      0.471947
      6.09221      7.29329      9.19059        -0.009721     -0.420864      0.108768
      6.41521      7.58571      7.88131         0.292143      0.003509     -0.480622
      6.36112      3.99695      6.26129        -0.602411      0.368345      1.222089
      4.67869      4.13996     11.79550         0.380500      0.156069     -2.109499
      1.31054     14.34998      0.67848        -0.270074      0.425442      0.934077
      1.82624     14.75522      1.90394        -0.295636      0.800008      0.121587
      1.73230     16.14974      2.25059        -0.018251     -0.907725     -0.131411
      0.79630     15.24855     21.02556        -0.422392      0.571195     -0.306967
      0.80174     16.60350      0.06498         0.168939     -0.562893      0.410466
      1.21385     17.10871      1.31861        -0.221415      0.115907      0.327507
      1.37830     12.91835      0.60348        -1.231499     -2.206090     -1.515346
      2.43054     13.48091      2.53285         0.003488      0.620957      0.818374
      1.06942     18.61851      1.53402        -0.170788     -0.153231      0.159684
      1.41500     19.29189      2.73305        -0.203620      0.384173      0.003477
      1.25626     20.69234      2.82407        -0.207594     -0.750804     -0.301131
      0.55672     19.44507      0.48745         0.019765      0.028707      0.411782
      0.38987     20.82517      0.58705        -0.031667     -0.402405     -0.030361
      0.73961      0.17373      1.76997        -0.095568     -0.321660      0.136725
      0.77053      1.59580      2.09935         0.068903      0.411234      0.556337
      1.63306      0.39180      3.88226         0.111861      0.193514      0.507944
      1.51673      2.92581      4.07913        -0.140571      0.833157      0.306507
      2.06036      2.91973      5.34468        -0.056130     -0.100491     -0.015219
      2.21914      4.10808      6.00813        -0.045065     -0.154380      0.571567
      1.15221      4.22559      3.62957        -0.448350      0.259424     -0.487646
      1.34282      5.43670      4.33613         0.122499     -0.543205      0.382363
      1.96598      5.43321      5.62254        -0.269028      0.549622      0.151192
      2.30612      6.66273      6.50907        -0.538246      0.178280     -0.689646
      2.88327      6.57975      7.78258        -0.636600      1.626272     -0.643818
      3.30804      7.72080      8.50434        -0.149559      0.160148      0.754680
      2.17117      8.03256      6.12667        -0.081100     -0.241711     -0.517062
      2.60272      9.16798      6.80833        -0.079448     -0.566777     -0.093526
      3.17284      9.06927      8.08498        -0.313132     -0.956566     -0.171820
      3.09157      5.28531      8.38195        -0.857833     -0.185798      2.079898
      0.81181      6.71714      3.71512        -0.472360     -1.839537      1.418446
      4.63102     14.05522      0.74221         0.135831      0.297082     -0.245451
      3.93943     14.97062     -0.04108         0.382933      0.558782     -0.004657
      3.94979     16.36391      0.33141         0.161001     -0.780462     -0.360550
      5.39300     14.50093      1.82111        -0.033614      0.381954     -0.016388
      5.41911     15.86508      2.14891        -0.200019     -0.322850     -0.391525
      4.68731     16.85697      1.44550         0.073385      0.440107      0.024782
      4.48372     12.69901      0.16382         0.344731     -0.967625      0.262530
      3.33286     14.13407     20.08196        -1.218904      1.096227     -1.166402
      4.75847     18.36889      1.90209         0.005263     -0.454862     -0.272466
      4.07416     19.44936      1.27566         0.230947      0.512813      0.190574
      4.21213     20.79113      1.74305         0.093482     -0.625452     -0.128982
      5.58259     18.74564      2.99807        -0.207280      0.261691     -0.150979
      5.72842     20.06319      3.45894        -0.090891     -0.421815     -0.116554
      5.01900     21.07303      2.83125         0.102304     -0.125430     -0.084453
      5.01346      1.26951      3.09789        -0.604997      0.011817     -0.850874
      3.64964      0.85319      1.29697        -0.291669      0.491235     -0.630851
      3.83127      3.32499      2.13651         0.070513      0.404673     -0.045059
      2.95990      3.91680      1.21442         0.531808     -0.028950     -0.162274
      2.71221      5.28616      1.19704         0.314845     -0.152263      0.356109
      4.28252      4.28359      3.07575         0.446258      0.291421      0.088696
      4.08217      5.70277      2.98246        -0.161195     -0.337306     -0.236172
      3.35723      6.33468      1.95318        -0.024325      0.076295     -0.103819
      3.21967      7.97298      1.80016        -0.588134      0.234395      0.234270
      2.28003      8.61510      0.94299        -0.403748     -0.164628      0.025695
      2.05662      9.98927      0.79370        -0.471151     -0.068970     -0.015206
      3.69517      8.99858      2.65786         0.125762     -0.143643      0.499303
      3.34360     10.36090      2.69131        -0.205634     -0.740100     -0.816365
      2.54059     10.94586      1.71558        -0.359617      0.408167     -0.087153
      1.64373      7.67123     21.23785         1.072941     -0.736616      1.490778
      4.70481      6.54452      4.06457         0.072879     -0.759811     -1.918279
     18.32007     17.31148     13.32912        -0.296946      0.614352      0.310716
     19.35973     17.81208     14.10708        -0.736627      0.241296     -0.049540
     19.54235     19.18852     14.25881         0.290921     -0.059426      0.236789
     17.43630     18.19264     12.69209         0.315050     -0.129367      0.421361
     17.62599     19.56953     12.87710         0.007003     -0.433300      0.078522
     18.67234     20.11177     13.66039        -0.226514      0.224008     -0.096523
     18.36809     15.83863     13.40493        -1.542023     -0.611369     -0.350998
     20.10275     16.66039     14.61902         2.600943     -0.815454      2.043358
     18.80948      0.34335     13.86792        -0.069267      0.007874      0.128557
     19.85643      0.92639     14.62236        -0.079098      0.230065      0.269197
     19.82792      2.29746     14.93237        -0.372752     -0.128352     -0.137196
     17.80927      1.23289     13.41216         0.072930      0.334542      0.048024
     17.80094      2.60732     13.68245         0.208733      0.099781      0.133566
     18.83370      3.14006     14.45183        -0.367235     -0.437522      0.069584
     19.02936      4.50652     14.99728         0.637123     -0.238913      0.439932
     20.64186      3.11434     15.84357         1.946163      0.471675      2.104026
     20.75256      5.60701     16.56312        -0.156419      0.269641      0.153618
      0.79274      5.57500     17.10147         0.004934     -0.036782     -0.047801
      1.43307      6.75828     17.43360         1.474191      0.127072     -0.516086
     20.22527      6.92031     16.52975        -0.227174      0.298870      0.489472
     20.83046      8.06943     17.17559        -1.247695     -0.292300     -0.259821
      0.88406      8.04313     17.66545         0.281737      0.292763      0.703150
      1.69206      9.20540     18.36152         0.793718      0.183855     -0.223882
      3.02570      9.12605     18.97158        -0.558808      0.260552     -0.175487
      3.62329     10.25991     19.60203        -0.572647     -0.253645     -0.156844
      1.17058     10.48016     18.59639        -0.983182     -1.516385     -0.618316
      1.80551     11.61723     19.04453         0.400341      0.745459      0.226938
      3.06318     11.59288     19.60008         0.792634     -0.785586      0.153062
      3.82672      7.81844     18.95210         0.728581      1.722084     -0.376046
     19.93245      9.29287     17.29426        -0.209460     -0.172846      0.158909
      2.02188     18.12500     14.14458         0.314085      0.592622     -0.358218
      1.27013     19.08243     13.47715         0.434254      0.471628      0.669211
      1.42746     20.43306     13.79582        -0.304438      0.235962     -0.224947
      3.05985     18.52701     14.99601        -0.511307      0.313525     -0.154067
      3.30520     19.89903     15.18052        -0.647833     -0.502270      0.074833
      2.43733     20.89861     14.65867         0.033063     -0.097834      0.345820
      1.65071     16.81271     13.59943         0.940306     -0.931783      1.023024
      0.36619     18.40828     12.53651        -0.956421      0.212432     -1.334459
      2.60421      1.10136     14.97249         0.105061      0.144310      0.273866
      1.84169      2.09854     14.33953        -0.703244     -0.165015     -0.219029
      2.07358      3.45566     14.56012         0.667423     -0.542563      0.429560
      3.59853      1.56198     15.87348        -0.484920      0.063520      0.029529
      3.84636      2.92186     16.11984        -0.354889      0.094793     -0.148212
      3.06620      3.85335     15.44132         0.217786     -0.644372     -0.032983
      3.10074      5.32263     15.51246        -3.509403     -3.500907     -3.507659
      1.36771      4.65425     14.16515        -3.056035      1.832106     -2.042828
      1.50105      7.19405     14.73837        -0.094875      0.345010     -0.614048
      0.23014      7.51783     14.20861         0.954207      0.159684     -0.036016
     21.04400      8.83832     14.20388         0.087407      0.118816      0.117462
      2.13396      8.32612     15.34030         0.578640      0.006586      0.073031
      1.66558      9.66615     15.31979         0.094606      0.076171     -0.543678
      0.41134      9.99352     14.69862         0.205960      0.227478     -0.003300
     20.95246     11.35990     14.66911         0.033581     -0.276879     -0.131372
     19.63764     11.59925     14.13797        -0.194340      0.110302      0.277075
     19.21313     12.93944     14.00762        -0.704644      0.167607     -0.379848
      0.33929     12.55493     15.05966        -0.081957     -0.359963     -0.067705
     -0.09856     13.86272     15.00980        -0.615320     -0.077830     -0.034606
     19.90998     14.10651     14.42354         0.210479     -0.348475      0.416548
     18.62864     10.51304     13.54806         1.298738      0.608407      0.087571
      2.55949     10.73139     15.96517        -1.172816     -0.004771     -0.777752
     16.16088      0.41917      5.13488        -0.217616      0.338489      0.194027
     16.99196      0.91216      6.12623        -0.213963      0.319245      0.161939
     17.06744      2.29204      6.41007        -0.138324     -0.463830      0.148113
     15.29191      1.27829      4.48651         0.108007      0.102999      0.140295
     15.34376      2.64315      4.79134         0.120329     -0.308547      0.089608
     16.24526      3.21219      5.71551        -0.039240      0.029923      0.148322
     16.40861     20.23895      4.95812        -0.101648     -0.741451     -0.299075
     17.69861     20.99483      6.68793         1.131352     -0.412883      1.390549
     16.28268      4.70897      5.96313        -0.024521     -0.027817      0.058295
     17.16575      5.31905      6.88627        -0.055265      0.294187      0.197221
     17.12994      6.70903      7.11030        -0.278144     -0.367127     -0.166705
     15.39724      5.58978      5.29475         0.170600      0.293824      0.189931
     15.36754      6.97544      5.50614         0.168243     -0.290667     -0.007052
     16.25416      7.53190      6.41579         0.058449     -0.194966     -0.002940
     16.44542      8.93066      6.85836         0.348702      0.123020      0.426140
     17.82576      7.56079      8.10961        -0.321709      0.457317      0.020370
     17.89566     10.08675      8.58374         0.044847      0.609426      0.398321
     18.90905      9.99470      9.52902        -0.055246     -0.117403     -0.004665
     19.45492     11.11711     10.11838        -0.086313      0.082698      0.034865
     17.48068     11.43127      8.36835        -0.465036      0.246219     -0.014749
     17.96443     12.55945      9.08105        -0.113259      0.033340     -0.023262
     19.03571     12.45312     10.04803        -0.271666      0.338737     -0.017626
     19.73725     13.58086     10.84795        -0.126506     -0.118339     -0.307742
     20.96655     13.49541     11.60685        -0.665157      0.731401     -0.408677
      0.32770     14.61996     12.13449         0.506282     -0.236322      0.512238
     19.27058     14.90954     10.84235         0.286225      0.161790      0.026258
     19.92493     16.05362     11.34825         0.282303     -0.116143      0.033818
     21.15035     15.95910     12.01904        -0.055407     -1.337797     -0.446702
      0.43737     12.22969     11.85887        -0.100676      0.291018     -0.319027
     17.29745     13.89961      8.72617         0.009927     -1.286427      1.381506
     20.27299      1.26848      6.17466         0.066303      0.224089     -0.181626
     19.72086      2.32817      5.45273         0.223321     -0.129546     -0.155464
     19.81160      3.63406      5.89330         0.009914     -0.003300     -0.287819
     20.83479      1.49969      7.42158         0.012479      0.363267     -0.219373
     20.92589      2.82259      7.86388        -0.087213     -0.258370     -0.237405
     20.45549      3.92392      7.11040         0.000509     -0.140596      0.023315
     20.03547      0.02583      5.40788         0.274752     -0.806428      0.129936
     19.00256      1.75728      4.27005         0.375272     -0.119841      0.037883
     20.63028      5.32837      7.53719        -0.166640      0.860442      0.032436
     20.23199      6.38268      6.67772        -0.545341     -0.226210     -0.398196
     20.46758      7.70649      7.02381        -0.197125      0.365885     -0.212831
     -0.05814      5.71635      8.76977        -0.190289      0.248195      0.161572
      0.21529      7.05410      9.10493        -0.258055     -0.582329     -0.212610
     21.11087      8.03572      8.19914         0.126429     -0.540651      0.210158
      0.00433      9.48740      8.33099        -4.494969     -4.263209     -7.218735
     20.06283      8.98443      6.34737         0.346835      0.453254      0.778732
     20.30263     11.48014      6.96799         0.096439      0.018040     -0.321259
     19.47558     11.89489      5.91368         0.472447      0.262104      0.254372
     19.19722     13.24226      5.71992        -0.036959     -0.345523     -0.133401
     20.81740     12.56405      7.72811         0.586367      0.426113      0.347114
     20.58995     13.94364      7.45771         0.050657      0.050882     -0.218393
     19.67882     14.35578      6.41897         0.398565      0.437325      0.328276
     19.15514     15.78501      6.15701        -0.092462     -0.197430     -0.455246
     18.25920     16.17744      5.11202         0.085287      0.186389     -0.342655
     17.77773     17.49769      5.00976        -0.215847      0.119894     -0.547925
     19.42569     16.89857      6.98060         0.274453     -0.164663      0.007335
     18.91650     18.18153      6.93574         0.093917     -0.020146     -0.074749
     18.01311     18.53228      5.93912         0.153700     -0.220465      0.002176
     17.74537     15.22280      4.03586         0.727779     -0.182589      0.775415
      0.07913     14.99130      8.31354        -0.672249     -0.651646     -1.381131
     12.32601      5.29189      4.01715         0.313240      0.124082      0.616204
     12.91463      3.73772     20.59870         0.091539     -0.063992     -0.153705
     13.00135      6.10167     21.11207        -0.054560      0.345769     -0.354953
     12.46259      7.49125      4.34960         0.181927     -0.262564      0.457843
     13.24914      7.93475      0.14793        -0.007154     -0.203511     -0.435208
     13.55108     10.32398      0.41808        -0.017987      0.094757     -0.086686
     13.04448     13.59437      8.47082         0.099118      0.080465     -0.221259
     12.81125     11.84703      7.13844         0.499151     -0.308423     -0.160138
     13.98030     14.27586      3.80390         0.448905     -0.207186      0.095322
     13.01677     17.13405     11.35065        -0.128101      0.055670      0.187941
     14.49454     17.82146      6.82871         0.577955     -0.240971      0.162502
     14.69037     19.55594      8.22112         0.131027      0.157110      0.242402
     10.21988      6.84025      3.35567        -0.139356      0.226557     -0.316644
      9.38078      3.46171      6.86931         0.260631     -0.028471      0.102331
      9.53740      5.82043      7.49726         0.112963      0.152202      0.320110
     10.58805      8.70346      3.91891        -0.437726      0.025196     -0.529943
      9.64342      7.73821      8.00046         0.069108     -0.243800      0.156817
      9.89178     10.09464      8.62497         0.059266      0.026493      0.113216
     12.29864     15.77436      2.52527         0.059670      0.156477     -0.327098
     11.74713     13.67587      2.94444        -0.377999     -0.192084      0.114243
     10.78532     14.87706      6.94622        -0.429289     -0.020583     -0.056318
     12.66676     20.20878      1.11395         0.719091      0.060140     -0.175875
     11.70528     19.22830      5.66093        -0.266863     -0.141417      0.199535
     11.82247      0.13029      5.17385         0.227909      0.132874     -0.399146
      9.74907      9.29638     17.19973         0.266455      0.131258      0.757348
     10.11118      7.77087     12.50713         0.184086     -0.091025     -0.138819
     10.27398     10.12394     13.03416        -0.059590      0.485942     -0.551760
      9.85574     11.41099     17.61778         0.237537     -0.273984      0.460341
     10.55430     12.04823     13.41530        -0.011877     -0.160605     -0.369558
     10.81417     14.43482     13.79825        -0.071203      0.110134     -0.136449
      9.76025     17.68663      0.49317        -0.507025      0.164318     -0.128819
      9.96541     15.86791     20.59141         0.031963     -0.113156     -0.349992
     10.76653     18.33975     17.16678         0.646349     -0.145426     -0.130252
      9.64685      0.01127      3.41912        -0.581571      0.229218     -0.307516
     10.95303      0.78585     20.16702         0.360362     -0.163335      0.362794
     10.54416      2.59834      0.11617        -0.190657      0.278670      0.161919
      7.76358     10.59514     16.10723        -0.351335      0.431778     -0.516571
      6.91809      7.24530     19.65081         0.170318     -0.096944      0.124332
      6.94853      9.61048     20.21991         0.203775      0.112386      0.294603
      7.88630     12.68004     16.69102        -0.334915      0.040169     -0.601099
      6.80265     11.48494     20.66286         0.115582     -0.379360      0.303206
      6.80464     13.79353      0.10521         0.283749     -0.008583      0.390015
      9.52077     19.86281     16.00393        -0.288702      0.235242     -0.382012
      8.88611     17.76167     16.17151        -0.294724     -0.325482      0.082406
      7.23715     18.82473     19.99992        -0.313336     -0.142247     -0.016641
      9.46130      3.01304     14.32182         0.508618     -0.160947     -0.023650
      8.54402      2.06144     18.94537        -0.459703     -0.267275      0.441578
      8.83188      4.21742     18.40177         0.317689      0.155068     -0.048419
      6.81090     13.02464      8.72700        -0.040504      0.090697      0.400126
      7.54721     11.33616      4.09009         0.010188     -0.013251     -0.207662
      7.79226     13.70634      4.58085         0.077156      0.401760     -0.334851
      6.81467     15.15858      9.01511        -0.025496     -0.114752      0.361896
      8.04875     15.57923      4.90793         0.067218     -0.306352     -0.466048
      8.17735     17.96795      5.14947        -0.211067      0.035839     -0.269335
      6.20200      0.26919     12.77911         0.598576      0.193693     -0.087850
      6.61486     19.65565     11.67615         0.328530     -0.374936     -0.167987
      8.10526      0.79643      8.46405         0.149370     -0.052378     -0.134602
      6.61991      3.77164     15.99278        -0.327365      0.333015     -0.194435
      8.07545      4.47240     11.52285         0.608818     -0.025013      0.430012
      7.94167      6.24887     12.77114        -0.084102      0.617665      0.081811
      3.59272     14.43997      9.12169        -0.108714      0.187454     -0.388410
      4.56728     11.29432     12.84708         0.061262     -0.174116      0.197222
      4.66166     13.69618     13.22836         0.126010      0.206504      0.337769
      3.97496     16.39712      9.36799        -0.134030     -0.028850      0.048669
      4.62714     15.66053     13.60807         0.232192     -0.157181     -0.111854
      4.99032     18.04874     13.93825         0.310867     -0.033051     -0.092767
      5.42970      2.29749      7.42966         0.120355      0.237457     -0.404690
      4.95417      0.20692      7.99674        -0.176905     -0.130258      0.117061
      4.48665      1.56666     12.04670        -0.543608      0.067914     -0.081051
      6.74697      6.63232      6.00429         0.379497      0.094907     -0.255264
      5.45285      5.94095     10.50322         0.109200     -0.113531      0.033711
      5.85384      8.01467      9.96836         0.363988      0.185437     -0.180554
      2.10408     16.46247      3.21434         0.098012      0.174474      0.408700
      0.47134     14.95009     20.03906        -0.169466     -0.288995     -0.139987
      0.54210     17.26860     20.52497        -0.366719      0.342339     -0.337623
      1.82207     18.75217      3.57787         0.112896     -0.141080      0.283514
      0.26442     19.03351     20.80326        -0.129081     -0.437617     -0.535852
      0.04091      0.16528     21.01572        -0.159963      0.047879     -0.299348
      2.54041      3.81931      6.96987        -0.177011      0.194345     -0.211633
      2.34623      2.01977      5.88846        -0.112122      0.026234     -0.306452
      0.73495      4.33068      2.64014        -0.299476     -0.132158     -0.061180
      3.73261      7.53083      9.48249        -0.244399      0.178023     -0.040312
      1.85215      8.27358      5.12085        -0.173158      0.051431      0.689197
      2.50145     10.08497      6.26174        -0.087041      0.674477      0.064790
      3.29149     17.03450     21.07489        -0.049655      0.414456     -0.665010
      6.02488     13.80272      2.35695         0.008632     -0.182615      0.329824
      6.05894     16.13347      2.96772         0.280088      0.243156      0.467699
      3.40579     19.25760      0.45652        -0.197263     -0.022672     -0.557670
      6.16631     18.00829      3.51631         0.223093     -0.459244      0.221199
      6.40040     20.29174      4.27709         0.154347      0.001389      0.279975
      1.90536      5.41743      0.51987        -0.071663      0.236540     -0.140097
      2.42094      3.36644      0.45477        -0.004828     -0.342348      0.061859
      4.81949      3.96093      3.94714         0.212931     -0.234059      0.014765
      1.52733     10.26265     21.14463        -0.445010      0.151038      0.449440
      4.15986      8.73303      3.58096         0.751682      0.297028     -0.346334
      3.69229     10.88280      3.53614         0.500853      0.976771      0.937647
     20.45106     19.54473     14.72009         0.037355      0.043031      0.645438
     16.60743     17.81797     12.09799        -0.102254     -0.040450     -0.148247
     16.91544     20.21689     12.38967        -0.224985      0.319301     -0.205288
     20.66972      0.31315     14.99239         0.067670     -0.071252      0.313501
     16.97980      0.85926     12.83819        -0.386924     -0.244173     -0.235846
     16.98428      3.24978     13.35818        -0.081110     -0.024953     -0.174523
      2.53039      6.69347     17.20614        -1.548176      0.065128      0.978741
      1.44922      4.70368     17.02472        -0.483058     -0.084171      0.190168
     19.33139      7.09218     15.94596        -0.391930      0.001160      0.310386
      4.44172     10.03665     20.25156         0.817889      0.051066      0.076906
      0.19704     10.69615     18.21142         0.015315      0.117459      0.310848
      1.30822     12.52013     18.74522        -0.173183      0.605120      0.540731
      0.72375     21.14317     13.39177        -0.136261      0.239323     -0.494611
      3.72286     17.78281     15.42160        -0.023508     -0.098990      0.334529
      4.21086     20.15243     15.71007         0.159142      0.253303      0.374392
      0.95351      1.80595     13.78830         0.092636      0.086547     -0.535871
      4.35441      0.86579     16.21326        -0.476903     -0.233453      0.623409
      4.72959      3.24346     16.68078        -0.512805     -0.059576      0.271861
     20.05485      8.89628     13.83103        -0.270058      0.032168     -0.191942
     20.77783      6.79597     13.83821         0.188591     -0.375021     -0.270713
      2.94015      8.13691     16.04833         0.510060      0.145192     -0.757678
     18.34581     13.11599     13.38211        -0.376645     -0.030747      0.313735
      1.34906     12.55252     15.38310         0.195331     -0.129785     -0.313198
      0.63000     14.61000     15.32240        -0.467006      0.135407     -0.042474
     17.81017      2.65169      7.10694        -0.025445     -0.051073      0.482441
     14.56802      0.86926      3.79726        -0.037400      0.052330     -0.301653
     14.63229      3.26553      4.28886        -0.265381      0.465486     -0.286852
     17.88920      4.71948      7.41935         0.116542     -0.127720      0.335825
     14.69744      5.20394      4.57804        -0.342725     -0.275623     -0.369749
     14.66355      7.60407      4.97711        -0.117690      0.067892     -0.154582
     20.33382     10.83647     10.63486         0.110372      0.086719      0.051943
     19.42620      9.06776      9.76090        -0.438274     -0.153881      0.002590
     16.73583     11.62921      7.60699        -0.123042     -0.043131     -0.014868
      1.12619     14.38390     12.83073         0.333492      0.322627     -0.383396
     18.41948     15.19234     10.24756        -0.128624     -0.166327      0.598301
     19.45435     16.99442     11.10918         0.073966      0.356667      0.024404
     19.35493      4.40345      5.28445        -0.037705      0.183855     -0.143903
     21.16876      0.67737      8.03555         0.245784     -0.249704      0.202825
      0.17214      2.98026      8.79823         0.081548      0.177358      0.542884
     19.70776      6.16651      5.73103         0.315893      0.182051      0.494914
      0.26804      4.96007      9.47076        -0.373768     -0.032232      0.252971
      0.70067      7.28494     10.04681         0.042715      0.115206      0.195601
     18.50872     13.34384      4.92399        -0.214756      0.116779     -0.189952
     19.02963     11.21580      5.20578        -0.079017     -0.361083     -0.005400
      0.14510     12.34793      8.61556         0.287184     -0.049462     -0.210302
     17.07562     17.67706      4.20546         0.233785      0.194787     -0.150235
     20.07424     16.81938      7.80948         0.351425     -0.058984      0.009785
     19.32776     18.87570      7.65881        -0.299822      0.213427      0.073795
     14.02486     19.31559     10.65834        -0.134138      0.209873      0.449408
     18.73283     20.96672      3.74723         0.308319      0.101846     -0.122270
     12.51548      1.19829      2.69995         0.547878      0.996436     -0.242113
     13.48062     11.66046      4.45508         0.064540     -1.994467     -0.293735
      9.81606      2.63707      2.82061        -0.544778      0.456688      0.537734
     10.72999     12.67259      5.35981        -0.602332     -0.539848     -0.734977
      9.65212      5.22305     15.91474         0.632708      0.815178     -0.966747
     10.49894     15.66829     17.82748         0.296507     -0.988785      0.597114
      7.08507      6.43858     15.49462        -0.674628      0.011905      0.847978
      7.66516     16.61167     18.35444        -0.750826     -1.057429      0.137027
      6.54151      8.95311      7.44731         0.444182      0.982040     -0.472889
      7.40755     19.40332      9.06417         0.371375     -0.621280     -0.752863
      3.49071     10.18490      8.89660         0.196147      0.473545      0.622843
      4.38437     20.49118     10.57855        -0.362076      0.426329     -0.206147
      2.23764     12.39275      1.62017        -0.896228     -0.535059     -0.475355
      1.32585      1.71385      3.40837        -0.563029     -0.533093     -0.981051
      3.64668     12.76890     20.26173         0.689597     -0.592070      0.689305
      4.10642      1.89550      2.17854         0.514238     -0.279821      0.314969
     19.47266     15.44475     14.15516         0.372794      0.721683      1.206707
     20.12552      4.46961     15.91912        -0.265731     -0.774404     -0.346718
      0.64084     16.98712     12.64340        -0.645103      1.112496     -0.867271
      2.04138      5.83607     14.72268        -1.020223     -0.275752     -0.788226
     17.42367     19.83347      5.87517        -0.652959      0.732469     -0.189918
     17.46093      8.94018      7.86747        -0.735412     -0.517062     -0.438105
     19.24226      0.38405      4.31613         0.318297      0.193589     -0.027714
     20.55552     10.08105      7.20571        -0.147474     -0.173082     -0.950514
     12.12296      2.32234      4.75422         0.704896      0.265425     -1.091671
     13.01739      0.98051      0.43842         0.684466      0.271390     -0.113386
     12.99817      9.95052      6.03976         0.558309      0.051669     -1.370287
     13.71246     12.61520      2.35165         0.289958      0.265086     -0.472053
     10.06641      4.49037      1.39942        -0.511116      0.036653      0.357422
      9.39893      1.46974      4.80178        -0.668745     -2.381616      1.587539
     10.88302     11.59855      3.23609        -1.254685     -0.201909      2.621398
     10.30511     12.87876      7.63216        -0.260702      0.422519      0.810434
      9.46838      6.37643     17.94291         0.589655      0.165333     -0.560639
     10.08579      4.93665     13.59085         0.483551      2.543124      2.928634
     10.09098     13.91003     19.39040         0.595640      0.192080     -0.697050
     10.80332     16.65058     15.75634         0.440870      0.743414     -0.695388
      7.43445      8.29681     14.12441        -0.828151     -0.269422      1.213746
      6.77185      5.22784     17.48692        -0.473491     -0.281742      0.293770
      8.10436     15.66963     16.22799        -1.234366     -0.521289      1.787718
      7.12197     16.67329     20.62191        -0.128368     -0.238885      0.218903
      6.40870     10.13805      9.47691         0.274648      0.257535      0.236713
      7.04188      8.62662      5.20506         0.362046     -0.695870     -1.433882
      6.85193     17.71902     10.59639         0.252543     -0.445863      0.791965
      8.06739     20.33348      7.04221         0.137224      0.585880     -0.890584
      3.07573     11.96607      7.44068        -0.121374      0.403781     -0.538500
      4.03459      9.09544     10.89677        -0.112300     -0.173584      0.443509
      4.25707     19.30371      8.51102        -0.198928     -0.156434     -0.030619
      4.56849     20.63008     12.87609         1.177704     14.842008     21.700665
      2.96713     13.39148      3.61819         0.225402     -0.127345      0.346167
      0.72516     12.23226     21.04818         0.345736      0.845378      1.338186
      2.13026      0.14416      4.96236         0.320077     -0.359420      0.432884
      0.44318      2.55022      1.42866        -0.666508      0.314526     -0.679159
      2.61101     14.52052     19.15984         0.767770      0.114861      0.109194
      4.98353     11.66039      0.59183        -0.008471      0.329169     -0.032796
      2.91274      1.06888      0.35128         0.059390     -0.103972     -0.557301
      5.66999      1.87435      3.89619         1.190100      0.564163      1.227406
     -0.09708     16.68986     15.31390        -2.623331      0.029857     -0.687680
     17.55378     15.06771     12.92048        -0.621060     -0.074439      0.071362
      0.37443      2.76295     16.50563        -1.423230     -0.002118     -0.428271
     18.40874      5.49830     14.71665        -1.005310      1.206963     -0.439049
     20.77901     18.92294     11.79088         1.186365     -0.672802      0.365810
      2.14898     15.74683     13.95147         0.021012      0.093964     -0.159154
      0.28005      4.72590     13.50877         2.648367     -0.312010      1.144172
      3.85218      5.92996     16.13234         5.030565      4.059483      3.518661
     18.42267     20.99019      7.68493        -0.639395     -0.076730     -0.278987
     15.88292     19.49227      4.14772        -0.256226      0.011843     -0.363511
     18.51541      7.19253      9.02443         0.314625     -0.567871      1.224281
     15.86193      9.92605      6.49636        -0.512720      0.651518     -0.631033
     18.31524      2.28806      3.42587        -0.430933      0.751485     -0.634763
     20.39640     20.13518      5.62643         0.407295      0.141964     -0.019165
     19.40978      9.11461      5.33079        -0.166667      0.069877     -0.186529
      0.53045     10.05046      9.14764         5.022963      4.969643      6.996673
     13.61861     17.63624      5.35173         0.360255      0.169868     -0.419479
     15.61069     16.83911      5.56731        -0.285602     -0.329814     -0.206295
     14.47893     16.46891      3.73312         0.282572      0.122649     -0.329530
     11.96343     15.16324     11.28973        -0.213386      0.185815      0.108804
     11.46334     14.57649      9.22948         0.116371      0.061770      1.159503
     13.42945     13.96630     10.20313        -0.726065      0.069527      0.574994
     11.95352     18.27944      7.19236        -0.827908     -0.869225      0.250480
     10.00509     18.40721      6.27709         0.112703     -0.186859      0.724712
     10.42090     16.85088      7.82656        -0.316546      0.198845      0.394436
     12.92289     18.22372      0.12815         0.806343      0.223190     -0.485653
     13.86008     16.78212      1.53327         0.501826      0.317669     -0.733046
     11.78600     16.62365      0.98055         0.188473      0.126278     -0.277430
     10.06153      0.35540     18.70445         0.803262      0.328126     -0.503344
     12.19497     -0.06128     18.80187         0.199720     -0.149508     -0.240051
     11.07245     20.67085     17.01333         0.797531      0.125247     -0.188931
      9.21073     19.17755      3.54112        -0.336553      0.054075      0.495152
      8.21527     18.53318      1.69122         0.062003      0.253400      0.363944
     10.30819     18.07498      2.03871        -1.005950     -0.188431      0.878937
      8.20995      0.83098     20.46648        -1.309656     -0.606640     -0.271076
      6.50973      1.21793     19.15400        -0.729767     -0.488551      0.535592
      6.41421     20.85228     20.68458        -0.399115      0.139817      0.283643
      9.10055      0.91016     13.36092         1.083095      0.162603     -0.207847
     10.44163     21.00078     14.64188         1.474847      0.261637     -0.161160
      8.45281     20.47229     14.42280        -1.499793     -3.123663     -0.497027
      7.56038      4.09635      9.91364         1.235043     -0.205364     -0.525733
      9.56352      3.44771     10.45684         0.079549     -0.377391     -0.670328
      8.69890      2.91704      8.48922         0.699731      0.067564     -0.339815
      6.20415      1.68770     16.09590        -0.344891      0.340127     -1.348016
      5.03223      1.56291     14.11065         0.262527     -0.327732      0.440811
      6.89250      0.51230     14.39590        -1.955685      2.102371      1.748265
      5.78826      4.95976     11.88690        -1.364477     -0.345644      0.334436
      3.65476      5.05562     11.71831        -0.268936     -0.826664      1.107311
      4.54688      3.52057     12.94627        -0.574621     -0.120731      0.949285
      6.88669      4.42101      5.10585         0.741651     -0.249736     -0.136004
      7.13137      2.96412      6.69469         0.216653     -0.066639     -0.485719
      5.12437      3.39755      5.94711         0.872717      0.745906     -0.094926
     -0.04781      7.36832      4.55166        -0.281739      0.076869     -0.424810
      1.78547      7.59756      3.48535        -0.554607      0.542253     -0.515612
      0.13009      6.46174      2.60918        -0.634164      0.136471     -0.797041
      3.51471      5.45545      9.66804        -0.774322     -0.401643     -1.309076
      2.00662      4.40221      8.56824         0.362515      0.503323      0.495668
      3.91983      4.56472      7.64252         0.534299     -0.068972      0.120244
      5.73154      7.25929      3.49850         0.423035     -0.261701      0.269687
      3.92226      7.43475      4.70626         0.291726     -0.044556      0.216807
      5.12756      5.74954      5.01873         0.171939     -0.028620      0.848283
      1.15106      8.15316     20.13325        -1.523757      0.185418      0.098106
      2.76816      6.93523     -0.27241        -0.573866     -0.068262     -1.915533
      0.69027      6.76380      0.36787        -0.615593      0.736709      0.220353
     19.74443      9.59840     18.63336        -0.668082     -0.357200     -0.438469
     20.42806     10.48462     16.75811        -1.076812     -0.905521      0.652831
     18.72537      9.10487     16.68107         0.471258      0.096541      1.290524
      4.75023      7.81776     19.96799        -0.116834     -0.226728     -0.219146
      3.22398      6.64212     18.91440         0.201675     -1.081440      1.056308
      4.49551      7.78194     17.75345         0.778046      0.806230     -0.370080
      3.14389     11.53911     15.00331         0.232846     -0.236012      0.173916
      1.83686     11.60653     16.77569         1.274041     -0.251654     -1.279628
      3.52483     10.25111     16.73815         1.096899     -0.072570     -0.463782
     17.56318     11.11506     13.02182        -1.042946      0.281800      0.172043
     19.08340      9.71238     12.49465        -0.307459      0.286229      0.353425
     18.25656      9.62760     14.51244        -0.659472      0.452585     -0.499837
     16.63830     14.37424      9.86542        -0.301824     -0.115639     -0.693423
     18.18759     14.86573      8.39152        -0.813318      0.130914     -0.204583
     16.39653     13.79352      7.73803        -0.176191      0.254895     -0.182730
      1.39452     12.26394     12.80690         0.683526      0.238761     -0.208354
     20.84471     11.24291     12.20955         1.018480     -0.566066      0.075251
      1.04684     11.82146     10.72609         0.646749     -0.094225     -0.531919
      0.76600     15.88526      7.50602         0.198179     -0.530098      0.458363
     20.49177     15.76455      9.07788         1.257173     -0.297733     -0.465519
      0.93466     14.42645      9.17346         0.723541      0.021765      0.054650
     17.04304     15.77896      3.04004         0.019204      0.154290     -0.200697
     18.83435     14.57374      3.45006        -0.768427      0.364191     -0.414675
     16.90765     14.24543      4.59924         0.152899      0.648797     -0.729895
 -----------------------------------------------------------------------------------
    total drift:                               -0.001508     -0.001198      0.005041


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4527.1378058556 eV

  energy  without entropy=    -4527.2827425660  energy(sigma->0) =    -4527.18611809
 
 d Force = 0.4681788E+01[-0.111E+02, 0.205E+02]  d Energy = 0.6423738E+01-0.174E+01
 d Force = 0.3377149E+04[ 0.326E+04, 0.349E+04]  d Ewald  = 0.3380084E+04-0.293E+01


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -6.423738  1 .order   -4.681788  -20.455986   11.092410
  (g-gl).g = 0.404E+02      g.g   = 0.429E+02  gl.gl    = 0.505E+02
 g(Force)  = 0.429E+02   g(Stress)= 0.000E+00 ortho     = 0.557E-01
 gamma     =   0.79894
 trial     =   0.47670
 opt step  =   0.34122  (harmonic =   0.30909) maximal distance =0.11966045
 next E    = -4528.674074   (d E  =  -7.96001)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   19(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3176
 total energy-change (2. order) :-0.4978001E+00  (-0.4247863E+02)
 number of electron    2497.9999997 magnetization 
 augmentation part      163.4447083 magnetization 

  free energy =  -0.452763559816E+04  energy without entropy=  -0.452778055643E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   19(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3600
 total energy-change (2. order) :-0.1017889E+01  (-0.1240502E+01)
 number of electron    2497.9999997 magnetization 
 augmentation part      163.4128884 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8343
  0.8343

  free energy =  -0.452865348740E+04  energy without entropy=  -0.452879815048E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   19(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3760
 total energy-change (2. order) : 0.5405293E-01  (-0.3414470E-01)
 number of electron    2497.9999997 magnetization 
 augmentation part      163.3936647 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2904
  1.2904  1.2904

  free energy =  -0.452859943447E+04  energy without entropy=  -0.452874475391E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   19(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) : 0.1412181E-01  (-0.1919074E-01)
 number of electron    2497.9999997 magnetization 
 augmentation part      163.3856316 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2877
  2.1589  0.8521  0.8521

  free energy =  -0.452858531266E+04  energy without entropy=  -0.452873073808E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   19(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3600
 total energy-change (2. order) :-0.3324667E-02  (-0.4347857E-02)
 number of electron    2497.9999997 magnetization 
 augmentation part      163.3853398 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3248
  2.3623  1.0222  1.0222  0.8925

  free energy =  -0.452858863732E+04  energy without entropy=  -0.452873444271E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   19(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3624
 total energy-change (2. order) : 0.2229555E-02  (-0.2640755E-02)
 number of electron    2497.9999997 magnetization 
 augmentation part      163.3869855 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2850
  2.3706  1.0909  1.0909  0.9362  0.9362

  free energy =  -0.452858640777E+04  energy without entropy=  -0.452873206601E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   19(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3704
 total energy-change (2. order) :-0.1980850E-03  (-0.5156521E-03)
 number of electron    2497.9999997 magnetization 
 augmentation part      163.3879611 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2537
  2.4104  1.0117  1.0117  1.1364  1.1364  0.8159

  free energy =  -0.452858660585E+04  energy without entropy=  -0.452873248965E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   19(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) : 0.5554533E-04  (-0.7246010E-04)
 number of electron    2497.9999997 magnetization 
 augmentation part      163.3881637 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2625
  2.4589  1.2796  1.2796  1.0612  1.0612  0.8486  0.8486

  free energy =  -0.452858655031E+04  energy without entropy=  -0.452873232783E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   19(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) :-0.8519320E-04  (-0.4128625E-04)
 number of electron    2497.9999997 magnetization 
 augmentation part      163.3878290 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2436
  2.5055  1.6865  1.0325  1.0325  1.1916  0.9068  0.9068  0.6865

  free energy =  -0.452858663550E+04  energy without entropy=  -0.452873249591E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   19(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3400
 total energy-change (2. order) :-0.5520004E-04  (-0.4816870E-05)
 number of electron    2497.9999997 magnetization 
 augmentation part      163.3879656 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2878
  2.6587  2.1009  1.0880  1.0880  0.9178  0.9178  1.1296  1.0414  0.6476

  free energy =  -0.452858669070E+04  energy without entropy=  -0.452873254413E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   19(  11)  ---------------------------------------



 eigenvalue-minimisations  :  3184
 total energy-change (2. order) :-0.7567863E-04  (-0.5059941E-05)
 number of electron    2497.9999997 magnetization 
 augmentation part      163.3879434 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2676
  2.6863  2.1001  1.0627  1.0627  1.3040  1.2043  0.8766  0.8766  0.8517  0.6507

  free energy =  -0.452858676638E+04  energy without entropy=  -0.452873262340E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   19(  12)  ---------------------------------------



 eigenvalue-minimisations  :  2352
 total energy-change (2. order) :-0.4794676E-04  (-0.1022949E-05)
 number of electron    2497.9999997 magnetization 
 augmentation part      163.3879923 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2961
  2.7725  2.2879  1.4483  1.4483  1.0533  1.0533  0.9138  0.9138  0.8601  0.8601
  0.6461

  free energy =  -0.452858681433E+04  energy without entropy=  -0.452873269402E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   19(  13)  ---------------------------------------



 eigenvalue-minimisations  :  2328
 total energy-change (2. order) :-0.5514434E-04  (-0.7493168E-06)
 number of electron    2497.9999997 magnetization 
 augmentation part      163.3880079 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3400
  3.1734  2.4917  1.5945  1.5945  1.0588  1.0588  0.8865  0.8865  0.9234  0.9234
  0.8406  0.6473

  free energy =  -0.452858686947E+04  energy without entropy=  -0.452873274509E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   19(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2320
 total energy-change (2. order) :-0.3835393E-04  (-0.3911943E-06)
 number of electron    2497.9999997 magnetization 
 augmentation part      163.3880197 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3913
  3.7427  2.5507  1.6930  1.6930  1.0542  1.0542  0.9365  0.9365  1.0699  1.0699
  0.9135  0.7219  0.6516

  free energy =  -0.452858690782E+04  energy without entropy=  -0.452873279687E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   19(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2304
 total energy-change (2. order) :-0.2530904E-04  (-0.2294510E-06)
 number of electron    2497.9999997 magnetization 
 augmentation part      163.3880180 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4199
  4.3565  2.5696  1.7903  1.7903  1.0633  1.0633  0.9035  0.9035  1.1657  1.1111
  0.8636  0.8636  0.6493  0.7853

  free energy =  -0.452858693313E+04  energy without entropy=  -0.452873281801E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   19(  16)  ---------------------------------------



 eigenvalue-minimisations  :  2240
 total energy-change (2. order) :-0.1228493E-04  (-0.1394844E-06)
 number of electron    2497.9999997 magnetization 
 augmentation part      163.3880125 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4383
  4.6164  2.6195  2.0433  1.0572  1.0572  1.5185  1.1704  1.1704  1.3382  0.9230
  0.9230  0.9024  0.9024  0.6485  0.6841

  free energy =  -0.452858694542E+04  energy without entropy=  -0.452873283321E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   19(  17)  ---------------------------------------



 eigenvalue-minimisations  :  2216
 total energy-change (2. order) :-0.5862792E-05  (-0.5644150E-07)
 number of electron    2497.9999997 magnetization 
 augmentation part      163.3880125 magnetization 

  free energy =  -0.452858695128E+04  energy without entropy=  -0.452873283788E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.9442       2 -56.1489       3 -55.9979       4 -55.7674       5 -55.7796
       6 -56.2863       7 -57.8993       8 -58.2187       9 -56.3033      10 -56.0051
      11 -56.0810      12 -55.8161      13 -55.7766      14 -55.9771      15 -57.9715
      16 -58.1084      17 -56.3378      18 -54.8954      19 -54.6094      20 -55.1433
      21 -55.5651      22 -55.4859      23 -55.5349      24 -55.5802      25 -55.0102
      26 -54.6023      27 -54.8276      28 -54.9373      29 -60.5102      30 -60.5151
      31 -55.6322      32 -55.8519      33 -55.7243      34 -55.2773      35 -55.5217
      36 -56.0033      37 -57.8644      38 -58.0464      39 -56.0548      40 -55.7215
      41 -55.9396      42 -55.7157      43 -55.7442      44 -55.8510      45 -58.0075
      46 -58.1894      47 -56.5496      48 -55.1591      49 -54.8539      50 -55.3165
      51 -55.8891      52 -55.7562      53 -55.5796      54 -55.7983      55 -55.0803
      56 -54.6355      57 -54.9068      58 -56.3818      59 -60.5992      60 -60.7538
      61 -55.9225      62 -56.0209      63 -55.9014      64 -55.7176      65 -55.7437
      66 -56.1955      67 -57.8674      68 -58.1074      69 -56.2265      70 -55.9208
      71 -56.0426      72 -55.7305      73 -55.6534      74 -55.8939      75 -57.9997
      76 -58.2140      77 -56.4757      78 -55.0014      79 -54.6535      80 -55.2793
      81 -55.7103      82 -55.6793      83 -55.6399      84 -55.7187      85 -55.0832
      86 -54.8197      87 -55.0036      88 -56.4555      89 -60.7128      90 -60.6436
      91 -55.6307      92 -55.7786      93 -55.6337      94 -55.3583      95 -55.4322
      96 -55.9580      97 -57.8621      98 -57.9445      99 -56.0555     100 -55.8031
     101 -55.9490     102 -55.5341     103 -55.5454     104 -55.8230     105 -57.9716
     106 -58.1382     107 -56.4859     108 -55.0306     109 -54.8637     110 -55.2773
     111 -55.7903     112 -55.7049     113 -55.5848     114 -55.7100     115 -55.1486
     116 -54.7476     117 -54.9250     118 -56.3899     119 -60.4889     120 -60.5749
     121 -55.8634     122 -55.9499     123 -55.8043     124 -55.7203     125 -55.7281
     126 -56.1287     127 -57.9075     128 -58.0662     129 -56.0593     130 -55.7357
     131 -55.8610     132 -55.5883     133 -55.5323     134 -55.7569     135 -57.8313
     136 -57.9875     137 -56.4006     138 -54.9545     139 -54.6712     140 -55.2033
     141 -55.6993     142 -55.7490     143 -55.7013     144 -55.6745     145 -55.2224
     146 -54.8520     147 -55.1200     148 -56.4353     149 -60.6024     150 -60.6497
     151 -55.5389     152 -55.6432     153 -55.4961     154 -55.3334     155 -55.3741
     156 -55.8173     157 -57.7228     158 -57.8253     159 -55.8418     160 -55.5520
     161 -55.7385     162 -55.4427     163 -55.4376     164 -55.5804     165 -58.1439
     166 -58.0136     167 -56.4209     168 -55.0665     169 -54.7422     170 -55.3214
     171 -55.8063     172 -55.7584     173 -55.7346     174 -55.6891     175 -55.0685
     176 -54.5529     177 -54.8554     178 -56.2638     179 -60.5617     180 -60.6543
     181 -55.7986     182 -56.0059     183 -55.8386     184 -55.5457     185 -55.5740
     186 -56.1735     187 -57.8822     188 -58.0971     189 -56.1581     190 -55.7790
     191 -55.9057     192 -55.6751     193 -55.5922     194 -55.8059     195 -57.8984
     196 -58.0668     197 -56.3520     198 -54.7999     199 -54.5799     200 -55.1179
     201 -55.6754     202 -55.6441     203 -55.6654     204 -55.6582     205 -55.1591
     206 -54.8928     207 -55.0237     208 -56.4235     209 -60.6596     210 -60.5826
     211 -55.9453     212 -56.0974     213 -55.8444     214 -55.7304     215 -55.6766
     216 -56.2017     217 -58.1623     218 -58.1763     219 -56.1378     220 -55.7796
     221 -55.8999     222 -55.5926     223 -55.4870     224 -55.7596     225 -57.8398
     226 -58.0634     227 -56.3640     228 -54.8444     229 -54.7671     230 -55.0440
     231 -55.5756     232 -55.7685     233 -55.8098     234 -55.5713     235 -55.2084
     236 -54.7931     237 -55.0358     238 -56.4848     239 -60.4261     240 -60.4811
     241 -55.9212     242 -55.9663     243 -55.8130     244 -55.7277     245 -55.7554
     246 -56.1345     247 -57.9405     248 -58.1445     249 -56.2285     250 -55.9408
     251 -56.0697     252 -55.7822     253 -55.7716     254 -55.9483     255 -57.9873
     256 -58.0963     257 -56.5649     258 -55.1921     259 -54.9431     260 -55.3566
     261 -55.8252     262 -55.9076     263 -55.8294     264 -55.7853     265 -55.3557
     266 -54.8039     267 -55.1902     268 -56.4471     269 -60.5498     270 -60.5466
     271 -55.9073     272 -55.9721     273 -55.7635     274 -55.7884     275 -55.7441
     276 -56.0939     277 -58.1746     278 -58.1752     279 -55.8146     280 -55.5981
     281 -55.7199     282 -55.4458     283 -55.3484     284 -55.6173     285 -57.9983
     286 -58.0471     287 -56.6124     288 -55.2043     289 -54.8403     290 -55.5178
     291 -55.7886     292 -55.7331     293 -55.6458     294 -55.7869     295 -55.0517
     296 -54.6807     297 -54.8646     298 -56.3784     299 -60.5723     300 -60.7199
     301 -55.8263     302 -55.9502     303 -55.8080     304 -55.5720     305 -55.6017
     306 -56.0810     307 -57.9743     308 -58.1204     309 -56.1362     310 -55.7986
     311 -55.9498     312 -55.6749     313 -55.6596     314 -55.8689     315 -57.9292
     316 -58.0350     317 -56.3994     318 -54.9031     319 -54.6439     320 -55.1442
     321 -55.6666     322 -55.6830     323 -55.6807     324 -55.6878     325 -55.0565
     326 -54.9699     327 -55.1486     328 -56.5206     329 -60.5481     330 -60.4224
     331 -55.6705     332 -55.7408     333 -55.5591     334 -55.4757     335 -55.4528
     336 -55.8781     337 -57.7835     338 -57.8704     339 -55.7039     340 -55.4224
     341 -55.5534     342 -55.3085     343 -55.3180     344 -55.4733     345 -57.7823
     346 -57.8581     347 -56.3105     348 -54.8306     349 -54.6334     350 -55.2085
     351 -55.6350     352 -55.5836     353 -55.5459     354 -55.5328     355 -55.0231
     356 -54.5044     357 -54.7838     358 -56.2687     359 -60.3978     360 -60.5516
     361 -39.1927     362 -38.8276     363 -39.0325     364 -39.2038     365 -39.0597
     366 -38.7748     367 -38.2166     368 -38.1429     369 -38.0744     370 -38.2276
     371 -38.3446     372 -38.2416     373 -38.9282     374 -38.4700     375 -38.7425
     376 -39.0334     377 -38.9111     378 -38.8092     379 -38.4742     380 -38.1713
     381 -38.2466     382 -38.0305     383 -38.3306     384 -38.0023     385 -39.0615
     386 -38.7893     387 -38.9687     388 -39.0142     389 -38.9093     390 -38.6256
     391 -38.3883     392 -38.1311     393 -38.2962     394 -38.0233     395 -38.3093
     396 -38.3052     397 -38.8992     398 -38.3567     399 -38.6502     400 -38.9841
     401 -38.6834     402 -38.8344     403 -38.3527     404 -38.1253     405 -38.2295
     406 -38.0079     407 -38.1810     408 -37.9521     409 -38.8842     410 -38.8285
     411 -39.0157     412 -38.8277     413 -38.9123     414 -38.6428     415 -38.2823
     416 -38.3899     417 -38.1082     418 -38.2446     419 -38.3096     420 -38.3133
     421 -38.6439     422 -38.3702     423 -38.5608     424 -38.6332     425 -38.5235
     426 -38.7760     427 -38.3141     428 -38.0899     429 -38.4008     430 -38.1391
     431 -38.2261     432 -37.9965     433 -38.7978     434 -38.5790     435 -38.9792
     436 -38.7744     437 -39.0068     438 -38.6604     439 -38.4938     440 -37.9529
     441 -38.0826     442 -38.0886     443 -38.2842     444 -38.2360     445 -38.9292
     446 -38.8864     447 -38.9199     448 -38.8651     449 -38.7833     450 -38.4738
     451 -38.1187     452 -37.8336     453 -38.0644     454 -38.2022     455 -38.2970
     456 -38.3944     457 -39.0431     458 -38.7432     459 -38.9846     460 -39.1250
     461 -39.0151     462 -38.8017     463 -38.0542     464 -38.3974     465 -38.2596
     466 -38.4665     467 -38.3995     468 -38.2271     469 -39.0221     470 -38.9699
     471 -38.8824     472 -38.8459     473 -38.6194     474 -38.3718     475 -38.4732
     476 -38.2300     477 -38.4986     478 -37.9698     479 -38.3114     480 -37.9563
     481 -38.9301     482 -38.7247     483 -38.8961     484 -38.9293     485 -38.9273
     486 -38.8108     487 -38.2772     488 -38.1697     489 -38.0407     490 -38.1360
     491 -38.2560     492 -38.3843     493 -38.8135     494 -38.5405     495 -38.6676
     496 -38.5261     497 -38.4398     498 -38.4060     499 -38.2166     500 -37.9513
     501 -38.1556     502 -37.9869     503 -38.1924     504 -37.8678     505 -38.3738
     506 -41.2228     507 -71.6484     508 -71.6655     509 -71.6238     510 -71.7736
     511 -71.6237     512 -71.7390     513 -71.6446     514 -71.6562     515 -71.4956
     516 -71.5008     517 -71.4086     518 -71.1822     519 -71.6290     520 -71.6312
     521 -71.8063     522 -71.5212     523 -71.6762     524 -71.5569     525 -71.8258
     526 -71.4944     527 -71.6279     528 -71.5602     529 -71.1743     530 -71.2126
     531 -76.7201     532 -76.4462     533 -76.6810     534 -76.5073     535 -76.5649
     536 -76.6045     537 -76.7049     538 -76.6078     539 -76.6276     540 -76.3995
     541 -76.7565     542 -76.5700     543 -76.4320     544 -76.5138     545 -76.6315
     546 -76.5760     547 -76.6678     548 -76.6056     549 -76.6504     550 -76.4615
     551 -76.4256     552 -76.3404     553 -76.6713     554 -77.4825     555 -76.5204
     556 -76.6124     557 -76.6690     558 -76.5919     559 -76.5729     560 -76.7913
     561 -76.6070     562 -76.5060     563 -76.6821     564 -76.4130     565 -76.7147
     566 -76.6357     567 -76.7450     568 -76.7489     569 -76.6251     570 -76.9206
     571 -76.6899     572 -76.5914     573 -76.6384     574 -76.5715     575 -76.4683
     576 -76.3234     577 -76.5594     578 -76.6662     579 -82.7654     580 -82.2157
     581 -82.7141     582 -82.7401     583 -82.3734     584 -82.2492     585 -82.4565
     586 -82.5528     587 -82.9539     588 -82.5355     589 -82.5014     590 -82.4022
     591 -82.8171     592 -82.3123     593 -82.8204     594 -82.8941     595 -82.2686
     596 -83.0424     597 -82.3535     598 -82.3690     599 -82.7929     600 -82.0678
     601 -82.2650     602 -82.6278     603 -82.8104     604 -82.3317     605 -83.1191
     606 -82.6166     607 -82.7099     608 -82.6123     609 -82.5224     610 -82.2991
     611 -82.9684     612 -82.6230     613 -82.4177     614 -82.1763     615 -82.4157
     616 -82.9516     617 -82.6939     618 -82.6927     619 -82.4313     620 -83.0619
     621 -82.1833     622 -82.6974     623 -82.8877     624 -83.0450     625 -82.3524
     626 -82.2625     627 -82.2953     628 -82.4721     629 -82.5833     630 -82.3498
     631 -82.7812     632 -82.1974     633 -82.4785     634 -82.6174     635 -82.9251
     636 -82.5924     637 -82.2093     638 -82.5271     639 -82.0466     640 -82.5665
     641 -82.5536     642 -82.5838     643 -82.7949     644 -82.4615     645 -82.2953
     646 -82.5454     647 -82.7521     648 -82.5778     649 -82.1743     650 -82.1749
 
 
 
 E-fermi :  -1.2554     XC(G=0):  -6.3530     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.4712      2.00000
      2     -29.3823      2.00000
      3     -29.3631      2.00000
      4     -29.3174      2.00000
      5     -29.2994      2.00000
      6     -29.2635      2.00000
      7     -29.2525      2.00000
      8     -29.2307      2.00000
      9     -29.1825      2.00000
     10     -29.1664      2.00000
     11     -29.1622      2.00000
     12     -29.1164      2.00000
     13     -29.0994      2.00000
     14     -28.9982      2.00000
     15     -28.9587      2.00000
     16     -28.8863      2.00000
     17     -28.8849      2.00000
     18     -28.8842      2.00000
     19     -28.8041      2.00000
     20     -28.7757      2.00000
     21     -28.7542      2.00000
     22     -28.6892      2.00000
     23     -28.6620      2.00000
     24     -28.5525      2.00000
     25     -27.3758      2.00000
     26     -27.2089      2.00000
     27     -27.1977      2.00000
     28     -27.1822      2.00000
     29     -27.1807      2.00000
     30     -27.1012      2.00000
     31     -27.0609      2.00000
     32     -27.0607      2.00000
     33     -27.0337      2.00000
     34     -26.9782      2.00000
     35     -26.9686      2.00000
     36     -26.9443      2.00000
     37     -26.8589      2.00000
     38     -26.8131      2.00000
     39     -26.7945      2.00000
     40     -26.7576      2.00000
     41     -26.7451      2.00000
     42     -26.7355      2.00000
     43     -26.7152      2.00000
     44     -26.7004      2.00000
     45     -26.6684      2.00000
     46     -26.6517      2.00000
     47     -26.6380      2.00000
     48     -26.6067      2.00000
     49     -26.5689      2.00000
     50     -26.5431      2.00000
     51     -26.5042      2.00000
     52     -26.4887      2.00000
     53     -26.4879      2.00000
     54     -26.4722      2.00000
     55     -26.4695      2.00000
     56     -26.4520      2.00000
     57     -26.4434      2.00000
     58     -26.4288      2.00000
     59     -26.4069      2.00000
     60     -26.4045      2.00000
     61     -26.3894      2.00000
     62     -26.3777      2.00000
     63     -26.3278      2.00000
     64     -26.2995      2.00000
     65     -26.2913      2.00000
     66     -26.2861      2.00000
     67     -26.2750      2.00000
     68     -26.2312      2.00000
     69     -26.2284      2.00000
     70     -26.2232      2.00000
     71     -26.1779      2.00000
     72     -26.1580      2.00000
     73     -24.5727      2.00000
     74     -23.6785      2.00000
     75     -23.4297      2.00000
     76     -23.2957      2.00000
     77     -23.2574      2.00000
     78     -23.2347      2.00000
     79     -23.2292      2.00000
     80     -23.2190      2.00000
     81     -23.2179      2.00000
     82     -23.1610      2.00000
     83     -23.1602      2.00000
     84     -23.1589      2.00000
     85     -23.1426      2.00000
     86     -23.1353      2.00000
     87     -23.0864      2.00000
     88     -23.0630      2.00000
     89     -23.0047      2.00000
     90     -23.0039      2.00000
     91     -22.9695      2.00000
     92     -22.9604      2.00000
     93     -22.9210      2.00000
     94     -22.9085      2.00000
     95     -22.8845      2.00000
     96     -22.8353      2.00000
     97     -22.7738      2.00000
     98     -22.6648      2.00000
     99     -22.6580      2.00000
    100     -22.6537      2.00000
    101     -22.6518      2.00000
    102     -22.6344      2.00000
    103     -22.6309      2.00000
    104     -22.6052      2.00000
    105     -22.5912      2.00000
    106     -22.5810      2.00000
    107     -22.5737      2.00000
    108     -22.5719      2.00000
    109     -22.5601      2.00000
    110     -22.5114      2.00000
    111     -22.4918      2.00000
    112     -22.4765      2.00000
    113     -22.4618      2.00000
    114     -22.4450      2.00000
    115     -22.4423      2.00000
    116     -22.4049      2.00000
    117     -22.3937      2.00000
    118     -22.3316      2.00000
    119     -22.3281      2.00000
    120     -22.2048      2.00000
    121     -20.6128      2.00000
    122     -20.5317      2.00000
    123     -20.5310      2.00000
    124     -20.5252      2.00000
    125     -20.4636      2.00000
    126     -20.4326      2.00000
    127     -20.4274      2.00000
    128     -20.4045      2.00000
    129     -20.3926      2.00000
    130     -20.3920      2.00000
    131     -20.3687      2.00000
    132     -20.3630      2.00000
    133     -20.3519      2.00000
    134     -20.3199      2.00000
    135     -20.2857      2.00000
    136     -20.2840      2.00000
    137     -20.2700      2.00000
    138     -20.2306      2.00000
    139     -20.2120      2.00000
    140     -20.1957      2.00000
    141     -20.1914      2.00000
    142     -20.0998      2.00000
    143     -20.0425      2.00000
    144     -19.9985      2.00000
    145     -18.7113      2.00000
    146     -18.6532      2.00000
    147     -18.6341      2.00000
    148     -18.5925      2.00000
    149     -18.5822      2.00000
    150     -18.5666      2.00000
    151     -18.5575      2.00000
    152     -18.5235      2.00000
    153     -18.4692      2.00000
    154     -18.4322      2.00000
    155     -18.4308      2.00000
    156     -18.3946      2.00000
    157     -18.3866      2.00000
    158     -18.3589      2.00000
    159     -18.3314      2.00000
    160     -18.3250      2.00000
    161     -18.2952      2.00000
    162     -18.2870      2.00000
    163     -18.2659      2.00000
    164     -18.2621      2.00000
    165     -18.2131      2.00000
    166     -18.1678      2.00000
    167     -18.1412      2.00000
    168     -18.0949      2.00000
    169     -18.0755      2.00000
    170     -18.0642      2.00000
    171     -18.0203      2.00000
    172     -17.9643      2.00000
    173     -17.9495      2.00000
    174     -17.9226      2.00000
    175     -17.8807      2.00000
    176     -17.8740      2.00000
    177     -17.8505      2.00000
    178     -17.8283      2.00000
    179     -17.8044      2.00000
    180     -17.7441      2.00000
    181     -17.6541      2.00000
    182     -17.6497      2.00000
    183     -17.6249      2.00000
    184     -17.6030      2.00000
    185     -17.5854      2.00000
    186     -17.5814      2.00000
    187     -17.5506      2.00000
    188     -17.5142      2.00000
    189     -17.4918      2.00000
    190     -17.4842      2.00000
    191     -17.4525      2.00000
    192     -17.4192      2.00000
    193     -16.8838      2.00000
    194     -16.8380      2.00000
    195     -16.8262      2.00000
    196     -16.8032      2.00000
    197     -16.7592      2.00000
    198     -16.7352      2.00000
    199     -16.6928      2.00000
    200     -16.6716      2.00000
    201     -16.6176      2.00000
    202     -16.5927      2.00000
    203     -16.5285      2.00000
    204     -16.4568      2.00000
    205     -16.3436      2.00000
    206     -16.3387      2.00000
    207     -16.3007      2.00000
    208     -16.2410      2.00000
    209     -16.2275      2.00000
    210     -16.2237      2.00000
    211     -16.1844      2.00000
    212     -16.1407      2.00000
    213     -16.1257      2.00000
    214     -16.0516      2.00000
    215     -16.0344      2.00000
    216     -15.8338      2.00000
    217     -15.8109      2.00000
    218     -15.7926      2.00000
    219     -15.7347      2.00000
    220     -15.7083      2.00000
    221     -15.6867      2.00000
    222     -15.6728      2.00000
    223     -15.6692      2.00000
    224     -15.6475      2.00000
    225     -15.6395      2.00000
    226     -15.6240      2.00000
    227     -15.5953      2.00000
    228     -15.5875      2.00000
    229     -15.5571      2.00000
    230     -15.5294      2.00000
    231     -15.5226      2.00000
    232     -15.4904      2.00000
    233     -15.4690      2.00000
    234     -15.4616      2.00000
    235     -15.4541      2.00000
    236     -15.4476      2.00000
    237     -15.4412      2.00000
    238     -15.4312      2.00000
    239     -15.4181      2.00000
    240     -15.4023      2.00000
    241     -15.3900      2.00000
    242     -15.3841      2.00000
    243     -15.3782      2.00000
    244     -15.3673      2.00000
    245     -15.3319      2.00000
    246     -15.3136      2.00000
    247     -15.3052      2.00000
    248     -15.2972      2.00000
    249     -15.2873      2.00000
    250     -15.2788      2.00000
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   1383       4.0438     -0.00000
   1384       4.0656     -0.00000
   1385       4.0898      0.00000
   1386       4.1068      0.00000
   1387       4.1127      0.00000
   1388       4.1284      0.00000
   1389       4.1407      0.00000
   1390       4.1632      0.00000
   1391       4.1779      0.00000
   1392       4.1911      0.00000
   1393       4.2000      0.00000
   1394       4.2071      0.00000
   1395       4.2234      0.00000
   1396       4.2443      0.00000
   1397       4.2493      0.00000
   1398       4.2577      0.00000
   1399       4.2777      0.00000
   1400       4.2820      0.00000
   1401       4.2890      0.00000
   1402       4.3130      0.00000
   1403       4.3178      0.00000
   1404       4.3528      0.00000
   1405       4.3582      0.00000
   1406       4.3782      0.00000
   1407       4.3833      0.00000
   1408       4.3889      0.00000
   1409       4.4110      0.00000
   1410       4.4275      0.00000
   1411       4.4374      0.00000
   1412       4.4567      0.00000
   1413       4.4607      0.00000
   1414       4.4745      0.00000
   1415       4.4906      0.00000
   1416       4.5150      0.00000
   1417       4.5332      0.00000
   1418       4.5490      0.00000
   1419       4.5592      0.00000
   1420       4.5735      0.00000
   1421       4.5806      0.00000
   1422       4.6085      0.00000
   1423       4.6225      0.00000
   1424       4.6310      0.00000
   1425       4.6519      0.00000
   1426       4.6651      0.00000
   1427       4.6782      0.00000
   1428       4.6845      0.00000
   1429       4.6950      0.00000
   1430       4.6952      0.00000
   1431       4.7201      0.00000
   1432       4.7334      0.00000
   1433       4.7510      0.00000
   1434       4.7761      0.00000
   1435       4.7977      0.00000
   1436       4.8252      0.00000
   1437       4.8323      0.00000
   1438       4.8516      0.00000
   1439       4.8768      0.00000
   1440       4.8900      0.00000
   1441       4.8949      0.00000
   1442       4.9090      0.00000
   1443       4.9259      0.00000
   1444       4.9498      0.00000
   1445       4.9672      0.00000
   1446       4.9868      0.00000
   1447       4.9914      0.00000
   1448       5.0022      0.00000
   1449       5.0269      0.00000
   1450       5.0342      0.00000
   1451       5.0544      0.00000
   1452       5.0605      0.00000
   1453       5.0710      0.00000
   1454       5.0961      0.00000
   1455       5.1003      0.00000
   1456       5.1278      0.00000
   1457       5.1476      0.00000
   1458       5.1528      0.00000
   1459       5.1601      0.00000
   1460       5.1672      0.00000
   1461       5.1843      0.00000
   1462       5.1982      0.00000
   1463       5.2076      0.00000
   1464       5.2280      0.00000
   1465       5.2391      0.00000
   1466       5.2576      0.00000
   1467       5.2710      0.00000
   1468       5.2785      0.00000
   1469       5.3025      0.00000
   1470       5.3218      0.00000
   1471       5.3272      0.00000
   1472       5.3355      0.00000
   1473       5.3589      0.00000
   1474       5.3757      0.00000
   1475       5.3781      0.00000
   1476       5.3835      0.00000
   1477       5.4124      0.00000
   1478       5.4197      0.00000
   1479       5.4210      0.00000
   1480       5.4241      0.00000
   1481       5.4309      0.00000
   1482       5.4591      0.00000
   1483       5.4623      0.00000
   1484       5.4743      0.00000
   1485       5.4896      0.00000
   1486       5.4946      0.00000
   1487       5.5082      0.00000
   1488       5.5164      0.00000
   1489       5.5225      0.00000
   1490       5.5265      0.00000
   1491       5.5475      0.00000
   1492       5.5721      0.00000
   1493       5.5817      0.00000
   1494       5.5889      0.00000
   1495       5.6003      0.00000
   1496       5.6140      0.00000
   1497       5.6316      0.00000
   1498       5.6378      0.00000
   1499       5.6438      0.00000
   1500       5.6556      0.00000
   1501       5.6678      0.00000
   1502       5.6804      0.00000
   1503       5.6813      0.00000
   1504       5.6900      0.00000
   1505       5.7141      0.00000
   1506       5.7237      0.00000
   1507       5.7274      0.00000
   1508       5.7365      0.00000
   1509       5.7495      0.00000
   1510       5.7534      0.00000
   1511       5.7616      0.00000
   1512       5.7643      0.00000
   1513       5.7786      0.00000
   1514       5.7877      0.00000
   1515       5.8000      0.00000
   1516       5.8163      0.00000
   1517       5.8191      0.00000
   1518       5.8342      0.00000
   1519       5.8486      0.00000
   1520       5.8612      0.00000
   1521       5.8659      0.00000
   1522       5.8718      0.00000
   1523       5.8776      0.00000
   1524       5.8912      0.00000
   1525       5.8996      0.00000
   1526       5.9092      0.00000
   1527       5.9205      0.00000
   1528       5.9232      0.00000
   1529       5.9430      0.00000
   1530       5.9455      0.00000
   1531       5.9562      0.00000
   1532       5.9685      0.00000
   1533       5.9808      0.00000
   1534       5.9861      0.00000
   1535       5.9949      0.00000
   1536       5.9987      0.00000
   1537       6.0150      0.00000
   1538       6.0234      0.00000
   1539       6.0272      0.00000
   1540       6.0382      0.00000
   1541       6.0449      0.00000
   1542       6.0520      0.00000
   1543       6.0628      0.00000
   1544       6.0707      0.00000
   1545       6.0754      0.00000
   1546       6.0872      0.00000
   1547       6.0989      0.00000
   1548       6.1210      0.00000
   1549       6.1294      0.00000
   1550       6.1301      0.00000
   1551       6.1418      0.00000
   1552       6.1427      0.00000
   1553       6.1653      0.00000
   1554       6.1711      0.00000
   1555       6.1727      0.00000
   1556       6.1830      0.00000
   1557       6.1857      0.00000
   1558       6.1932      0.00000
   1559       6.2112      0.00000
   1560       6.2148      0.00000
   1561       6.2230      0.00000
   1562       6.2309      0.00000
   1563       6.2411      0.00000
   1564       6.2456      0.00000
   1565       6.2498      0.00000
   1566       6.2606      0.00000
   1567       6.2671      0.00000
   1568       6.2729      0.00000
   1569       6.2781      0.00000
   1570       6.2882      0.00000
   1571       6.3054      0.00000
   1572       6.3205      0.00000
   1573       6.3269      0.00000
   1574       6.3380      0.00000
   1575       6.3437      0.00000
   1576       6.3638      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.084  13.406  -0.001   0.001   0.000   0.003  -0.004   0.000
 13.406  17.823  -0.001   0.002   0.000   0.003  -0.006   0.000
 -0.001  -0.001  -4.228   0.003  -0.000   8.267  -0.005   0.000
  0.001   0.002   0.003  -4.227   0.001  -0.005   8.266  -0.001
  0.000   0.000  -0.000   0.001  -4.220   0.000  -0.001   8.256
  0.003   0.003   8.267  -0.005   0.000 -18.296   0.008  -0.000
 -0.004  -0.006  -0.005   8.266  -0.001   0.008 -18.292   0.001
  0.000   0.000   0.000  -0.001   8.256  -0.000   0.001 -18.284
 total augmentation occupancy for first ion, spin component:           1
  8.673  -3.935   0.124   0.140  -0.012   0.014   0.027  -0.003
 -3.935   1.859  -0.061  -0.098   0.003  -0.005  -0.016   0.002
  0.124  -0.061   1.823  -0.055  -0.002   0.174  -0.011  -0.001
  0.140  -0.098  -0.055   1.917  -0.079  -0.011   0.180  -0.011
 -0.012   0.003  -0.002  -0.079   1.229  -0.001  -0.011   0.081
  0.014  -0.005   0.174  -0.011  -0.001   0.018  -0.002  -0.000
  0.027  -0.016  -0.011   0.180  -0.011  -0.002   0.019  -0.001
 -0.003   0.002  -0.001  -0.011   0.081  -0.000  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -57685.44815118355.59759 40894.13496-12667.37706  6512.29585 29322.16369
  Hartree -2392.80459145361.30294 78999.17567-13117.39750  4405.68421 23721.65151
  E(xc)  -10760.24808-10623.24885-10663.59802     2.87832     8.41156    29.18354
  Local   26702.56148************************ 25791.81004-10945.13973-52483.57854
  n-local -5891.97538 -5999.99610 -6073.26130     6.96854    17.71228   -54.46678
  augment  1487.36211  1538.35563  1483.70742     3.15155    13.35656    -2.65778
  Kinetic 45749.96698 43316.52281 43989.62484   -58.45503  -118.80286  -533.40974
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      117.2730838   -382.6826134    114.4527108    -38.4211356   -106.4821311     -1.1140909
  in kB       19.5562254    -63.8153889     19.0859057     -6.4070319    -17.7567477     -0.1857836
  external PRESSURE =      -8.3910859 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.312E+03 -.129E+03 0.257E+03   0.312E+03 0.130E+03 -.258E+03   0.284E+00 -.530E+00 0.177E+01   -.168E-03 -.145E-04 0.857E-04
   -.282E+03 -.154E+03 0.415E+02   0.282E+03 0.155E+03 -.414E+02   -.675E-01 -.127E+01 -.379E+00   -.129E-03 -.170E-04 0.883E-04
   -.237E+03 -.140E+03 -.919E+00   0.237E+03 0.141E+03 0.263E+01   0.163E+00 -.149E+01 -.185E+01   -.146E-03 -.320E-04 0.990E-04
   -.282E+03 -.115E+03 0.361E+03   0.282E+03 0.115E+03 -.364E+03   0.124E-01 0.138E+00 0.247E+01   -.235E-03 -.384E-04 0.701E-04
   -.234E+03 -.162E+03 0.321E+03   0.234E+03 0.163E+03 -.322E+03   0.199E+00 -.789E+00 0.104E+01   -.260E-03 -.457E-04 0.937E-04
   -.205E+03 -.135E+03 0.177E+03   0.205E+03 0.135E+03 -.177E+03   0.298E+00 0.161E+00 0.152E+00   -.203E-03 -.368E-04 0.924E-04
   -.341E+03 -.140E+03 0.183E+03   0.341E+03 0.144E+03 -.185E+03   0.140E+00 -.482E+01 0.484E+00   -.146E-03 0.131E-05 0.849E-04
   -.266E+03 -.118E+03 0.158E+01   0.267E+03 0.122E+03 -.206E+01   -.722E+00 -.426E+01 0.228E+01   -.825E-04 0.455E-06 0.632E-04
   -.144E+03 0.105E+02 0.211E+03   0.144E+03 -.108E+02 -.211E+03   0.196E+00 0.444E-01 0.133E+00   -.203E-03 -.189E-04 0.949E-04
   -.129E+03 0.941E+02 0.748E+02   0.129E+03 -.954E+02 -.737E+02   0.308E+00 0.140E+01 -.104E+01   -.134E-03 -.172E-04 0.862E-04
   -.144E+03 0.141E+03 0.142E+03   0.143E+03 -.142E+03 -.143E+03   0.375E+00 0.983E+00 -.221E-01   -.111E-03 -.126E-04 0.737E-04
   -.155E+03 0.883E+01 0.347E+03   0.155E+03 -.901E+01 -.348E+03   -.246E+00 0.474E+00 0.121E+01   -.279E-03 -.550E-05 0.129E-03
   -.157E+03 -.219E+02 0.383E+03   0.158E+03 0.227E+02 -.385E+03   -.375E+00 -.974E+00 0.245E+01   -.262E-03 -.186E-04 0.154E-03
   -.158E+03 0.537E+02 0.332E+03   0.158E+03 -.539E+02 -.334E+03   0.500E+00 -.218E+00 0.174E+01   -.154E-03 -.101E-05 0.122E-03
   -.180E+03 0.130E+03 0.298E+03   0.180E+03 -.133E+03 -.301E+03   0.704E+00 0.434E+01 0.210E+01   -.121E-03 -.600E-05 0.123E-03
   -.169E+03 0.154E+03 0.950E+02   0.169E+03 -.157E+03 -.968E+02   0.120E+00 0.314E+01 0.377E+01   -.641E-04 -.480E-05 0.316E-05
   -.164E+03 0.126E+03 0.477E+02   0.164E+03 -.120E+03 -.431E+02   -.450E+00 -.426E+01 -.423E+01   -.526E-04 -.141E-04 -.573E-05
   -.885E+02 0.220E+03 -.173E+03   0.881E+02 -.222E+03 0.175E+03   0.607E+00 0.160E+01 -.191E+01   -.664E-04 -.167E-04 -.230E-04
   -.517E+02 0.160E+03 -.210E+03   0.511E+02 -.160E+03 0.213E+03   0.103E+01 -.913E-01 -.241E+01   -.766E-04 0.797E-05 -.165E-04
   -.150E+03 0.130E+03 0.181E+03   0.151E+03 -.129E+03 -.184E+03   -.929E+00 -.529E+00 0.261E+01   -.572E-04 0.106E-04 0.146E-04
   -.893E+02 0.976E+02 0.195E+01   0.883E+02 -.995E+02 -.868E+00   0.103E+01 0.129E+01 -.925E+00   -.365E-04 0.351E-04 -.185E-04
   -.777E+02 0.366E+02 -.157E+03   0.780E+02 -.368E+02 0.158E+03   -.486E-01 0.335E+00 -.618E+00   -.576E-04 0.322E-04 -.229E-04
   -.914E+02 -.270E+02 -.212E+03   0.917E+02 0.272E+02 0.212E+03   -.108E+00 -.361E+00 0.103E+01   -.793E-04 0.494E-04 -.427E-04
   -.591E+02 -.791E+02 -.288E+03   0.601E+02 0.808E+02 0.287E+03   -.111E+01 -.180E+01 0.130E+01   -.123E-03 0.536E-04 -.501E-04
   -.361E+02 -.153E+03 -.391E+03   0.358E+02 0.153E+03 0.393E+03   0.252E+00 -.612E+00 -.137E+01   -.142E-03 0.155E-03 -.551E-04
   -.153E+03 -.166E+03 -.200E+03   0.154E+03 0.166E+03 0.198E+03   -.882E+00 -.411E+00 0.230E+01   -.827E-04 0.761E-04 -.311E-04
   -.120E+03 -.306E+03 -.233E+03   0.121E+03 0.306E+03 0.233E+03   -.762E-01 -.113E+01 0.322E+00   -.139E-03 0.166E-03 0.611E-05
   -.646E+02 -.265E+03 -.342E+03   0.648E+02 0.266E+03 0.343E+03   -.656E-01 -.112E+01 -.571E+00   -.161E-03 0.251E-03 0.677E-05
   -.436E+02 -.168E+02 -.278E+03   0.491E+02 0.257E+02 0.273E+03   -.485E+01 -.877E+01 0.433E+01   -.146E-03 0.407E-04 -.360E-04
   -.927E+02 0.660E+02 0.333E+02   0.896E+02 -.763E+02 -.281E+02   0.377E+01 0.907E+01 -.427E+01   0.131E-04 -.342E-04 -.349E-04
   -.184E+03 -.429E+02 -.676E+02   0.183E+03 0.432E+02 0.694E+02   0.770E-01 0.106E+00 -.178E+01   0.373E-04 -.419E-04 0.789E-04
   -.128E+03 -.169E+03 0.103E+03   0.128E+03 0.171E+03 -.102E+03   -.820E-01 -.138E+01 -.160E+00   0.145E-04 -.164E-04 0.615E-04
   -.156E+03 -.154E+03 0.148E+03   0.155E+03 0.156E+03 -.149E+03   0.155E+00 -.182E+01 0.778E+00   0.748E-05 -.375E-04 0.555E-04
   -.307E+03 0.502E+01 -.165E+03   0.307E+03 -.673E+01 0.168E+03   0.666E+00 0.192E+01 -.293E+01   0.132E-03 -.562E-04 0.894E-04
   -.303E+03 -.707E+02 -.193E+03   0.303E+03 0.708E+02 0.194E+03   0.343E+00 -.901E-01 -.135E+01   0.148E-03 -.704E-04 0.700E-04
   -.230E+03 -.665E+02 -.326E+02   0.230E+03 0.665E+02 0.329E+02   0.181E+00 0.460E-01 -.241E+00   0.563E-04 -.763E-04 0.452E-04
   -.801E+02 -.741E+02 -.277E+02   0.801E+02 0.790E+02 0.302E+02   -.505E-01 -.422E+01 -.273E+01   -.214E-04 -.506E-04 0.118E-03
   -.390E+02 -.167E+03 0.105E+03   0.386E+02 0.171E+03 -.103E+03   0.307E+00 -.329E+01 -.389E+01   -.117E-04 -.245E-06 0.974E-04
   -.195E+03 0.615E+02 -.411E+02   0.195E+03 -.619E+02 0.413E+02   -.180E-02 0.658E-01 -.127E+00   0.304E-04 -.723E-04 0.309E-04
   -.938E+02 0.785E+02 0.162E+03   0.937E+02 -.798E+02 -.164E+03   0.619E-01 0.129E+01 0.179E+01   -.272E-04 -.432E-04 0.320E-04
   -.352E+02 0.993E+02 0.943E+02   0.348E+02 -.101E+03 -.942E+02   -.568E-01 0.173E+01 0.365E+00   -.393E-04 -.464E-04 0.421E-04
   -.224E+03 0.890E+02 -.248E+03   0.224E+03 -.896E+02 0.249E+03   0.112E+00 0.111E+01 -.990E+00   0.705E-04 -.772E-04 0.404E-04
   -.177E+03 0.467E+02 -.321E+03   0.177E+03 -.469E+02 0.323E+03   0.536E-01 0.931E-01 -.238E+01   0.134E-04 -.435E-04 0.222E-04
   -.835E+02 0.777E+02 -.183E+03   0.833E+02 -.790E+02 0.185E+03   -.528E-01 0.814E+00 -.149E+01   -.315E-04 -.343E-04 0.122E-04
   -.223E+02 0.120E+03 -.119E+03   0.214E+02 -.124E+03 0.121E+03   0.598E+00 0.494E+01 -.368E+00   -.545E-04 -.202E-04 0.325E-04
   0.442E+02 0.912E+02 0.136E+03   -.451E+02 -.951E+02 -.136E+03   0.150E+01 0.449E+01 -.227E+01   -.451E-04 -.340E-04 0.111E-03
   0.727E+02 0.618E+02 0.102E+03   -.717E+02 -.559E+02 -.104E+03   -.118E+01 -.584E+01 0.210E+01   -.308E-04 -.199E-04 0.313E-04
   0.263E+02 0.149E+03 0.289E+03   -.254E+02 -.151E+03 -.292E+03   -.127E+01 0.162E+01 0.278E+01   -.279E-04 0.340E-05 0.361E-04
   -.793E+01 0.147E+03 0.240E+03   0.884E+01 -.147E+03 -.242E+03   -.105E+01 -.430E+00 0.212E+01   -.317E-04 0.187E-04 0.418E-04
   0.807E+02 0.832E+02 -.678E+02   -.814E+02 -.834E+02 0.712E+02   0.380E+00 0.341E+00 -.310E+01   -.361E-04 0.375E-05 0.402E-04
   0.409E+02 0.461E+02 -.576E+01   -.402E+02 -.471E+02 0.392E+01   -.879E+00 0.128E+01 0.181E+01   -.361E-04 0.504E-04 0.400E-04
   0.274E+02 0.370E+02 0.951E+02   -.272E+02 -.363E+02 -.957E+02   -.204E+00 -.507E+00 0.102E+01   -.331E-04 0.463E-04 0.237E-04
   -.110E+03 -.218E+02 0.395E+02   0.110E+03 0.218E+02 -.391E+02   -.837E-01 -.241E+00 -.591E+00   -.527E-04 0.368E-04 0.485E-04
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   0.491E+03 -.253E+03 -.209E+03   -.529E+03 0.287E+03 0.206E+03   0.376E+02 -.354E+02 0.390E+01   0.160E-03 -.732E-05 0.261E-03
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   -.464E+03 -.631E+02 0.459E+03   0.485E+03 0.799E+02 -.508E+03   -.211E+02 -.170E+02 0.490E+02   0.214E-03 -.149E-03 -.301E-04
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   0.688E+03 -.204E+03 0.181E+03   -.721E+03 0.230E+03 -.150E+03   0.335E+02 -.259E+02 -.311E+02   0.260E-03 0.216E-04 0.377E-04
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   0.861E+03 0.812E+02 0.511E+03   -.891E+03 -.912E+02 -.560E+03   0.302E+02 0.101E+02 0.487E+02   0.336E-03 0.124E-05 0.255E-04
   0.227E+03 -.101E+03 -.420E+03   -.213E+03 0.107E+03 0.473E+03   -.152E+02 -.640E+01 -.533E+02   0.106E-03 0.136E-03 -.348E-04
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   0.139E+02 -.403E+03 0.152E+02   -.447E+02 0.436E+03 0.121E+02   0.312E+02 -.334E+02 -.273E+02   0.201E-04 0.120E-03 -.240E-04
   -.225E+03 0.327E+02 0.755E+02   0.244E+03 -.678E+02 -.325E+02   -.185E+02 0.350E+02 -.423E+02   0.110E-03 0.601E-04 -.192E-04
   0.753E+03 -.416E+02 0.685E+02   -.778E+03 0.632E+02 -.117E+03   0.233E+02 -.214E+02 0.491E+02   0.116E-03 0.365E-04 -.119E-03
   -.635E+02 0.338E+03 0.693E+02   0.108E+03 -.366E+03 -.793E+02   -.454E+02 0.282E+02 0.828E+01   0.853E-04 0.931E-04 -.152E-03
   0.906E+03 0.292E+03 0.132E+03   -.945E+03 -.324E+03 -.118E+03   0.381E+02 0.326E+02 -.137E+02   0.180E-03 0.208E-04 -.120E-03
   0.822E+03 -.104E+03 -.572E+03   -.830E+03 0.115E+03 0.621E+03   0.678E+01 -.112E+02 -.494E+02   0.626E-03 0.124E-03 -.154E-03
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   0.219E+03 -.543E+03 -.201E+03   -.244E+03 0.573E+03 0.230E+03   0.259E+02 -.307E+02 -.308E+02   0.756E-04 -.118E-04 0.555E-04
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   0.152E+03 -.508E+03 -.973E+02   -.182E+03 0.535E+03 0.127E+03   0.312E+02 -.266E+02 -.302E+02   0.140E-03 0.550E-04 0.336E-04
   -.332E+03 -.107E+03 -.148E+02   0.368E+03 0.845E+02 0.510E+02   -.355E+02 0.229E+02 -.362E+02   0.112E-03 -.224E-04 -.959E-05
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   -.240E+03 0.169E+03 0.669E+03   0.279E+03 -.190E+03 -.692E+03   -.396E+02 0.219E+02 0.218E+02   0.200E-03 0.155E-03 0.362E-03
   0.129E+03 0.395E+03 0.301E+03   -.160E+03 -.427E+03 -.281E+03   0.311E+02 0.330E+02 -.200E+02   -.275E-04 0.712E-04 0.233E-03
 -----------------------------------------------------------------------------------------------
   0.132E+01 -.199E+02 0.503E+01   -.148E-11 -.369E-11 -.216E-11   -.134E+01 0.199E+02 -.503E+01   0.723E-02 0.410E-02 0.800E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.73978      3.15640      1.41117         0.433502      0.365743      0.333009
     12.58467      3.59203      2.72201         0.313911      0.459271     -0.325341
     12.57487      4.97765      3.02093         0.166563     -0.460599     -0.136559
     12.84576      4.06697      0.37197         0.202876      0.245472      0.112039
     12.86710      5.42992      0.68090         0.107052     -0.257618      0.121376
     12.74742      5.93825      1.99580         0.166136      0.459439     -0.077786
     12.77601      1.69502      1.40812         0.582649     -1.225758     -1.237855
     12.37127      2.36880      3.54163        -0.070618     -0.599468      1.797523
     12.84557      7.45763      2.22661         0.224105     -0.313298     -0.191543
     12.76484      8.07713      3.49498         0.265803      0.066610      0.095288
     13.04357      9.44935      3.66374         0.156854     -0.486441     -0.553178
     13.13822      8.32698      1.14258         0.016798      0.298821      0.260804
     13.32913      9.70958      1.28585        -0.066302     -0.183798      0.268039
     13.27804     10.26210      2.56646         0.470140     -0.482670     -0.040130
     13.52539     11.63228      3.05597         0.351795      1.435032     -1.241376
     13.16390     10.29660      4.86804        -0.058204     -0.011945      1.954017
     13.56499     12.77974      5.30952         0.355916      1.121760      0.440108
     13.22237     12.72372      6.65976         0.226318      0.056704      0.082448
     13.27366     13.85498      7.46226         0.448886     -0.458461     -0.196395
     13.86824     14.09694      4.87046         0.297403      0.309985     -0.274630
     13.90509     15.25135      5.69358         0.062223     -0.659406      0.155645
     13.62929     15.15363      7.09030         0.324588      0.205923     -0.015733
     13.68480     16.27491      8.10220         0.153736     -0.192983      0.336358
     13.19842     16.19915      9.44548        -0.120523     -0.120203      0.277177
     13.35625     17.27266     10.32639        -0.069619     -0.050074      0.330010
     14.23448     17.53830      7.81070         0.187015     -0.114781      0.168167
     14.33241     18.62684      8.65349         0.029395     -0.287358      0.200207
     13.91746     18.48982      9.95994         0.098583     -0.032368      0.028220
     12.49533     14.99279     10.04246         0.607346      0.126616     -0.582377
     14.34673     16.55216      5.05675         0.762650     -1.254155      0.946060
      9.69491      3.83165      4.80837        -0.030108      0.391943      0.051225
      9.89038      4.77088      3.81335        -0.309678      0.283178      0.418065
     10.01833      6.12977      4.14663        -0.104151     -0.164905     -0.181022
      9.59362      4.20967      6.13205         0.153169      0.202645     -0.067605
      9.69247      5.55572      6.46288         0.105375      0.003594     -0.179313
      9.94007      6.55839      5.49062        -0.108662      0.040427      0.097294
      9.59795      2.49228      4.22805        -0.012847      0.702174     -0.290410
      9.94526      4.03272      2.53129        -0.123387      0.450824     -1.431907
     10.07255      8.00682      5.88511        -0.158503     -0.381040      0.121048
     10.33305      8.99491      4.92221        -0.066113      0.055667     -0.185772
     10.40097     10.33325      5.26706        -0.423301     -0.071667      0.498760
      9.91445      8.43765      7.22254        -0.032913      0.426824     -0.083248
     10.03261      9.78968      7.59133        -0.059914     -0.090952     -0.299843
     10.27441     10.72915      6.59072        -0.246754     -0.444996     -0.032893
     10.43463     12.18403      6.63871        -0.363563      0.622428      1.219410
     10.67600     11.54192      4.47605         0.586938      0.621013     -2.337014
     10.98473     14.04010      4.98068        -0.165409      0.114944     -0.157626
     11.45295     14.38580      3.70448        -0.374945      0.226238      0.265439
     11.75636     15.71330      3.42630        -0.149699     -0.100490      0.321376
     10.93490     15.11053      5.89761        -0.283832      0.132428      0.318118
     11.17879     16.46368      5.57649        -0.144679      0.244416     -0.025380
     11.59621     16.83792      4.24817        -0.055816      0.257187      0.423142
     12.01850     18.24114      3.78534        -0.147028     -0.235414     -0.147632
     12.49169     18.58775      2.48890         0.271304      0.040153     -0.317024
     12.62173     19.96943      2.16681        -0.045266     -0.171056     -0.324442
     11.88112     19.35757      4.63142         0.225156     -0.088140     -0.152509
     12.03562     20.70219      4.35586         0.310767     -0.216369     -0.163458
     12.40772     21.05870      3.05944         0.233964     -0.026010      0.181203
     12.75714     17.53181      1.28763        -0.340485      1.299432      0.907247
     10.91778     17.47479      6.73158         0.294732      0.068110     -1.045577
     10.05878      7.15830     14.58767         0.374126      0.765442      0.288711
      9.94554      7.60065     15.90182         0.311751      0.650531     -0.544247
      9.94493      8.99137     16.19205         0.409998     -0.969846      0.059070
     10.14210      8.08792     13.54210         0.080319     -0.356583      0.348835
     10.17274      9.44327     13.85309         0.274481      0.274502      0.565206
     10.10414      9.95634     15.18354         0.316768      0.455065     -0.258647
      9.95226      5.71109     14.60415         0.424912     -3.085799     -2.409976
      9.67107      6.39279     16.72533         0.074662     -0.264895      2.169565
     10.20322     11.47288     15.48169         0.252981     -0.204273     -0.145064
     10.13540     12.03849     16.78543         0.213352      0.130566      0.023066
     10.31725     13.42784     17.00875         0.204083     -0.446087     -0.462659
     10.44600     12.39977     14.42872         0.090644      0.112917      0.301425
     10.59847     13.77794     14.63525         0.001724     -0.256491      0.166129
     10.51447     14.28036     15.93413         0.396505     -0.446809     -0.008280
     10.63360     15.66113     16.44099         0.329697      0.766165     -1.118639
     10.28228     14.28268     18.23915         0.068806     -0.420244      1.259659
     10.46499     16.83118     18.67813         0.224168      0.613234      0.332722
     10.13447     16.78215     20.03216         0.149273      0.099560     -0.233873
      9.99869     17.95653     20.76269         0.145613     -0.212880     -0.208072
     10.65926     18.16762     18.23121         0.549859      0.549703     -0.299336
     10.62403     19.35191     19.01981         0.573569     -0.217927     -0.083169
     10.27981     19.28528     20.40770         0.163137      0.300090      0.049694
     10.20327     20.44491      0.16281        -0.199051     -0.442012     -0.329810
      9.75143     20.35361      1.52071         0.193282      0.266467     -0.094559
      9.70780      0.21771      2.34897        -0.385509     -0.156848      0.557438
     10.53648      0.51331     21.10574        -0.149450      0.135193      0.212867
     10.29402      1.66507      0.59629        -0.061087     -0.346643     -0.013799
      9.89431      1.55857      1.92162        -0.309322     -0.878591     -0.340168
      9.41809     19.05953      2.20690        -1.262512      0.377652     -0.591689
     10.96943     20.70307     18.35329         0.598680     -1.480984      0.991069
      7.07717      7.60855     17.53783        -0.009552      0.288585     -0.083969
      7.26992      8.55214     16.54921        -0.602218      0.369265      0.300144
      7.43784      9.91509     16.87484        -0.311800     -0.301051     -0.143001
      7.06526      7.98344     18.87423         0.105766      0.381241      0.022642
      7.12069      9.34458     19.18686         0.014841     -0.102842     -0.267044
      7.31423     10.35931     18.20458        -0.134407      0.260874      0.232580
      6.92977      6.28440     16.90549        -0.134966     -0.773447      0.694294
      7.25745      7.81813     15.25594         0.489708      0.945064     -2.083049
      7.34644     11.83713     18.60005        -0.182660     -0.352566      0.015726
      7.58413     12.90226     17.69993        -0.198985      0.230163     -0.066777
      7.54474     14.24155     18.12132        -0.437709     -0.424667      0.162552
      7.07955     12.21755     19.92980         0.059561      0.179064     -0.231749
      7.05535     13.55022     20.34898         0.123487     -0.089213     -0.068354
      7.28387     14.56551     19.44264        -0.134169     -0.363483     -0.172617
      7.33773     16.02290     19.60273        -0.433048      1.122640      0.961413
      7.80284     15.51421     17.43402         0.299460      0.986129     -2.388520
      7.81332     18.01523     18.07002        -0.210995     -0.008614     -0.048837
      8.42767     18.42567     16.88649        -0.330775      0.458650      0.029320
      8.70223     19.77275     16.67485        -0.193108     -0.087082      0.347300
      7.53800     19.06314     18.98426        -0.436707      0.309846     -0.017498
      7.67395     20.44146     18.66415        -0.454278      0.048829      0.249711
      8.24651     20.87616     17.42090        -0.293002      0.229962      0.283038
      8.58432      1.07232     17.00653         0.161722     -0.359822      0.054597
      8.99772      1.40157     15.70041         0.231243     -0.378671     -0.168375
      9.31339      2.76626     15.36890         0.325604     -0.372321     -0.090444
      8.62520      2.18426     17.89510         0.127192      0.110358     -0.422615
      8.93545      3.50710     17.59735         0.127918     -0.381218     -0.325928
      9.31293      3.85485     16.28979         0.329634     -0.529063     -0.154121
      9.17745      0.26964     14.57743         1.232125      2.509506     -0.421573
      7.21040      0.19052     19.75700         0.413914     -0.039559     -1.129050
      7.02699     10.84595      6.12220        -0.113897      0.222417      0.109778
      6.84001     11.32399      7.41041         0.006641      0.356572     -0.228891
      6.96370     12.69068      7.70957        -0.088011     -0.304497     -0.066584
      7.37141     11.70806      5.09395        -0.109416      0.243416      0.164020
      7.50179     13.06851      5.39504        -0.159382     -0.088207      0.152516
      7.28804     13.61467      6.68863        -0.042662      0.282058     -0.063408
      6.87138      9.38372      6.13377        -0.060281     -0.498816      0.123467
      6.56243     10.14222      8.26265        -0.113392     -0.570766      1.055434
      7.39804     15.11736      6.92456        -0.103299     -0.170788     -0.111493
      7.12323     15.74813      8.16075         0.035467      0.361629      0.066897
      7.25126     17.15084      8.29128        -0.071448     -0.400367     -0.372133
      7.77260     15.98026      5.86404        -0.244038      0.156433      0.124029
      7.83770     17.36850      5.98038        -0.349804     -0.251561      0.038278
      7.59159     17.95324      7.21551        -0.294746     -0.243535      0.016146
      7.72077     19.35573      7.67931         0.085614      0.644488     -0.090244
      7.12352     18.04920      9.45688         0.002686      0.062094      1.119624
      7.44790     20.57357      9.88979         0.203968      0.328499      0.401397
      7.00971     20.54444     11.21175         0.087354      0.269492      0.233543
      6.86311      0.44190     11.95960         0.109767      0.069679     -0.057731
      7.80291      0.62340      9.49502         0.563311      0.347328     -0.078317
      7.82879      1.76344     10.36093         0.388496     -0.059682      0.012088
      7.33480      1.74019     11.69918         0.522258      0.222535      0.061860
      7.32664      2.90077     12.75920         0.248695     -0.134471     -0.413216
      6.85565      2.88515     14.10590         0.640272      1.274230     -0.238551
      6.81287      4.00203     14.94681        -0.112625      0.326380      0.450956
      7.78566      4.20040     12.50749        -0.100106     -0.231359     -0.350422
      7.61185      5.35727     13.27223         0.580764      0.239317      0.321467
      7.14791      5.33546     14.57488        -0.409168     -1.064282     -0.018042
      6.26791      1.72073     14.68768        -0.144714     -2.120271      0.704349
      8.40380      3.03871      9.78488         0.152806     -0.771737      1.350086
      4.02502     11.50204     10.77112         0.009569      0.278257     -0.075796
      3.74994     12.38794      9.73701         0.117933      0.215879      0.309584
      3.82329     13.77344      9.93930        -0.021350     -0.353092     -0.164569
      4.36648     11.97493     12.03102        -0.019634      0.297076     -0.118045
      4.41964     13.36065     12.23457         0.025951     -0.251691     -0.143989
      4.16498     14.29915     11.20659         0.045340      0.052535      0.025146
      3.86541     10.12986     10.26623         0.182901     -1.022529      0.538051
      3.39013     11.56954      8.54786        -0.192655      0.192495     -0.885570
      4.26896     15.78105     11.45283         0.062432      0.200794     -0.038740
      4.11429     16.72654     10.40517        -0.067824     -0.196047     -0.434431
      4.20538     18.09704     10.64014        -0.053097      0.200836      0.190906
      4.57485     16.30616     12.73873         0.061190     -0.111110     -0.236020
      4.73816     17.67449     12.95876        -0.021724     -0.248699     -0.422989
      4.50187     18.54997     11.90751        -0.145026      0.098873      0.471858
      4.51754     20.03584     11.96800        -1.012894     -5.757890     -8.541425
      4.24819     19.28793      9.73433        -0.009860      0.848722      0.124705
      4.61598      0.61123     10.13036        -0.369389     -0.132319     -0.324382
      4.90885      0.93803      8.79749        -0.204391      0.265208      0.378029
      5.22282      2.25933      8.46142        -0.044571     -0.301676      0.346292
      4.59960      1.74441     10.98240        -0.352749      0.298234      0.433490
      4.85425      3.10282     10.61608        -0.160960      0.017616     -0.033054
      5.31605      3.40104      9.28195        -0.335415      0.324077      0.353356
      5.83770      4.79771      8.73698         0.176883      0.008751     -0.395091
      6.24818      5.09917      7.39676         0.408664     -0.071232     -0.064119
      6.51436      6.44973      7.04072         0.239479     -0.179129     -0.331990
      5.84026      5.96618      9.52331        -0.064144      0.076539     -0.040277
      6.08325      7.29556      9.19664         0.046665     -0.862328     -0.117013
      6.40426      7.58197      7.88082         0.304486      0.187449     -0.175624
      6.34083      3.99411      6.27128        -0.231687      0.291874      0.949217
      4.69575      4.14138     11.78026         0.124470      0.115832     -1.455545
      1.32527     14.34810      0.67383        -0.407802      0.479036      0.693522
      1.83258     14.75751      1.90024        -0.301398      0.495773      0.028000
      1.73666     16.14629      2.24543        -0.036277     -0.694181     -0.032728
      0.79877     15.24885     21.02033        -0.213327      0.565592      0.058496
      0.80837     16.60600      0.05950         0.087485     -0.549313      0.351398
      1.22085     17.10779      1.31596        -0.281583      0.213040      0.266415
      1.40301     12.90912      0.58728        -1.053482     -1.368169     -0.869754
      2.43197     13.48333      2.52641         0.363392      0.442962      1.488847
      1.07322     18.62283      1.53486        -0.226933     -0.257531     -0.053777
      1.41658     19.29568      2.73038        -0.148413      0.301096      0.112976
      1.26231     20.69394      2.82355        -0.290273     -0.536971     -0.380979
      0.55804     19.44916      0.48474         0.035742     -0.107267      0.413687
      0.39300     20.82839      0.58737        -0.071107     -0.355393     -0.097987
      0.74498      0.17799      1.76898        -0.032268     -0.358391      0.301027
      0.78044      1.59946      2.10747        -0.211569      0.670348     -0.028959
      1.63492      0.39756      3.87990         0.318536     -0.108925      0.974755
      1.52229      2.92989      4.08382        -0.177973      0.736138      0.227839
      2.06377      2.91869      5.34896        -0.040697     -0.024085      0.032069
      2.22473      4.10781      6.01160        -0.153073     -0.015589      0.234071
      1.15883      4.22651      3.63090        -0.368979      0.199976     -0.297681
      1.35608      5.43248      4.34054        -0.054164     -0.291420      0.180841
      1.97817      5.43552      5.62174        -0.293555      0.312496      0.213761
      2.31175      6.66100      6.50080        -0.461185      0.200837     -0.494500
      2.89606      6.58195      7.77027        -0.592768      1.351703     -0.349492
      3.31387      7.72368      8.50109        -0.184569     -0.148393      0.666778
      2.17230      8.02887      6.12101         0.069447     -0.196320     -0.104952
      2.60665      9.16524      6.80229        -0.133085     -0.736048     -0.033399
      3.17467      9.06296      8.08023        -0.306319     -0.604973     -0.164337
      3.10253      5.28290      8.38046        -0.825329     -0.182550      1.558389
      0.82511      6.71567      3.72086        -0.476050     -1.538939      1.133378
      4.62722     14.05331      0.74429         0.140859      0.260200     -0.256417
      3.93258     14.97189     -0.03271         0.369780      0.334689     -0.093387
      3.94512     16.36044      0.33717         0.123553     -0.582187     -0.373720
      5.39452     14.49908      1.82001        -0.064103      0.367567     -0.025452
      5.41984     15.86232      2.14975        -0.158956     -0.200541     -0.314228
      4.68472     16.85512      1.44812         0.129671      0.432647      0.072879
      4.47524     12.69467      0.16146         0.596415     -0.934688      0.494885
      3.31823     14.13196     20.09404        -1.175396      1.269835     -1.308104
      4.75700     18.36949      1.90390         0.056466     -0.470957     -0.218041
      4.07326     19.45057      1.28011         0.166725      0.420291      0.083976
      4.20924     20.79070      1.74577         0.124363     -0.452301     -0.079474
      5.58412     18.74706      2.99954        -0.169876      0.145942     -0.135727
      5.72969     20.06476      3.45888        -0.122432     -0.348015     -0.130528
      5.01753     21.07620      2.83147         0.071619     -0.168205     -0.112642
      5.00184      1.27481      3.09035         0.114300      0.190803     -0.036738
      3.64613      0.85781      1.30477        -0.558244      0.258889     -1.037864
      3.82402      3.32862      2.13769         0.140865      0.418113      0.041655
      2.95720      3.91867      1.21459         0.338878     -0.081815     -0.292541
      2.70381      5.28829      1.20453         0.414303     -0.141258      0.195766
      4.27476      4.28755      3.07919         0.379516      0.207215     -0.085245
      4.07341      5.70167      2.98116        -0.023071     -0.130746     -0.048780
      3.35116      6.33764      1.95067         0.069192     -0.015127     -0.010245
      3.22370      7.96712      1.79357        -0.460609      0.296376      0.480595
      2.29485      8.60810      0.93903        -0.649572      0.138971     -0.116390
      2.06548      9.98778      0.79007        -0.517321     -0.317396     -0.118687
      3.69057      8.99158      2.66460        -0.108023      0.044800     -0.060360
      3.34136     10.35389      2.69544        -0.190189     -0.716752     -0.823762
      2.54209     10.93905      1.71052        -0.167882      0.473009      0.195136
      1.66549      7.66323     21.23283         0.448888     -0.427366      1.222353
      4.69779      6.54586      4.06672        -0.025143     -0.515692     -1.824757
     18.32342     17.31282     13.32161        -0.129926      0.430819      0.427687
     19.36496     17.80824     14.09905        -0.605286      0.291057      0.026207
     19.54673     19.18565     14.25317         0.179473     -0.082884      0.198413
     17.43782     18.19126     12.69063         0.240608     -0.014525      0.357539
     17.62471     19.56809     12.87381         0.050091     -0.311796      0.122197
     18.67467     20.10873     13.65671        -0.271235      0.348144     -0.086361
     18.37932     15.84072     13.39268        -1.850613     -0.932765     -0.409979
     20.12723     16.65485     14.60730         1.306056     -0.450966      1.360778
     18.81194      0.34714     13.86822        -0.166830     -0.152731      0.041381
     19.85976      0.92790     14.62013        -0.112107      0.293051      0.262138
     19.83378      2.30036     14.92873        -0.423823     -0.177776     -0.156214
     17.80751      1.23500     13.41225         0.077851      0.198599      0.028181
     17.80033      2.60725     13.68501         0.259862      0.056785      0.118831
     18.83598      3.13917     14.44944        -0.208894     -0.438576      0.159439
     19.04307      4.50150     14.99576        -0.092008      0.400789      0.124589
     20.65207      3.12101     15.83717         1.491009      0.256607      1.669446
     20.76133      5.60622     16.55268        -0.009904      0.319312      0.256725
      0.80629      5.57604     17.09650        -0.447590     -0.187608     -0.219464
      1.44023      6.75841     17.41591         1.488930      0.252138     -0.141702
     20.23725      6.91984     16.51591        -0.221088      0.288884      0.612421
     20.83695      8.06604     17.16713        -1.008170     -0.152198     -0.139803
      0.89599      8.04081     17.65847        -0.122139      0.361784      0.599452
      1.69042      9.20536     18.35645         0.654115      0.344594     -0.204311
      3.01894      9.13567     18.96704        -0.424521     -0.096934     -0.137697
      3.61386     10.25865     19.60604        -0.530938     -0.147506     -0.249919
      1.15718     10.47707     18.59315         0.009808     -1.523840     -0.269738
      1.80235     11.61881     19.04209         0.023586      0.527089      0.011322
      3.05616     11.59221     19.59216         1.010781     -0.720216      0.390094
      3.80711      7.81456     18.95201         1.194568      2.005363     -0.280620
     19.94455      9.29634     17.28232        -0.014650     -0.156814      0.328959
      2.02662     18.12320     14.14252         0.153263      0.560324     -0.332800
      1.26789     19.07769     13.47901         0.386964      0.474779      0.574278
      1.42578     20.43002     13.79868        -0.231911      0.183487     -0.213433
      3.06492     18.52574     14.99109        -0.521011      0.288821     -0.121006
      3.31079     19.89422     15.17715        -0.552114     -0.265916      0.096520
      2.44199     20.89550     14.65568         0.030634      0.021241      0.376387
      1.64253     16.81078     13.61802         1.063278     -1.341780      0.632320
      0.35476     18.39919     12.53774        -0.683876      0.463929     -1.013818
      2.61180      1.10776     14.96851         0.078198     -0.202272      0.300456
      1.84139      2.09867     14.34378        -0.522867      0.124668     -0.137429
      2.06724      3.46016     14.56987         0.613701     -0.618870      0.342002
      3.60898      1.56371     15.86860        -0.483973      0.047394      0.006586
      3.85650      2.92055     16.11649        -0.452762      0.178779     -0.140345
      3.06395      3.85294     15.44899         0.083272     -0.672161     -0.172540
      3.08138      5.31295     15.51978        -1.522877     -1.734719     -1.965167
      1.34627      4.66329     14.17552        -1.929469      1.227948     -1.491714
      1.48687      7.19270     14.74672         0.101341      0.362348     -0.465412
      0.21978      7.51958     14.22110         0.869200      0.114478     -0.167777
     21.03802      8.84187     14.21311         0.199782      0.053804      0.056710
      2.12055      8.31861     15.35859         0.544023      0.194347     -0.075739
      1.65612      9.66101     15.32927         0.108206      0.156460     -0.521122
      0.41028      9.99561     14.69945         0.175566      0.126726      0.047565
     20.95696     11.35998     14.67037         0.049923     -0.241511     -0.122662
     19.64663     11.60336     14.14239        -0.334173      0.020716      0.135447
     19.22069     12.94443     14.00175        -0.573699     -0.018489     -0.268052
      0.34509     12.55173     15.05938        -0.191276     -0.229130     -0.024076
     -0.08902     13.86080     15.00695        -0.604637     -0.125587     -0.023558
     19.92563     14.10724     14.41562        -0.029392     -0.288947      0.358708
     18.64678     10.50103     13.54797         0.953379      0.921333      0.018916
      2.53430     10.73231     15.97887        -0.561918     -0.093864     -0.763297
     16.16553      0.41889      5.13152        -0.102885      0.307329      0.310186
     17.00128      0.91340      6.11962        -0.328922      0.233691      0.107076
     17.07283      2.29208      6.40440        -0.152586     -0.458933      0.161482
     15.29310      1.27606      4.48728         0.072012      0.118715      0.103579
     15.34238      2.64036      4.78948         0.134837     -0.145864      0.129679
     16.24808      3.20934      5.71348        -0.141089      0.172750      0.079051
     16.41805     20.23719      4.96217        -0.468329     -0.804477     -0.667036
     17.70775     20.99378      6.67957         1.041390     -0.194924      1.310085
     16.28376      4.71199      5.96324        -0.093013     -0.145278     -0.026940
     17.16694      5.32026      6.88451        -0.048443      0.308353      0.200355
     17.13219      6.71032      7.10885        -0.320204     -0.329988     -0.197764
     15.39554      5.59239      5.29370         0.151129      0.157028      0.152085
     15.36691      6.97672      5.50733         0.191427     -0.293622      0.015927
     16.25431      7.53293      6.41741         0.103021     -0.232009      0.020804
     16.45330      8.92829      6.86566        -0.164938      0.615994      0.006698
     17.82895      7.56724      8.09958         0.172658      0.049950      0.627687
     17.90557     10.09090      8.58331        -0.012577      0.420290      0.341853
     18.91638      9.99363      9.52810         0.003778      0.064995      0.077740
     19.46273     11.11945     10.11795        -0.312815     -0.027222     -0.083840
     17.48925     11.43009      8.36709        -0.405869      0.341357      0.089470
     17.97460     12.55676      9.08091        -0.249937      0.093664     -0.101271
     19.04164     12.45380     10.04452        -0.236321      0.285852      0.053526
     19.73278     13.58071     10.84299         0.024000     -0.045875     -0.171328
     20.95970     13.50560     11.60823        -0.579174      0.224403     -0.429131
      0.32231     14.62218     12.13980         0.478063     -0.211174      0.425517
     19.26886     14.90736     10.84042         0.223420      0.064986     -0.029184
     19.91336     16.04858     11.35002         0.469765     -0.030731      0.056586
     21.13870     15.95750     12.01694         0.083419     -1.265139     -0.312975
      0.42010     12.22543     11.86373         0.227107      0.568356     -0.308934
     17.31010     13.89594      8.73318        -0.062184     -0.985129      1.047138
     20.26299      1.26501      6.17736         0.101386      0.290633     -0.188574
     19.71037      2.32202      5.45480         0.325316     -0.002312     -0.044970
     19.80862      3.63052      5.89526        -0.021773     -0.023598     -0.346800
     20.83109      1.49734      7.42192         0.026407      0.401507     -0.186628
     20.92649      2.81919      7.86522        -0.080944     -0.116034     -0.210839
     20.45318      3.92252      7.10885         0.113419     -0.083370      0.193021
     20.02394      0.02698      5.41097         0.366888     -1.285864      0.214171
     18.99713      1.75106      4.27654        -0.021000      0.137625     -0.517055
     20.63283      5.33489      7.53794        -0.144171      0.418677      0.059391
     20.23323      6.37940      6.67821        -0.447939      0.172139     -0.271469
     20.46473      7.70884      7.02180        -0.097498      0.102747     -0.005669
     -0.05140      5.71512      8.77293        -0.242029      0.282728      0.044925
      0.21743      7.05190      9.10792        -0.211437     -0.437912     -0.172996
     21.10682      8.03660      8.20190         0.003589     -0.746145     -0.033462
     -0.02134      9.47841      8.31391        -1.624993     -1.081103     -2.909954
     20.05950      8.98405      6.35284         0.163793      0.436308      0.351522
     20.29242     11.48294      6.96748         0.253043      0.142814     -0.142471
     19.47156     11.89722      5.91347         0.392188      0.252568      0.167110
     19.19243     13.24512      5.72136         0.113530     -0.344586     -0.009761
     20.81021     12.56559      7.73188         0.469220      0.366583      0.156649
     20.58034     13.94344      7.45875         0.131506      0.082519     -0.154552
     19.67485     14.35759      6.42095         0.331136      0.325784      0.252319
     19.15211     15.78360      6.16069        -0.007049     -0.146363     -0.332728
     18.25805     16.17337      5.12118         0.025685      0.223558     -0.443628
     17.77594     17.49417      5.01287        -0.109365      0.067847     -0.427912
     19.42563     16.89473      6.98626         0.098525     -0.034363     -0.199520
     18.92000     18.18086      6.93946         0.082087     -0.154950     -0.143883
     18.01860     18.52697      5.93928         0.092424     -0.078420      0.037048
     17.75243     15.21430      4.05067         0.502047     -0.090444      0.429207
      0.06128     14.99265      8.31182        -0.367847     -0.516364     -1.017676
     12.31589      5.29539      4.01371         0.332364      0.088426      0.606848
     12.91328      3.73957     20.59975         0.093609     -0.103138     -0.219001
     13.00358      6.10604     21.11173        -0.064192      0.258722     -0.298607
     12.45723      7.49024      4.34594         0.183465     -0.239380      0.468447
     13.24987      7.93060      0.14580        -0.013160     -0.139351     -0.340886
     13.55065     10.32277      0.41924         0.010608      0.151316     -0.162736
     13.04274     13.60092      8.46444         0.009663     -0.008539      0.157894
     12.80046     11.84889      7.13886         0.477547     -0.341390     -0.106720
     13.96997     14.27802      3.80794         0.471255     -0.194130     -0.070962
     13.01962     17.13481     11.34654        -0.148089      0.030221      0.230961
     14.48285     17.81986      6.82629         0.620285     -0.189349      0.006351
     14.69036     19.55825      8.21711         0.123179      0.148683      0.231391
     10.22199      6.83922      3.35915        -0.126302      0.242523     -0.340362
      9.37650      3.46358      6.86918         0.238577     -0.101683      0.138596
      9.53478      5.82299      7.50023         0.116881      0.100727      0.240942
     10.59801      8.70065      3.92612        -0.416158     -0.003929     -0.651621
      9.64031      7.73505      8.00068         0.081572     -0.196304      0.144436
      9.89067     10.09381      8.62516         0.055459      0.052681      0.145910
     12.29668     15.78020      2.52150         0.127771      0.123577     -0.371444
     11.75278     13.67471      2.94138        -0.350560     -0.190030      0.095279
     10.79270     14.87692      6.94337        -0.434472     -0.048932      0.057551
     12.65497     20.20736      1.11644         0.718296      0.087436     -0.248935
     11.70599     19.22280      5.66096        -0.282116     -0.138484      0.344662
     11.82088      0.12833      5.17658         0.191193      0.181644     -0.321350
      9.74012      9.30049     17.19561         0.273428      0.104055      0.760232
     10.10867      7.77269     12.50639         0.180002     -0.127109     -0.228699
     10.27703     10.13070     13.03147        -0.080488      0.312934     -0.393360
      9.84971     11.41000     17.61489         0.246505     -0.237532      0.440169
     10.55508     12.04501     13.41266        -0.018722     -0.104628     -0.277961
     10.81558     14.43346     13.79998        -0.050068      0.172223     -0.207588
      9.77032     17.69278      0.49378        -0.578896      0.064796      0.138026
      9.96523     15.86880     20.59518         0.016388     -0.178820     -0.299457
     10.75220     18.34174     17.17397         0.665484     -0.144503     -0.282221
      9.65777      0.00850      3.41573        -0.583334      0.230838     -0.184488
     10.93545      0.78109     20.16005         0.502931     -0.081637      0.203956
     10.55078      2.59731      0.11650        -0.186389      0.343442      0.083779
      7.77220     10.59358     16.11102        -0.350087      0.415756     -0.515716
      6.91619      7.24532     19.65059         0.146152     -0.145581      0.156096
      6.94383      9.61315     20.22095         0.208461      0.077694      0.254224
      7.89540     12.67665     16.69819        -0.324622      0.041151     -0.659172
      6.79793     11.48129     20.66423         0.139236     -0.280539      0.240187
      6.79855     13.79446      0.10279         0.269157      0.006759      0.421458
      9.51986     19.86856     15.99471        -0.261878      0.202526     -0.335449
      8.89304     17.76185     16.16809        -0.282537     -0.316753      0.071916
      7.24091     18.82714     19.99552        -0.319990     -0.168431      0.111471
      9.45342      3.01421     14.32611         0.498144     -0.136856     -0.124873
      8.54336      2.05799     18.94678        -0.427426     -0.263639      0.486952
      8.82655      4.21853     18.40528         0.306265      0.214340      0.002764
      6.81157     13.02625      8.72321        -0.049680      0.084393      0.436156
      7.54728     11.33712      4.09062         0.016440     -0.054472     -0.250413
      7.79475     13.71065      4.57821         0.035183      0.285002     -0.236466
      6.81500     15.15693      9.01104        -0.041451     -0.116488      0.390930
      8.05010     15.57504      4.90356         0.033528     -0.212181     -0.324018
      8.18045     17.96685      5.15184        -0.169853      0.110872     -0.336100
      6.21087      0.27400     12.77973         0.223185      0.048658      0.175387
      6.60127     19.65886     11.67626         0.359674     -0.420020     -0.123011
      8.10177      0.79470      8.47428         0.181282     -0.024267     -0.306067
      6.62641      3.76765     15.98687        -0.349637      0.308746      0.009400
      8.06172      4.46524     11.51834         0.690740      0.064091      0.196338
      7.94523      6.24554     12.77245        -0.047178      0.678208     -0.009000
      3.59427     14.44161      9.12571        -0.118169      0.180524     -0.411919
      4.56738     11.29568     12.84750         0.064758     -0.218517      0.224754
      4.66215     13.70043     13.23355         0.091605      0.121622      0.203344
      3.97782     16.40156      9.37787        -0.157982     -0.119994     -0.157530
      4.62353     15.65821     13.61245         0.228078     -0.120460     -0.129522
      4.98064     18.04887     13.94495         0.349241      0.001727     -0.079856
      5.43269      2.30314      7.43032         0.122419      0.196311     -0.506170
      4.95509      0.20636      7.99356        -0.156689     -0.109559      0.117155
      4.49510      1.56702     12.04400        -0.534509      0.013964      0.015657
      6.73980      6.62943      6.00822         0.371911      0.107791     -0.235454
      5.45306      5.93451     10.50170        -0.032218     -0.120140      0.386062
      5.84904      8.01409      9.97084         0.312695      0.304874     -0.053692
      2.10288     16.46300      3.20994         0.105440      0.153379      0.420298
      0.47793     14.95363     20.03807        -0.243203     -0.354060     -0.321118
      0.54269     17.27586     20.51847        -0.309735      0.212071     -0.201435
      1.82001     18.75223      3.57389         0.129032     -0.141742      0.308554
      0.26275     19.03197     20.79924        -0.089623     -0.347733     -0.400750
      0.04109      0.16707     21.01598        -0.155622      0.058030     -0.288804
      2.54685      3.82759      6.96558        -0.102322      0.080093      0.101160
      2.34815      2.01806      5.89207        -0.116491      0.018196     -0.304007
      0.74352      4.33082      2.64594        -0.376666     -0.108249     -0.222229
      3.73704      7.52927      9.47859        -0.245100      0.193178     -0.018082
      1.86106      8.26052      5.12440        -0.321905      0.196238      0.288217
      2.50177     10.08035      6.25891        -0.083445      0.771066      0.015244
      3.28602     17.03439     21.08328        -0.019101      0.372284     -0.653063
      6.02764     13.80249      2.35429         0.031952     -0.212560      0.342389
      6.06119     16.13607      2.97069         0.207095      0.180574      0.358216
      3.40505     19.25516      0.46068        -0.186368     -0.004312     -0.539090
      6.16898     18.00416      3.51764         0.148700     -0.329875      0.158955
      6.40068     20.29276      4.27687         0.177932      0.014417      0.298890
      1.91227      5.42711      0.51469        -0.171872      0.206666     -0.175800
      2.41633      3.36696      0.44948         0.098140     -0.247018      0.186058
      4.81540      3.96351      3.94340         0.275877     -0.260791      0.143467
      1.53858     10.26365     21.13969        -0.439549      0.102804      0.460370
      4.14399      8.72425      3.57568         0.985226      0.163841      0.148311
      3.69425     10.88209      3.53841         0.438174      0.905703      0.849247
     20.45331     19.54787     14.70968         0.099296      0.036976      0.679422
     16.60769     17.81936     12.09993        -0.143850     -0.082827     -0.183431
     16.91367     20.22181     12.38906        -0.168977      0.225256     -0.164526
     20.66944      0.31148     14.98638         0.132979     -0.100791      0.345402
     16.97796      0.85653     12.83481        -0.292562     -0.180617     -0.159234
     16.98740      3.24695     13.36055        -0.190932      0.075389     -0.205663
      2.53238      6.69355     17.20979        -1.276615      0.022644      0.884767
      1.45813      4.70524     17.01469        -0.415415     -0.145472      0.227573
     19.33995      7.09289     15.94396        -0.483239     -0.003097      0.215736
      4.43398     10.03839     20.25271         0.830723      0.025425      0.109620
      0.20771     10.68592     18.19985        -0.677960      0.312884      0.088848
      1.30793     12.52119     18.73275        -0.161184      0.581626      0.573651
      0.72373     21.14412     13.40017        -0.160110      0.228430     -0.516355
      3.72675     17.78288     15.41360         0.025078     -0.167822      0.392548
      4.21709     20.15464     15.71012         0.049695      0.185557      0.294622
      0.95680      1.80531     13.80074        -0.099788      0.014884     -0.662554
      4.36777      0.86723     16.20027        -0.484564     -0.235871      0.636455
      4.73618      3.24489     16.67736        -0.436902     -0.054825      0.286061
     20.05644      8.90130     13.83298        -0.391917      0.020469     -0.235802
     20.77371      6.79504     13.84017         0.178336     -0.309747     -0.242842
      2.92885      8.13503     16.06167         0.558644      0.101076     -0.717481
     18.35294     13.11533     13.37957        -0.430009      0.002510      0.258939
      1.34520     12.54440     15.39689         0.355054     -0.090899     -0.311187
      0.63343     14.60982     15.32142        -0.381037      0.153918     -0.013863
     17.81328      2.65497      7.09928         0.015185     -0.040009      0.528200
     14.56705      0.86949      3.80134        -0.075839      0.007795     -0.339492
     14.62904      3.26831      4.28808        -0.182713      0.355265     -0.225805
     17.88877      4.71820      7.41430         0.154872     -0.140913      0.364791
     14.69458      5.19977      4.57504        -0.243372     -0.185480     -0.264145
     14.66458      7.60274      4.97836        -0.179426      0.136823     -0.192598
     20.33136     10.84180     10.64244         0.277790     -0.001264      0.081369
     19.43658      9.06935      9.75659        -0.441481     -0.194066      0.031273
     16.74281     11.62685      7.61320        -0.227679     -0.010208     -0.136586
      1.11793     14.37799     12.83508         0.359522      0.358448     -0.357835
     18.42969     15.18742     10.23786        -0.298100     -0.090727      0.514941
     19.45560     16.99230     11.11058        -0.020275      0.419055     -0.017187
     19.35595      4.40248      5.28763        -0.054348      0.186296     -0.170951
     21.16677      0.67800      8.03669         0.255374     -0.299984      0.211208
      0.17725      2.98262      8.80156         0.005202      0.120341      0.391332
     19.71020      6.16874      5.73979         0.198920      0.082922      0.244108
      0.27685      4.95477      9.46900        -0.379319     -0.006698      0.245560
      0.70427      7.28290     10.05145         0.005848      0.125317      0.123746
     18.51237     13.35049      4.92552        -0.337967      0.097504     -0.325103
     19.02990     11.21704      5.20277        -0.080240     -0.338965      0.003459
      0.13726     12.34943      8.61509         0.357483     -0.093257     -0.103359
     17.07460     17.67505      4.21296         0.155110      0.196184     -0.251286
     20.07176     16.81372      7.80883         0.485342     -0.062611      0.194966
     19.33377     18.87639      7.65803        -0.288915      0.235757      0.103054
     14.02766     19.31138     10.64962        -0.138753      0.230667      0.481958
     18.72738     20.96352      3.74667         0.183803     -0.071047     -0.249805
     12.50460      1.20066      2.70035         0.489828      0.657505     -0.089165
     13.46600     11.65963      4.45589         0.119139     -1.575091     -0.020447
      9.82890      2.63553      2.82026        -0.546499      0.331129      0.419564
     10.74269     12.67121      5.35705        -0.552110     -0.380095     -0.662930
      9.63732      5.22488     15.91410         0.617844      0.496854     -0.901022
     10.48533     15.66776     17.83190         0.336104     -0.690112      0.585503
      7.09654      6.43324     15.49512        -0.621527     -0.028454      0.599251
      7.67627     16.60972     18.35709        -0.669706     -0.702360      0.018043
      6.53943      8.95410      7.44891         0.393221      0.724083     -0.447863
      7.40073     19.40589      9.06352         0.359664     -0.523270     -0.523788
      3.49031     10.18379      8.89500         0.146539      0.312558      0.476494
      4.39449     20.49497     10.57444        -0.348248      0.004804      0.148148
      2.24547     12.38523      1.61665        -0.858690     -0.376725     -0.446409
      1.32915      1.71822      3.40993        -0.494957     -0.506914     -0.854874
      3.64275     12.76821     20.26538         0.502899     -0.659594      0.468494
      4.10213      1.89960      2.18240         0.393424     -0.208117      0.158709
     19.48696     15.44693     14.14780         0.270677      0.494610      1.095331
     20.13143      4.47107     15.90928        -0.059795     -0.690479     -0.148061
      0.62337     16.98871     12.64254        -0.264677      0.874860     -0.540939
      2.02276      5.83621     14.73584        -0.827071     -0.251704     -0.741489
     17.42980     19.83444      5.87213        -0.559957      0.504736     -0.144165
     17.46611      8.94277      7.86458        -0.634493     -0.480607     -0.313331
     19.22909      0.37511      4.31835         0.518813      0.567483      0.169817
     20.54560     10.08497      7.20472        -0.015416     -0.445778     -0.740006
     12.11044      2.32973      4.75171         0.643926      0.116562     -0.739872
     12.99783      0.98294      0.43223         0.669466      0.282117      0.110116
     12.97516      9.94745      6.03786         0.611118      0.107852     -1.013546
     13.71395     12.61965      2.34565         0.132699     -0.279231      0.029211
     10.08432      4.49547      1.40083        -0.547095     -0.088076      0.362097
      9.40152      1.46300      4.81007        -0.453869     -1.276808      0.871596
     10.90348     11.59120      3.24877        -1.017232     -0.048092      1.351526
     10.30814     12.87762      7.63630        -0.185898      0.133410      0.299708
      9.45176      6.38338     17.93849         0.580395      0.078186     -0.314651
     10.04997      4.95581     13.59900         0.780105      1.387177      1.707880
     10.07454     13.90239     19.39113         0.639178      0.313240     -0.632706
     10.80054     16.65421     15.74722         0.308365      0.214961     -0.188140
      7.45545      8.29634     14.13235        -0.738515     -0.141256      0.636055
      6.78320      5.22356     17.49308        -0.440239      0.085429      0.007546
      8.12301     15.66031     16.24077        -0.999157     -0.247540      0.859205
      7.12152     16.66985     20.62460        -0.053879     -0.284501     -0.050455
      6.40193     10.14349      9.47589         0.298768      0.163222      0.047953
      7.03920      8.62894      5.20031         0.250195     -0.328062     -0.805802
      6.83676     17.71381     10.59399         0.419395     -0.166839      0.233770
      8.07032     20.33081      7.03973        -0.007807      0.248070     -0.531194
      3.07518     11.97242      7.43964        -0.024832      0.177622     -0.190494
      4.04094      9.09597     10.89912        -0.189235      0.058300      0.197172
      4.25676     19.29801      8.51701        -0.160805     -0.051913     -0.194446
      4.58503     20.64458     12.91135         0.227138      5.497147      7.785917
      2.96926     13.39503      3.62247        -0.106979     -0.089652     -0.306405
      0.74987     12.24077     21.03785        -0.063533      0.304169      0.808413
      2.13020      0.13998      4.96613         0.126248     -0.180853      0.021702
      0.44920      2.55156      1.42323        -0.517578      0.025576     -0.334854
      2.59383     14.52270     19.17294         0.866893      0.001095      0.199076
      4.98442     11.65873      0.59165        -0.108106      0.407993     -0.119219
      2.90153      1.06069      0.35625         0.304029     -0.034856     -0.267358
      5.66960      1.87250      3.90042         0.717371      0.268593      0.662813
     -0.09004     16.69499     15.28848        -1.632398     -0.049111      0.041305
     17.55672     15.06597     12.90979        -0.213490      0.243203      0.317432
      0.38332      2.76132     16.48023        -1.032487     -0.012027     -0.025787
     18.40475      5.49430     14.71485        -0.576757      0.680988     -0.244288
     20.76801     18.92954     11.80709         1.019372     -0.656413      0.117298
      2.15357     15.73793     13.95455        -0.297949      0.629366     -0.281239
      0.27841      4.71972     13.52492         1.700447     -0.121681      0.576422
      3.85466      5.93181     16.15263         3.068062      2.504279      1.884373
     18.43756     21.00222      7.66903        -0.555084     -0.180927     -0.080583
     15.87935     19.49443      4.14889        -0.052460      0.131760     -0.128416
     18.53269      7.18804      9.01157        -0.113612     -0.280342      0.740441
     15.85880      9.92413      6.49619        -0.221587      0.261212     -0.409223
     18.31249      2.29266      3.42595        -0.107656      0.455648     -0.245110
     20.38022     20.13262      5.64179         0.381590      0.405452     -0.130410
     19.41261      9.11010      5.32928        -0.117721      0.086460     -0.064719
      0.52811     10.05309      9.17486         2.349276      2.138638      2.821982
     13.60355     17.64381      5.35578         0.481944     -0.045167     -0.458591
     15.59757     16.85610      5.56603        -0.237948     -0.416286     -0.173722
     14.47158     16.47960      3.73591         0.269266      0.049203     -0.307225
     11.96028     15.14995     11.27434        -0.122494      0.292246      0.124452
     11.46452     14.57681      9.22418         0.163466      0.041845      1.000632
     13.43480     13.96862     10.19754        -0.625603      0.008569      0.483875
     11.95672     18.28443      7.19182        -0.719410     -0.832162      0.168198
     10.01307     18.40802      6.27373         0.086432     -0.180655      0.620070
     10.42997     16.86387      7.82552        -0.264020      0.121588      0.222546
     12.91518     18.20536      0.13564         0.763480      0.373795     -0.454013
     13.84895     16.77795      1.54012         0.536295      0.268191     -0.626843
     11.78158     16.61210      0.98025         0.043597      0.099689     -0.161983
     10.04388      0.36424     18.71020         0.893781      0.110238     -0.511636
     12.17337     -0.05017     18.79335         0.223155     -0.254957     -0.164715
     11.05126     20.67868     17.01286         0.779338      0.057465      0.001968
      9.22571     19.16343      3.53924        -0.322812      0.126206      0.283071
      8.23492     18.52450      1.68644        -0.006916      0.274721      0.314157
     10.32604     18.08546      2.02988        -0.869113     -0.345019      0.800231
      8.21888      0.83398     20.47503        -1.188902     -0.606398     -0.351520
      6.52940      1.22385     19.15653        -0.718358     -0.491630      0.425365
      6.42550     20.86609     20.68421        -0.318043      0.054959      0.148626
      9.09947      0.90695     13.36224         0.843829      0.020510      0.011613
     10.43001     21.00257     14.63322         1.160905      0.264491     -0.065996
      8.41482     20.45484     14.45129        -0.355327     -1.453942     -0.470738
      7.54181      4.09934      9.91239         1.245992     -0.297994     -0.433018
      9.54109      3.46361     10.45748         0.187358     -0.456350     -0.573087
      8.68714      2.93096      8.49313         0.665840     -0.053537     -0.240141
      6.22034      1.66415     16.09062        -0.430978      0.485382     -1.171688
      5.03289      1.55151     14.11507         0.342963     -0.192110      0.339354
      6.88853      0.53658     14.39651        -1.343237      1.134206      1.285121
      5.79796      4.95964     11.88483        -1.240582     -0.321093      0.239188
      3.67474      5.06713     11.70693        -0.284430     -0.901738      1.057878
      4.55558      3.53266     12.94891        -0.562838     -0.066430      0.535895
      6.86734      4.41473      5.10986         0.749793     -0.185843     -0.044356
      7.12720      2.96659      6.69868         0.154979     -0.035935     -0.444716
      5.12066      3.38234      5.94357         0.731093      0.777317     -0.008343
     -0.02818      7.38278      4.55462        -0.258607     -0.076795     -0.452603
      1.80254      7.59918      3.48124        -0.727980      0.340110     -0.389754
      0.14053      6.47309      2.60692        -0.519411      0.083726     -0.550550
      3.52430      5.44356      9.65620        -0.690979     -0.278629     -1.104831
      2.01521      4.40270      8.56939         0.343909      0.474809      0.413015
      3.93056      4.55271      7.63039         0.268926      0.130532      0.333926
      5.71622      7.27579      3.50467         0.406284     -0.365182      0.226123
      3.91063      7.43845      4.71635         0.439037     -0.208257      0.053384
      5.12645      5.76125      5.02547         0.143172     -0.099575      0.753834
      1.16136      8.14888     20.12270        -1.308510      0.111927      0.361267
      2.78255      6.94212     -0.27684        -0.505254     -0.406072     -1.679454
      0.68863      6.76402      0.34820        -0.377904      0.708145      0.292342
     19.75662      9.61050     18.62112        -0.681427     -0.422565     -0.398235
     20.44282     10.48853     16.74968        -1.014221     -0.863444      0.635552
     18.74806      9.11882     16.67153         0.135104     -0.017992      1.156001
      4.73886      7.80575     19.96568        -0.083209     -0.071248     -0.181249
      3.20361      6.64832     18.94218         0.021405     -1.299320      0.524892
      4.49247      7.77214     17.76025         0.555415      0.719583     -0.304744
      3.13315     11.54190     15.02432         0.150432     -0.247631      0.063866
      1.82649     11.60809     16.78555         1.094634     -0.183673     -1.225377
      3.51247     10.25666     16.75038         0.942687     -0.098138     -0.529081
     17.57196     11.10071     13.02421        -0.931936      0.315029      0.187097
     19.08755      9.70014     12.49390        -0.194745      0.261576      0.292939
     18.27027      9.62504     14.51036        -0.667800      0.309749     -0.349016
     16.65546     14.38292      9.86235        -0.356955     -0.168703     -0.557192
     18.19885     14.86691      8.38654        -0.831393      0.002178     -0.100241
     16.40597     13.80538      7.74110        -0.143704      0.115245     -0.115040
      1.38429     12.24811     12.81622         0.540559      0.292178     -0.360292
     20.82286     11.25245     12.21665         0.944822     -0.665814      0.037421
      1.03596     11.81418     10.73342         0.551946     -0.030227     -0.420734
      0.74914     15.89673      7.51866         0.202577     -0.574056      0.321966
     20.48061     15.76797      9.08500         1.195719     -0.351978     -0.531413
      0.92595     14.43802      9.17878         0.593092     -0.027882     -0.086124
     17.04968     15.76186      3.04607        -0.009111      0.291494     -0.164344
     18.83545     14.57239      3.45390        -0.629763      0.286216     -0.332453
     16.90715     14.24240      4.60195         0.160549      0.540073     -0.590256
 -----------------------------------------------------------------------------------
    total drift:                               -0.008725      0.005215      0.008643


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4528.5869512814 eV

  energy  without entropy=    -4528.7328378841  energy(sigma->0) =    -4528.63558015
 
 d Force = 0.1528007E+01[-0.965E-01, 0.315E+01]  d Energy = 0.1449145E+01 0.789E-01
 d Force =-0.9373701E+03[-0.947E+03,-0.928E+03]  d Ewald  =-0.9374713E+03 0.101E+00


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   20(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3176
 total energy-change (2. order) : 0.4424248E+01  (-0.3736875E+03)
 number of electron    2498.0000241 magnetization 
 augmentation part      163.6434237 magnetization 

  free energy =  -0.452416269755E+04  energy without entropy=  -0.452431189739E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   20(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) :-0.1035077E+02  (-0.1218270E+02)
 number of electron    2498.0000240 magnetization 
 augmentation part      164.0891733 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7566
  0.7566

  free energy =  -0.453451347251E+04  energy without entropy=  -0.453466263390E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   20(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3728
 total energy-change (2. order) : 0.5037102E+00  (-0.2736578E+00)
 number of electron    2498.0000240 magnetization 
 augmentation part      163.7714988 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2580
  1.2580  1.2580

  free energy =  -0.453400976231E+04  energy without entropy=  -0.453415905902E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   20(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3600
 total energy-change (2. order) : 0.1493174E+00  (-0.1941346E+00)
 number of electron    2498.0000240 magnetization 
 augmentation part      163.5302173 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2495
  2.0676  0.8404  0.8404

  free energy =  -0.453386044487E+04  energy without entropy=  -0.453400984461E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   20(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3648
 total energy-change (2. order) :-0.3126174E-01  (-0.4116612E-01)
 number of electron    2498.0000240 magnetization 
 augmentation part      163.5277328 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3110
  2.3092  1.0042  1.0042  0.9263

  free energy =  -0.453389170662E+04  energy without entropy=  -0.453404089709E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   20(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3664
 total energy-change (2. order) : 0.2108922E-01  (-0.2310387E-01)
 number of electron    2498.0000240 magnetization 
 augmentation part      163.5349178 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2901
  2.3662  1.0767  1.0767  0.9654  0.9654

  free energy =  -0.453387061740E+04  energy without entropy=  -0.453402043212E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   20(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3600
 total energy-change (2. order) :-0.1323484E-02  (-0.4574948E-02)
 number of electron    2498.0000240 magnetization 
 augmentation part      163.5751175 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2711
  2.3875  1.0728  1.0728  1.1033  1.1033  0.8866

  free energy =  -0.453387194088E+04  energy without entropy=  -0.453402103690E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   20(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3608
 total energy-change (2. order) : 0.9283262E-03  (-0.7645339E-03)
 number of electron    2498.0000240 magnetization 
 augmentation part      163.5758882 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2469
  2.4288  1.1125  1.1125  1.1469  1.1469  0.8902  0.8902

  free energy =  -0.453387101256E+04  energy without entropy=  -0.453402090348E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   20(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) :-0.2886227E-03  (-0.3160574E-03)
 number of electron    2498.0000240 magnetization 
 augmentation part      163.5708567 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2336
  2.5080  1.6247  1.0197  1.0197  1.1290  0.9222  0.9222  0.7236

  free energy =  -0.453387130118E+04  energy without entropy=  -0.453402047980E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   20(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3528
 total energy-change (2. order) :-0.1178298E-04  (-0.3755637E-04)
 number of electron    2498.0000240 magnetization 
 augmentation part      163.5706563 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2481
  2.6127  1.9166  1.0893  1.0893  1.1975  0.8971  0.8971  0.9474  0.5861

  free energy =  -0.453387131296E+04  energy without entropy=  -0.453402099325E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   20(  11)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) :-0.1331466E-03  (-0.4271741E-04)
 number of electron    2498.0000240 magnetization 
 augmentation part      163.5713108 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2293
  2.6251  1.9417  1.3934  1.0490  1.0490  0.9078  0.9078  0.9923  0.8499  0.5775

  free energy =  -0.453387144611E+04  energy without entropy=  -0.453402096504E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   20(  12)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) :-0.1408573E-03  (-0.7735695E-05)
 number of electron    2498.0000240 magnetization 
 augmentation part      163.5706596 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2457
  2.6923  2.1358  1.4944  1.0400  1.0400  1.1355  0.9300  0.9300  0.8685  0.8685
  0.5677

  free energy =  -0.453387158697E+04  energy without entropy=  -0.453402115478E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   20(  13)  ---------------------------------------



 eigenvalue-minimisations  :  3024
 total energy-change (2. order) :-0.1518487E-03  (-0.3506172E-05)
 number of electron    2498.0000240 magnetization 
 augmentation part      163.5709059 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2887
  2.8918  2.4901  1.4756  1.4756  1.0486  1.0486  0.8864  0.8864  0.9078  0.9078
  0.8693  0.5760

  free energy =  -0.453387173882E+04  energy without entropy=  -0.453402131672E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   20(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2600
 total energy-change (2. order) :-0.1378045E-03  (-0.2096351E-05)
 number of electron    2498.0000240 magnetization 
 augmentation part      163.5709835 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3489
  3.6098  2.5469  1.5859  1.5859  1.0438  1.0438  1.0584  1.0584  0.8715  0.8715
  0.8402  0.8402  0.5792

  free energy =  -0.453387187662E+04  energy without entropy=  -0.453402145812E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   20(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2400
 total energy-change (2. order) :-0.1116932E-03  (-0.1200961E-05)
 number of electron    2498.0000240 magnetization 
 augmentation part      163.5708858 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3637
  3.9912  2.5492  1.8076  1.5875  1.0513  1.0513  0.8871  0.8871  0.9418  0.9418
  1.0104  1.0104  0.7965  0.5787

  free energy =  -0.453387198831E+04  energy without entropy=  -0.453402156604E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   20(  16)  ---------------------------------------



 eigenvalue-minimisations  :  2352
 total energy-change (2. order) :-0.5292011E-04  (-0.5825975E-06)
 number of electron    2498.0000240 magnetization 
 augmentation part      163.5707939 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3878
  4.3424  2.5947  2.0005  1.0548  1.0548  1.3869  1.2162  1.2162  1.0755  0.8870
  0.8870  0.9277  0.9277  0.5793  0.6666

  free energy =  -0.453387204123E+04  energy without entropy=  -0.453402163283E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   20(  17)  ---------------------------------------



 eigenvalue-minimisations  :  2280
 total energy-change (2. order) :-0.4029076E-04  (-0.3179846E-06)
 number of electron    2498.0000240 magnetization 
 augmentation part      163.5707777 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4598
  5.0164  2.6762  2.2983  1.6147  1.6147  1.0549  1.0549  0.9020  0.9020  1.0225
  1.0225  0.9966  0.9966  0.9114  0.5783  0.6953

  free energy =  -0.453387208152E+04  energy without entropy=  -0.453402166657E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   20(  18)  ---------------------------------------



 eigenvalue-minimisations  :  2344
 total energy-change (2. order) :-0.2744549E-04  (-0.2495014E-06)
 number of electron    2498.0000240 magnetization 
 augmentation part      163.5707474 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4791
  5.3101  2.7298  2.4938  1.5845  1.5845  1.2779  1.2779  1.0582  1.0582  0.8643
  0.8643  0.9534  0.9534  0.9327  0.9327  0.5782  0.6900

  free energy =  -0.453387210897E+04  energy without entropy=  -0.453402169711E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   20(  19)  ---------------------------------------



 eigenvalue-minimisations  :  2280
 total energy-change (2. order) :-0.9109994E-05  (-0.8989545E-07)
 number of electron    2498.0000240 magnetization 
 augmentation part      163.5707474 magnetization 

  free energy =  -0.453387211808E+04  energy without entropy=  -0.453402170557E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.8790       2 -56.0776       3 -55.9548       4 -55.7163       5 -55.7140
       6 -56.2284       7 -57.9568       8 -58.2378       9 -56.2242      10 -55.9294
      11 -55.9623      12 -55.7269      13 -55.6928      14 -55.8436      15 -58.0160
      16 -58.0522      17 -56.2473      18 -54.8344      19 -54.6069      20 -55.1085
      21 -55.5455      22 -55.4787      23 -55.5843      24 -55.5953      25 -55.0288
      26 -54.6461      27 -54.8501      28 -54.9657      29 -60.5324      30 -60.4439
      31 -55.5630      32 -55.7773      33 -55.6754      34 -55.2092      35 -55.4412
      36 -55.9395      37 -57.7642      38 -58.0845      39 -56.0000      40 -55.6906
      41 -55.8682      42 -55.6491      43 -55.6861      44 -55.7828      45 -58.0677
      46 -58.1536      47 -56.4631      48 -55.0878      49 -54.8059      50 -55.2641
      51 -55.8273      52 -55.7141      53 -55.5974      54 -55.7785      55 -55.0777
      56 -54.6455      57 -54.8921      58 -56.3198      59 -60.5358      60 -60.7276
      61 -55.8252      62 -55.9129      63 -55.8446      64 -55.6484      65 -55.6684
      66 -56.1310      67 -57.8710      68 -58.1719      69 -56.1978      70 -55.9000
      71 -56.0160      72 -55.6949      73 -55.6425      74 -55.8563      75 -58.0145
      76 -58.2139      77 -56.4152      78 -54.9519      79 -54.6679      80 -55.2589
      81 -55.6913      82 -55.6813      83 -55.6940      84 -55.7419      85 -55.0534
      86 -54.8724      87 -55.0335      88 -56.4133      89 -60.6968      90 -60.5635
      91 -55.5975      92 -55.7429      93 -55.6290      94 -55.3615      95 -55.4282
      96 -55.9491      97 -57.8185      98 -57.9539      99 -56.0310     100 -55.7903
     101 -55.9067     102 -55.4956     103 -55.5256     104 -55.7788     105 -58.0459
     106 -58.1747     107 -56.4165     108 -54.9856     109 -54.7996     110 -55.2549
     111 -55.7279     112 -55.6648     113 -55.5724     114 -55.6704     115 -55.1141
     116 -54.7584     117 -54.9200     118 -56.3283     119 -60.4137     120 -60.5577
     121 -55.8459     122 -55.9248     123 -55.8071     124 -55.7091     125 -55.6979
     126 -56.1145     127 -57.9352     128 -58.1654     129 -56.0374     130 -55.7256
     131 -55.8270     132 -55.5462     133 -55.5078     134 -55.7320     135 -57.8651
     136 -58.0722     137 -56.3295     138 -54.8801     139 -54.5809     140 -55.1606
     141 -55.6494     142 -55.7073     143 -55.6358     144 -55.6078     145 -55.0762
     146 -54.8108     147 -55.0268     148 -56.3134     149 -60.5211     150 -60.5706
     151 -55.5784     152 -55.6724     153 -55.5545     154 -55.3796     155 -55.4227
     156 -55.8792     157 -57.8054     158 -57.8819     159 -55.9930     160 -55.7266
     161 -55.9234     162 -55.5600     163 -55.5879     164 -55.8173     165 -57.9536
     166 -58.2251     167 -56.5683     168 -55.1659     169 -54.8403     170 -55.3477
     171 -55.8565     172 -55.8572     173 -55.7585     174 -55.6598     175 -55.0513
     176 -54.5722     177 -54.8589     178 -56.2261     179 -60.4984     180 -60.6561
     181 -55.8013     182 -55.9853     183 -55.8614     184 -55.5682     185 -55.5616
     186 -56.1722     187 -57.9031     188 -58.2445     189 -56.1485     190 -55.7804
     191 -55.8666     192 -55.6463     193 -55.5879     194 -55.7717     195 -57.9083
     196 -58.1401     197 -56.3025     198 -54.8157     199 -54.6135     200 -55.1341
     201 -55.6725     202 -55.6803     203 -55.6117     204 -55.6014     205 -55.0866
     206 -54.8689     207 -54.9796     208 -56.3412     209 -60.6674     210 -60.5096
     211 -55.9486     212 -56.0998     213 -55.8838     214 -55.7516     215 -55.6887
     216 -56.2289     217 -58.1284     218 -58.3057     219 -56.1481     220 -55.7877
     221 -55.8889     222 -55.5827     223 -55.4904     224 -55.7623     225 -57.8199
     226 -58.0996     227 -56.2797     228 -54.7806     229 -54.7359     230 -54.9942
     231 -55.5392     232 -55.7532     233 -55.7975     234 -55.5167     235 -55.1723
     236 -54.8029     237 -55.0542     238 -56.4207     239 -60.3220     240 -60.3831
     241 -55.8356     242 -55.9089     243 -55.7704     244 -55.6775     245 -55.6904
     246 -56.0880     247 -58.0105     248 -58.0760     249 -56.1655     250 -55.8770
     251 -55.9916     252 -55.7021     253 -55.7220     254 -55.8853     255 -58.0214
     256 -58.1112     257 -56.5022     258 -55.1278     259 -54.9088     260 -55.3158
     261 -55.7866     262 -55.8396     263 -55.8003     264 -55.7868     265 -55.3584
     266 -54.8178     267 -55.1957     268 -56.3955     269 -60.4870     270 -60.4826
     271 -55.7177     272 -55.8095     273 -55.6331     274 -55.6381     275 -55.6132
     276 -55.9381     277 -58.1141     278 -58.1594     279 -55.7550     280 -55.5591
     281 -55.6771     282 -55.3895     283 -55.3278     284 -55.6073     285 -57.8365
     286 -58.1383     287 -56.6186     288 -55.1942     289 -54.8783     290 -55.4732
     291 -55.7983     292 -55.7484     293 -55.6737     294 -55.7956     295 -55.0774
     296 -54.7102     297 -54.8789     298 -56.3295     299 -60.4891     300 -60.7186
     301 -55.7610     302 -55.8850     303 -55.7576     304 -55.5146     305 -55.5318
     306 -56.0227     307 -58.0032     308 -58.1700     309 -56.0634     310 -55.7286
     311 -55.8602     312 -55.5800     313 -55.5808     314 -55.7782     315 -57.9168
     316 -58.0310     317 -56.3040     318 -54.8292     319 -54.5889     320 -55.0968
     321 -55.6162     322 -55.6418     323 -55.7086     324 -55.6995     325 -55.0678
     326 -54.9896     327 -55.1434     328 -56.4338     329 -60.5013     330 -60.3705
     331 -55.6087     332 -55.6721     333 -55.5248     334 -55.4649     335 -55.4139
     336 -55.8513     337 -57.8870     338 -57.8527     339 -55.6891     340 -55.4209
     341 -55.5326     342 -55.2771     343 -55.2923     344 -55.4734     345 -57.7386
     346 -57.8575     347 -56.2919     348 -54.8093     349 -54.6340     350 -55.1798
     351 -55.6055     352 -55.5983     353 -55.5453     354 -55.5128     355 -54.9950
     356 -54.5314     357 -54.7775     358 -56.2113     359 -60.3903     360 -60.5421
     361 -39.0072     362 -38.7122     363 -38.8791     364 -39.0652     365 -38.8838
     366 -38.5908     367 -37.8860     368 -38.0537     369 -38.0190     370 -38.2055
     371 -38.2197     372 -38.1433     373 -38.8236     374 -38.2973     375 -38.6221
     376 -38.8589     377 -38.7453     378 -38.6955     379 -38.1366     380 -38.0618
     381 -38.1816     382 -37.9855     383 -38.0989     384 -37.9069     385 -38.8275
     386 -38.6365     387 -38.8849     388 -38.9361     389 -38.8015     390 -38.4943
     391 -38.0510     392 -38.0166     393 -38.1976     394 -38.0676     395 -38.1266
     396 -38.2041     397 -38.7707     398 -38.2926     399 -38.5633     400 -38.8446
     401 -38.6021     402 -38.7609     403 -38.1632     404 -38.0123     405 -38.0989
     406 -37.8807     407 -37.9554     408 -37.8008     409 -38.7904     410 -38.7207
     411 -38.9486     412 -38.7383     413 -38.8356     414 -38.4892     415 -37.7361
     416 -38.1891     417 -37.9500     418 -38.1652     419 -38.1316     420 -38.1811
     421 -38.6288     422 -38.3119     423 -38.6260     424 -38.7029     425 -38.6413
     426 -38.6524     427 -38.0950     428 -38.0855     429 -38.2952     430 -38.0816
     431 -37.9386     432 -37.7608     433 -38.7008     434 -38.4517     435 -38.8549
     436 -38.7119     437 -38.8801     438 -38.6265     439 -38.3108     440 -38.0421
     441 -38.0061     442 -38.2366     443 -37.9794     444 -37.9058     445 -38.8286
     446 -38.8026     447 -38.8359     448 -38.7465     449 -38.7330     450 -38.3830
     451 -37.8441     452 -37.9658     453 -37.8551     454 -38.2309     455 -37.8588
     456 -37.9743     457 -38.9241     458 -38.5876     459 -38.8515     460 -38.9395
     461 -38.9028     462 -38.6032     463 -38.1911     464 -38.2476     465 -38.0665
     466 -38.2077     467 -37.8158     468 -38.3224     469 -38.9256     470 -38.6578
     471 -38.6728     472 -38.7021     473 -38.5079     474 -38.2793     475 -38.1875
     476 -38.1368     477 -38.4101     478 -38.0472     479 -38.1177     480 -37.8867
     481 -38.7598     482 -38.6028     483 -38.7838     484 -38.7637     485 -38.8014
     486 -38.6023     487 -37.9146     488 -38.0617     489 -37.9105     490 -38.3071
     491 -38.1268     492 -38.2306     493 -38.7933     494 -38.3996     495 -38.6302
     496 -38.4735     497 -38.3736     498 -38.3614     499 -37.9605     500 -37.8024
     501 -38.0441     502 -37.9550     503 -37.9497     504 -37.8174     505 -38.3022
     506 -40.7396     507 -71.3959     508 -71.2812     509 -71.4199     510 -71.5543
     511 -71.4206     512 -71.4264     513 -71.2548     514 -71.4600     515 -71.4371
     516 -71.3096     517 -71.1966     518 -71.7180     519 -71.4455     520 -71.4312
     521 -71.4431     522 -71.2623     523 -71.4143     524 -71.3733     525 -71.4685
     526 -71.5611     527 -71.4013     528 -71.3577     529 -71.0546     530 -71.3435
     531 -76.9761     532 -76.7917     533 -76.8517     534 -76.9977     535 -76.8759
     536 -76.4566     537 -76.8052     538 -76.9355     539 -76.9898     540 -76.5305
     541 -76.9890     542 -76.8666     543 -76.7063     544 -76.6989     545 -76.8787
     546 -76.9187     547 -76.9840     548 -76.6915     549 -76.9841     550 -76.6340
     551 -76.6771     552 -76.6521     553 -76.8609     554 -76.2819     555 -77.0857
     556 -76.7214     557 -76.9845     558 -76.7277     559 -77.1198     560 -76.9937
     561 -76.8756     562 -76.5668     563 -76.6759     564 -76.8879     565 -76.9025
     566 -76.7965     567 -76.9622     568 -77.0956     569 -76.9209     570 -76.3162
     571 -76.9872     572 -76.8331     573 -76.7909     574 -76.7099     575 -76.5607
     576 -76.7177     577 -76.5212     578 -76.4078     579 -82.7207     580 -82.3697
     581 -82.3805     582 -82.7021     583 -82.4765     584 -82.2733     585 -82.5232
     586 -82.6225     587 -82.8372     588 -82.5172     589 -82.3060     590 -82.1964
     591 -82.7228     592 -82.3399     593 -82.6480     594 -82.9490     595 -82.5098
     596 -82.6553     597 -82.4669     598 -82.4454     599 -82.6409     600 -82.2564
     601 -82.0806     602 -82.5147     603 -82.8849     604 -82.3482     605 -82.7682
     606 -83.1321     607 -82.6939     608 -81.9621     609 -82.6140     610 -82.4903
     611 -82.7336     612 -82.4476     613 -82.4404     614 -82.1327     615 -82.4774
     616 -82.7476     617 -82.5253     618 -82.8786     619 -82.6775     620 -82.9381
     621 -82.2682     622 -82.6404     623 -82.3933     624 -82.8129     625 -81.9439
     626 -82.4086     627 -82.3659     628 -82.5841     629 -82.2650     630 -82.7470
     631 -81.7890     632 -82.3197     633 -82.6331     634 -82.5562     635 -82.8598
     636 -82.5157     637 -82.1174     638 -82.2121     639 -82.0723     640 -82.5305
     641 -82.4251     642 -82.7424     643 -82.4395     644 -82.3741     645 -82.3551
     646 -82.6590     647 -82.6639     648 -82.5008     649 -82.2461     650 -82.2174
 
 
 
 E-fermi :  -1.2233     XC(G=0):  -6.3687     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.5950      2.00000
      2     -29.2592      2.00000
      3     -29.2354      2.00000
      4     -29.2201      2.00000
      5     -29.1662      2.00000
      6     -29.1480      2.00000
      7     -29.1248      2.00000
      8     -29.0998      2.00000
      9     -29.0947      2.00000
     10     -29.0794      2.00000
     11     -29.0627      2.00000
     12     -29.0329      2.00000
     13     -29.0315      2.00000
     14     -29.0059      2.00000
     15     -28.9634      2.00000
     16     -28.7920      2.00000
     17     -28.7179      2.00000
     18     -28.7070      2.00000
     19     -28.6905      2.00000
     20     -28.6875      2.00000
     21     -28.6824      2.00000
     22     -28.6111      2.00000
     23     -28.5641      2.00000
     24     -28.4977      2.00000
     25     -27.4643      2.00000
     26     -27.3074      2.00000
     27     -27.0078      2.00000
     28     -26.9831      2.00000
     29     -26.9534      2.00000
     30     -26.9467      2.00000
     31     -26.9186      2.00000
     32     -26.9180      2.00000
     33     -26.9160      2.00000
     34     -26.8376      2.00000
     35     -26.8253      2.00000
     36     -26.8046      2.00000
     37     -26.8026      2.00000
     38     -26.7966      2.00000
     39     -26.7756      2.00000
     40     -26.7322      2.00000
     41     -26.6906      2.00000
     42     -26.6403      2.00000
     43     -26.6372      2.00000
     44     -26.6371      2.00000
     45     -26.6139      2.00000
     46     -26.6077      2.00000
     47     -26.6071      2.00000
     48     -26.5982      2.00000
     49     -26.5644      2.00000
     50     -26.5635      2.00000
     51     -26.5575      2.00000
     52     -26.5226      2.00000
     53     -26.5210      2.00000
     54     -26.5198      2.00000
     55     -26.5122      2.00000
     56     -26.5000      2.00000
     57     -26.4982      2.00000
     58     -26.4776      2.00000
     59     -26.4505      2.00000
     60     -26.4384      2.00000
     61     -26.4291      2.00000
     62     -26.3932      2.00000
     63     -26.3783      2.00000
     64     -26.3653      2.00000
     65     -26.3513      2.00000
     66     -26.2120      2.00000
     67     -26.2106      2.00000
     68     -26.1938      2.00000
     69     -26.1329      2.00000
     70     -26.0252      2.00000
     71     -25.9713      2.00000
     72     -25.7659      2.00000
     73     -23.8855      2.00000
     74     -23.7916      2.00000
     75     -23.7829      2.00000
     76     -23.7137      2.00000
     77     -23.6518      2.00000
     78     -23.6388      2.00000
     79     -23.5831      2.00000
     80     -23.5747      2.00000
     81     -23.5598      2.00000
     82     -23.5517      2.00000
     83     -23.5362      2.00000
     84     -23.5319      2.00000
     85     -23.4968      2.00000
     86     -23.4689      2.00000
     87     -23.4195      2.00000
     88     -23.4046      2.00000
     89     -23.4023      2.00000
     90     -23.3850      2.00000
     91     -23.3620      2.00000
     92     -23.3173      2.00000
     93     -23.3102      2.00000
     94     -23.2995      2.00000
     95     -23.2899      2.00000
     96     -23.2883      2.00000
     97     -23.2509      2.00000
     98     -23.2331      2.00000
     99     -23.1783      2.00000
    100     -23.1596      2.00000
    101     -23.0795      2.00000
    102     -23.0790      2.00000
    103     -23.0004      2.00000
    104     -22.9968      2.00000
    105     -22.9850      2.00000
    106     -22.9794      2.00000
    107     -22.9781      2.00000
    108     -22.9735      2.00000
    109     -22.9281      2.00000
    110     -22.9224      2.00000
    111     -22.9013      2.00000
    112     -22.8723      2.00000
    113     -22.8640      2.00000
    114     -22.8617      2.00000
    115     -22.7790      2.00000
    116     -22.7028      2.00000
    117     -22.6944      2.00000
    118     -22.4495      2.00000
    119     -22.2194      2.00000
    120     -21.7491      2.00000
    121     -20.4729      2.00000
    122     -20.4401      2.00000
    123     -20.4285      2.00000
    124     -20.3821      2.00000
    125     -20.3477      2.00000
    126     -20.3118      2.00000
    127     -20.2927      2.00000
    128     -20.2715      2.00000
    129     -20.2568      2.00000
    130     -20.2471      2.00000
    131     -20.2449      2.00000
    132     -20.2216      2.00000
    133     -20.2211      2.00000
    134     -20.2197      2.00000
    135     -20.1736      2.00000
    136     -20.1366      2.00000
    137     -20.1353      2.00000
    138     -20.1210      2.00000
    139     -20.1050      2.00000
    140     -20.0968      2.00000
    141     -20.0618      2.00000
    142     -20.0396      2.00000
    143     -20.0308      2.00000
    144     -19.9805      2.00000
    145     -18.6661      2.00000
    146     -18.6080      2.00000
    147     -18.6025      2.00000
    148     -18.5935      2.00000
    149     -18.5555      2.00000
    150     -18.5325      2.00000
    151     -18.5104      2.00000
    152     -18.5042      2.00000
    153     -18.4666      2.00000
    154     -18.4419      2.00000
    155     -18.4043      2.00000
    156     -18.3625      2.00000
    157     -18.3576      2.00000
    158     -18.3140      2.00000
    159     -18.3088      2.00000
    160     -18.2747      2.00000
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    164     -18.1987      2.00000
    165     -18.1884      2.00000
    166     -18.1561      2.00000
    167     -18.1190      2.00000
    168     -18.0196      2.00000
    169     -18.0117      2.00000
    170     -18.0057      2.00000
    171     -17.9779      2.00000
    172     -17.9351      2.00000
    173     -17.9016      2.00000
    174     -17.8771      2.00000
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    176     -17.8341      2.00000
    177     -17.8083      2.00000
    178     -17.7875      2.00000
    179     -17.7579      2.00000
    180     -17.6933      2.00000
    181     -17.6132      2.00000
    182     -17.5707      2.00000
    183     -17.5693      2.00000
    184     -17.5314      2.00000
    185     -17.5289      2.00000
    186     -17.4998      2.00000
    187     -17.4960      2.00000
    188     -17.4881      2.00000
    189     -17.4734      2.00000
    190     -17.4573      2.00000
    191     -17.3938      2.00000
    192     -17.3759      2.00000
    193     -16.7786      2.00000
    194     -16.7517      2.00000
    195     -16.7145      2.00000
    196     -16.7089      2.00000
    197     -16.6637      2.00000
    198     -16.6464      2.00000
    199     -16.6377      2.00000
    200     -16.5892      2.00000
    201     -16.5686      2.00000
    202     -16.5345      2.00000
    203     -16.5232      2.00000
    204     -16.3915      2.00000
    205     -16.2001      2.00000
    206     -16.1954      2.00000
    207     -16.1778      2.00000
    208     -16.1221      2.00000
    209     -16.1104      2.00000
    210     -16.0858      2.00000
    211     -16.0723      2.00000
    212     -16.0103      2.00000
    213     -16.0036      2.00000
    214     -15.9654      2.00000
    215     -15.9490      2.00000
    216     -15.7638      2.00000
    217     -15.7452      2.00000
    218     -15.7029      2.00000
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    220     -15.6689      2.00000
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    223     -15.6297      2.00000
    224     -15.6097      2.00000
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    226     -15.5675      2.00000
    227     -15.5452      2.00000
    228     -15.5387      2.00000
    229     -15.4954      2.00000
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    232     -15.4677      2.00000
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    264     -15.0674      2.00000
    265     -15.0638      2.00000
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   1515       5.7868      0.00000
   1516       5.8001      0.00000
   1517       5.8109      0.00000
   1518       5.8211      0.00000
   1519       5.8350      0.00000
   1520       5.8397      0.00000
   1521       5.8473      0.00000
   1522       5.8497      0.00000
   1523       5.8671      0.00000
   1524       5.8748      0.00000
   1525       5.8823      0.00000
   1526       5.8996      0.00000
   1527       5.9041      0.00000
   1528       5.9152      0.00000
   1529       5.9208      0.00000
   1530       5.9263      0.00000
   1531       5.9328      0.00000
   1532       5.9395      0.00000
   1533       5.9481      0.00000
   1534       5.9680      0.00000
   1535       5.9735      0.00000
   1536       5.9880      0.00000
   1537       5.9984      0.00000
   1538       6.0136      0.00000
   1539       6.0279      0.00000
   1540       6.0310      0.00000
   1541       6.0327      0.00000
   1542       6.0563      0.00000
   1543       6.0622      0.00000
   1544       6.0699      0.00000
   1545       6.0848      0.00000
   1546       6.0897      0.00000
   1547       6.0958      0.00000
   1548       6.1080      0.00000
   1549       6.1108      0.00000
   1550       6.1196      0.00000
   1551       6.1309      0.00000
   1552       6.1385      0.00000
   1553       6.1482      0.00000
   1554       6.1540      0.00000
   1555       6.1626      0.00000
   1556       6.1723      0.00000
   1557       6.1877      0.00000
   1558       6.1996      0.00000
   1559       6.2015      0.00000
   1560       6.2093      0.00000
   1561       6.2218      0.00000
   1562       6.2272      0.00000
   1563       6.2311      0.00000
   1564       6.2386      0.00000
   1565       6.2485      0.00000
   1566       6.2587      0.00000
   1567       6.2619      0.00000
   1568       6.2658      0.00000
   1569       6.2839      0.00000
   1570       6.2989      0.00000
   1571       6.3018      0.00000
   1572       6.3092      0.00000
   1573       6.3187      0.00000
   1574       6.3322      0.00000
   1575       6.3495      0.00000
   1576       6.3663      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.079  13.401  -0.001   0.001  -0.000   0.001  -0.005   0.000
 13.401  17.816  -0.001   0.002  -0.000   0.001  -0.006   0.001
 -0.001  -0.001  -4.223   0.002   0.000   8.260  -0.004  -0.000
  0.001   0.002   0.002  -4.225   0.001  -0.004   8.260  -0.001
 -0.000  -0.000   0.000   0.001  -4.216  -0.000  -0.001   8.250
  0.001   0.001   8.260  -0.004  -0.000 -18.282   0.006   0.000
 -0.005  -0.006  -0.004   8.260  -0.001   0.006 -18.281   0.001
  0.000   0.001  -0.000  -0.001   8.250   0.000   0.001 -18.273
 total augmentation occupancy for first ion, spin component:           1
  8.619  -3.904   0.196   0.154  -0.026   0.025   0.028  -0.005
 -3.904   1.843  -0.103  -0.101   0.012  -0.011  -0.016   0.002
  0.196  -0.103   1.792  -0.048  -0.010   0.169  -0.009  -0.002
  0.154  -0.101  -0.048   1.935  -0.077  -0.009   0.183  -0.011
 -0.026   0.012  -0.010  -0.077   1.225  -0.002  -0.011   0.081
  0.025  -0.011   0.169  -0.009  -0.002   0.018  -0.001  -0.000
  0.028  -0.016  -0.009   0.183  -0.011  -0.001   0.019  -0.001
 -0.005   0.002  -0.002  -0.011   0.081  -0.000  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -56992.13929116437.85351 39249.69356-12741.64667  6531.83138 28376.10197
  Hartree -1640.56731143411.39550 77370.04251-13126.25031  4516.57342 22752.98888
  E(xc)  -10758.85326-10620.25540-10660.88927     2.68490     8.13020    29.69796
  Local   25244.44880************************ 25858.93648-11097.47626-50557.80469
  n-local -5884.07064 -5994.55011 -6068.97209     7.37860    20.56433   -55.62564
  augment  1490.16028  1537.48737  1484.70714     3.64748    13.00938    -3.43577
  Kinetic 45722.90859 43314.73311 43953.71756   -47.36243  -111.02996  -540.27825
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       89.7458824   -352.4038035     97.3150304    -42.6119648   -118.3975193      1.6444575
  in kB       14.9658442    -58.7661550     16.2280603     -7.1058862    -19.7437340      0.2742265
  external PRESSURE =      -9.1907502 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.305E+03 -.122E+03 0.254E+03   0.305E+03 0.122E+03 -.256E+03   0.198E+00 -.470E+00 0.123E+01   0.130E-03 0.377E-05 0.931E-05
   -.272E+03 -.146E+03 0.422E+02   0.272E+03 0.147E+03 -.415E+02   -.859E-01 -.119E+01 -.209E+00   0.389E-04 0.192E-04 0.378E-04
   -.229E+03 -.140E+03 -.314E+00   0.229E+03 0.141E+03 0.211E+01   0.181E+00 -.121E+01 -.157E+01   0.116E-04 0.689E-05 0.592E-04
   -.274E+03 -.112E+03 0.362E+03   0.274E+03 0.112E+03 -.365E+03   0.529E-01 0.423E-02 0.226E+01   0.172E-03 -.714E-04 0.720E-04
   -.229E+03 -.161E+03 0.321E+03   0.229E+03 0.162E+03 -.322E+03   0.216E+00 -.543E+00 0.695E+00   0.843E-04 -.923E-04 0.142E-03
   -.200E+03 -.127E+03 0.176E+03   0.200E+03 0.127E+03 -.176E+03   0.140E+00 -.272E+00 0.166E+00   0.290E-04 -.377E-04 0.833E-04
   -.328E+03 -.153E+03 0.172E+03   0.327E+03 0.159E+03 -.170E+03   0.973E-01 -.452E+01 0.689E+00   0.115E-03 0.555E-04 -.324E-04
   -.260E+03 -.121E+03 0.186E+02   0.262E+03 0.125E+03 -.226E+02   -.797E+00 -.413E+01 0.204E+01   -.277E-04 0.583E-04 0.956E-04
   -.142E+03 0.642E+01 0.209E+03   0.142E+03 -.633E+01 -.209E+03   0.174E+00 0.254E+00 0.292E+00   -.247E-04 -.572E-04 0.841E-04
   -.124E+03 0.952E+02 0.730E+02   0.124E+03 -.968E+02 -.720E+02   0.257E+00 0.122E+01 -.983E+00   -.468E-04 -.571E-04 0.529E-04
   -.138E+03 0.132E+03 0.139E+03   0.138E+03 -.133E+03 -.139E+03   0.296E+00 0.964E+00 0.892E-01   -.337E-04 -.243E-05 0.464E-04
   -.151E+03 0.833E+01 0.348E+03   0.152E+03 -.871E+01 -.349E+03   -.263E+00 0.252E+00 0.886E+00   -.469E-04 -.944E-05 0.159E-03
   -.152E+03 -.252E+02 0.385E+03   0.152E+03 0.263E+02 -.387E+03   -.106E+00 -.886E+00 0.194E+01   -.138E-04 0.785E-04 0.874E-04
   -.155E+03 0.466E+02 0.324E+03   0.155E+03 -.459E+02 -.326E+03   0.416E+00 -.431E+00 0.106E+01   -.334E-05 0.671E-04 0.189E-04
   -.174E+03 0.150E+03 0.282E+03   0.173E+03 -.159E+03 -.281E+03   0.366E+00 0.375E+01 0.198E+01   0.280E-04 0.113E-03 -.741E-04
   -.156E+03 0.149E+03 0.114E+03   0.157E+03 -.151E+03 -.120E+03   0.318E+00 0.325E+01 0.344E+01   -.447E-04 -.184E-04 0.705E-04
   -.153E+03 0.129E+03 0.569E+02   0.153E+03 -.124E+03 -.531E+02   -.467E+00 -.438E+01 -.383E+01   -.132E-04 0.727E-04 -.356E-05
   -.783E+02 0.221E+03 -.167E+03   0.779E+02 -.224E+03 0.169E+03   0.393E+00 0.153E+01 -.157E+01   -.308E-04 0.658E-04 -.204E-04
   -.436E+02 0.156E+03 -.213E+03   0.429E+02 -.155E+03 0.216E+03   0.917E+00 0.280E+00 -.163E+01   -.361E-04 0.454E-04 -.373E-05
   -.140E+03 0.132E+03 0.185E+03   0.141E+03 -.131E+03 -.189E+03   -.974E+00 -.773E+00 0.237E+01   0.154E-04 0.606E-04 -.489E-04
   -.766E+02 0.977E+02 0.544E-01   0.753E+02 -.997E+02 0.140E+01   0.112E+01 0.143E+01 -.691E+00   0.984E-05 0.118E-04 -.405E-04
   -.704E+02 0.343E+02 -.159E+03   0.707E+02 -.347E+02 0.159E+03   -.200E+00 0.228E+00 -.580E+00   -.148E-04 0.116E-04 -.706E-05
   -.877E+02 -.274E+02 -.210E+03   0.880E+02 0.276E+02 0.210E+03   -.185E+00 -.308E+00 0.864E+00   -.260E-04 -.538E-04 -.823E-05
   -.584E+02 -.805E+02 -.280E+03   0.595E+02 0.824E+02 0.279E+03   -.841E+00 -.167E+01 0.119E+01   -.532E-04 -.851E-04 0.201E-04
   -.375E+02 -.154E+03 -.385E+03   0.372E+02 0.155E+03 0.386E+03   0.212E+00 -.627E+00 -.138E+01   -.233E-04 -.143E-03 0.144E-04
   -.148E+03 -.166E+03 -.194E+03   0.149E+03 0.166E+03 0.192E+03   -.856E+00 -.444E+00 0.210E+01   0.618E-05 -.729E-04 -.403E-04
   -.117E+03 -.303E+03 -.229E+03   0.118E+03 0.304E+03 0.228E+03   0.138E-01 -.800E+00 0.201E+00   0.121E-04 -.102E-03 -.518E-04
   -.638E+02 -.264E+03 -.339E+03   0.638E+02 0.265E+03 0.340E+03   -.203E+00 -.132E+01 -.428E+00   0.104E-04 -.154E-03 -.389E-04
   -.422E+02 -.180E+02 -.278E+03   0.477E+02 0.268E+02 0.273E+03   -.487E+01 -.869E+01 0.423E+01   -.438E-04 -.166E-04 -.302E-05
   -.811E+02 0.651E+02 0.369E+02   0.776E+02 -.753E+02 -.331E+02   0.407E+01 0.935E+01 -.419E+01   -.415E-04 -.443E-04 -.846E-04
   -.191E+03 -.370E+02 -.634E+02   0.191E+03 0.369E+02 0.656E+02   0.102E+00 -.161E+00 -.167E+01   -.496E-04 0.256E-04 0.851E-04
   -.135E+03 -.163E+03 0.110E+03   0.135E+03 0.164E+03 -.110E+03   0.537E-02 -.112E+01 -.589E+00   -.462E-04 0.198E-04 0.102E-03
   -.160E+03 -.157E+03 0.151E+03   0.160E+03 0.159E+03 -.152E+03   0.139E+00 -.152E+01 0.885E+00   -.397E-04 -.152E-05 0.744E-04
   -.312E+03 0.705E+01 -.169E+03   0.311E+03 -.902E+01 0.172E+03   0.628E+00 0.187E+01 -.296E+01   -.415E-04 -.184E-05 0.507E-04
   -.305E+03 -.690E+02 -.195E+03   0.304E+03 0.690E+02 0.197E+03   0.293E+00 -.194E+00 -.105E+01   -.353E-04 -.273E-04 0.192E-04
   -.233E+03 -.647E+02 -.287E+02   0.233E+03 0.644E+02 0.285E+02   0.218E+00 -.941E-01 -.428E+00   -.377E-04 -.428E-04 0.292E-04
   -.884E+02 -.690E+02 -.301E+02   0.884E+02 0.732E+02 0.328E+02   -.785E-01 -.420E+01 -.304E+01   -.393E-04 0.620E-04 0.104E-03
   -.424E+02 -.161E+03 0.937E+02   0.417E+02 0.163E+03 -.877E+02   0.300E+00 -.329E+01 -.385E+01   -.129E-04 0.411E-04 0.108E-03
   -.199E+03 0.543E+02 -.395E+02   0.199E+03 -.542E+02 0.396E+02   0.159E+00 0.494E+00 -.215E+00   -.323E-04 -.832E-04 -.838E-05
   -.100E+03 0.768E+02 0.166E+03   0.100E+03 -.785E+02 -.168E+03   0.607E-01 0.109E+01 0.171E+01   -.159E-04 -.564E-04 -.728E-06
   -.467E+02 0.922E+02 0.954E+02   0.465E+02 -.933E+02 -.961E+02   -.563E-03 0.181E+01 -.746E-01   0.503E-05 -.733E-05 -.443E-05
   -.225E+03 0.877E+02 -.248E+03   0.225E+03 -.886E+02 0.249E+03   0.711E-01 0.813E+00 -.731E+00   -.425E-04 -.768E-04 -.656E-04
   -.180E+03 0.459E+02 -.322E+03   0.180E+03 -.460E+02 0.325E+03   -.473E-01 0.571E-01 -.198E+01   -.330E-04 -.290E-04 -.910E-04
   -.914E+02 0.694E+02 -.179E+03   0.913E+02 -.698E+02 0.181E+03   -.951E-01 0.698E+00 -.108E+01   -.207E-05 0.483E-05 -.289E-04
   -.288E+02 0.129E+03 -.106E+03   0.283E+02 -.136E+03 0.104E+03   0.671E+00 0.455E+01 -.456E+00   0.997E-05 0.647E-04 -.174E-05
   0.396E+02 0.944E+02 0.128E+03   -.407E+02 -.986E+02 -.126E+03   0.158E+01 0.449E+01 -.205E+01   0.135E-04 0.325E-04 -.225E-04
   0.664E+02 0.623E+02 0.988E+02   -.654E+02 -.567E+02 -.101E+03   -.117E+01 -.554E+01 0.198E+01   -.127E-04 0.324E-04 -.226E-05
   0.237E+02 0.150E+03 0.287E+03   -.228E+02 -.151E+03 -.289E+03   -.115E+01 0.130E+01 0.240E+01   -.446E-05 0.276E-04 -.351E-04
   -.830E+01 0.142E+03 0.242E+03   0.951E+01 -.141E+03 -.244E+03   -.594E+00 -.286E+00 0.196E+01   0.724E-05 -.177E-04 -.748E-04
   0.747E+02 0.844E+02 -.659E+02   -.753E+02 -.847E+02 0.692E+02   0.512E+00 0.135E+00 -.297E+01   -.273E-04 -.162E-05 0.176E-04
   0.328E+02 0.451E+02 -.268E+01   -.320E+02 -.462E+02 0.805E+00   -.933E+00 0.110E+01 0.170E+01   -.421E-04 -.343E-04 0.508E-05
   0.192E+02 0.343E+02 0.937E+02   -.189E+02 -.338E+02 -.944E+02   -.500E+00 -.423E+00 0.901E+00   -.309E-04 -.599E-04 -.268E-04
   -.109E+03 -.204E+02 0.421E+02   0.109E+03 0.204E+02 -.419E+02   0.128E-01 -.167E+00 -.858E+00   -.391E-04 -.113E-03 -.153E-04
   -.260E+03 -.348E+02 0.137E+03   0.260E+03 0.356E+02 -.135E+03   0.612E+00 -.801E+00 -.155E+01   -.107E-04 -.134E-03 -.516E-04
   -.327E+03 -.874E+02 0.188E+03   0.329E+03 0.878E+02 -.191E+03   -.126E+01 0.830E-01 0.272E+01   -.121E-04 -.644E-04 -.211E-04
   -.110E+03 -.145E+03 -.121E+03   0.109E+03 0.144E+03 0.124E+03   0.711E+00 0.196E-01 -.145E+01   -.592E-04 -.403E-04 0.215E-04
   -.156E+03 -.157E+03 -.177E+03   0.155E+03 0.159E+03 0.180E+03   0.684E+00 -.130E+01 -.247E+01   -.610E-04 0.392E-05 0.258E-04
   -.255E+03 -.666E+02 0.367E+02   0.254E+03 0.607E+02 -.347E+02   0.687E+00 0.593E+01 -.197E+01   -.271E-04 0.348E-05 0.165E-04
   -.265E+03 0.132E+02 0.186E+03   0.262E+03 -.670E+01 -.178E+03   0.231E+01 -.621E+01 -.820E+01   0.267E-04 -.287E-03 -.625E-04
   -.409E+02 0.513E+01 -.968E+02   0.443E+02 -.123E+02 0.882E+02   -.301E+01 0.692E+01 0.768E+01   -.157E-04 -.491E-04 -.255E-04
   -.441E+03 -.733E+02 0.877E+02   0.441E+03 0.732E+02 -.893E+02   0.200E-03 -.127E+01 0.136E+01   -.397E-03 -.592E-04 -.575E-04
   -.444E+03 -.106E+03 -.924E+02   0.444E+03 0.107E+03 0.935E+02   -.527E+00 -.776E+00 -.163E+00   -.406E-03 -.562E-07 -.318E-04
   -.384E+03 -.104E+03 -.124E+03   0.384E+03 0.105E+03 0.126E+03   0.335E+00 -.989E+00 -.147E+01   -.374E-03 0.117E-03 -.430E-05
   -.362E+03 -.735E+02 0.183E+03   0.362E+03 0.738E+02 -.185E+03   0.872E-01 0.267E+00 0.217E+01   -.367E-03 0.231E-05 -.555E-04
   -.301E+03 -.124E+03 0.139E+03   0.301E+03 0.124E+03 -.140E+03   0.358E+00 -.601E+00 0.843E+00   -.327E-03 0.137E-03 -.297E-04
   -.314E+03 -.949E+02 0.165E+02   0.314E+03 0.947E+02 -.164E+02   0.125E-01 -.284E+00 0.406E+00   -.317E-03 0.199E-03 -.618E-05
   -.470E+03 -.110E+03 0.120E+02   0.471E+03 0.114E+03 -.128E+02   -.335E+00 -.487E+01 0.687E+00   -.308E-03 -.129E-03 -.109E-03
   -.453E+03 -.924E+02 -.527E+02   0.455E+03 0.963E+02 0.479E+02   -.100E+01 -.392E+01 0.222E+01   -.312E-03 -.469E-04 -.173E-05
   -.257E+03 0.370E+02 0.424E+02   0.257E+03 -.370E+02 -.423E+02   0.660E-01 0.286E+00 0.291E+00   -.164E-03 0.205E-03 -.492E-05
   -.291E+03 0.122E+03 -.513E+02   0.291E+03 -.124E+03 0.524E+02   0.339E-01 0.148E+01 -.111E+01   -.584E-04 0.157E-03 0.968E-05
   -.301E+03 0.148E+03 0.140E+02   0.301E+03 -.150E+03 -.139E+02   0.125E+00 0.122E+01 0.206E+00   0.109E-03 0.111E-03 0.320E-04
   -.210E+03 0.384E+02 0.144E+03   0.210E+03 -.387E+02 -.145E+03   -.199E+00 0.258E+00 0.972E+00   -.675E-04 0.183E-03 -.238E-04
   -.213E+03 -.118E+02 0.161E+03   0.213E+03 0.130E+02 -.163E+03   -.167E+00 -.103E+01 0.213E+01   0.917E-04 0.984E-04 -.249E-04
   -.276E+03 0.495E+02 0.147E+03   0.277E+03 -.493E+02 -.148E+03   0.299E+00 -.492E-01 0.131E+01   0.161E-03 0.636E-04 0.115E-04
   -.322E+03 0.118E+03 0.130E+03   0.321E+03 -.125E+03 -.130E+03   0.933E-01 0.419E+01 0.223E+01   0.219E-03 -.389E-04 0.135E-04
   -.341E+03 0.158E+03 0.830E+02   0.341E+03 -.160E+03 -.887E+02   -.132E+00 0.338E+01 0.368E+01   0.188E-03 0.269E-04 0.741E-04
   -.334E+03 0.104E+03 0.102E+03   0.334E+03 -.994E+02 -.980E+02   0.106E+00 -.414E+01 -.399E+01   0.182E-03 -.984E-04 0.943E-05
   -.202E+03 0.218E+03 0.352E+02   0.202E+03 -.220E+03 -.333E+02   0.326E+00 0.149E+01 -.192E+01   0.155E-03 -.100E-03 0.349E-04
   -.100E+03 0.121E+03 0.744E+02   0.995E+02 -.120E+03 -.716E+02   0.908E+00 0.379E+00 -.184E+01   0.790E-04 -.113E-03 0.442E-04
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   -.283E+03 -.383E+02 0.212E+03   0.306E+03 0.350E+02 -.259E+03   -.225E+02 0.427E+01 0.468E+02   0.390E-04 -.222E-03 0.468E-04
   -.396E+03 -.352E+03 0.170E+03   0.418E+03 0.381E+03 -.207E+03   -.214E+02 -.294E+02 0.362E+02   -.295E-03 -.186E-03 0.940E-04
   0.217E+03 -.534E+03 -.212E+03   -.242E+03 0.564E+03 0.242E+03   0.264E+02 -.308E+02 -.309E+02   -.253E-03 -.250E-03 -.431E-04
   -.430E+03 -.138E+03 -.106E+02   0.471E+03 0.118E+03 0.437E+02   -.406E+02 0.199E+02 -.338E+02   -.207E-04 -.229E-03 0.104E-03
   0.963E+03 -.339E+02 -.183E+03   -.101E+04 0.571E+02 0.161E+03   0.451E+02 -.232E+02 0.226E+02   0.627E-03 0.607E-03 -.256E-03
   0.528E+03 0.487E+03 0.580E+02   -.514E+03 -.515E+03 -.957E+02   -.142E+02 0.280E+02 0.381E+02   0.461E-03 0.186E-03 -.299E-03
   0.859E+03 0.310E+03 -.375E+03   -.875E+03 -.343E+03 0.411E+03   0.152E+02 0.339E+02 -.367E+02   0.915E-03 0.352E-03 -.284E-04
   0.487E+03 -.114E+03 -.599E+03   -.513E+03 0.129E+03 0.640E+03   0.252E+02 -.160E+02 -.412E+02   0.110E-03 0.297E-04 -.126E-03
   0.118E+03 -.351E+03 -.240E+02   -.846E+02 0.389E+03 0.902E+01   -.345E+02 -.382E+02 0.148E+02   0.448E-04 -.562E-04 -.360E-04
   0.349E+03 0.141E+03 0.995E+02   -.386E+03 -.145E+03 -.140E+03   0.369E+02 0.363E+01 0.409E+02   0.126E-03 0.597E-04 -.624E-04
   -.301E+03 -.100E+03 -.333E+03   0.342E+03 0.101E+03 0.372E+03   -.400E+02 -.396E+00 -.396E+02   -.397E-03 0.873E-04 -.149E-03
   0.323E+03 0.293E+03 -.167E+03   -.353E+03 -.331E+03 0.181E+03   0.314E+02 0.385E+02 -.141E+02   -.883E-04 0.365E-04 -.184E-03
   -.141E+03 0.443E+02 0.136E+03   0.165E+03 -.619E+02 -.182E+03   -.233E+02 0.178E+02 0.453E+02   -.368E-03 0.430E-04 -.944E-04
   -.326E+03 -.419E+03 0.406E+03   0.352E+03 0.451E+03 -.437E+03   -.261E+02 -.329E+02 0.310E+02   -.388E-03 -.118E-03 0.172E-03
   0.161E+03 -.508E+03 -.993E+02   -.192E+03 0.535E+03 0.130E+03   0.322E+02 -.278E+02 -.312E+02   -.164E-03 -.187E-03 -.860E-05
   -.320E+03 -.110E+03 -.155E+02   0.355E+03 0.874E+02 0.509E+02   -.345E+02 0.231E+02 -.356E+02   -.391E-03 -.588E-04 0.121E-03
   -.243E+02 -.923E+02 0.864E+03   -.509E+01 0.115E+03 -.905E+03   0.297E+02 -.228E+02 0.411E+02   -.155E-03 -.213E-03 -.310E-03
   -.240E+03 0.173E+03 0.667E+03   0.279E+03 -.196E+03 -.689E+03   -.402E+02 0.229E+02 0.215E+02   -.345E-03 -.164E-03 -.199E-03
   0.122E+03 0.397E+03 0.299E+03   -.153E+03 -.430E+03 -.279E+03   0.309E+02 0.334E+02 -.206E+02   0.594E-04 0.184E-04 -.116E-03
 -----------------------------------------------------------------------------------------------
   -.131E+02 -.184E+02 -.591E+01   0.409E-10 0.415E-11 0.159E-11   0.131E+02 0.184E+02 0.590E+01   0.150E-02 -.772E-02 -.395E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.77680      3.16739      1.42041         0.436522     -0.299149     -0.537337
     12.61982      3.60403      2.71686         0.105742     -0.115300      0.471067
     12.59583      4.97647      3.02067         0.087056      0.241288      0.231946
     12.86131      4.07446      0.37547         0.214226     -0.212927     -0.158552
     12.87440      5.42779      0.68922         0.160675      0.347583     -0.405665
     12.76563      5.95357      1.99456         0.021291     -0.403463      0.167690
     12.83142      1.67955      1.37389        -0.435184      1.639662      2.717558
     12.41045      2.36812      3.57468         0.477567     -0.317978     -1.957345
     12.85893      7.44250      2.22154         0.206311      0.345492      0.257294
     12.78478      8.06800      3.49798         0.106990     -0.449259      0.027383
     13.06967      9.42889      3.65292         0.117291     -0.030536      0.335965
     13.13916      8.32852      1.15177         0.026008     -0.132972     -0.341903
     13.32566      9.70474      1.29388         0.178661      0.214604     -0.318493
     13.30063     10.24783      2.57216         0.587272      0.231862     -0.544373
     13.56830     11.66022      3.02048        -0.994504     -4.552380      3.079298
     13.19794     10.27396      4.88958         0.491768      1.150941     -2.259252
     13.60478     12.78680      5.30515         0.133511     -0.008557      0.026833
     13.26150     12.71679      6.65048        -0.064522     -0.494444      0.118737
     13.30297     13.83146      7.44962         0.220968      0.369688      1.339845
     13.90567     14.09941      4.86808         0.166630     -0.182000     -0.832417
     13.93507     15.23996      5.68804        -0.120631     -0.571525      0.766764
     13.66277     15.14542      7.08865         0.059523     -0.186100      0.186190
     13.70399     16.26363      8.11978         0.108837     -0.117375      0.189771
     13.19275     16.19264      9.46559         0.233500      0.216933      0.012614
     13.35615     17.27373     10.34290        -0.038876      0.052762      0.274831
     14.25675     17.53313      7.82836         0.147710     -0.337852     -0.263877
     14.33974     18.61627      8.67622         0.246232      0.316287     -0.139385
     13.92401     18.49783      9.97879        -0.158398     -0.251516      0.499891
     12.48597     14.99987     10.06985         0.708285      0.110941     -0.412925
     14.38299     16.52031      5.07078         0.548873     -0.803158     -0.368733
      9.68569      3.84679      4.80732        -0.094193     -0.268414      0.524200
      9.86698      4.78279      3.82647        -0.136036      0.399764     -0.825731
     10.00717      6.13322      4.13969        -0.063031      0.428478      0.107550
      9.60402      4.21777      6.13156         0.090436     -0.103229      0.147849
      9.70061      5.56503      6.45373        -0.005326     -0.197913      0.420516
      9.93347      6.56881      5.49594        -0.063018     -0.395037     -0.619214
      9.57818      2.50253      4.23580        -0.130290     -0.044667     -0.336792
      9.90239      4.05575      2.50596        -0.352970     -1.009283      2.168026
     10.05698      7.99233      5.88284         0.083410      0.562359     -0.187891
     10.31343      8.99443      4.91403        -0.064344     -0.563565     -0.355942
     10.36948     10.32082      5.27877        -0.138801      0.660103     -0.710203
      9.91061      8.44355      7.21047        -0.142837     -0.163785      0.415220
     10.02835      9.78899      7.58099        -0.153786     -0.034080      0.331489
     10.25391     10.72343      6.58496        -0.223135      0.366815      0.675220
     10.39986     12.20637      6.67174         0.167916     -1.985631     -2.455690
     10.61845     11.54762      4.45002         0.493329      0.242505     -0.003746
     10.94734     14.04237      4.98347        -0.149757      0.103361      0.044618
     11.41740     14.39417      3.71366        -0.193613     -0.309646     -0.086782
     11.72640     15.71039      3.43273         0.611526      0.443185     -0.275552
     10.90083     15.11941      5.90273        -0.170475     -0.172680      0.321028
     11.16176     16.47284      5.58741        -0.124052      0.001870     -0.175844
     11.59678     16.84255      4.26193        -0.228475      0.151248      0.215301
     12.01906     18.24064      3.78457         0.077393     -0.218944     -0.690826
     12.49375     18.58538      2.46092         0.223453      0.047077      0.439798
     12.64527     19.95813      2.15665        -0.067577      0.485190     -0.454325
     11.89639     19.36577      4.61844        -0.087334     -0.823423      0.845358
     12.06151     20.69899      4.34337         0.256324      0.523627     -0.013909
     12.44799     21.05925      3.05438         0.045698      0.022499     -0.007357
     12.78637     17.57823      1.26901        -0.404410      0.280042      0.610618
     10.89241     17.46876      6.74073         0.354339     -0.284614     -0.906788
     10.10414      7.18150     14.59510         0.203254     -1.380099     -0.261456
     10.00275      7.60383     15.89537        -0.117769      0.407540      0.950308
      9.98199      8.97632     16.19999         0.310908      0.187065      0.265080
     10.16358      8.08286     13.55557         0.106029      0.530453     -0.443010
     10.18966      9.45329     13.87094         0.241782     -0.183161     -0.186280
     10.13186      9.97118     15.18189         0.142806     -0.484807      0.487452
     10.00434      5.67912     14.57799         0.420839     -0.314024     -0.086394
      9.71510      6.38818     16.77406         0.785924      0.026215     -2.632314
     10.22343     11.45902     15.47809         0.181776      0.303400      0.344805
     10.15454     12.03259     16.78817         0.118534     -0.346206     -0.044848
     10.34040     13.41237     16.99743         0.153191     -0.255717      0.259972
     10.45119     12.39598     14.43969         0.125787     -0.039673     -0.302327
     10.59925     13.77159     14.64106         0.185543      0.117052     -0.378963
     10.53825     14.26814     15.93642         0.474851      0.158528     -0.390688
     10.67709     15.67320     16.41322        -0.469818     -2.442980      1.834797
     10.31639     14.25645     18.25140         0.567947      1.146283     -2.004360
     10.49704     16.83075     18.66861         0.238992      0.615784      0.014882
     10.14743     16.78447     20.01273         0.069062     -0.525388     -0.013295
      9.99987     17.94558     20.74289        -0.101693      0.399992      1.018384
     10.70658     18.17906     18.21905         0.437826     -0.177380     -0.504365
     10.67789     19.35075     19.01082         0.208416     -0.436524      0.505394
     10.29525     19.28576     20.40289         0.062401     -0.105174     -0.098209
     10.18003     20.43829      0.16584         0.132512     -0.169307     -0.392781
      9.73807     20.34058      1.52747        -0.058508      0.572444     -0.117401
      9.66662      0.21029      2.35846        -0.097683     -0.020191     -0.006327
     10.52134      0.51948     21.11863         0.261274     -0.194347     -0.441539
     10.28033      1.66129      0.61416         0.081286      0.228172     -0.714732
      9.85560      1.54639      1.92077        -0.340445     -0.308287      0.688546
      9.35188     19.07247      2.22187        -0.054989     -0.331291     -0.682931
     11.03380     20.67739     18.36091         0.410868     -1.007412      0.426046
      7.05796      7.61898     17.53592         0.014627      0.144899      0.331634
      7.22257      8.57239     16.55244        -0.370712     -0.088754     -0.394170
      7.41027      9.91923     16.86774        -0.167846      0.549391      0.060362
      7.06810      7.99717     18.87410         0.099856     -0.451528     -0.085257
      7.12324      9.34812     19.17703        -0.038023      0.406118      0.488601
      7.29889     10.37436     18.21195        -0.030330     -0.423620     -0.534192
      6.90090      6.27456     16.93296         0.296079      2.332016     -1.602273
      7.20217      7.85495     15.22308         0.152747     -1.046659      1.392522
      7.33103     11.82343     18.59548         0.012654      0.510759     -0.274154
      7.56229     12.90371     17.68929        -0.138778     -0.455894     -0.337147
      7.51130     14.22790     18.12146        -0.162042      0.419338     -0.777645
      7.08531     12.21810     19.91750        -0.097489     -0.104520      0.393641
      7.06471     13.54556     20.34908         0.065188      0.027926      0.087746
      7.27104     14.55724     19.43329        -0.272975      0.265332      0.703448
      7.30725     16.04266     19.63336         0.424063     -1.622783     -2.912537
      7.74913     15.52144     17.38684        -0.174395      0.213940      0.940612
      7.77945     18.01152     18.06724        -0.259304      0.123823      0.133611
      8.39609     18.43574     16.89064        -0.170095     -0.457444     -0.177889
      8.67223     19.76807     16.67566         0.341011      0.718205      0.237096
      7.49714     19.06983     18.97987        -0.422764     -0.377754      0.476712
      7.63429     20.44172     18.67708        -0.057677      0.246770     -0.504899
      8.23773     20.87993     17.43516        -0.472264     -0.039194      0.283703
      8.58472      1.06420     17.00788         0.217055     -0.347642     -0.452676
      9.00795      1.37362     15.68219         0.354085      0.187807      0.276006
      9.34827      2.74390     15.36289         0.195678     -0.088954     -0.163418
      8.61881      2.19380     17.87744        -0.038020     -1.100438      0.656796
      8.95406      3.48925     17.57986         0.208477      1.103242      0.243074
      9.35602      3.84580     16.28886         0.309697     -0.590707     -0.937109
      9.22694      0.27801     14.53681         1.098420      2.199918      0.730920
      7.16547      0.18217     19.74840         0.193987     -0.473014     -0.826469
      7.01970     10.85688      6.12256        -0.073917     -0.341003     -0.362441
      6.83784     11.33877      7.40198        -0.216728     -0.328956      0.617937
      6.96064     12.69147      7.71160        -0.060966      0.371678      0.178158
      7.36547     11.71882      5.09673        -0.093594     -0.177934     -0.213439
      7.49413     13.07188      5.40440        -0.031875      0.228518     -0.270934
      7.28480     13.62905      6.68723        -0.198534     -0.398479      0.281905
      6.87723      9.37354      6.11242        -0.153711      0.665778      1.161595
      6.56613     10.14370      8.29492         0.408879     -0.127982     -2.255182
      7.39077     15.10615      6.92009        -0.147175      0.455968      0.313343
      7.12432     15.75110      8.16407        -0.103127     -0.480628      0.040176
      7.25040     17.13922      8.28095        -0.228156      0.185191      0.553938
      7.75675     15.97776      5.86948        -0.143232     -0.170470     -0.292658
      7.81372     17.35922      5.97619        -0.122726      0.384882     -0.333268
      7.57184     17.94659      7.20838        -0.126514      0.258228     -0.203044
      7.72589     19.37249      7.64917        -0.601737     -1.329120      1.413853
      7.13493     18.03172      9.49488         0.990730      1.003523     -3.053063
      7.47592     20.56997      9.88779         0.242482      0.566423      0.124206
      7.03134     20.55209     11.21318         0.195340     -0.686707     -0.205514
      6.89342      0.43236     11.96104        -0.576108      0.885623      0.829888
      7.84079      0.63219      9.48480         0.406536     -0.290346     -0.309830
      7.87309      1.76402     10.35334        -0.066242     -0.381559      0.686963
      7.36948      1.74184     11.70327         0.365492     -0.134801     -0.158676
      7.34278      2.90730     12.76653         0.148684     -0.281450     -0.500461
      6.86456      2.90523     14.10473        -0.116186     -0.152897      0.623109
      6.78600      4.01148     14.95287        -0.023159     -0.129420      0.692753
      7.79092      4.20698     12.52127         0.204085      0.695929     -0.636818
      7.60941      5.37493     13.29438         0.577435     -0.213278     -0.265094
      7.11392      5.32401     14.59033         0.066355      0.542935     -0.165913
      6.22567      1.73572     14.73612         1.556071     -1.722056     -1.748215
      8.44650      3.02250      9.79618         0.618317     -0.800853      0.183796
      4.02428     11.51146     10.77266         0.136505     -0.310430      0.194481
      3.75395     12.39713      9.74622        -0.102941     -0.196057     -0.551398
      3.82251     13.77006      9.93248         0.018730      0.390142     -0.093664
      4.36698     11.98409     12.02807         0.073404     -0.396637      0.222366
      4.42038     13.36009     12.22500         0.108130      0.081552      0.191138
      4.16705     14.30071     11.20552        -0.071969     -0.248010     -0.385194
      3.87001     10.10941     10.29683        -0.454986      2.083527     -1.588457
      3.38717     11.58854      8.52656         0.544336     -1.006000      1.861394
      4.26880     15.76542     11.44393         0.020737      0.704903     -0.366522
      4.10398     16.71828     10.38705        -0.010237     -0.181108     -0.327839
      4.18897     18.08985     10.64217        -0.135831     -0.171244     -0.713134
      4.58194     16.29920     12.71761         0.098495     -0.053856     -0.020413
      4.74333     17.66736     12.93429         0.245977     -0.449162      0.899283
      4.49011     18.54063     11.91064        -0.365959      0.232963     -0.375492
      4.47631     19.97515     11.89727         0.240932      4.242972      4.267300
      4.22266     19.29391      9.72825         0.088548      0.207631     -0.910539
      4.58203      0.61002     10.13191        -0.310348      0.517655      0.638877
      4.88732      0.94412      8.81168        -0.186363     -0.630335     -0.030209
      5.21627      2.24757      8.47623         0.241498      0.634743     -0.526592
      4.56088      1.75824     10.99221        -0.209025     -0.410746      0.144146
      4.83390      3.10915     10.63132        -0.200369      0.021126     -0.426251
      5.30918      3.40312      9.29702        -0.223459      0.191188     -0.011004
      5.83775      4.79801      8.72913         0.506918      0.190133     -0.624539
      6.27475      5.10227      7.36883         0.229765     -0.409247      0.965969
      6.54297      6.44006      7.02223         0.244818      0.866990      0.076485
      5.84795      5.98171      9.50248        -0.786886     -1.942134      1.414500
      6.10586      7.27138      9.17953         0.061872      1.771592      0.299821
      6.43727      7.59505      7.87818         0.222600     -0.673106     -0.968598
      6.38471      4.00730      6.26778        -0.354025      0.385216      0.453999
      4.65732      4.14048     11.78542         0.240845     -0.585764     -0.770972
      1.28092     14.36301      0.70007        -0.291072     -0.624308      0.388295
      1.81075     14.76275      1.90976        -0.039040      0.426421      0.614601
      1.72537     16.13956      2.25714         0.023531      0.113625      0.256935
      0.78820     15.26040     21.03421        -0.633454     -0.776356     -0.858077
      0.79429     16.58804      0.08034        -0.029544      1.073427     -0.037151
      1.19786     17.11462      1.32813         0.009112     -0.605229      0.403509
      1.32060     12.90170      0.60747         0.375747     -0.168069      0.348618
      2.43640     13.48711      2.57423        -2.467962      0.841679     -4.061149
      1.05913     18.60683      1.53167         0.044397      0.189382      0.878142
      1.40955     19.29309      2.73926        -0.157739     -0.459494     -0.170553
      1.24142     20.67844      2.81655         0.238361     -0.343224      0.786738
      0.55564     19.43697      0.50025        -0.292027     -0.194573     -0.548392
      0.38391     20.81292      0.58448         0.025998      0.057166      0.272843
      0.73134      0.15994      1.77791        -0.501591      0.247660     -0.831035
      0.75196      1.60517      2.08726         0.523565     -1.374772      1.409309
      1.63736      0.38133      3.90673        -1.209102      0.478372     -2.528775
      1.50502      2.93602      4.07746        -0.240035     -0.010144     -0.254152
      2.05468      2.92066      5.33935        -0.158300      0.097416     -0.161751
      2.20794      4.10812      6.00832         0.052264     -0.120935      0.908351
      1.13486      4.22863      3.62123        -0.403069      0.148770     -0.502448
      1.32296      5.43632      4.33382         0.309084     -0.919117      0.737290
      1.94242      5.43672      5.62829        -0.160652      0.356204      0.053883
      2.28819      6.66952      6.51000        -0.455870      0.124723     -0.514603
      2.85237      6.60597      7.79236        -0.515967     -0.029712     -0.346459
      3.29580      7.71351      8.52338        -0.359395      1.039967      0.090489
      2.17108      8.03350      6.13239        -0.535066     -0.270827     -1.445685
      2.59429      9.15589      6.81613         0.065542      0.909369     -0.367539
      3.16360      9.06504      8.08811        -0.039036     -0.726480      0.436541
      3.05820      5.28474      8.41785        -0.673809      0.829100      0.255982
      0.78272      6.68583      3.73161        -0.462373     -0.639011      0.172712
      4.63944     14.06356      0.73373         0.246421     -0.035824     -0.089989
      3.95711     14.97607     -0.05491         0.093148      0.478843     -0.294609
      3.95905     16.35619      0.31519         0.034397      0.178567     -0.180001
      5.38946     14.51151      1.82211         0.131283     -0.376973     -0.067504
      5.41464     15.86461      2.14092         0.181310      0.358899      0.232856
      4.69377     16.86897      1.44338        -0.174944     -0.139113     -0.421076
      4.50861     12.68486      0.17789        -1.324780      1.870540     -1.260891
      3.32799     14.16459     20.03654         2.039976     -1.419785      3.096482
      4.76177     18.35784      1.89480        -0.116756      0.155289     -0.262377
      4.07905     19.45678      1.27121        -0.027270     -0.290176     -0.261968
      4.21890     20.78191      1.73749        -0.116852     -0.054074     -0.259492
      5.57674     18.74680      2.99306         0.011558     -0.437455     -0.041477
      5.72397     20.05343      3.45620         0.220034     -0.011210      0.303363
      5.02261     21.06492      2.82849         0.146111      0.192524      0.022718
      5.03234      1.26616      3.10772        -0.869862      0.040241     -1.196024
      3.64247      0.85229      1.26347         1.655029     -0.046875      1.883233
      3.84456      3.32894      2.13573         0.126013     -0.069279     -0.171837
      2.97108      3.91238      1.20784         0.854119      0.109099      0.221462
      2.73306      5.28008      1.19073        -0.485974      0.112420     -0.024993
      4.30169      4.28251      3.06904         0.558331      0.148856      0.522094
      4.09401      5.70148      2.98324        -0.408007     -0.748328     -0.892565
      3.36730      6.33017      1.95650        -0.237956      0.263416     -0.263480
      3.20400      7.98768      1.81988        -0.790512     -0.114851     -0.456078
      2.24505      8.62799      0.94606         0.496296     -0.976915      0.696097
      2.03292      9.98450      0.79623        -0.209063      0.857886      0.545000
      3.69933      9.00942      2.64705         0.805498     -0.920449      1.556243
      3.34264     10.35524      2.66762         0.374197      1.017035      1.063780
      2.53483     10.96573      1.72696        -0.999243     -0.352562     -1.116620
      1.62277      7.67324      0.01252         1.075783     -0.758209     -0.076436
      4.71417      6.53146      4.02197         0.806008     -0.814125      0.358309
     18.31253     17.31893     13.34897        -0.817748     -0.077167     -0.049538
     19.33922     17.82381     14.11898         0.030289     -0.379146      0.482599
     19.54007     19.19077     14.27106         0.113986      0.411013      0.128188
     17.43939     18.19428     12.70191        -0.191931     -0.358718      0.057368
     17.62888     19.56481     12.88440        -0.361977      0.132906     -0.207655
     18.66317     20.12363     13.66370         0.240015     -0.498087      0.149695
     18.31210     15.81545     13.41332         2.661324      3.128699      2.009598
     20.09655     16.65843     14.66506         0.367435     -0.564831      0.375963
     18.80239      0.33470     13.86838         0.110790      0.616598      0.309619
     19.84931      0.93060     14.63119         0.041712     -0.502181      0.175344
     19.81046      2.28951     14.93412         0.542388      0.365855      0.691772
     17.81345      1.23421     13.41264        -0.217191      0.145612     -0.151992
     17.80744      2.60866     13.68142        -0.478372      0.188927     -0.186210
     18.82595      3.13179     14.45866        -0.396613      0.430772      0.187750
     19.00802      4.52230     15.00213         1.192813     -1.224872      0.514553
     20.65979      3.11050     15.88880        -1.640196      0.822985     -0.609740
     20.73999      5.61504     16.58342        -0.572267     -0.148252     -0.189125
      0.76392      5.56948     17.10371         1.464489      0.774752      0.555353
      1.45526      6.76358     17.45548        -1.590725      0.074596     -0.729424
     20.20358      6.92723     16.56255        -0.728724      0.106252     -0.124966
     20.79945      8.07091     17.18449        -0.215517     -0.312968      0.210889
      0.86458      8.05425     17.68829         0.891826     -0.536860      0.293762
      1.70856      9.21292     18.36424         0.481110     -1.371489     -0.490063
      3.02601      9.11038     18.97499        -0.104922      1.009008     -0.029131
      3.62506     10.25849     19.59095         0.542063     -0.958689      0.686769
      1.18969     10.45147     18.59511        -2.424344      1.693027     -0.521200
      1.81049     11.62642     19.04823         1.161189     -0.621006      0.362104
      3.09499     11.57821     19.61970        -0.905052      0.090179     -0.598851
      3.88029      7.86741     18.94613        -0.894200     -0.942560     -0.729024
     19.91506      9.28458     17.31823        -0.809336     -0.469175     -0.089522
      2.01851     18.13969     14.14028         0.675509     -0.265238     -0.195734
      1.28169     19.09941     13.48699        -0.412206      0.069145     -0.276521
      1.42481     20.44132     13.78716        -0.043868      0.714477      0.232401
      3.04139     18.53508     15.00034         0.091929     -0.326485      0.220323
      3.28535     19.90005     15.18737        -0.023585     -0.243465      0.367005
      2.43142     20.90345     14.67105        -0.443789     -0.296979     -0.059139
      1.68532     16.78633     13.58692        -1.770011      4.938255     -0.441465
      0.36749     18.43116     12.51278         1.597456     -1.350226      1.004942
      2.59519      1.08794     14.98462        -0.339847      0.813152     -0.120428
      1.83076      2.10107     14.33055        -0.458684     -0.977157     -0.088634
      2.09583      3.43588     14.55377        -0.813231      0.438327     -0.584902
      3.57329      1.56056     15.88051        -0.102595     -0.013553      0.368987
      3.82225      2.92758     16.12153         0.426277     -0.654532      0.363638
      3.07118      3.83934     15.42675         0.218290      0.516994      0.015012
      3.09501      5.29864     15.45951         2.383576      2.021970      1.672736
      1.35610      4.66815     14.11818         0.501205      0.246866      0.242185
      1.52325      7.20380     14.71649         0.294382      0.231431     -0.438887
      0.26360      7.51783     14.18734         0.037240      0.073065     -0.239233
     21.05676      8.83448     14.19210        -0.471707      0.179370      0.023595
      2.16467      8.34093     15.31284         0.214182     -0.248684     -0.027179
      1.68128      9.67679     15.29511         0.218735     -0.290542     -0.425603
      0.41665      9.99332     14.69849        -0.011722      0.237768     -0.242957
     20.94720     11.35454     14.66467        -0.098641     -0.119732     -0.059669
     19.61770     11.59392     14.13467         0.251415      0.434413      0.375017
     19.19003     12.93200     14.01008        -0.386297      0.406622     -0.142170
      0.32698     12.55449     15.05955         0.390581     -0.421323     -0.093500
     -0.12513     13.86269     15.01331         0.045309     -0.187503      0.231684
     19.88727     14.09921     14.44249        -0.019149      0.074252      0.216057
     18.62374     10.54998     13.54859         0.257581     -0.318436      0.016225
      2.58284     10.72804     15.92928        -0.817171     -0.109541     -0.289368
     16.15210      0.42623      5.14636        -0.479123     -0.301978     -0.286003
     16.97168      0.91548      6.13787         0.430256     -0.165827      0.622693
     17.05652      2.28204      6.42158        -0.021339      0.359504      0.308673
     15.29180      1.28402      4.48767        -0.049577     -0.145796     -0.020270
     15.34863      2.64392      4.79678        -0.325068      0.090100     -0.231728
     16.23822      3.21996      5.72008         0.262184     -0.520969      0.357030
     16.38514     20.22399      4.93795         1.242929      1.475759      1.879273
     17.70830     20.99207      6.72814        -1.459735     -0.120844     -1.753704
     16.27913      4.70157      5.96240         0.236167      0.383756      0.379436
     17.16302      5.32404      6.89309         0.002503     -0.586258      0.083829
     17.11983      6.70005      7.10806         0.267874      0.154621      0.500649
     15.40291      5.58950      5.29952        -0.192667     -0.139209     -0.231235
     15.37258      6.96727      5.50481        -0.161633      0.350086     -0.189192
     16.25619      7.52540      6.41395        -0.239829      0.323045     -0.163604
     16.43072      8.94738      6.84820         1.102934     -1.622302      0.855929
     17.82501      7.55279      8.13738        -1.478970      0.653283     -1.416674
     17.88141     10.09001      8.59177        -0.193889      0.465764      0.044357
     18.89879      9.99760      9.53201        -0.344953     -0.552451     -0.238580
     19.43713     11.11322     10.11719         0.772642      0.580092      0.609018
     17.45980     11.44033      8.37207        -0.443652     -0.222645     -0.200162
     17.94466     12.56527      9.07905         0.304134     -0.189878      0.413035
     19.02221     12.45837     10.05414        -0.297826     -0.026840     -0.226279
     19.74409     13.58008     10.85124        -0.551451     -0.042075     -0.554458
     20.96366     13.48591     11.59558         0.012032      1.129219      0.106037
      0.34568     14.61224     12.13622        -0.099971     -0.548684      0.005944
     19.27787     14.91403     10.84445         0.206051      0.463563      0.045831
     19.95145     16.06007     11.34698        -0.620787     -0.288773     -0.373924
     21.16860     15.93391     12.01521         0.163263      0.230219     -0.168479
      0.46665     12.24802     11.84532        -0.450084     -0.756761     -0.567019
     17.27825     13.88342      8.73899        -0.271957     -0.773105      0.683732
     20.28929      1.27969      6.16676         0.190958     -0.444422      0.039659
     19.74272      2.33680      5.44883        -0.193614     -0.178058     -0.705618
     19.81532      3.63854      5.88302         0.270769      0.210489      0.230975
     20.84059      1.51172      7.41705         0.143502     -0.556140     -0.064274
     20.92330      2.82486      7.85743         0.226224     -0.002224      0.424587
     20.46120      3.92410      7.11678        -0.421999      0.097268     -0.665287
     20.05969     -0.00368      5.40817        -0.664731      3.446741     -0.409467
     19.00977      1.76903      4.24970         1.216772     -0.381174      1.271369
     20.62355      5.32825      7.53742        -0.288699      1.120265     -0.169642
     20.22052      6.39104      6.67114        -0.356985     -0.708450     -0.094790
     20.46948      7.70541      7.02652        -0.519437      0.348375     -0.757550
     -0.07289      5.72421      8.76628        -0.132160     -0.419925      0.372561
      0.20769      7.04771      9.09698         0.098888     -0.370893      0.503668
     21.11667      8.01830      8.19451         0.123445      0.691523      0.162373
      0.00529      9.47664      8.29197         0.040636      0.373149     -0.071645
     20.07108      8.99443      6.34726        -0.075896     -0.070624      0.221203
     20.32252     11.47928      6.96563         0.127679      0.273618     -0.202285
     19.48976     11.89708      5.91761         0.289332     -0.508401     -0.068570
     19.20643     13.23075      5.71767        -0.401344      0.656399     -0.369820
     20.83773     12.56984      7.72618         0.503418     -0.119458      0.245769
     20.60635     13.94570      7.45289        -0.104584     -0.071549     -0.352104
     19.69161     14.36030      6.42166         0.069525     -0.049741     -0.141644
     19.15927     15.78382      6.14461        -0.144295      0.140289     -0.427208
     18.26137     16.18803      5.08949         0.375750     -0.031496      0.102472
     17.77788     17.50412      4.99609        -0.132206      0.364179     -0.335199
     19.42792     16.90325      6.96829         0.775687     -0.606033      0.522031
     18.91334     18.17911      6.92736         0.084587      0.458019      0.161657
     18.00738     18.53806      5.93970        -0.103140     -0.228650     -0.390846
     17.74630     15.23283      4.02429         0.432566      0.147755      0.442799
      0.09633     14.97818      8.29390        -0.169721     -0.799162     -0.936632
     12.34751      5.28886      4.03516         0.391512     -0.049350      0.074830
     12.91855      3.73288     20.59246         0.081267      0.097474      0.211255
     12.99682      6.10112     21.10606        -0.086611      0.168810     -0.095053
     12.47412      7.48749      4.36492         0.267162     -0.081508      0.166364
     13.24782      7.93757      0.14354        -0.050233     -0.069126     -0.095434
     13.55191     10.32896      0.41291        -0.141560     -0.199735      0.304952
     13.04716     13.58494      8.48325         0.292920      0.195011     -0.931986
     12.83683     11.83701      7.13553         0.550037     -0.168275     -0.297896
     14.00508     14.26860      3.79667         0.434284     -0.100646      0.181022
     13.00953     17.13365     11.36145        -0.112364      0.085812      0.166292
     14.52448     17.81961      6.83227         0.420860     -0.343063      0.519238
     14.69305     19.55590      8.23180         0.061385     -0.072668      0.342393
     10.21416      6.84697      3.34337        -0.203785     -0.003905     -0.091852
      9.39199      3.45685      6.87251         0.333747      0.247892     -0.115825
      9.54362      5.81900      7.49830         0.152773      0.143682      0.133580
     10.56498      8.70734      3.89459        -0.491123      0.168112     -0.083096
      9.64958      7.73841      8.00329         0.135370     -0.027658     -0.068460
      9.89455     10.09697      8.62786         0.098049     -0.095372     -0.228431
     12.30417     15.76881      2.52252        -0.333226      0.154568      0.235316
     11.73156     13.67339      2.95083        -0.495796      0.044957      0.310367
     10.76548     14.87619      6.95149        -0.428643      0.053278     -0.087872
     12.69899     20.21268      1.10505         0.673913     -0.022331     -0.040319
     11.69817     19.23306      5.66838        -0.123575     -0.056441     -0.454655
     11.82886      0.13698      5.16304         0.288006     -0.058172     -0.537444
      9.76762      9.29284     17.22203         0.377573     -0.138548      0.076718
     10.11861      7.76555     12.50321         0.192803      0.037545      0.317922
     10.26793     10.12118     13.02942        -0.051954      0.382190     -0.324424
      9.86959     11.40724     17.63140         0.308541     -0.080885      0.188329
     10.55280     12.05051     13.41300        -0.039874     -0.086895     -0.084336
     10.81110     14.44048     13.79131        -0.167436     -0.214160      0.237306
      9.73350     17.67936      0.49531        -0.268919      0.335794     -0.745013
      9.96602     15.86276     20.57960         0.081453      0.111938     -0.503441
     10.80117     18.33379     17.15051         0.621361     -0.049297      0.029414
      9.61881      0.02018      3.41989        -0.623631      0.123384      0.077920
     10.98875      0.79080     20.18129         0.041561     -0.292030      0.684455
     10.53079      2.60724      0.11753        -0.247692     -0.151052      0.433162
      7.74382     10.60637     16.09071        -0.492696      0.089048     -0.164726
      6.92394      7.24212     19.65450         0.250812      0.207657     -0.133178
      6.95968      9.60840     20.22396         0.245348      0.068086      0.011732
      7.86642     12.68573     16.66662        -0.439468      0.134623     -0.126065
      6.81232     11.48401     20.66614         0.204484     -0.202943      0.072538
      6.81908     13.79237      0.11776         0.375672     -0.109637      0.016909
      9.51637     19.85909     16.00966        -0.544240      0.278164     -0.229588
      8.87019     17.75456     16.17790        -0.426847     -0.029455      0.252215
      7.22490     18.81767     20.00855        -0.295819     -0.004216     -0.322176
      9.48323      3.00843     14.31308         0.476485     -0.282744      0.184302
      8.53568      2.06058     18.95394        -0.410285     -0.127268     -0.366525
      8.84605      4.22051     18.39687         0.339757     -0.238441     -0.425526
      6.80886     13.02420      8.74182         0.025880     -0.061594     -0.039339
      7.54746     11.33362      4.08390        -0.061054      0.175588      0.180081
      7.78951     13.70644      4.57943         0.018972      0.302933     -0.159504
      6.81330     15.15837      9.02933         0.112192      0.115498      0.035957
      8.04757     15.58054      4.90706        -0.008532     -0.246011     -0.265454
      8.16929     17.97192      5.13885        -0.386650     -0.279700      0.116974
      6.19433      0.26345     12.78203         0.726044      0.119321     -0.410511
      6.64184     19.64202     11.67331         0.318488     -0.001199     -0.178078
      8.11410      0.79835      8.44299         0.133450     -0.055034      0.171039
      6.60315      3.78396     16.00133        -0.348048      0.279938     -0.262876
      8.10980      4.48389     11.53347         0.472069     -0.084869      0.560629
      7.93562      6.26829     12.76908        -0.158306      0.301312      0.370445
      3.58797     14.44157      9.10709        -0.020348     -0.092360     -0.079436
      4.56853     11.28766     12.85137        -0.022282      0.166077     -0.156918
      4.66295     13.69282     13.22545         0.107317      0.190412      0.234601
      3.96751     16.38825      9.35062        -0.119023      0.044017      0.176579
      4.63720     15.66119     13.59909         0.244051     -0.135974     -0.161589
      5.01156     18.04859     13.92706         0.157980     -0.174170     -0.443442
      5.42813      2.29378      7.41776        -0.022289      0.170845      0.426803
      4.94949      0.20532      8.00376        -0.202787      0.073254      0.305898
      4.46312      1.56646     12.05085        -0.561271     -0.032769      0.053687
      6.76516      6.63874      5.99364         0.379199      0.021030     -0.304057
      5.45185      5.94743     10.51374         0.376238     -0.066902     -0.717351
      5.86740      8.02211      9.96370         0.511619     -0.385862     -0.634134
      2.10805     16.46505      3.22966        -0.058271     -0.015997     -0.037645
      0.45677     14.93743     20.03349         0.040749     -0.000821      0.483572
      0.53455     17.26295     20.52976        -0.254769      0.089663      0.009692
      1.82777     18.74902      3.59016        -0.040762      0.065528     -0.003261
      0.26483     19.02813     20.80025        -0.013080     -0.330593     -0.157045
      0.03729      0.16401     21.00910        -0.066138     -0.159952     -0.090693
      2.52909      3.80936      6.97812        -0.185847      0.355256     -0.494921
      2.34099      2.02257      5.87678        -0.062343     -0.075530     -0.227829
      0.71470      4.32815      2.62714        -0.219898     -0.115301      0.114874
      3.72105      7.53723      9.48762        -0.060737     -0.004746      0.402251
      1.83260      8.29626      5.12210         0.023972     -0.156149      1.008362
      2.49919     10.10821      6.26607        -0.030005     -0.286115      0.540370
      3.29880     17.04274     21.04889         0.247493      0.042120     -0.406845
      6.02169     13.79844      2.36813        -0.263824      0.154494      0.097168
      6.06025     16.13372      2.97131         0.024610      0.149408      0.162103
      3.40280     19.26096      0.43897         0.126633      0.097132     -0.155143
      6.16578     18.00696      3.51789         0.071043     -0.303933      0.092355
      6.40387     20.29061      4.28388        -0.130201     -0.135640     -0.063407
      1.89189      5.40825      0.52335         0.489485      0.176282      0.257567
      2.42959      3.36034      0.46626        -0.191411     -0.494646     -0.204839
      4.83125      3.95164      3.95552         0.064251     -0.081048     -0.339246
      1.50192     10.26348     21.16158        -0.606110      0.218076      0.144856
      4.20361      8.74897      3.59163         0.191223      0.546084     -1.314605
      3.69903     10.90345      3.55135         0.041911      0.111033     -0.383395
     20.45004     19.54110     14.74951        -0.148963     -0.024514      0.495058
     16.60396     17.81421     12.09127         0.275910      0.144899      0.148839
     16.91428     20.21482     12.38696        -0.042535      0.147089     -0.082670
     20.67300      0.31333     15.00836        -0.228590      0.163945      0.169424
     16.97604      0.85919     12.83949        -0.225430     -0.153815     -0.145704
     16.97574      3.25542     13.35038         0.321593     -0.301440     -0.021110
      2.49989      6.69386     17.22019         0.009095     -0.042256      0.650962
      1.42764      4.69833     17.04380        -0.577185     -0.012109      0.123797
     19.30883      7.09112     15.95348        -0.069448     -0.034998      0.595412
      4.47065     10.03475     20.25232         0.086284      0.174583     -0.528200
      0.16727     10.71736     18.22966         1.395325     -0.489963      0.675000
      1.30515     12.53125     18.77524        -0.205102      0.545360      0.432277
      0.72031     21.14678     13.36871        -0.043167      0.184161     -0.424244
      3.71790     17.77908     15.44139        -0.446892      0.370513      0.014141
      4.20316     20.15334     15.71639        -0.142035      0.170826      0.231697
      0.94670      1.80717     13.75639         0.319647      0.205584     -0.315113
      4.32506      0.85863     16.24538        -0.652751     -0.028445      0.499382
      4.71082      3.24024     16.69181        -0.737727     -0.050117      0.161381
     20.04412      8.88964     13.82316         0.380433     -0.022786      0.065059
     20.78751      6.79058     13.83017         0.565015     -0.066893     -0.130145
      2.96821      8.14174     16.01395         0.625485      0.130858     -0.647068
     18.32642     13.11698     13.39131        -0.503544     -0.071479      0.217025
      1.36221     12.56199     15.35691        -0.406432     -0.132505     -0.422042
      0.61690     14.61359     15.32349        -0.743249     -0.076889     -0.133608
     17.80611      2.64620      7.12919        -0.303544     -0.210103      0.192861
     14.56775      0.86911      3.78413         0.233961      0.223565     -0.042556
     14.63290      3.26931      4.28505        -0.036042      0.318823     -0.151723
     17.89317      4.71822      7.43439        -0.154477      0.106061      0.146531
     14.69620      5.20581      4.57653        -0.161866     -0.203417     -0.188934
     14.65820      7.60890      4.97117         0.244879     -0.282039      0.088372
     20.34331     10.82893     10.62592        -0.456547      0.300282     -0.202043
     19.40198      9.06130      9.76766        -0.376403     -0.041828     -0.026016
     16.72105     11.63232      7.59525        -0.004639     -0.058385      0.172373
      1.14563     14.40001     12.81682         0.602287      0.034896     -0.130062
     18.39861     15.19733     10.27242         0.187363     -0.254331      0.675799
     19.45216     17.00649     11.10684         0.482875     -0.112023      0.220176
     19.35231      4.40886      5.27625        -0.000907      0.109179     -0.092429
     21.17710      0.66997      8.03853         0.045106      0.275522     -0.141206
      0.16504      2.97953      8.80202        -0.017593      0.162509      0.364868
     19.70863      6.16516      5.72396         0.229005      0.233407      0.446162
      0.24738      4.96739      9.47856        -0.431469      0.063182      0.105214
      0.69573      7.29054     10.04296        -0.074099      0.026185     -0.011602
     18.49624     13.33657      4.91478         0.268518      0.025229      0.345913
     19.02752     11.20671      5.21009         0.146092     -0.082859      0.291979
      0.16391     12.34378      8.61397         0.265732     -0.004721     -0.249599
     17.08043     17.68415      4.18942         0.195397      0.199728     -0.156672
     20.08827     16.82601      7.81462        -0.114600     -0.017029     -0.576689
     19.31302     18.87984      7.66214        -0.340382     -0.000039     -0.083680
     14.01789     19.32653     10.68110        -0.132352     -0.065814      0.143364
     18.74451     20.96968      3.74260         0.772165      0.794552      0.353253
     12.54146      1.20920      2.69746         0.497264      0.072732     -0.214473
     13.50383     11.62748      4.45348         0.310203      0.134010     -0.113784
      9.78611      2.64642      2.83020        -0.411136     -0.158461     -0.126164
     10.70010     12.66631      5.34932        -0.518129      0.172269     -0.177764
      9.68639      5.23123     15.89608         0.209254     -0.343524      0.176004
     10.52544     15.65407     17.83395         0.325796     -0.275061     -0.111225
      7.05539      6.44549     15.50691        -0.474112     -0.230033      0.234911
      7.63495     16.59920     18.35110        -0.598651      0.072648     -0.054362
      6.55297      8.96742      7.43533         0.267793      0.107147      0.229683
      7.42498     19.38835      9.05373         0.300189      0.223426     -0.021235
      3.49445     10.19324      8.90918         0.022023     -0.096609     -0.038207
      4.36255     20.48593     10.58756        -0.335205     -0.283647     -0.309073
      2.20798     12.39520      1.61546        -0.466245     -0.535429      0.261006
      1.31046      1.69669      3.38762        -0.135188      0.692594      0.246526
      3.66314     12.75555     20.26673         0.613726      0.053307      0.584392
      4.12099      1.88519      2.17654         0.395966      0.141643      0.292246
     19.45835     15.45240     14.18930        -0.333220      0.038185      0.706620
     20.11590      4.45259     15.92980        -0.333434      0.479650     -0.115560
      0.65973     17.00384     12.63287        -0.725825     -0.159640     -0.972734
      2.04971      5.83041     14.68804        -0.420532      0.054887     -0.252461
     17.40288     19.84305      5.87633        -0.092808      0.039795      0.061873
     17.43987      8.92611      7.86475        -0.261058      0.357296      0.212225
     19.27210      0.40897      4.31669        -0.493496     -1.430945     -0.989544
     20.56917     10.06587      7.19105         0.100000      0.354474     -0.445686
     12.15460      2.31444      4.74172        -0.011972      0.096147      2.023708
     13.05952      0.98319      0.44954         1.255222     -1.743302     -2.828805
     13.04388      9.95719      6.02046        -0.130220     -1.151171      2.620259
     13.71324     12.60286      2.36075         0.962535      4.396208     -3.287705
     10.02927      4.48127      1.40530        -0.144856      1.172719     -2.421056
      9.38544      1.45155      4.80900        -0.212828     -0.258091      0.586811
     10.83209     11.60788      3.24751        -0.644133     -0.093127     -0.165318
     10.29680     12.88325      7.63283        -0.456741      1.848094      2.823523
      9.50440      6.36831     17.94233        -0.040534     -0.011688      2.633012
     10.15323      4.93971     13.61639         0.675936      0.209089     -0.023217
     10.12804     13.92758     19.37565        -0.016830     -1.021030      2.423618
     10.81393     16.65014     15.76512         0.724070      2.771054     -2.213855
      7.38882      8.29440     14.12700        -0.240477      1.034059     -1.829534
      6.74630      5.23574     17.47840        -0.648998     -2.426443      1.672723
      8.05637     15.67741     16.22860        -0.372364     -0.051198     -1.200646
      7.12143     16.67198     20.61702        -0.615417      1.469017      2.790549
      6.42472     10.13392      9.47938         0.012517      0.104055      2.101911
      7.05109      8.61622      5.19428         0.318328     -0.592385     -1.289748
      6.88242     17.72275     10.60484        -0.342584     -1.054855      3.100189
      8.06308     20.34263      7.03419         0.353983      1.257132     -1.337968
      3.07598     11.96096      7.43802        -0.513032      0.964315     -1.990856
      4.02153      9.09595     10.89774         0.263523     -2.151473      1.709929
      4.25401     19.31061      8.49836        -0.252568     -0.038162      0.965510
      4.55008     20.72886     12.99523        -0.540850     -3.186062     -4.481551
      2.96181     13.38452      3.60550         2.149965     -0.454656      4.122014
      0.68892     12.22686     21.08027        -0.848169     -0.277932     -0.188082
      2.13309      0.14614      4.95751         1.177206     -0.705582      2.318599
      0.42345      2.54890      1.42905        -0.957460      1.190567     -1.368120
      2.65405     14.51747     19.14569        -1.897287      1.566692     -3.302154
      4.97993     11.67158      0.58950         1.267232     -2.081700      1.148719
      2.93514      1.07967      0.33847        -1.357966      0.265067     -2.334978
      5.68611      1.88277      3.90460         0.976372      0.260241      0.994611
     -0.14242     16.68156     15.35066        -0.744404      0.165019      0.370096
     17.54502     15.07543     12.94245        -3.540697     -2.917652     -1.695878
      0.33949      2.76500     16.54089         1.257645     -0.917472      1.333319
     18.40187      5.51871     14.71389        -0.897620      1.093838     -0.360827
     20.81665     18.89939     11.77056        -1.022490      0.845373     -1.491374
      2.13604     15.77303     13.94101         2.149157     -4.604186      1.378710
      0.31925      4.73197     13.49849        -0.466375     -0.084607     -0.770087
      3.91521      5.98168     16.14460        -1.447018     -1.357498     -1.830319
     18.38962     20.96930      7.70560         1.088870     -0.105988      1.908870
     15.88682     19.49208      4.14330        -1.258114     -1.342844     -1.893505
     18.48857      7.19279      9.05864         0.846829     -0.780935      1.823662
     15.86154      9.93444      6.48772        -0.970410      1.472847     -0.937771
     18.31678      2.29145      3.42044        -0.867956      1.039463     -1.182369
     20.42751     20.14758      5.60195         1.199516     -2.804822      0.538764
     19.40324      9.12285      5.33152         0.137386      0.015563      0.214061
      0.58470     10.09313      9.17045         0.227145     -0.149658     -0.283052
     13.65032     17.62458      5.33608         0.308581      0.070179     -0.185922
     15.62404     16.80610      5.56534         0.113615     -0.261899      0.007857
     14.49514     16.45488      3.72252         0.255535     -0.022384      0.335905
     11.96522     15.18832     11.31413        -0.100229      0.097182     -0.189512
     11.46522     14.57694      9.25866        -0.098274      0.014963      0.914521
     13.40834     13.96322     10.22152        -0.548646      0.014513      0.600595
     11.93339     18.25436      7.19677        -0.403863     -0.626732      0.316588
      9.99570     18.40216      6.29527        -0.073554      0.015223      0.532851
     10.40239     16.83519      7.83287        -0.198984      0.338048      0.086181
     12.95034     18.25773      0.10773         0.585094     -0.103241      0.081693
     13.88741     16.79382      1.51002        -0.088798      0.769333     -0.709433
     11.79318     16.64212      0.97747         0.572639      0.582838     -0.245821
     10.10581      0.34531     18.68523         0.653471      0.295142     -0.299902
     12.23029     -0.08248     18.81030         0.368872     -0.155781     -0.074400
     11.11923     20.66105     17.01403         0.719397     -0.104223      0.050335
      9.18259     19.20019      3.54990        -0.432459      0.076687      0.420920
      8.18740     18.55140      1.70478        -0.332083      0.156939      0.181594
     10.26415     18.05271      2.06854        -1.222672      0.181723      0.773636
      8.17157      0.81361     20.44679        -0.795543     -0.325924     -0.042637
      6.46640      1.19891     19.15966        -0.731632     -0.273947      0.318994
      6.39138     20.83400     20.68832        -0.218134      0.275221      0.006659
      9.12036      0.91514     13.35931         1.302561      0.656090     -0.786043
     10.48321     21.00398     14.65268         1.164272      0.613850     -0.333059
      8.49869     20.46538     14.37240        -1.159376     -2.207113     -0.237251
      7.61359      4.08567      9.90601         0.713908      0.096526     -0.447118
      9.59923      3.41539     10.44351         0.249777     -0.282973     -0.356116
      8.72992      2.89625      8.47849         0.499953      0.062753      0.373489
      6.17196      1.73146     16.07795        -0.322597     -0.010854      0.047883
      5.03874      1.57482     14.11177        -0.197453     -0.219851      0.555138
      6.86897      0.50266     14.42291        -1.501516      1.758062      1.865426
      5.74766      4.95297     11.89502        -0.870345     -0.107557      0.310177
      3.62040      5.01981     11.75730        -0.658063     -0.318578      0.439850
      4.52240      3.50208     12.95418        -0.303179      0.069882      0.320605
      6.93026      4.42585      5.09923         0.433986     -0.285947      0.251059
      7.14062      2.95985      6.67943         0.226092     -0.103833     -0.266472
      5.14546      3.43586      5.95191         0.676690      0.533109     -0.107498
     -0.08111      7.34627      4.53768        -0.445980      0.111175     -0.078495
      1.74560      7.60266      3.48269        -0.656631      0.084547     -0.340223
      0.10410      6.44756      2.60044        -0.385717     -0.019742     -0.244207
      3.48620      5.46619      9.66078        -0.258016     -0.340206      0.271078
      2.00196      4.41182      8.57558        -0.242310      0.055266      0.630768
      3.91053      4.58451      7.66687         0.424600     -0.055437      0.053875
      5.76196      7.22810      3.49471         0.371472     -0.198156      0.052093
      3.94818      7.42501      4.69317         0.132036     -0.030967     -0.039047
      5.13225      5.73087      5.02557        -0.212553      0.510387     -0.156046
      1.10815      8.16164     20.15598        -1.239678      0.156971      0.477082
      2.73690      6.91670     -0.30259        -0.830589      0.606325     -1.381787
      0.68438      6.77885      0.40196        -0.855736      0.428025      0.414811
     19.71244      9.57215     18.64199        -0.545172     -0.203067      0.148393
     20.38525     10.46038     16.78378        -0.712834     -0.346464      0.272254
     18.69629      9.08480     16.71959         0.349431      0.096997      0.998758
      4.76445      7.83317     19.96733         0.027690     -0.156174     -0.187610
      3.25319      6.60520     18.88660         1.310972      0.777374      1.178717
      4.51185      7.81137     17.73725         0.832379      0.935461     -0.067903
      3.16231     11.52982     14.97507         0.428785     -0.102055     -0.098816
      1.87522     11.60034     16.73521         1.066343     -0.173371     -0.748583
      3.56269     10.24116     16.70942         0.662497      0.041850     -0.719012
     17.53059     11.14214     13.02250        -0.356554      0.073957      0.339081
     19.07332      9.73531     12.50207        -0.333349      0.484982      0.356551
     18.22273      9.63794     14.50782        -0.329122      0.825701     -0.644173
     16.60634     14.35833      9.85766        -0.336955     -0.065606     -0.425053
     18.15366     14.86411      8.39637        -0.626607      0.123919     -0.157966
     16.38010     13.77928      7.73121        -0.026104      0.210107      0.044635
      1.42068     12.29260     12.78594         0.729925      0.297484     -0.040786
     20.89604     11.21501     12.20036         1.192255     -0.098670      0.051845
      1.07415     11.83108     10.70663         0.556871      0.204286     -0.245101
      0.79417     15.85662      7.49519         0.331195     -0.298354      0.183478
     20.53346     15.75210      9.05629         0.814671     -0.082525     -0.127747
      0.95981     14.40951      9.16409         0.543767      0.042174     -0.137148
     17.03348     15.80939      3.02797         0.257293     -0.111316      0.031529
     18.81912     14.58186      3.43743        -0.565944      0.271225     -0.546391
     16.91182     14.26143      4.58261         0.016367      0.548828     -0.652357
 -----------------------------------------------------------------------------------
    total drift:                                0.009637     -0.004512     -0.005508


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4533.8721180793 eV

  energy  without entropy=    -4534.0217055722  energy(sigma->0) =    -4533.92198058
 
 d Force = 0.5616245E+01[-0.373E+01, 0.150E+02]  d Energy = 0.5285167E+01 0.331E+00
 d Force = 0.2869540E+04[ 0.279E+04, 0.295E+04]  d Ewald  = 0.2868877E+04 0.663E+00


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -5.285167  1 .order   -5.616245  -14.963763    3.731273
  (g-gl).g = 0.311E+02      g.g   = 0.328E+02  gl.gl    = 0.429E+02
 g(Force)  = 0.328E+02   g(Stress)= 0.000E+00 ortho     = 0.712E+00
 gamma     =   0.72639
 trial     =   0.44960
 opt step  =   0.35173  (harmonic =   0.35987) maximal distance =0.08077774
 next E    = -4534.281647   (d E  =  -5.69470)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   21(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3184
 total energy-change (2. order) :-0.1217804E-01  (-0.1775339E+02)
 number of electron    2498.0000219 magnetization 
 augmentation part      163.5440929 magnetization 

  free energy =  -0.453388428701E+04  energy without entropy=  -0.453403285932E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   21(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) :-0.4072668E+00  (-0.4946856E+00)
 number of electron    2498.0000219 magnetization 
 augmentation part      163.5198746 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8223
  0.8223

  free energy =  -0.453429155383E+04  energy without entropy=  -0.453444038364E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   21(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3760
 total energy-change (2. order) : 0.1662941E-01  (-0.1131005E-01)
 number of electron    2498.0000219 magnetization 
 augmentation part      163.5252391 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3141
  1.3141  1.3141

  free energy =  -0.453427492442E+04  energy without entropy=  -0.453442366706E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   21(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) : 0.1516951E-02  (-0.7876607E-02)
 number of electron    2498.0000219 magnetization 
 augmentation part      163.5114328 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2788
  2.1351  0.8738  0.8276

  free energy =  -0.453427340747E+04  energy without entropy=  -0.453442240489E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   21(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3640
 total energy-change (2. order) :-0.1725708E-02  (-0.1718791E-02)
 number of electron    2498.0000219 magnetization 
 augmentation part      163.5166950 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3216
  2.3571  1.0137  1.0137  0.9018

  free energy =  -0.453427513318E+04  energy without entropy=  -0.453442396050E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   21(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3648
 total energy-change (2. order) : 0.8867028E-03  (-0.1062142E-02)
 number of electron    2498.0000219 magnetization 
 augmentation part      163.5213710 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2694
  2.3695  1.0700  1.0700  0.9187  0.9187

  free energy =  -0.453427424647E+04  energy without entropy=  -0.453442308327E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   21(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) :-0.8843353E-04  (-0.1997340E-03)
 number of electron    2498.0000219 magnetization 
 augmentation part      163.5204699 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2529
  2.4137  1.0386  1.0386  1.1160  1.1160  0.7947

  free energy =  -0.453427433491E+04  energy without entropy=  -0.453442314547E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   21(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3568
 total energy-change (2. order) : 0.1894665E-04  (-0.2435810E-04)
 number of electron    2498.0000219 magnetization 
 augmentation part      163.5206369 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2500
  2.4734  1.0772  1.0772  1.2617  1.2617  0.7995  0.7995

  free energy =  -0.453427431596E+04  energy without entropy=  -0.453442307495E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   21(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3512
 total energy-change (2. order) :-0.2698641E-04  (-0.1375032E-04)
 number of electron    2498.0000219 magnetization 
 augmentation part      163.5206410 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2358
  2.5189  1.6636  1.0296  1.0296  1.1653  0.9119  0.9119  0.6558

  free energy =  -0.453427434295E+04  energy without entropy=  -0.453442317600E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   21(  10)  ---------------------------------------



 eigenvalue-minimisations  :  2304
 total energy-change (2. order) :-0.1576971E-04  (-0.1598434E-05)
 number of electron    2498.0000219 magnetization 
 augmentation part      163.5204834 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2562
  2.6170  1.9462  1.0785  1.0785  1.1916  0.9300  0.9300  0.9162  0.6180

  free energy =  -0.453427435872E+04  energy without entropy=  -0.453442311665E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   21(  11)  ---------------------------------------



 eigenvalue-minimisations  :  2488
 total energy-change (2. order) :-0.2009701E-04  (-0.1865779E-05)
 number of electron    2498.0000219 magnetization 
 augmentation part      163.5203806 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2267
  2.6534  1.9634  1.3924  1.0578  1.0578  1.0642  0.8616  0.8616  0.7386  0.6157

  free energy =  -0.453427437881E+04  energy without entropy=  -0.453442317968E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   21(  12)  ---------------------------------------



 eigenvalue-minimisations  :  2216
 total energy-change (2. order) :-0.1584200E-04  (-0.4090712E-06)
 number of electron    2498.0000219 magnetization 
 augmentation part      163.5204744 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2741
  2.6385  2.2612  1.6006  1.0499  1.0499  1.3569  0.9255  0.9255  0.9315  0.6880
  0.5873

  free energy =  -0.453427439466E+04  energy without entropy=  -0.453442317094E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   21(  13)  ---------------------------------------



 eigenvalue-minimisations  :  2304
 total energy-change (2. order) :-0.2203483E-04  (-0.3142865E-06)
 number of electron    2498.0000219 magnetization 
 augmentation part      163.5205353 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3086
  3.0645  2.4809  1.5291  1.5291  1.0600  1.0600  0.8954  0.8954  0.9530  0.9530
  0.6913  0.5912

  free energy =  -0.453427441669E+04  energy without entropy=  -0.453442319424E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   21(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2256
 total energy-change (2. order) :-0.1319731E-04  (-0.2398972E-06)
 number of electron    2498.0000219 magnetization 
 augmentation part      163.5205812 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3250
  3.4638  2.5059  1.5241  1.5241  1.0516  1.0516  1.0927  1.0927  0.9212  0.9212
  0.8218  0.6623  0.5918

  free energy =  -0.453427442989E+04  energy without entropy=  -0.453442320735E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   21(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2248
 total energy-change (2. order) :-0.8024770E-05  (-0.9116691E-07)
 number of electron    2498.0000219 magnetization 
 augmentation part      163.5205812 magnetization 

  free energy =  -0.453427443791E+04  energy without entropy=  -0.453442321308E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.8938       2 -56.0941       3 -55.9651       4 -55.7278       5 -55.7289
       6 -56.2419       7 -57.9422       8 -58.2334       9 -56.2424      10 -55.9468
      11 -55.9892      12 -55.7468      13 -55.7115      14 -55.8732      15 -58.0006
      16 -58.0644      17 -56.2674      18 -54.8475      19 -54.6069      20 -55.1159
      21 -55.5497      22 -55.4804      23 -55.5735      24 -55.5920      25 -55.0249
      26 -54.6365      27 -54.8453      28 -54.9596      29 -60.5274      30 -60.4587
      31 -55.5779      32 -55.7937      33 -55.6864      34 -55.2242      35 -55.4588
      36 -55.9539      37 -57.7863      38 -58.0752      39 -56.0122      40 -55.6976
      41 -55.8835      42 -55.6637      43 -55.6987      44 -55.7976      45 -58.0522
      46 -58.1611      47 -56.4810      48 -55.1019      49 -54.8148      50 -55.2746
      51 -55.8398      52 -55.7221      53 -55.5922      54 -55.7819      55 -55.0771
      56 -54.6420      57 -54.8945      58 -56.3324      59 -60.5492      60 -60.7328
      61 -55.8472      62 -55.9363      63 -55.8570      64 -55.6638      65 -55.6848
      66 -56.1460      67 -57.8713      68 -58.1551      69 -56.2048      70 -55.9051
      71 -56.0222      72 -55.7032      73 -55.6453      74 -55.8645      75 -58.0096
      76 -58.2134      77 -56.4289      78 -54.9629      79 -54.6647      80 -55.2634
      81 -55.6955      82 -55.6814      83 -55.6823      84 -55.7370      85 -55.0594
      86 -54.8604      87 -55.0265      88 -56.4226      89 -60.6993      90 -60.5808
      91 -55.6039      92 -55.7503      93 -55.6300      94 -55.3608      95 -55.4290
      96 -55.9513      97 -57.8269      98 -57.9506      99 -56.0364     100 -55.7930
     101 -55.9156     102 -55.5035     103 -55.5295     104 -55.7882     105 -58.0272
     106 -58.1656     107 -56.4315     108 -54.9949     109 -54.8123     110 -55.2595
     111 -55.7407     112 -55.6730     113 -55.5745     114 -55.6782     115 -55.1213
     116 -54.7553     117 -54.9205     118 -56.3415     119 -60.4281     120 -60.5608
     121 -55.8494     122 -55.9301     123 -55.8064     124 -55.7113     125 -55.7042
     126 -56.1176     127 -57.9289     128 -58.1425     129 -56.0424     130 -55.7281
     131 -55.8345     132 -55.5553     133 -55.5130     134 -55.7371     135 -57.8574
     136 -58.0527     137 -56.3446     138 -54.8944     139 -54.5980     140 -55.1691
     141 -55.6595     142 -55.7147     143 -55.6483     144 -55.6215     145 -55.1062
     146 -54.8177     147 -55.0455     148 -56.3401     149 -60.5348     150 -60.5867
     151 -55.5700     152 -55.6665     153 -55.5427     154 -55.3700     155 -55.4126
     156 -55.8667     157 -57.7865     158 -57.8695     159 -55.9629     160 -55.6910
     161 -55.8864     162 -55.5365     163 -55.5571     164 -55.7725     165 -57.9723
     166 -58.1850     167 -56.5384     168 -55.1461     169 -54.8197     170 -55.3417
     171 -55.8457     172 -55.8357     173 -55.7521     174 -55.6652     175 -55.0547
     176 -54.5664     177 -54.8571     178 -56.2332     179 -60.5121     180 -60.6547
     181 -55.7997     182 -55.9898     183 -55.8567     184 -55.5623     185 -55.5641
     186 -56.1728     187 -57.8977     188 -58.2079     189 -56.1511     190 -55.7804
     191 -55.8754     192 -55.6525     193 -55.5890     194 -55.7789     195 -57.9060
     196 -58.1232     197 -56.3138     198 -54.8125     199 -54.6063     200 -55.1310
     201 -55.6735     202 -55.6729     203 -55.6235     204 -55.6144     205 -55.1027
     206 -54.8740     207 -54.9893     208 -56.3598     209 -60.6663     210 -60.5252
     211 -55.9466     212 -56.0972     213 -55.8741     214 -55.7460     215 -55.6851
     216 -56.2223     217 -58.1338     218 -58.2716     219 -56.1455     220 -55.7855
     221 -55.8906     222 -55.5842     223 -55.4892     224 -55.7607     225 -57.8237
     226 -58.0899     227 -56.2976     228 -54.7932     229 -54.7412     230 -55.0041
     231 -55.5465     232 -55.7550     233 -55.7988     234 -55.5261     235 -55.1789
     236 -54.7986     237 -55.0487     238 -56.4331     239 -60.3421     240 -60.4035
     241 -55.8549     242 -55.9221     243 -55.7803     244 -55.6889     245 -55.7051
     246 -56.0990     247 -57.9905     248 -58.0915     249 -56.1802     250 -55.8920
     251 -56.0101     252 -55.7203     253 -55.7334     254 -55.8993     255 -58.0142
     256 -58.1081     257 -56.5163     258 -55.1395     259 -54.9113     260 -55.3233
     261 -55.7940     262 -55.8517     263 -55.8046     264 -55.7844     265 -55.3566
     266 -54.8104     267 -55.1912     268 -56.4050     269 -60.4948     270 -60.4957
     271 -55.7602     272 -55.8442     273 -55.6614     274 -55.6702     275 -55.6412
     276 -55.9714     277 -58.1227     278 -58.1634     279 -55.7682     280 -55.5677
     281 -55.6866     282 -55.4022     283 -55.3322     284 -55.6100     285 -57.8670
     286 -58.1195     287 -56.6179     288 -55.1959     289 -54.8706     290 -55.4828
     291 -55.7961     292 -55.7450     293 -55.6673     294 -55.7939     295 -55.0711
     296 -54.7033     297 -54.8756     298 -56.3403     299 -60.5076     300 -60.7180
     301 -55.7755     302 -55.8993     303 -55.7691     304 -55.5277     305 -55.5475
     306 -56.0361     307 -57.9961     308 -58.1581     309 -56.0800     310 -55.7444
     311 -55.8800     312 -55.6011     313 -55.5984     314 -55.7981     315 -57.9191
     316 -58.0319     317 -56.3254     318 -54.8456     319 -54.6010     320 -55.1077
     321 -55.6273     322 -55.6513     323 -55.7026     324 -55.6967     325 -55.0652
     326 -54.9846     327 -55.1433     328 -56.4525     329 -60.5107     330 -60.3820
     331 -55.6221     332 -55.6874     333 -55.5329     334 -55.4676     335 -55.4227
     336 -55.8578     337 -57.8619     338 -57.8571     339 -55.6927     340 -55.4217
     341 -55.5374     342 -55.2842     343 -55.2981     344 -55.4734     345 -57.7464
     346 -57.8580     347 -56.2964     348 -54.8144     349 -54.6343     350 -55.1863
     351 -55.6121     352 -55.5954     353 -55.5461     354 -55.5175     355 -55.0017
     356 -54.5256     357 -54.7792     358 -56.2244     359 -60.3922     360 -60.5442
     361 -39.0476     362 -38.7371     363 -38.9130     364 -39.0958     365 -38.9224
     366 -38.6299     367 -37.9541     368 -38.0725     369 -38.0300     370 -38.2104
     371 -38.2460     372 -38.1647     373 -38.8463     374 -38.3346     375 -38.6485
     376 -38.8964     377 -38.7815     378 -38.7197     379 -38.2071     380 -38.0842
     381 -38.1947     382 -37.9943     383 -38.1467     384 -37.9269     385 -38.8767
     386 -38.6691     387 -38.9042     388 -38.9532     389 -38.8254     390 -38.5222
     391 -38.1216     392 -38.0413     393 -38.2184     394 -38.0575     395 -38.1670
     396 -38.2247     397 -38.7978     398 -38.3057     399 -38.5821     400 -38.8741
     401 -38.6195     402 -38.7760     403 -38.2035     404 -38.0361     405 -38.1268
     406 -37.9074     407 -38.0016     408 -37.8318     409 -38.8100     410 -38.7432
     411 -38.9630     412 -38.7574     413 -38.8523     414 -38.5214     415 -37.8466
     416 -38.2304     417 -37.9840     418 -38.1807     419 -38.1695     420 -38.2088
     421 -38.6324     422 -38.3239     423 -38.6122     424 -38.6896     425 -38.6172
     426 -38.6787     427 -38.1406     428 -38.0882     429 -38.3161     430 -38.0936
     431 -37.9961     432 -37.8093     433 -38.7214     434 -38.4766     435 -38.8816
     436 -38.7253     437 -38.9077     438 -38.6338     439 -38.3496     440 -38.0229
     441 -38.0226     442 -38.2038     443 -38.0436     444 -37.9741     445 -38.8487
     446 -38.8191     447 -38.8533     448 -38.7711     449 -38.7435     450 -38.4017
     451 -37.9026     452 -37.9352     453 -37.8995     454 -38.2225     455 -37.9447
     456 -38.0586     457 -38.9506     458 -38.6209     459 -38.8810     460 -38.9802
     461 -38.9279     462 -38.6457     463 -38.1520     464 -38.2776     465 -38.1072
     466 -38.2600     467 -37.9269     468 -38.2988     469 -38.9469     470 -38.7233
     471 -38.7176     472 -38.7332     473 -38.5329     474 -38.2985     475 -38.2478
     476 -38.1569     477 -38.4285     478 -38.0295     479 -38.1593     480 -37.9011
     481 -38.7964     482 -38.6293     483 -38.8087     484 -38.7997     485 -38.8294
     486 -38.6470     487 -37.9919     488 -38.0853     489 -37.9392     490 -38.2687
     491 -38.1547     492 -38.2627     493 -38.7984     494 -38.4292     495 -38.6389
     496 -38.4853     497 -38.3884     498 -38.3713     499 -38.0144     500 -37.8349
     501 -38.0685     502 -37.9623     503 -38.0000     504 -37.8285     505 -38.3176
     506 -40.8415     507 -71.4524     508 -71.3673     509 -71.4647     510 -71.6022
     511 -71.4661     512 -71.4965     513 -71.3409     514 -71.5035     515 -71.4498
     516 -71.3522     517 -71.2441     518 -71.6118     519 -71.4864     520 -71.4755
     521 -71.5228     522 -71.3185     523 -71.4725     524 -71.4147     525 -71.5487
     526 -71.5488     527 -71.4522     528 -71.4027     529 -71.0816     530 -71.3151
     531 -76.9182     532 -76.7114     533 -76.8117     534 -76.8803     535 -76.8054
     536 -76.4894     537 -76.7819     538 -76.8596     539 -76.9045     540 -76.4998
     541 -76.9365     542 -76.7991     543 -76.6436     544 -76.6568     545 -76.8218
     546 -76.8392     547 -76.9127     548 -76.6726     549 -76.9084     550 -76.5960
     551 -76.6214     552 -76.5823     553 -76.8252     554 -76.4789     555 -76.9540
     556 -76.6959     557 -76.9132     558 -76.6977     559 -76.9901     560 -76.9466
     561 -76.8142     562 -76.5535     563 -76.6768     564 -76.7753     565 -76.8587
     566 -76.7618     567 -76.9139     568 -77.0132     569 -76.8548     570 -76.4359
     571 -76.9198     572 -76.7785     573 -76.7573     574 -76.6791     575 -76.5411
     576 -76.6279     577 -76.5298     578 -76.4608     579 -82.7307     580 -82.3361
     581 -82.4521     582 -82.7105     583 -82.4537     584 -82.2680     585 -82.5084
     586 -82.6068     587 -82.8623     588 -82.5209     589 -82.3481     590 -82.2410
     591 -82.7436     592 -82.3336     593 -82.6852     594 -82.9369     595 -82.4563
     596 -82.7380     597 -82.4413     598 -82.4283     599 -82.6734     600 -82.2137
     601 -82.1211     602 -82.5375     603 -82.8672     604 -82.3449     605 -82.8431
     606 -83.0151     607 -82.6964     608 -82.0980     609 -82.5921     610 -82.4492
     611 -82.7839     612 -82.4848     613 -82.4358     614 -82.1435     615 -82.4641
     616 -82.7919     617 -82.5615     618 -82.8374     619 -82.6241     620 -82.9664
     621 -82.2511     622 -82.6528     623 -82.4990     624 -82.8600     625 -82.0314
     626 -82.3745     627 -82.3503     628 -82.5588     629 -82.3338     630 -82.6601
     631 -81.9914     632 -82.2919     633 -82.5987     634 -82.5678     635 -82.8728
     636 -82.5324     637 -82.1381     638 -82.2808     639 -82.0670     640 -82.5384
     641 -82.4533     642 -82.7068     643 -82.5174     644 -82.3926     645 -82.3425
     646 -82.6341     647 -82.6831     648 -82.5182     649 -82.2308     650 -82.2084
 
 
 
 E-fermi :  -1.2319     XC(G=0):  -6.3648     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.5396      2.00000
      2     -29.2652      2.00000
      3     -29.2368      2.00000
      4     -29.2058      2.00000
      5     -29.2044      2.00000
      6     -29.1681      2.00000
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      8     -29.1244      2.00000
      9     -29.1104      2.00000
     10     -29.0901      2.00000
     11     -29.0838      2.00000
     12     -29.0770      2.00000
     13     -29.0023      2.00000
     14     -28.9677      2.00000
     15     -28.9440      2.00000
     16     -28.7844      2.00000
     17     -28.7270      2.00000
     18     -28.7171      2.00000
     19     -28.7064      2.00000
     20     -28.7033      2.00000
     21     -28.6875      2.00000
     22     -28.6858      2.00000
     23     -28.6239      2.00000
     24     -28.5085      2.00000
     25     -27.4462      2.00000
     26     -27.2144      2.00000
     27     -27.0511      2.00000
     28     -27.0155      2.00000
     29     -27.0038      2.00000
     30     -26.9564      2.00000
     31     -26.9553      2.00000
     32     -26.9321      2.00000
     33     -26.9181      2.00000
     34     -26.8751      2.00000
     35     -26.8352      2.00000
     36     -26.8259      2.00000
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     39     -26.7559      2.00000
     40     -26.7382      2.00000
     41     -26.7044      2.00000
     42     -26.6465      2.00000
     43     -26.6290      2.00000
     44     -26.6254      2.00000
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     46     -26.6130      2.00000
     47     -26.6097      2.00000
     48     -26.5929      2.00000
     49     -26.5891      2.00000
     50     -26.5810      2.00000
     51     -26.5474      2.00000
     52     -26.5303      2.00000
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     56     -26.4957      2.00000
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     66     -26.2190      2.00000
     67     -26.2005      2.00000
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     72     -25.9538      2.00000
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     92     -23.2027      2.00000
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     95     -23.1586      2.00000
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    110     -22.8466      2.00000
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   1131      -3.1183      2.00000
   1132      -3.1122      2.00000
   1133      -3.1056      2.00000
   1134      -3.0983      2.00000
   1135      -3.0915      2.00000
   1136      -3.0856      2.00000
   1137      -3.0701      2.00000
   1138      -3.0486      2.00000
   1139      -3.0378      2.00000
   1140      -3.0337      2.00000
   1141      -3.0234      2.00000
   1142      -3.0095      2.00000
   1143      -3.0016      2.00000
   1144      -2.9935      2.00000
   1145      -2.9878      2.00000
   1146      -2.9819      2.00000
   1147      -2.9772      2.00000
   1148      -2.9680      2.00000
   1149      -2.9644      2.00000
   1150      -2.9613      2.00000
   1151      -2.9538      2.00000
   1152      -2.9490      2.00000
   1153      -2.9450      2.00000
   1154      -2.9328      2.00000
   1155      -2.9119      2.00000
   1156      -2.9081      2.00000
   1157      -2.8935      2.00000
   1158      -2.8895      2.00000
   1159      -2.8754      2.00000
   1160      -2.8681      2.00000
   1161      -2.8617      2.00000
   1162      -2.8570      2.00000
   1163      -2.8226      2.00000
   1164      -2.8123      2.00000
   1165      -2.7957      2.00000
   1166      -2.7827      2.00000
   1167      -2.7737      2.00000
   1168      -2.7612      2.00000
   1169      -2.7598      2.00000
   1170      -2.7478      2.00000
   1171      -2.7268      2.00000
   1172      -2.6640      2.00000
   1173      -2.6549      2.00000
   1174      -2.6521      2.00000
   1175      -2.6453      2.00000
   1176      -2.6169      2.00000
   1177      -2.6109      2.00000
   1178      -2.6005      2.00000
   1179      -2.5808      2.00000
   1180      -2.5476      2.00000
   1181      -2.5379      2.00000
   1182      -2.5354      2.00000
   1183      -2.5282      2.00000
   1184      -2.5108      2.00000
   1185      -2.5050      2.00000
   1186      -2.5020      2.00000
   1187      -2.4967      2.00000
   1188      -2.4812      2.00000
   1189      -2.4701      2.00000
   1190      -2.4607      2.00000
   1191      -2.4480      2.00000
   1192      -2.4265      2.00000
   1193      -2.4206      2.00000
   1194      -2.4107      2.00000
   1195      -2.3996      2.00000
   1196      -2.3902      2.00000
   1197      -2.3839      2.00000
   1198      -2.3783      2.00000
   1199      -2.3678      2.00000
   1200      -2.3549      2.00000
   1201      -2.3460      2.00000
   1202      -2.3449      2.00000
   1203      -2.3401      2.00000
   1204      -2.3318      2.00000
   1205      -2.3279      2.00000
   1206      -2.3238      2.00000
   1207      -2.3135      2.00000
   1208      -2.3051      2.00000
   1209      -2.2958      2.00000
   1210      -2.2922      2.00000
   1211      -2.2786      2.00000
   1212      -2.2696      2.00000
   1213      -2.2507      2.00000
   1214      -2.2480      2.00000
   1215      -2.2343      2.00000
   1216      -2.2246      2.00000
   1217      -2.2163      2.00000
   1218      -2.2116      2.00000
   1219      -2.2087      2.00000
   1220      -2.1988      2.00000
   1221      -2.1832      2.00000
   1222      -2.1719      2.00000
   1223      -2.1593      2.00000
   1224      -2.1531      2.00000
   1225      -2.1438      2.00000
   1226      -2.1405      2.00000
   1227      -2.1142      2.00000
   1228      -2.0952      2.00000
   1229      -2.0817      2.00000
   1230      -2.0568      2.00000
   1231      -2.0265      2.00000
   1232      -2.0075      2.00000
   1233      -1.9660      2.00000
   1234      -1.9502      2.00000
   1235      -1.8992      2.00003
   1236      -1.8598      2.00008
   1237      -1.7422      2.00184
   1238      -1.6019      2.02519
   1239      -1.5541      2.04512
   1240      -1.5240      2.05877
   1241      -1.4853      2.07040
   1242      -1.4544      2.06639
   1243      -1.4390      2.05681
   1244      -1.4310      2.04928
   1245      -1.4154      2.02851
   1246      -1.3884      1.97078
   1247      -1.3805      1.94774
   1248      -1.3678      1.90506
   1249      -1.3383      1.77401
   1250       0.1410     -0.00000
   1251       0.1685     -0.00000
   1252       0.1995     -0.00000
   1253       0.2487     -0.00000
   1254       0.2963     -0.00000
   1255       0.3514     -0.00000
   1256       0.3721     -0.00000
   1257       0.4008     -0.00000
   1258       0.4354     -0.00000
   1259       0.4688     -0.00000
   1260       0.4851     -0.00000
   1261       0.5002     -0.00000
   1262       0.6678     -0.00000
   1263       0.6850     -0.00000
   1264       0.7615     -0.00000
   1265       0.7749     -0.00000
   1266       0.7952     -0.00000
   1267       0.8171     -0.00000
   1268       0.8253     -0.00000
   1269       0.8917     -0.00000
   1270       0.8936     -0.00000
   1271       0.9386     -0.00000
   1272       0.9421     -0.00000
   1273       0.9638     -0.00000
   1274       0.9736     -0.00000
   1275       0.9826     -0.00000
   1276       0.9930     -0.00000
   1277       1.0131     -0.00000
   1278       1.0487     -0.00000
   1279       1.0645     -0.00000
   1280       1.1300     -0.00000
   1281       1.1368     -0.00000
   1282       1.1540     -0.00000
   1283       1.1786     -0.00000
   1284       1.2289     -0.00000
   1285       1.2655     -0.00000
   1286       1.2969     -0.00000
   1287       1.3064     -0.00000
   1288       1.3981     -0.00000
   1289       1.4070     -0.00000
   1290       1.4166     -0.00000
   1291       1.5198     -0.00000
   1292       1.5753     -0.00000
   1293       1.5849     -0.00000
   1294       1.6062     -0.00000
   1295       1.6847     -0.00000
   1296       1.7160     -0.00000
   1297       1.7444     -0.00000
   1298       1.7940     -0.00000
   1299       1.8576     -0.00000
   1300       1.9320     -0.00000
   1301       1.9538     -0.00000
   1302       1.9787     -0.00000
   1303       1.9977     -0.00000
   1304       2.0173     -0.00000
   1305       2.0642     -0.00000
   1306       2.0780     -0.00000
   1307       2.1015     -0.00000
   1308       2.1218     -0.00000
   1309       2.1654     -0.00000
   1310       2.1760     -0.00000
   1311       2.1969     -0.00000
   1312       2.2140     -0.00000
   1313       2.2495     -0.00000
   1314       2.2635     -0.00000
   1315       2.2807     -0.00000
   1316       2.3093     -0.00000
   1317       2.3175     -0.00000
   1318       2.3269     -0.00000
   1319       2.3987     -0.00000
   1320       2.4173     -0.00000
   1321       2.4739     -0.00000
   1322       2.4777     -0.00000
   1323       2.5023     -0.00000
   1324       2.5321     -0.00000
   1325       2.5552     -0.00000
   1326       2.5902     -0.00000
   1327       2.6378     -0.00000
   1328       2.6465     -0.00000
   1329       2.6626     -0.00000
   1330       2.6739     -0.00000
   1331       2.6818     -0.00000
   1332       2.6936     -0.00000
   1333       2.7065     -0.00000
   1334       2.7386     -0.00000
   1335       2.7417     -0.00000
   1336       2.7444     -0.00000
   1337       2.7528     -0.00000
   1338       2.7819     -0.00000
   1339       2.8098     -0.00000
   1340       2.8373     -0.00000
   1341       2.8456     -0.00000
   1342       2.8553     -0.00000
   1343       2.8782     -0.00000
   1344       2.8835     -0.00000
   1345       2.9728     -0.00000
   1346       3.0113     -0.00000
   1347       3.0543     -0.00000
   1348       3.0740     -0.00000
   1349       3.0857     -0.00000
   1350       3.1223     -0.00000
   1351       3.1266     -0.00000
   1352       3.1941     -0.00000
   1353       3.2128     -0.00000
   1354       3.2203     -0.00000
   1355       3.2395     -0.00000
   1356       3.2472     -0.00000
   1357       3.2623     -0.00000
   1358       3.2758     -0.00000
   1359       3.3015     -0.00000
   1360       3.3438     -0.00000
   1361       3.3771     -0.00000
   1362       3.4141     -0.00000
   1363       3.4719     -0.00000
   1364       3.5575     -0.00000
   1365       3.6171     -0.00000
   1366       3.6788     -0.00000
   1367       3.7475     -0.00000
   1368       3.7707     -0.00000
   1369       3.7721     -0.00000
   1370       3.8065     -0.00000
   1371       3.8406     -0.00000
   1372       3.8431     -0.00000
   1373       3.8739     -0.00000
   1374       3.9023     -0.00000
   1375       3.9200     -0.00000
   1376       3.9256     -0.00000
   1377       3.9492     -0.00000
   1378       3.9637     -0.00000
   1379       3.9710     -0.00000
   1380       3.9813     -0.00000
   1381       4.0519     -0.00000
   1382       4.0583     -0.00000
   1383       4.0730     -0.00000
   1384       4.1107      0.00000
   1385       4.1162      0.00000
   1386       4.1201      0.00000
   1387       4.1398      0.00000
   1388       4.1598      0.00000
   1389       4.1655      0.00000
   1390       4.1781      0.00000
   1391       4.1902      0.00000
   1392       4.1962      0.00000
   1393       4.2171      0.00000
   1394       4.2224      0.00000
   1395       4.2351      0.00000
   1396       4.2420      0.00000
   1397       4.2495      0.00000
   1398       4.2669      0.00000
   1399       4.2870      0.00000
   1400       4.2897      0.00000
   1401       4.3127      0.00000
   1402       4.3164      0.00000
   1403       4.3277      0.00000
   1404       4.3485      0.00000
   1405       4.3639      0.00000
   1406       4.3761      0.00000
   1407       4.3900      0.00000
   1408       4.3972      0.00000
   1409       4.4213      0.00000
   1410       4.4316      0.00000
   1411       4.4432      0.00000
   1412       4.4481      0.00000
   1413       4.4584      0.00000
   1414       4.4761      0.00000
   1415       4.4823      0.00000
   1416       4.5129      0.00000
   1417       4.5172      0.00000
   1418       4.5499      0.00000
   1419       4.5588      0.00000
   1420       4.5676      0.00000
   1421       4.5733      0.00000
   1422       4.5947      0.00000
   1423       4.6077      0.00000
   1424       4.6188      0.00000
   1425       4.6357      0.00000
   1426       4.6575      0.00000
   1427       4.6613      0.00000
   1428       4.6810      0.00000
   1429       4.6895      0.00000
   1430       4.7019      0.00000
   1431       4.7182      0.00000
   1432       4.7389      0.00000
   1433       4.7450      0.00000
   1434       4.7510      0.00000
   1435       4.7954      0.00000
   1436       4.7973      0.00000
   1437       4.8269      0.00000
   1438       4.8437      0.00000
   1439       4.8510      0.00000
   1440       4.8717      0.00000
   1441       4.8883      0.00000
   1442       4.9117      0.00000
   1443       4.9224      0.00000
   1444       4.9490      0.00000
   1445       4.9663      0.00000
   1446       4.9738      0.00000
   1447       4.9985      0.00000
   1448       5.0012      0.00000
   1449       5.0222      0.00000
   1450       5.0312      0.00000
   1451       5.0448      0.00000
   1452       5.0764      0.00000
   1453       5.0852      0.00000
   1454       5.1031      0.00000
   1455       5.1114      0.00000
   1456       5.1317      0.00000
   1457       5.1434      0.00000
   1458       5.1575      0.00000
   1459       5.1700      0.00000
   1460       5.1818      0.00000
   1461       5.1993      0.00000
   1462       5.2166      0.00000
   1463       5.2257      0.00000
   1464       5.2433      0.00000
   1465       5.2571      0.00000
   1466       5.2641      0.00000
   1467       5.2717      0.00000
   1468       5.2824      0.00000
   1469       5.3057      0.00000
   1470       5.3150      0.00000
   1471       5.3298      0.00000
   1472       5.3387      0.00000
   1473       5.3609      0.00000
   1474       5.3714      0.00000
   1475       5.3783      0.00000
   1476       5.3950      0.00000
   1477       5.4084      0.00000
   1478       5.4172      0.00000
   1479       5.4256      0.00000
   1480       5.4337      0.00000
   1481       5.4428      0.00000
   1482       5.4474      0.00000
   1483       5.4743      0.00000
   1484       5.4775      0.00000
   1485       5.4891      0.00000
   1486       5.5009      0.00000
   1487       5.5100      0.00000
   1488       5.5157      0.00000
   1489       5.5188      0.00000
   1490       5.5364      0.00000
   1491       5.5435      0.00000
   1492       5.5546      0.00000
   1493       5.5700      0.00000
   1494       5.5791      0.00000
   1495       5.5951      0.00000
   1496       5.6099      0.00000
   1497       5.6164      0.00000
   1498       5.6308      0.00000
   1499       5.6360      0.00000
   1500       5.6464      0.00000
   1501       5.6570      0.00000
   1502       5.6642      0.00000
   1503       5.6766      0.00000
   1504       5.6838      0.00000
   1505       5.6867      0.00000
   1506       5.7022      0.00000
   1507       5.7173      0.00000
   1508       5.7283      0.00000
   1509       5.7398      0.00000
   1510       5.7465      0.00000
   1511       5.7535      0.00000
   1512       5.7602      0.00000
   1513       5.7647      0.00000
   1514       5.7827      0.00000
   1515       5.7950      0.00000
   1516       5.8036      0.00000
   1517       5.8194      0.00000
   1518       5.8250      0.00000
   1519       5.8383      0.00000
   1520       5.8467      0.00000
   1521       5.8542      0.00000
   1522       5.8551      0.00000
   1523       5.8741      0.00000
   1524       5.8795      0.00000
   1525       5.8916      0.00000
   1526       5.9025      0.00000
   1527       5.9124      0.00000
   1528       5.9248      0.00000
   1529       5.9261      0.00000
   1530       5.9336      0.00000
   1531       5.9399      0.00000
   1532       5.9476      0.00000
   1533       5.9553      0.00000
   1534       5.9733      0.00000
   1535       5.9787      0.00000
   1536       5.9956      0.00000
   1537       6.0064      0.00000
   1538       6.0173      0.00000
   1539       6.0300      0.00000
   1540       6.0356      0.00000
   1541       6.0398      0.00000
   1542       6.0612      0.00000
   1543       6.0666      0.00000
   1544       6.0691      0.00000
   1545       6.0850      0.00000
   1546       6.0945      0.00000
   1547       6.1000      0.00000
   1548       6.1110      0.00000
   1549       6.1145      0.00000
   1550       6.1268      0.00000
   1551       6.1324      0.00000
   1552       6.1424      0.00000
   1553       6.1520      0.00000
   1554       6.1560      0.00000
   1555       6.1669      0.00000
   1556       6.1759      0.00000
   1557       6.1923      0.00000
   1558       6.2018      0.00000
   1559       6.2046      0.00000
   1560       6.2113      0.00000
   1561       6.2261      0.00000
   1562       6.2299      0.00000
   1563       6.2344      0.00000
   1564       6.2401      0.00000
   1565       6.2484      0.00000
   1566       6.2577      0.00000
   1567       6.2655      0.00000
   1568       6.2689      0.00000
   1569       6.2840      0.00000
   1570       6.2965      0.00000
   1571       6.3033      0.00000
   1572       6.3080      0.00000
   1573       6.3200      0.00000
   1574       6.3316      0.00000
   1575       6.3466      0.00000
   1576       6.3609      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.080  13.402  -0.001   0.001  -0.000   0.001  -0.005   0.000
 13.402  17.817  -0.001   0.002  -0.000   0.001  -0.006   0.001
 -0.001  -0.001  -4.224   0.002   0.000   8.261  -0.004  -0.000
  0.001   0.002   0.002  -4.225   0.001  -0.004   8.262  -0.001
 -0.000  -0.000   0.000   0.001  -4.217  -0.000  -0.001   8.252
  0.001   0.001   8.261  -0.004  -0.000 -18.285   0.006  -0.000
 -0.005  -0.006  -0.004   8.262  -0.001   0.006 -18.283   0.001
  0.000   0.001  -0.000  -0.001   8.252  -0.000   0.001 -18.275
 total augmentation occupancy for first ion, spin component:           1
  8.631  -3.910   0.180   0.151  -0.023   0.023   0.028  -0.004
 -3.910   1.846  -0.094  -0.100   0.010  -0.010  -0.016   0.002
  0.180  -0.094   1.799  -0.049  -0.008   0.170  -0.010  -0.002
  0.151  -0.100  -0.049   1.931  -0.077  -0.010   0.182  -0.011
 -0.023   0.010  -0.008  -0.077   1.226  -0.002  -0.011   0.081
  0.023  -0.010   0.170  -0.010  -0.002   0.018  -0.001  -0.000
  0.028  -0.016  -0.010   0.182  -0.011  -0.001   0.019  -0.001
 -0.004   0.002  -0.002  -0.011   0.081  -0.000  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -57141.48494116848.29487 39600.06237-12726.66359  6526.42146 28578.28060
  Hartree -1802.94689143828.99742 77719.99301-13125.27080  4492.16510 22960.71223
  E(xc)  -10758.97764-10620.70009-10661.27826     2.72765     8.19262    29.59261
  Local   25558.86516************************ 25846.27879-11063.45364-50970.74496
  n-local -5885.68266 -5995.78085 -6069.78679     7.29058    19.94529   -55.38435
  augment  1489.54885  1537.80129  1484.68332     3.54911    13.11676    -3.21603
  Kinetic 45727.33193 43313.42281 43959.42732   -49.77290  -112.76916  -538.99327
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       94.5125332   -362.1003795     96.9167660    -41.8611724   -116.3815795      0.2468287
  in kB       15.7607214    -60.3831367     16.1616465     -6.9806856    -19.4075599      0.0411607
  external PRESSURE =      -9.4869229 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.306E+03 -.124E+03 0.255E+03   0.306E+03 0.124E+03 -.257E+03   0.216E+00 -.485E+00 0.134E+01   -.109E-03 -.744E-04 0.962E-04
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 -----------------------------------------------------------------------------------------------
   -.100E+02 -.187E+02 -.416E+01   0.181E-10 0.233E-11 0.148E-11   0.100E+02 0.187E+02 0.415E+01   0.763E-03 0.276E-03 0.480E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.76874      3.16499      1.41840         0.433297     -0.157248     -0.340422
     12.61217      3.60142      2.71798         0.147735      0.003158      0.295543
     12.59127      4.97673      3.02073         0.101787      0.087696      0.152413
     12.85792      4.07283      0.37471         0.212088     -0.113394     -0.102096
     12.87281      5.42826      0.68741         0.149958      0.216033     -0.291150
     12.76167      5.95024      1.99483         0.052458     -0.207307      0.117032
     12.81936      1.68292      1.38134        -0.189369      0.949895      1.786663
     12.40192      2.36827      3.56749         0.341042     -0.384618     -1.074865
     12.85602      7.44579      2.22265         0.209496      0.193032      0.159621
     12.78044      8.06999      3.49733         0.142489     -0.335895      0.042412
     13.06399      9.43334      3.65528         0.126237     -0.122719      0.141130
     13.13896      8.32818      1.14977         0.024941     -0.039095     -0.211564
     13.32642      9.70580      1.29213         0.127343      0.131321     -0.195344
     13.29571     10.25093      2.57092         0.559702      0.079229     -0.426729
     13.55896     11.65414      3.02820        -0.696190     -3.046434      2.019152
     13.19053     10.27889      4.88489         0.366210      0.874222     -1.236831
     13.59612     12.78527      5.30610         0.177913      0.230532      0.109547
     13.25298     12.71830      6.65250        -0.002913     -0.372205      0.113518
     13.29659     13.83658      7.45237         0.269566      0.181842      1.018922
     13.89752     14.09887      4.86860         0.193703     -0.072098     -0.709857
     13.92854     15.24243      5.68925        -0.077956     -0.588265      0.629973
     13.65548     15.14721      7.08901         0.116492     -0.102312      0.142964
     13.69981     16.26609      8.11595         0.118894     -0.133720      0.221798
     13.19398     16.19406      9.46121         0.156335      0.143723      0.068757
     13.35617     17.27349     10.33931        -0.045121      0.031211      0.285961
     14.25190     17.53426      7.82451         0.155751     -0.288912     -0.174114
     14.33814     18.61857      8.67127         0.199695      0.186875     -0.066018
     13.92258     18.49609      9.97469        -0.102129     -0.204162      0.398506
     12.48801     14.99833     10.06389         0.684291      0.113963     -0.450467
     14.37509     16.52724      5.06773         0.598164     -0.907499     -0.091801
      9.68770      3.84349      4.80755        -0.081552     -0.121810      0.418417
      9.87207      4.78020      3.82361        -0.171104      0.368200     -0.556006
     10.00960      6.13247      4.14120        -0.072655      0.299208      0.045782
      9.60176      4.21601      6.13167         0.102320     -0.038383      0.103047
      9.69884      5.56300      6.45572         0.018516     -0.150657      0.288669
      9.93491      6.56654      5.49478        -0.072452     -0.294973     -0.462513
      9.58248      2.50030      4.23412        -0.106273      0.113418     -0.322460
      9.91172      4.05074      2.51147        -0.297482     -0.673309      1.312584
     10.06037      7.99549      5.88333         0.031730      0.350776     -0.124512
     10.31770      8.99454      4.91581        -0.063104     -0.431493     -0.319485
     10.37633     10.32352      5.27622        -0.195282      0.510989     -0.443407
      9.91145      8.44226      7.21309        -0.120037     -0.035330      0.307067
     10.02928      9.78914      7.58324        -0.134366     -0.044016      0.194481
     10.25838     10.72467      6.58621        -0.225736      0.192113      0.515813
     10.40743     12.20151      6.66455         0.056524     -1.373628     -1.602763
     10.63098     11.54638      4.45568         0.515851      0.320623     -0.531770
     10.95548     14.04187      4.98286        -0.150357      0.107394      0.001053
     11.42514     14.39235      3.71166        -0.232210     -0.193090     -0.011436
     11.73292     15.71103      3.43133         0.447046      0.324616     -0.152761
     10.90825     15.11748      5.90162        -0.194048     -0.107768      0.320575
     11.16547     16.47085      5.58504        -0.127670      0.056151     -0.141715
     11.59666     16.84154      4.25893        -0.190132      0.174191      0.260500
     12.01894     18.24075      3.78474         0.032657     -0.219013     -0.581095
     12.49330     18.58590      2.46701         0.229865      0.039024      0.278088
     12.64015     19.96059      2.15886        -0.065385      0.339837     -0.426357
     11.89306     19.36398      4.62127        -0.018090     -0.664972      0.637257
     12.05588     20.69969      4.34609         0.268035      0.363164     -0.046132
     12.43923     21.05913      3.05548         0.086505      0.010337      0.033280
     12.78001     17.56812      1.27306        -0.390098      0.501125      0.680250
     10.89793     17.47007      6.73874         0.342490     -0.206568     -0.936559
     10.09426      7.17645     14.59348         0.234103     -0.933009     -0.134165
      9.99030      7.60314     15.89677        -0.030405      0.449391      0.618253
      9.97392      8.97959     16.19826         0.331668     -0.060684      0.218926
     10.15890      8.08397     13.55264         0.102634      0.331757     -0.264782
     10.18597      9.45111     13.86705         0.249233     -0.086270     -0.015704
     10.12583      9.96795     15.18225         0.178298     -0.281217      0.329534
      9.99300      5.68608     14.58368         0.439679     -0.915186     -0.625460
      9.70552      6.38918     16.76345         0.614281     -0.042946     -1.512414
     10.21903     11.46204     15.47887         0.196903      0.185835      0.237496
     10.15037     12.03388     16.78757         0.139300     -0.241156     -0.030057
     10.33536     13.41574     16.99990         0.163447     -0.296172      0.098547
     10.45006     12.39680     14.43730         0.118978     -0.007845     -0.170890
     10.59908     13.77297     14.63980         0.147865      0.039469     -0.263884
     10.53307     14.27080     15.93592         0.455848      0.024426     -0.304983
     10.66762     15.67057     16.41927        -0.297058     -1.673809      1.170263
     10.30896     14.26216     18.24874         0.449563      0.800333     -1.214032
     10.49006     16.83084     18.67068         0.234187      0.619200      0.082946
     10.14461     16.78397     20.01696         0.086621     -0.390301     -0.059101
      9.99961     17.94797     20.74720        -0.046139      0.262366      0.764300
     10.69628     18.17657     18.22169         0.460957     -0.019152     -0.458743
     10.66617     19.35100     19.01278         0.290452     -0.383776      0.374863
     10.29189     19.28566     20.40394         0.083832     -0.018553     -0.067880
     10.18509     20.43973      0.16518         0.060451     -0.225387     -0.378728
      9.74098     20.34342      1.52600        -0.002464      0.509498     -0.114619
      9.67559      0.21191      2.35640        -0.160182     -0.048909      0.118811
     10.52464      0.51813     21.11583         0.163048     -0.123649     -0.297582
     10.28331      1.66211      0.61027         0.053007      0.105368     -0.565694
      9.86403      1.54904      1.92095        -0.330216     -0.426691      0.472208
      9.36629     19.06966      2.21861        -0.310852     -0.193830     -0.668048
     11.01979     20.68298     18.35925         0.449732     -1.116832      0.550322
      7.06214      7.61671     17.53634         0.008711      0.177837      0.240812
      7.23288      8.56798     16.55174        -0.417478      0.009960     -0.245310
      7.41627      9.91833     16.86928        -0.199553      0.363337      0.015896
      7.06748      7.99418     18.87413         0.100457     -0.270032     -0.058463
      7.12269      9.34735     19.17917        -0.028179      0.293736      0.324401
      7.30223     10.37108     18.21035        -0.051652     -0.266531     -0.368469
      6.90719      6.27670     16.92698         0.194379      1.598830     -1.086550
      7.21420      7.84694     15.23023         0.234538     -0.608312      0.575399
      7.33439     11.82641     18.59648        -0.028436      0.316218     -0.214886
      7.56704     12.90339     17.69160        -0.151090     -0.307127     -0.278450
      7.51858     14.23087     18.12143        -0.216559      0.247675     -0.573140
      7.08406     12.21798     19.92018        -0.064471     -0.044096      0.256203
      7.06267     13.54657     20.34906         0.076527      0.003075      0.056895
      7.27383     14.55904     19.43532        -0.240997      0.136267      0.507675
      7.31388     16.03836     19.62669         0.234974     -0.980552     -1.996805
      7.76082     15.51986     17.39711        -0.061546      0.383248      0.175705
      7.78682     18.01233     18.06785        -0.247075      0.095414      0.095515
      8.40297     18.43355     16.88974        -0.202600     -0.255556     -0.135142
      8.67876     19.76909     16.67549         0.223899      0.541416      0.260425
      7.50603     19.06837     18.98082        -0.426749     -0.226949      0.369782
      7.64292     20.44166     18.67427        -0.143499      0.207270     -0.338881
      8.23964     20.87911     17.43205        -0.431412      0.018774      0.284391
      8.58464      1.06597     17.00758         0.205550     -0.349792     -0.347196
      9.00572      1.37970     15.68616         0.325696      0.065615      0.181849
      9.34068      2.74877     15.36420         0.223942     -0.147992     -0.147114
      8.62020      2.19173     17.88128         0.000874     -0.834098      0.432548
      8.95001      3.49314     17.58367         0.186605      0.779474      0.126304
      9.34664      3.84777     16.28906         0.313645     -0.575961     -0.770139
      9.21617      0.27618     14.54565         1.122646      2.274412      0.464578
      7.17525      0.18399     19.75028         0.243674     -0.378901     -0.891585
      7.02128     10.85450      6.12248        -0.083479     -0.221101     -0.257250
      6.83831     11.33555      7.40381        -0.170171     -0.187925      0.437302
      6.96131     12.69130      7.71116        -0.067393      0.224541      0.125885
      7.36677     11.71648      5.09612        -0.096617     -0.087095     -0.134186
      7.49580     13.07115      5.40237        -0.059755      0.160149     -0.177867
      7.28550     13.62592      6.68753        -0.164742     -0.244840      0.208932
      6.87596      9.37576      6.11707        -0.131576      0.415349      0.936313
      6.56532     10.14338      8.28789         0.298196     -0.223397     -1.504372
      7.39235     15.10859      6.92106        -0.138733      0.313583      0.220803
      7.12408     15.75045      8.16335        -0.072801     -0.294775      0.047305
      7.25059     17.14175      8.28320        -0.195571      0.062644      0.357943
      7.76020     15.97830      5.86830        -0.165973     -0.098949     -0.201117
      7.81894     17.36124      5.97710        -0.170602      0.249174     -0.256831
      7.57614     17.94804      7.20993        -0.162950      0.149453     -0.153773
      7.72477     19.36884      7.65573        -0.450992     -0.889624      1.085676
      7.13245     18.03552      9.48661         0.775203      0.784510     -2.086357
      7.46982     20.57075      9.88822         0.233786      0.517167      0.183428
      7.02664     20.55042     11.21287         0.171726     -0.474684     -0.108017
      6.88682      0.43444     11.96073        -0.431643      0.704424      0.646313
      7.83255      0.63028      9.48702         0.441843     -0.154541     -0.258704
      7.86345      1.76389     10.35500         0.033414     -0.307858      0.541622
      7.36193      1.74148     11.70238         0.399782     -0.059646     -0.114178
      7.33927      2.90588     12.76493         0.169005     -0.247892     -0.480558
      6.86262      2.90086     14.10498         0.041749      0.134632      0.441853
      6.79185      4.00943     14.95155        -0.041115     -0.022952      0.640018
      7.78978      4.20555     12.51827         0.135089      0.496335     -0.572507
      7.60994      5.37108     13.28956         0.578068     -0.117241     -0.142172
      7.12132      5.32651     14.58697        -0.034510      0.186402     -0.129886
      6.23487      1.73246     14.72558         1.195787     -1.821991     -1.175530
      8.43720      3.02602      9.79372         0.514774     -0.795131      0.426549
      4.02444     11.50941     10.77233         0.108187     -0.180874      0.132893
      3.75308     12.39513      9.74422        -0.054994     -0.107567     -0.363975
      3.82268     13.77080      9.93397         0.009652      0.226496     -0.110118
      4.36688     11.98210     12.02871         0.053849     -0.246490      0.151200
      4.42022     13.36021     12.22708         0.089995      0.008262      0.117322
      4.16660     14.30037     11.20575        -0.046224     -0.181841     -0.295953
      3.86901     10.11386     10.29017        -0.316130      1.357850     -1.104648
      3.38781     11.58441      8.53120         0.375972     -0.744060      1.236460
      4.26884     15.76882     11.44586         0.030463      0.594576     -0.295394
      4.10623     16.72008     10.39100        -0.022708     -0.184516     -0.351264
      4.19254     18.09142     10.64173        -0.117231     -0.082490     -0.511607
      4.58039     16.30072     12.72221         0.089292     -0.068296     -0.070510
      4.74220     17.66891     12.93962         0.183023     -0.395420      0.609496
      4.49267     18.54266     11.90996        -0.314601      0.243644     -0.179173
      4.48528     19.98836     11.91267         0.064565      2.920348      2.742932
      4.22821     19.29260      9.72958         0.065944      0.342229     -0.685192
      4.58942      0.61028     10.13157        -0.318756      0.388652      0.436939
      4.89200      0.94280      8.80859        -0.191564     -0.437176      0.060072
      5.21770      2.25013      8.47301         0.180786      0.431931     -0.346854
      4.56931      1.75523     10.99008        -0.239344     -0.261354      0.205181
      4.83833      3.10777     10.62801        -0.190634      0.020669     -0.341735
      5.31067      3.40266      9.29374        -0.246435      0.219306      0.066899
      5.83774      4.79794      8.73084         0.439053      0.154570     -0.580805
      6.26897      5.10160      7.37491         0.266234     -0.340594      0.746054
      6.53674      6.44217      7.02625         0.241752      0.645754     -0.003369
      5.84628      5.97833      9.50702        -0.628908     -1.481346      1.108872
      6.10094      7.27665      9.18325         0.046400      1.182225      0.227947
      6.43008      7.59220      7.87876         0.241946     -0.495868     -0.804573
      6.37516      4.00443      6.26854        -0.326108      0.372073      0.563131
      4.66569      4.14067     11.78430         0.214062     -0.429887     -0.915515
      1.29058     14.35977      0.69436        -0.309984     -0.386114      0.454477
      1.81550     14.76161      1.90769        -0.095594      0.440455      0.485808
      1.72783     16.14102      2.25459         0.010926     -0.063508      0.195588
      0.79050     15.25788     21.03118        -0.546800     -0.470837     -0.665561
      0.79736     16.59195      0.07581        -0.005003      0.704441      0.042043
      1.20286     17.11314      1.32548        -0.053327     -0.422620      0.375828
      1.33854     12.90331      0.60308         0.055835     -0.435974      0.073440
      2.43543     13.48629      2.56382        -1.757014      0.718874     -2.704723
      1.06220     18.61032      1.53236        -0.014758      0.091439      0.676648
      1.41108     19.29365      2.73733        -0.157068     -0.294682     -0.111407
      1.24597     20.68182      2.81807         0.123040     -0.377152      0.532626
      0.55616     19.43963      0.49687        -0.220410     -0.180069     -0.337132
      0.38589     20.81629      0.58510         0.005266     -0.030405      0.193060
      0.73431      0.16387      1.77597        -0.396741      0.112968     -0.579097
      0.75816      1.60393      2.09166         0.357901     -0.916003      1.087506
      1.63683      0.38486      3.90089        -0.850173      0.343267     -1.724740
      1.50878      2.93469      4.07884        -0.228461      0.139295     -0.156046
      2.05666      2.92023      5.34144        -0.132339      0.069755     -0.120292
      2.21159      4.10805      6.00903         0.011017     -0.099360      0.767993
      1.14008      4.22817      3.62333        -0.396626      0.160934     -0.459873
      1.33017      5.43549      4.33528         0.225928     -0.773262      0.613916
      1.95020      5.43646      5.62687        -0.189831      0.348359      0.087485
      2.29331      6.66766      6.50800        -0.457199      0.141679     -0.512944
      2.86188      6.60074      7.78756        -0.528552      0.267928     -0.340502
      3.29973      7.71573      8.51853        -0.323175      0.780772      0.215230
      2.17135      8.03249      6.12992        -0.403467     -0.252718     -1.164144
      2.59698      9.15793      6.81311         0.018912      0.564053     -0.307089
      3.16601      9.06459      8.08639        -0.097546     -0.701764      0.307491
      3.06785      5.28434      8.40971        -0.713791      0.609191      0.552238
      0.79195      6.69232      3.72927        -0.459852     -0.841548      0.384220
      4.63678     14.06133      0.73603         0.221903      0.031903     -0.126842
      3.95177     14.97516     -0.05008         0.152818      0.447984     -0.249464
      3.95602     16.35711      0.31997         0.053597      0.014077     -0.220694
      5.39056     14.50881      1.82165         0.092175     -0.215198     -0.055876
      5.41577     15.86411      2.14284         0.108283      0.234998      0.114283
      4.69180     16.86596      1.44441        -0.111445     -0.010806     -0.315455
      4.50135     12.68700      0.17431        -0.893565      1.198442     -0.861834
      3.32587     14.15749     20.04906         1.252102     -0.833474      1.992905
      4.76073     18.36037      1.89678        -0.080400      0.015624     -0.254976
      4.07779     19.45543      1.27314         0.014168     -0.134823     -0.187073
      4.21679     20.78383      1.73929        -0.064164     -0.141594     -0.219618
      5.57835     18.74686      2.99447        -0.027270     -0.309574     -0.061544
      5.72522     20.05590      3.45678         0.147447     -0.084601      0.210805
      5.02151     21.06738      2.82914         0.128920      0.112945     -0.007456
      5.02570      1.26804      3.10394        -0.662894      0.075166     -0.951539
      3.64327      0.85349      1.27246         1.151412      0.044685      1.210852
      3.84009      3.32887      2.13616         0.129911      0.035657     -0.124728
      2.96805      3.91375      1.20931         0.739434      0.065092      0.107936
      2.72669      5.28187      1.19373        -0.288294      0.056878      0.018374
      4.29583      4.28360      3.07125         0.521883      0.160433      0.391572
      4.08953      5.70152      2.98279        -0.314422     -0.600786     -0.694460
      3.36379      6.33180      1.95523        -0.171552      0.208763     -0.208618
      3.20829      7.98320      1.81415        -0.724951     -0.019501     -0.264988
      2.25589      8.62366      0.94453         0.254733     -0.738198      0.521591
      2.04000      9.98521      0.79489        -0.271377      0.602496      0.415508
      3.69742      9.00553      2.65087         0.615314     -0.725813      1.240858
      3.34236     10.35495      2.67368         0.264616      0.655412      0.681068
      2.53641     10.95992      1.72338        -0.821930     -0.185708     -0.845325
      1.63207      7.67106      0.00412         0.948379     -0.695559      0.205100
      4.71061      6.53459      4.03171         0.625516     -0.782395     -0.110300
     18.31490     17.31760     13.34302        -0.662917      0.028930      0.056047
     19.34482     17.82042     14.11464        -0.109083     -0.236657      0.378297
     19.54152     19.18966     14.26717         0.125894      0.304702      0.141331
     17.43905     18.19362     12.69945        -0.102119     -0.285471      0.121116
     17.62797     19.56552     12.88209        -0.272344      0.037017     -0.134940
     18.66567     20.12038     13.66218         0.131757     -0.308041      0.099481
     18.32674     15.82095     13.40882         1.569378      2.115944      1.405238
     20.10323     16.65765     14.65249         0.581475     -0.539727      0.595411
     18.80447      0.33741     13.86835         0.050561      0.441438      0.250968
     19.85159      0.93001     14.62879         0.009293     -0.327951      0.195880
     19.81554      2.29187     14.93294         0.341495      0.260604      0.517310
     17.81216      1.23438     13.41256        -0.152916      0.156855     -0.112411
     17.80589      2.60835     13.68220        -0.322025      0.164659     -0.120743
     18.82813      3.13340     14.45666        -0.352051      0.243139      0.183890
     19.01565      4.51777     15.00074         0.921192     -0.873850      0.432136
     20.65811      3.11279     15.87756        -0.926569      0.669768     -0.080277
     20.74463      5.61312     16.57673        -0.438905     -0.050166     -0.090723
      0.77314      5.57090     17.10214         1.046452      0.596403      0.384725
      1.45199      6.76245     17.44686        -0.909863      0.091771     -0.626086
     20.21091      6.92562     16.55240        -0.620685      0.150745      0.037322
     20.80762      8.06985     17.18071        -0.388277     -0.279526      0.133101
      0.87142      8.05132     17.68180         0.672429     -0.350398      0.356261
      1.70461      9.21127     18.36254         0.510564     -0.974439     -0.422433
      3.02447      9.11589     18.97326        -0.175197      0.772803     -0.054969
      3.62263     10.25853     19.59424         0.318636     -0.779638      0.493446
      1.18262     10.45705     18.59469        -1.939849      0.976436     -0.509722
      1.80871     11.62477     19.04690         0.936178     -0.375041      0.294179
      3.08654     11.58126     19.61370        -0.514324     -0.092906     -0.396506
      3.86436      7.85590     18.94741        -0.506613     -0.434174     -0.618952
     19.92148      9.28714     17.31041        -0.637493     -0.396511     -0.000395
      2.02028     18.13610     14.14077         0.553144     -0.092141     -0.228980
      1.27869     19.09468     13.48525        -0.236156      0.154052     -0.086408
      1.42502     20.43886     13.78966        -0.082558      0.593604      0.134992
      3.04651     18.53305     14.99832        -0.034333     -0.200637      0.148366
      3.29089     19.89878     15.18515        -0.142184     -0.246530      0.307641
      2.43372     20.90172     14.66770        -0.338845     -0.223230      0.040093
      1.67600     16.79166     13.59369        -1.073829      3.374880     -0.112470
      0.36472     18.42420     12.51822         1.059363     -0.950003      0.516787
      2.59881      1.09226     14.98111        -0.254988      0.591178     -0.032091
      1.83308      2.10055     14.33343        -0.465921     -0.739874     -0.096490
      2.08961      3.44117     14.55728        -0.514222      0.227304     -0.382396
      3.58106      1.56124     15.87792        -0.187264     -0.001104      0.285584
      3.82970      2.92605     16.12043         0.235017     -0.469148      0.245868
      3.06961      3.84230     15.43159         0.190799      0.257885     -0.019178
      3.09205      5.30176     15.47263         1.757514      1.387375      1.062579
      1.35396      4.66709     14.13066        -0.079285      0.446945     -0.163125
      1.51533      7.20139     14.72307         0.250138      0.260956     -0.441892
      0.25406      7.51822     14.19469         0.221498      0.080055     -0.225195
     21.05268      8.83609     14.19667        -0.334288      0.152548      0.025526
      2.15507      8.33607     15.32280         0.285097     -0.154155     -0.034629
      1.67580      9.67336     15.30255         0.194525     -0.193911     -0.444090
      0.41526      9.99381     14.69870         0.027079      0.217427     -0.179517
     20.94932     11.35573     14.66591        -0.068972     -0.146000     -0.073052
     19.62400     11.59597     14.13635         0.117806      0.332757      0.315106
     19.19670     12.93470     14.00827        -0.427562      0.310677     -0.172277
      0.33092     12.55389     15.05951         0.264385     -0.382460     -0.074280
     -0.11727     13.86228     15.01193        -0.096841     -0.170907      0.177738
     19.89562     14.10096     14.43664        -0.020174     -0.004281      0.245788
     18.62876     10.53932     13.54846         0.413718     -0.043151      0.031485
      2.57227     10.72897     15.94007        -0.759017     -0.103501     -0.391256
     16.15502      0.42463      5.14313        -0.393055     -0.171584     -0.151804
     16.97812      0.91503      6.13390         0.267547     -0.083812      0.508782
     17.06007      2.28422      6.41784        -0.048932      0.181157      0.276927
     15.29208      1.28229      4.48758        -0.025879     -0.088876      0.004790
     15.34727      2.64315      4.79519        -0.225350      0.039845     -0.152036
     16.24036      3.21765      5.71864         0.176526     -0.366961      0.297528
     16.39230     20.22686      4.94322         0.859955      0.946435      1.290802
     17.70818     20.99245      6.71757        -0.898743     -0.147860     -1.046907
     16.28014      4.70384      5.96258         0.165713      0.265111      0.291404
     17.16387      5.32321      6.89122        -0.008509     -0.389765      0.109492
     17.12252      6.70228      7.10823         0.142527      0.051451      0.350411
     15.40130      5.59013      5.29825        -0.117703     -0.074269     -0.147497
     15.37135      6.96932      5.50536        -0.088646      0.212513     -0.147628
     16.25578      7.52704      6.41471        -0.163659      0.202835     -0.121038
     16.43564      8.94322      6.85200         0.822676     -1.120716      0.665932
     17.82587      7.55593      8.12915        -1.123191      0.518225     -0.960970
     17.88667     10.09020      8.58993        -0.155486      0.454790      0.106608
     18.90262      9.99674      9.53116        -0.266727     -0.413781     -0.169481
     19.44270     11.11457     10.11735         0.540498      0.442391      0.463378
     17.46621     11.43810      8.37099        -0.435433     -0.101239     -0.136468
     17.95117     12.56342      9.07946         0.184103     -0.125352      0.303237
     19.02644     12.45737     10.05205        -0.286293      0.040295     -0.167567
     19.74163     13.58022     10.84944        -0.422918     -0.042257     -0.469908
     20.96280     13.49019     11.59833        -0.117972      0.941361     -0.009725
      0.34059     14.61440     12.13700         0.023358     -0.476266      0.095017
     19.27591     14.91258     10.84357         0.212599      0.379258      0.029711
     19.94316     16.05757     11.34764        -0.383341     -0.231512     -0.283241
     21.16209     15.93905     12.01559         0.151045     -0.092467     -0.193247
      0.45652     12.24310     11.84933        -0.309635     -0.475061     -0.505532
     17.28519     13.88614      8.73772        -0.225539     -0.822185      0.763472
     20.28357      1.27649      6.16907         0.168106     -0.290567     -0.018720
     19.73568      2.33358      5.45013        -0.083099     -0.144363     -0.564330
     19.81386      3.63679      5.88568         0.209364      0.158808      0.107589
     20.83852      1.50859      7.41811         0.119664     -0.352579     -0.086303
     20.92399      2.82362      7.85912         0.158772     -0.024315      0.283242
     20.45946      3.92375      7.11505        -0.306255      0.054675     -0.479329
     20.05191      0.00300      5.40878        -0.403782      2.345281     -0.265020
     19.00702      1.76512      4.25554         0.941439     -0.263972      0.882552
     20.62557      5.32970      7.53754        -0.259073      0.970210     -0.123300
     20.22329      6.38850      6.67268        -0.375062     -0.519521     -0.129166
     20.46845      7.70615      7.02549        -0.428120      0.295668     -0.592872
     -0.06821      5.72224      8.76773        -0.154521     -0.265679      0.300587
      0.20981      7.04862      9.09936         0.029801     -0.383895      0.351841
     21.11452      8.02228      8.19612         0.097132      0.381915      0.127789
     -0.00050      9.47702      8.29675        -0.279529      0.101517     -0.609064
     20.06856      8.99217      6.34848        -0.019805      0.043360      0.254096
     20.31597     11.48008      6.96603         0.155316      0.244638     -0.188420
     19.48580     11.89711      5.91671         0.311667     -0.342363     -0.019557
     19.20338     13.23388      5.71847        -0.291858      0.440988     -0.297431
     20.83174     12.56891      7.72742         0.496001     -0.014254      0.226696
     20.60069     13.94521      7.45416        -0.052875     -0.035987     -0.307830
     19.68796     14.35971      6.42150         0.124465      0.028481     -0.058228
     19.15771     15.78377      6.14811        -0.117558      0.078681     -0.409059
     18.26065     16.18484      5.09639         0.302632      0.021838     -0.013072
     17.77746     17.50195      4.99975        -0.126519      0.300306     -0.355284
     19.42742     16.90140      6.97220         0.636629     -0.483186      0.375151
     18.91479     18.17949      6.93000         0.085658      0.325135      0.094937
     18.00982     18.53564      5.93960        -0.061154     -0.196996     -0.298297
     17.74764     15.22880      4.03003         0.447558      0.095547      0.438434
      0.08870     14.98133      8.29780        -0.215737     -0.735727     -0.952307
     12.34063      5.29028      4.03049         0.380236     -0.020954      0.187823
     12.91741      3.73434     20.59404         0.083185      0.054177      0.120201
     12.99829      6.10219     21.10730        -0.082234      0.187907     -0.139371
     12.47044      7.48808      4.36079         0.249417     -0.114660      0.231553
     13.24827      7.93605      0.14403        -0.042457     -0.083621     -0.148025
     13.55164     10.32761      0.41429        -0.109624     -0.126383      0.207680
     13.04620     13.58842      8.47915         0.232350      0.156965     -0.711800
     12.82892     11.83960      7.13626         0.533997     -0.205110     -0.256876
     13.99744     14.27065      3.79912         0.441774     -0.121630      0.126154
     13.01172     17.13390     11.35821        -0.120593      0.073540      0.180715
     14.51542     17.81967      6.83097         0.464279     -0.310835      0.411633
     14.69247     19.55641      8.22860         0.074169     -0.025354      0.318540
     10.21587      6.84528      3.34680        -0.187246      0.048643     -0.144872
      9.38862      3.45832      6.87178         0.314223      0.173406     -0.062393
      9.54169      5.81987      7.49872         0.145031      0.134040      0.157104
     10.57217      8.70588      3.90146        -0.476446      0.132517     -0.204376
      9.64756      7.73768      8.00272         0.124528     -0.063749     -0.022324
      9.89371     10.09628      8.62727         0.089584     -0.063806     -0.149065
     12.30254     15.77129      2.52230        -0.233491      0.147255      0.110218
     11.73618     13.67367      2.94877        -0.464346     -0.005097      0.265199
     10.77140     14.87635      6.94972        -0.429663      0.030741     -0.056004
     12.68940     20.21152      1.10753         0.684543      0.002541     -0.086677
     11.69987     19.23083      5.66676        -0.159156     -0.072902     -0.289722
     11.82713      0.13510      5.16598         0.266338     -0.006370     -0.491500
      9.76163      9.29451     17.21627         0.355105     -0.087747      0.218539
     10.11645      7.76710     12.50391         0.189198      0.003449      0.202823
     10.26991     10.12325     13.02987        -0.058002      0.369092     -0.342117
      9.86526     11.40784     17.62781         0.295207     -0.114129      0.242583
     10.55329     12.04931     13.41292        -0.035638     -0.090251     -0.126331
     10.81208     14.43895     13.79320        -0.143711     -0.132914      0.144185
      9.74151     17.68228      0.49497        -0.338083      0.280953     -0.564939
      9.96585     15.86408     20.58299         0.067004      0.050216     -0.460035
     10.79051     18.33552     17.15561         0.629997     -0.070601     -0.038921
      9.62729      0.01764      3.41899        -0.614704      0.145849      0.020024
     10.97714      0.78869     20.17667         0.148577     -0.246043      0.579411
     10.53514      2.60508      0.11731        -0.236071     -0.047650      0.359169
      7.75000     10.60359     16.09513        -0.462830      0.157837     -0.239008
      6.92225      7.24282     19.65365         0.228986      0.132386     -0.072306
      6.95623      9.60943     20.22330         0.237868      0.069577      0.064144
      7.87273     12.68375     16.67350        -0.416136      0.115578     -0.239431
      6.80919     11.48342     20.66572         0.190705     -0.219321      0.109262
      6.81461     13.79282      0.11450         0.353853     -0.084875      0.103476
      9.51713     19.86115     16.00641        -0.482365      0.262448     -0.250832
      8.87517     17.75614     16.17576        -0.396330     -0.091464      0.214787
      7.22838     18.81973     20.00571        -0.299275     -0.040766     -0.228308
      9.47674      3.00969     14.31591         0.480934     -0.250856      0.118252
      8.53735      2.06002     18.95238        -0.413800     -0.156537     -0.191032
      8.84181      4.22008     18.39870         0.333482     -0.143490     -0.337738
      6.80945     13.02465      8.73777         0.010209     -0.031211      0.061203
      7.54742     11.33438      4.08536        -0.044370      0.126256      0.089498
      7.79065     13.70735      4.57917         0.022546      0.298899     -0.176378
      6.81367     15.15806      9.02535         0.079830      0.066844      0.111136
      8.04812     15.57934      4.90629         0.000849     -0.238626     -0.278463
      8.17172     17.97081      5.14168        -0.340732     -0.197595      0.022955
      6.19793      0.26575     12.78153         0.623881      0.106447     -0.297695
      6.63301     19.64568     11.67396         0.327539     -0.091103     -0.165372
      8.11142      0.79756      8.44980         0.142277     -0.048552      0.066885
      6.60821      3.78041     15.99818        -0.348573      0.285952     -0.204099
      8.09933      4.47983     11.53017         0.522050     -0.051895      0.480827
      7.93772      6.26333     12.76981        -0.134222      0.381186      0.289543
      3.58934     14.44158      9.11114        -0.041443     -0.034562     -0.150187
      4.56828     11.28941     12.85053        -0.004310      0.084433     -0.076973
      4.66277     13.69447     13.22721         0.103818      0.175203      0.227702
      3.96975     16.39115      9.35655        -0.127275      0.009217      0.105703
      4.63422     15.66055     13.60200         0.240335     -0.132522     -0.154301
      5.00483     18.04865     13.93096         0.199493     -0.135838     -0.367047
      5.42912      2.29582      7.42049         0.006452      0.175685      0.236077
      4.95071      0.20555      8.00154        -0.191827      0.034318      0.265177
      4.47009      1.56658     12.04935        -0.554346     -0.022777      0.044496
      6.75964      6.63671      5.99681         0.377342      0.039931     -0.290448
      5.45212      5.94462     10.51112         0.295016     -0.077704     -0.495444
      5.86341      8.02036      9.96526         0.471674     -0.243669     -0.518927
      2.10692     16.46461      3.22537        -0.023004      0.020252      0.058634
      0.46137     14.94095     20.03449        -0.016993     -0.076376      0.319464
      0.53632     17.26576     20.52731        -0.265950      0.115029     -0.035280
      1.82608     18.74972      3.58662        -0.003921      0.021602      0.063039
      0.26438     19.02897     20.80003        -0.029056     -0.333316     -0.209371
      0.03812      0.16468     21.01059        -0.084967     -0.112810     -0.133163
      2.53296      3.81333      6.97539        -0.169339      0.296112     -0.370882
      2.34255      2.02159      5.88011        -0.074323     -0.054956     -0.244528
      0.72097      4.32873      2.63123        -0.253417     -0.114091      0.042722
      3.72453      7.53550      9.48565        -0.102167      0.037870      0.308157
      1.83879      8.28848      5.12260        -0.050274     -0.079526      0.861936
      2.49975     10.10214      6.26451        -0.038429     -0.070981      0.437051
      3.29602     17.04092     21.05637         0.191555      0.112104     -0.459311
      6.02299     13.79932      2.36512        -0.202389      0.076659      0.149253
      6.06046     16.13423      2.97117         0.063492      0.155479      0.203965
      3.40329     19.25969      0.44369         0.060940      0.075767     -0.236212
      6.16647     18.00635      3.51784         0.087968     -0.309253      0.106778
      6.40318     20.29108      4.28235        -0.065210     -0.103396      0.012790
      1.89633      5.41236      0.52146         0.344556      0.181880      0.168808
      2.42670      3.36178      0.46261        -0.125844     -0.438306     -0.118211
      4.82780      3.95422      3.95288         0.107767     -0.119728     -0.235802
      1.50990     10.26352     21.15681        -0.568849      0.191929      0.214100
      4.19063      8.74359      3.58816         0.353959      0.477835     -1.031090
      3.69799     10.89880      3.54853         0.115228      0.266698     -0.141160
     20.45075     19.54258     14.74084        -0.094993     -0.011643      0.535872
     16.60477     17.81533     12.09316         0.188703      0.096806      0.078460
     16.91415     20.21634     12.38742        -0.069764      0.163720     -0.100593
     20.67222      0.31293     15.00358        -0.152195      0.108595      0.207143
     16.97646      0.85861     12.83847        -0.240104     -0.159622     -0.148606
     16.97828      3.25358     13.35259         0.214445     -0.223438     -0.059545
      2.50696      6.69379     17.21793        -0.295185     -0.027895      0.713713
      1.43428      4.69983     17.03746        -0.541539     -0.040588      0.146414
     19.31561      7.09151     15.95140        -0.156358     -0.028995      0.511660
      4.46267     10.03555     20.25240         0.237194      0.145289     -0.398990
      0.17607     10.71052     18.22317         1.004057     -0.322936      0.584328
      1.30575     12.52906     18.76599        -0.196002      0.554455      0.460465
      0.72105     21.14620     13.37556        -0.069091      0.194259     -0.445359
      3.71983     17.77990     15.43534        -0.350115      0.260622      0.093017
      4.20619     20.15363     15.71503        -0.100433      0.173543      0.244345
      0.94890      1.80676     13.76604         0.231052      0.165209     -0.391259
      4.33435      0.86050     16.23556        -0.616383     -0.074352      0.529921
      4.71634      3.24125     16.68866        -0.672164     -0.052506      0.187818
     20.04680      8.89218     13.82530         0.218875     -0.014198      0.005851
     20.78451      6.79155     13.83235         0.480030     -0.119107     -0.152220
      2.95964      8.14028     16.02434         0.609861      0.124388     -0.661264
     18.33219     13.11662     13.38876        -0.487919     -0.055294      0.226359
      1.35851     12.55816     15.36561        -0.240504     -0.122474     -0.403476
      0.62049     14.61277     15.32304        -0.665461     -0.028654     -0.108977
     17.80767      2.64811      7.12268        -0.236381     -0.174490      0.263642
     14.56760      0.86919      3.78787         0.168762      0.177296     -0.106463
     14.63206      3.26909      4.28571        -0.067857      0.326280     -0.167767
     17.89222      4.71821      7.43001        -0.089108      0.054053      0.192970
     14.69584      5.20449      4.57621        -0.179566     -0.199221     -0.205256
     14.65959      7.60756      4.97273         0.156256     -0.193887      0.030427
     20.34071     10.83173     10.62952        -0.302648      0.237589     -0.148186
     19.40952      9.06305      9.76525        -0.389529     -0.075773     -0.013826
     16.72579     11.63113      7.59916        -0.052249     -0.048162      0.104720
      1.13960     14.39522     12.82080         0.547696      0.104265     -0.180030
     18.40538     15.19517     10.26490         0.078436     -0.218930      0.642457
     19.45291     17.00340     11.10765         0.373779     -0.001591      0.171032
     19.35310      4.40747      5.27873        -0.012530      0.126196     -0.109361
     21.17485      0.67172      8.03813         0.088248      0.155165     -0.068793
      0.16770      2.98020      8.80192        -0.012580      0.153392      0.370873
     19.70897      6.16594      5.72741         0.223050      0.200684      0.401451
      0.25379      4.96464      9.47648        -0.420414      0.048204      0.135974
      0.69759      7.28888     10.04480        -0.056714      0.048003      0.017447
     18.49975     13.33960      4.91712         0.141266      0.039822      0.208741
     19.02804     11.20896      5.20850         0.096575     -0.137520      0.231125
      0.15811     12.34501      8.61422         0.285489     -0.023817     -0.217850
     17.07916     17.68217      4.19454         0.186791      0.198989     -0.177399
     20.08467     16.82333      7.81336         0.007913     -0.025447     -0.418673
     19.31754     18.87909      7.66124        -0.330392      0.051246     -0.043153
     14.02002     19.32323     10.67425        -0.134760     -0.002567      0.216196
     18.74078     20.96834      3.74349         0.653581      0.620833      0.238047
     12.53344      1.20734      2.69809         0.495022      0.206218     -0.193845
     13.49559     11.63448      4.45401         0.265120     -0.233291     -0.098438
      9.79542      2.64405      2.82804        -0.437803     -0.052159     -0.014649
     10.70937     12.66737      5.35100        -0.527810      0.047144     -0.274858
      9.67571      5.22985     15.90000         0.297417     -0.155096     -0.051167
     10.51671     15.65705     17.83350         0.321665     -0.371107      0.029177
      7.06435      6.44283     15.50434        -0.504591     -0.177753      0.314569
      7.64394     16.60149     18.35240        -0.614706     -0.098270     -0.036829
      6.55002      8.96452      7.43829         0.293319      0.244616      0.084949
      7.41970     19.39217      9.05586         0.312078      0.060206     -0.127789
      3.49355     10.19118      8.90609         0.049237     -0.006119      0.075175
      4.36950     20.48790     10.58470        -0.331146     -0.254323     -0.136167
      2.21614     12.39303      1.61572        -0.551400     -0.492657      0.116332
      1.31453      1.70137      3.39247        -0.211490      0.441258      0.016241
      3.65870     12.75831     20.26644         0.585605     -0.067140      0.563393
      4.11689      1.88833      2.17782         0.395837      0.060451      0.261179
     19.46458     15.45121     14.18027        -0.213782      0.142699      0.779771
     20.11928      4.45661     15.92533        -0.274065      0.229217     -0.123910
      0.65181     17.00055     12.63498        -0.633903      0.062188     -0.876972
      2.04384      5.83167     14.69845        -0.501457     -0.016910     -0.350246
     17.40874     19.84118      5.87541        -0.195609      0.146814      0.017380
     17.44558      8.92974      7.86471        -0.340762      0.178082      0.098764
     19.26274      0.40160      4.31705        -0.283364     -1.010746     -0.753048
     20.56404     10.07002      7.19403         0.074555      0.173079     -0.509983
     12.14498      2.31777      4.74389         0.148139      0.109443      1.343826
     13.04609      0.98314      0.44577         1.098060     -1.230405     -2.106356
     13.02892      9.95507      6.02424         0.032812     -0.850303      1.710148
     13.71339     12.60652      2.35747         0.774486      3.163691     -2.429237
     10.04125      4.48437      1.40432        -0.235547      0.875875     -1.735687
      9.38894      1.45404      4.80923        -0.262275     -0.472570      0.643535
     10.84763     11.60425      3.24778        -0.722567     -0.087215      0.193764
     10.29927     12.88203      7.63359        -0.398152      1.425487      2.209659
      9.49294      6.37159     17.94149         0.109918      0.013926      1.896968
     10.13075      4.94321     13.61261         0.677240      0.498464      0.390316
     10.11640     13.92210     19.37902         0.133492     -0.718042      1.671588
     10.81101     16.65102     15.76122         0.633060      2.140151     -1.735258
      7.40332      8.29483     14.12817        -0.354966      0.757669     -1.221192
      6.75433      5.23309     17.48160        -0.589107     -1.816402      1.286014
      8.07088     15.67369     16.23125        -0.516663     -0.104504     -0.699762
      7.12145     16.67151     20.61867        -0.487601      1.031959      2.090420
      6.41976     10.13601      9.47862         0.075218      0.120348      1.613736
      7.04851      8.61899      5.19559         0.302630     -0.531594     -1.182198
      6.87248     17.72080     10.60248        -0.172458     -0.848139      2.403988
      8.06466     20.34005      7.03539         0.270958      1.021165     -1.155498
      3.07580     11.96346      7.43837        -0.396494      0.786282     -1.564185
      4.02576      9.09595     10.89804         0.163447     -1.614321      1.352632
      4.25461     19.30787      8.50242        -0.230541     -0.038226      0.725490
      4.55768     20.71051     12.97697        -0.478447     -2.176525     -3.176669
      2.96343     13.38681      3.60919         1.561441     -0.346848      2.993122
      0.70219     12.22989     21.07104        -0.665899     -0.137461      0.039103
      2.13246      0.14480      4.95939         0.918867     -0.584840      1.767412
      0.42905      2.54948      1.42778        -0.854537      0.916997     -1.133117
      2.64094     14.51861     19.15162        -1.197345      1.180240     -2.383465
      4.98091     11.66879      0.58996         0.944177     -1.471215      0.845125
      2.92782      1.07554      0.34234        -0.969214      0.179675     -1.839053
      5.68251      1.88053      3.90369         0.921126      0.260899      0.923527
     -0.13102     16.68448     15.33712        -0.946125      0.120155      0.285018
     17.54756     15.07337     12.93534        -2.690070     -2.096785     -1.168934
      0.34903      2.76420     16.52769         0.713671     -0.701045      0.988765
     18.40249      5.51339     14.71410        -0.827847      0.999551     -0.334384
     20.80606     18.90595     11.77851        -0.536833      0.503851     -1.086626
      2.13985     15.76539     13.94396         1.539923     -3.248138      0.916804
      0.31036      4.72930     13.50424         0.068457     -0.098701     -0.441520
      3.90203      5.97082     16.14635        -0.705743     -0.700390     -1.211634
     18.40005     20.97646      7.69764         0.710769     -0.111794      1.422948
     15.88520     19.49259      4.14451        -0.978714     -0.983233     -1.468014
     18.49817      7.19175      9.04839         0.636750     -0.670642      1.572096
     15.86094      9.93219      6.48957        -0.800583      1.189447     -0.816872
     18.31585      2.29172      3.42164        -0.691352      0.908142     -0.970154
     20.41722     20.14433      5.61062         0.981662     -2.021362      0.392509
     19.40528      9.12007      5.33103         0.080687      0.031184      0.153124
      0.57238     10.08441      9.17141         0.642023      0.300250      0.304265
     13.64014     17.62877      5.34037         0.344152      0.046006     -0.243134
     15.61827     16.81699      5.56549         0.033066     -0.296333     -0.032400
     14.49001     16.46027      3.72543         0.257777     -0.005549      0.207769
     11.96415     15.17997     11.30547        -0.105320      0.141091     -0.120320
     11.46507     14.57692      9.25116        -0.037909      0.020102      0.936318
     13.41410     13.96439     10.21630        -0.566016      0.012481      0.574507
     11.93847     18.26090      7.19569        -0.474053     -0.672930      0.282100
      9.99948     18.40344      6.29058        -0.037206     -0.028217      0.552112
     10.40840     16.84144      7.83127        -0.213636      0.290887      0.114762
     12.94268     18.24633      0.11381         0.622413     -0.004915     -0.031366
     13.87904     16.79036      1.51657         0.039679      0.664013     -0.693874
     11.79065     16.63558      0.97807         0.463346      0.485032     -0.226222
     10.09233      0.34943     18.69066         0.705064      0.256898     -0.345834
     12.21790     -0.07544     18.80661         0.337615     -0.178180     -0.093050
     11.10444     20.66489     17.01377         0.726274     -0.071814      0.039020
      9.19198     19.19219      3.54758        -0.410694      0.090952      0.391809
      8.19774     18.54554      1.70079        -0.257032      0.183702      0.210809
     10.27763     18.05984      2.06012        -1.155449      0.074987      0.781990
      8.18187      0.81804     20.45294        -0.882387     -0.389876     -0.113633
      6.48011      1.20434     19.15898        -0.726526     -0.320393      0.341077
      6.39881     20.84099     20.68742        -0.239343      0.227981      0.036782
      9.11582      0.91335     13.35995         1.205687      0.498337     -0.595074
     10.47163     21.00367     14.64844         1.166775      0.540237     -0.277319
      8.48043     20.46308     14.38958        -0.984573     -2.032121     -0.286711
      7.59797      4.08865      9.90740         0.824954      0.007538     -0.447304
      9.58657      3.42589     10.44655         0.236317     -0.321919     -0.400903
      8.72061      2.90381      8.48168         0.533630      0.035224      0.252057
      6.18249      1.71680     16.08071        -0.337050      0.097140     -0.279728
      5.03746      1.56975     14.11249        -0.075399     -0.208934      0.513239
      6.87323      0.51005     14.41716        -1.482658      1.654475      1.753967
      5.75861      4.95442     11.89280        -0.948794     -0.159114      0.295009
      3.63223      5.03011     11.74634        -0.575267     -0.448683      0.569256
      4.52962      3.50874     12.95304        -0.360077      0.039531      0.365369
      6.91656      4.42343      5.10155         0.504110     -0.266130      0.188332
      7.13770      2.96132      6.68362         0.212690     -0.091201     -0.304877
      5.14006      3.42421      5.95010         0.687624      0.589819     -0.087003
     -0.06959      7.35422      4.54137        -0.404251      0.069721     -0.158343
      1.75800      7.60190      3.48237        -0.674654      0.139004     -0.350600
      0.11203      6.45312      2.60185        -0.411924      0.003018     -0.309202
      3.49450      5.46126      9.65978        -0.355751     -0.327963     -0.038149
      2.00485      4.40983      8.57423        -0.104658      0.157900      0.581857
      3.91489      4.57758      7.65893         0.390726     -0.015767      0.115486
      5.75200      7.23848      3.49688         0.379606     -0.232134      0.089432
      3.94000      7.42794      4.69822         0.193384     -0.068646     -0.017015
      5.13098      5.73749      5.02555        -0.147369      0.393349      0.022357
      1.11973      8.15886     20.14873        -1.253982      0.149015      0.451962
      2.74684      6.92223     -0.29698        -0.771142      0.399467     -1.444362
      0.68531      6.77562      0.39026        -0.750333      0.492244      0.385566
     19.72206      9.58050     18.63745        -0.573362     -0.251724      0.023349
     20.39778     10.46650     16.77635        -0.776076     -0.466342      0.350901
     18.70756      9.09221     16.70913         0.305934      0.072724      1.032819
      4.75888      7.82720     19.96697        -0.007137     -0.137142     -0.193149
      3.24240      6.61459     18.89870         1.106105      0.452869      1.042199
      4.50763      7.80283     17.74226         0.775452      0.895168     -0.120433
      3.15596     11.53245     14.98579         0.366166     -0.135357     -0.061876
      1.86461     11.60202     16.74617         1.071387     -0.179890     -0.846182
      3.55176     10.24453     16.71834         0.721905      0.009822     -0.679383
     17.53960     11.13312     13.02287        -0.478746      0.124116      0.306740
     19.07642      9.72765     12.50029        -0.303510      0.439164      0.344120
     18.23308      9.63513     14.50837        -0.398884      0.720073     -0.586162
     16.61703     14.36368      9.85868        -0.339893     -0.088351     -0.452349
     18.16350     14.86472      8.39423        -0.668212      0.097796     -0.147318
     16.38573     13.78496      7.73336        -0.050177      0.189244      0.010609
      1.41276     12.28291     12.79253         0.687495      0.298415     -0.110198
     20.88011     11.22316     12.20391         1.145859     -0.218225      0.050598
      1.06584     11.82740     10.71246         0.557067      0.154223     -0.285144
      0.78437     15.86535      7.50030         0.300868     -0.357309      0.214344
     20.52195     15.75555      9.06254         0.897563     -0.147710     -0.218074
      0.95244     14.41572      9.16729         0.554529      0.026863     -0.127134
     17.03701     15.79905      3.03191         0.198807     -0.023092     -0.009594
     18.82268     14.57980      3.44102        -0.582596      0.275165     -0.499424
     16.91081     14.25728      4.58682         0.048759      0.546966     -0.639273
 -----------------------------------------------------------------------------------
    total drift:                                0.000655     -0.010742     -0.006513


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4534.2744379132 eV

  energy  without entropy=    -4534.4232130772  energy(sigma->0) =    -4534.32402963
 
 d Force = 0.4007929E+00[-0.106E-01, 0.812E+00]  d Energy = 0.4023198E+00-0.153E-02
 d Force =-0.6114694E+03[-0.615E+03,-0.608E+03]  d Ewald  =-0.6114642E+03-0.526E-02


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   22(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3184
 total energy-change (2. order) : 0.2427688E+01  (-0.3026638E+03)
 number of electron    2497.9999989 magnetization 
 augmentation part      163.0764104 magnetization 

  free energy =  -0.453184674233E+04  energy without entropy=  -0.453199528428E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   22(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3624
 total energy-change (2. order) :-0.8205053E+01  (-0.9650915E+01)
 number of electron    2497.9999987 magnetization 
 augmentation part      163.3302949 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7726
  0.7726

  free energy =  -0.454005179583E+04  energy without entropy=  -0.454020635431E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   22(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3760
 total energy-change (2. order) : 0.3816860E+00  (-0.1932459E+00)
 number of electron    2497.9999987 magnetization 
 augmentation part      163.0534617 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2755
  1.2755  1.2755

  free energy =  -0.453967010987E+04  energy without entropy=  -0.453982153565E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   22(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3600
 total energy-change (2. order) : 0.5730535E-01  (-0.1499596E+00)
 number of electron    2497.9999987 magnetization 
 augmentation part      162.7891395 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2370
  2.0276  0.8650  0.8183

  free energy =  -0.453961280452E+04  energy without entropy=  -0.453976894816E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   22(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) :-0.2467383E-01  (-0.3095190E-01)
 number of electron    2497.9999987 magnetization 
 augmentation part      162.8451556 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3033
  2.2963  0.9962  0.9962  0.9247

  free energy =  -0.453963747835E+04  energy without entropy=  -0.453978796554E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   22(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3608
 total energy-change (2. order) : 0.1023230E-01  (-0.1485383E-01)
 number of electron    2497.9999987 magnetization 
 augmentation part      162.8640977 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2419
  2.3946  1.0979  1.0979  0.8095  0.8095

  free energy =  -0.453962724605E+04  energy without entropy=  -0.453978522484E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   22(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) :-0.2912491E-03  (-0.4207234E-02)
 number of electron    2497.9999987 magnetization 
 augmentation part      162.8873247 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2083
  2.4157  1.2014  1.2014  0.9265  0.9265  0.5786

  free energy =  -0.453962753730E+04  energy without entropy=  -0.453977841591E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   22(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3496
 total energy-change (2. order) : 0.6739796E-03  (-0.7905454E-03)
 number of electron    2497.9999987 magnetization 
 augmentation part      162.9083251 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1973
  2.3860  1.1506  1.1506  1.1365  1.1365  0.8663  0.5549

  free energy =  -0.453962686332E+04  energy without entropy=  -0.453977952130E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   22(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) :-0.1601475E-03  (-0.7899953E-03)
 number of electron    2497.9999987 magnetization 
 augmentation part      162.8975006 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.1829
  2.4771  1.2804  1.2804  1.0223  1.0223  0.9084  0.9084  0.5637

  free energy =  -0.453962702347E+04  energy without entropy=  -0.453977965855E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   22(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3688
 total energy-change (2. order) :-0.2905280E-03  (-0.1196400E-03)
 number of electron    2497.9999987 magnetization 
 augmentation part      162.8953075 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2138
  2.5652  1.7414  1.0624  1.0624  1.2573  0.9080  0.9080  0.8548  0.5649

  free energy =  -0.453962731399E+04  energy without entropy=  -0.453977978353E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   22(  11)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) :-0.3954887E-03  (-0.4328142E-04)
 number of electron    2497.9999987 magnetization 
 augmentation part      162.8946641 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2129
  2.5961  1.8168  1.3953  1.0337  1.0337  0.9722  0.9722  0.8701  0.8701  0.5692

  free energy =  -0.453962770948E+04  energy without entropy=  -0.453978027907E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   22(  12)  ---------------------------------------



 eigenvalue-minimisations  :  3352
 total energy-change (2. order) :-0.3151424E-03  (-0.5792551E-05)
 number of electron    2497.9999987 magnetization 
 augmentation part      162.8950037 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2477
  2.6517  2.2436  1.0373  1.0373  1.3102  1.3102  0.9151  0.9151  0.8678  0.8678
  0.5687

  free energy =  -0.453962802462E+04  energy without entropy=  -0.453978058707E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   22(  13)  ---------------------------------------



 eigenvalue-minimisations  :  3136
 total energy-change (2. order) :-0.3577334E-03  (-0.4883566E-05)
 number of electron    2497.9999987 magnetization 
 augmentation part      162.8955873 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2916
  2.9254  2.5209  1.4567  1.4567  1.0312  1.0312  0.9647  0.9647  0.8917  0.8917
  0.5692  0.7955

  free energy =  -0.453962838236E+04  energy without entropy=  -0.453978093932E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   22(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2920
 total energy-change (2. order) :-0.2325693E-03  (-0.3146073E-05)
 number of electron    2497.9999987 magnetization 
 augmentation part      162.8953992 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3551
  3.6907  2.5795  1.6234  1.6234  1.0378  1.0378  1.0703  1.0703  0.8709  0.8709
  0.5689  0.8462  0.7261

  free energy =  -0.453962861493E+04  energy without entropy=  -0.453978121952E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   22(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2624
 total energy-change (2. order) :-0.1524806E-03  (-0.1944879E-05)
 number of electron    2497.9999987 magnetization 
 augmentation part      162.8951202 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3643
  4.1526  2.5855  1.8020  1.4941  1.0385  1.0385  1.0789  1.0789  0.8945  0.8945
  0.8718  0.8718  0.5689  0.7297

  free energy =  -0.453962876741E+04  energy without entropy=  -0.453978135692E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   22(  16)  ---------------------------------------



 eigenvalue-minimisations  :  2368
 total energy-change (2. order) :-0.5248844E-04  (-0.6038063E-06)
 number of electron    2497.9999987 magnetization 
 augmentation part      162.8950432 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4004
  4.5132  2.5731  1.9859  1.0349  1.0349  1.2668  1.2668  1.2409  1.1300  0.9052
  0.9052  0.9582  0.9582  0.5689  0.6638

  free energy =  -0.453962881990E+04  energy without entropy=  -0.453978142074E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   22(  17)  ---------------------------------------



 eigenvalue-minimisations  :  2320
 total energy-change (2. order) :-0.4344931E-04  (-0.3932808E-06)
 number of electron    2497.9999987 magnetization 
 augmentation part      162.8950822 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4762
  5.4051  2.6297  2.3800  1.5455  1.4913  1.0374  1.0374  1.0993  1.0993  0.9638
  0.9638  0.9351  0.8912  0.8912  0.5689  0.6801

  free energy =  -0.453962886335E+04  energy without entropy=  -0.453978146457E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   22(  18)  ---------------------------------------



 eigenvalue-minimisations  :  2312
 total energy-change (2. order) :-0.2739910E-04  (-0.2664758E-06)
 number of electron    2497.9999987 magnetization 
 augmentation part      162.8951119 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5043
  5.7643  2.5928  2.5928  1.7590  1.2997  1.2997  1.0401  1.0401  1.3438  1.0161
  1.0161  0.8903  0.8903  0.8854  0.8854  0.5688  0.6892

  free energy =  -0.453962889074E+04  energy without entropy=  -0.453978149231E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   22(  19)  ---------------------------------------



 eigenvalue-minimisations  :  2288
 total energy-change (2. order) :-0.1092127E-04  (-0.1070828E-06)
 number of electron    2497.9999987 magnetization 
 augmentation part      162.8951119 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.5290
  6.0504  2.9106  2.5472  1.8862  1.4444  1.3241  1.3241  1.0401  1.0401  1.0606
  1.0606  0.5688  0.9010  0.9010  0.9300  0.9300  0.9116  0.6904

  free energy =  -0.453962890167E+04  energy without entropy=  -0.453978150498E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   22(  20)  ---------------------------------------



 eigenvalue-minimisations  :  2216
 total energy-change (2. order) :-0.7317838E-05  (-0.8910107E-07)
 number of electron    2497.9999987 magnetization 
 augmentation part      162.8951119 magnetization 

  free energy =  -0.453962890898E+04  energy without entropy=  -0.453978151057E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.9539       2 -56.1365       3 -56.0197       4 -55.7579       5 -55.7592
       6 -56.2796       7 -57.9701       8 -58.3113       9 -56.2883      10 -55.9966
      11 -56.0388      12 -55.7801      13 -55.7502      14 -55.9458      15 -57.9549
      16 -58.0820      17 -56.3162      18 -54.8827      19 -54.6541      20 -55.1438
      21 -55.5856      22 -55.5454      23 -55.6196      24 -55.6038      25 -55.0291
      26 -54.6747      27 -54.8717      28 -54.9862      29 -60.4626      30 -60.3988
      31 -55.5938      32 -55.8222      33 -55.7087      34 -55.2103      35 -55.4623
      36 -55.9544      37 -57.7615      38 -58.0880      39 -56.0191      40 -55.7165
      41 -55.8723      42 -55.6546      43 -55.6915      44 -55.8247      45 -58.0108
      46 -58.2304      47 -56.4715      48 -55.0829      49 -54.8243      50 -55.2628
      51 -55.8351      52 -55.7403      53 -55.6896      54 -55.8249      55 -55.1539
      56 -54.7252      57 -54.9652      58 -56.3930      59 -60.4810      60 -60.6695
      61 -55.8190      62 -55.9482      63 -55.8733      64 -55.6644      65 -55.6948
      66 -56.1576      67 -58.0175      68 -58.1632      69 -56.2417      70 -55.9463
      71 -56.0845      72 -55.7239      73 -55.6763      74 -55.9313      75 -58.0009
      76 -58.2225      77 -56.5048      78 -55.0248      79 -54.7782      80 -55.3464
      81 -55.7779      82 -55.7895      83 -55.7818      84 -55.8113      85 -55.0826
      86 -54.9254      87 -55.0813      88 -56.4640      89 -60.7004      90 -60.5201
      91 -55.6632      92 -55.7970      93 -55.6769      94 -55.4037      95 -55.4705
      96 -55.9837      97 -57.7778      98 -58.0272      99 -56.0535     100 -55.8236
     101 -55.9285     102 -55.5104     103 -55.5551     104 -55.8278     105 -58.0271
     106 -58.2698     107 -56.4726     108 -55.0275     109 -54.8403     110 -55.3002
     111 -55.7670     112 -55.7152     113 -55.6922     114 -55.8149     115 -55.2399
     116 -54.8522     117 -54.9908     118 -56.3913     119 -60.4581     120 -60.5337
     121 -55.8620     122 -55.9425     123 -55.8152     124 -55.7126     125 -55.7021
     126 -56.1117     127 -57.9519     128 -58.1730     129 -56.0427     130 -55.7425
     131 -55.8692     132 -55.5636     133 -55.5214     134 -55.7678     135 -57.8718
     136 -58.0315     137 -56.4040     138 -54.9487     139 -54.6873     140 -55.2395
     141 -55.7223     142 -55.8029     143 -55.7065     144 -55.6428     145 -55.0570
     146 -54.8824     147 -55.0774     148 -56.3806     149 -60.5442     150 -60.5723
     151 -55.5685     152 -55.6668     153 -55.5269     154 -55.3474     155 -55.3849
     156 -55.8391     157 -57.7522     158 -57.8431     159 -55.9225     160 -55.6719
     161 -55.8582     162 -55.4859     163 -55.5277     164 -55.7579     165 -57.9773
     166 -58.2445     167 -56.5889     168 -55.1998     169 -54.9010     170 -55.3857
     171 -55.9258     172 -55.9156     173 -55.8420     174 -55.7182     175 -55.1332
     176 -54.6492     177 -54.9245     178 -56.3001     179 -60.4813     180 -60.6423
     181 -55.8799     182 -56.1109     183 -55.9430     184 -55.6423     185 -55.6301
     186 -56.2359     187 -57.9955     188 -58.1938     189 -56.1996     190 -55.8332
     191 -55.9449     192 -55.7027     193 -55.6332     194 -55.8398     195 -57.9246
     196 -58.1664     197 -56.4029     198 -54.9014     199 -54.7246     200 -55.2332
     201 -55.7722     202 -55.7967     203 -55.6809     204 -55.6670     205 -55.1197
     206 -54.9143     207 -55.0181     208 -56.3768     209 -60.7301     210 -60.4889
     211 -56.0204     212 -56.1919     213 -55.9602     214 -55.7928     215 -55.7368
     216 -56.2845     217 -58.1184     218 -58.3453     219 -56.1913     220 -55.8376
     221 -55.9491     222 -55.6244     223 -55.5222     224 -55.8163     225 -57.8375
     226 -58.1168     227 -56.3398     228 -54.8234     229 -54.7938     230 -55.0507
     231 -55.5893     232 -55.8113     233 -55.8677     234 -55.5462     235 -55.2272
     236 -54.8462     237 -55.0944     238 -56.4688     239 -60.3022     240 -60.3468
     241 -55.9098     242 -55.9434     243 -55.8220     244 -55.7145     245 -55.7238
     246 -56.1387     247 -57.9488     248 -58.1872     249 -56.2076     250 -55.9256
     251 -56.0460     252 -55.7458     253 -55.7672     254 -55.9525     255 -58.0591
     256 -58.1674     257 -56.5593     258 -55.1695     259 -54.9420     260 -55.3438
     261 -55.8184     262 -55.8960     263 -55.8950     264 -55.8755     265 -55.4467
     266 -54.9388     267 -55.2664     268 -56.5104     269 -60.5355     270 -60.4696
     271 -55.8496     272 -55.9320     273 -55.7232     274 -55.7201     275 -55.6775
     276 -56.0147     277 -58.0583     278 -58.2085     279 -55.7613     280 -55.5672
     281 -55.6596     282 -55.3851     283 -55.3023     284 -55.6001     285 -57.9017
     286 -58.1545     287 -56.6306     288 -55.2003     289 -54.9525     290 -55.5066
     291 -55.8495     292 -55.8087     293 -55.7680     294 -55.8403     295 -55.1303
     296 -54.7935     297 -54.9497     298 -56.3930     299 -60.4601     300 -60.6978
     301 -55.8502     302 -55.9733     303 -55.8361     304 -55.5807     305 -55.6022
     306 -56.0915     307 -58.0037     308 -58.2215     309 -56.1357     310 -55.8106
     311 -55.9617     312 -55.6531     313 -55.6472     314 -55.8685     315 -57.9373
     316 -58.0810     317 -56.3866     318 -54.9121     319 -54.6842     320 -55.1799
     321 -55.6896     322 -55.7360     323 -55.7632     324 -55.7455     325 -55.0809
     326 -55.0159     327 -55.1777     328 -56.4941     329 -60.4807     330 -60.3544
     331 -55.7534     332 -55.8124     333 -55.6415     334 -55.5793     335 -55.5275
     336 -55.9608     337 -57.8991     338 -57.9091     339 -55.7742     340 -55.5006
     341 -55.6131     342 -55.3578     343 -55.3661     344 -55.5703     345 -57.7758
     346 -57.9274     347 -56.3622     348 -54.8710     349 -54.7152     350 -55.2429
     351 -55.6628     352 -55.6810     353 -55.6177     354 -55.5529     355 -55.0395
     356 -54.5923     357 -54.8304     358 -56.2718     359 -60.3802     360 -60.5018
     361 -38.9949     362 -38.7016     363 -38.8990     364 -39.0762     365 -38.8906
     366 -38.5929     367 -37.9890     368 -38.1040     369 -38.1014     370 -38.1721
     371 -38.2120     372 -38.1626     373 -38.8145     374 -38.2689     375 -38.6392
     376 -38.8700     377 -38.7523     378 -38.6704     379 -38.0855     380 -38.0407
     381 -38.1608     382 -38.0251     383 -38.1922     384 -37.9802     385 -38.7504
     386 -38.6445     387 -38.8011     388 -38.9187     389 -38.7833     390 -38.4754
     391 -38.1480     392 -38.0877     393 -38.2511     394 -38.1357     395 -38.1249
     396 -38.2313     397 -38.7480     398 -38.2975     399 -38.6150     400 -38.8333
     401 -38.5741     402 -38.7142     403 -38.1150     404 -38.0281     405 -38.1248
     406 -38.0325     407 -38.0116     408 -37.8726     409 -38.7274     410 -38.6908
     411 -38.9230     412 -38.6911     413 -38.8080     414 -38.4804     415 -37.8832
     416 -38.1755     417 -37.9852     418 -38.2404     419 -38.2667     420 -38.1809
     421 -38.5559     422 -38.2546     423 -38.5568     424 -38.6987     425 -38.5547
     426 -38.6624     427 -38.0925     428 -38.1503     429 -38.3471     430 -38.0817
     431 -38.1692     432 -37.8635     433 -38.6986     434 -38.5797     435 -38.8942
     436 -38.6812     437 -38.9045     438 -38.5660     439 -38.4680     440 -38.0930
     441 -38.1168     442 -38.3039     443 -38.1441     444 -37.8823     445 -38.7884
     446 -38.7746     447 -38.8204     448 -38.7127     449 -38.7179     450 -38.3647
     451 -37.8557     452 -37.9020     453 -37.9273     454 -38.2653     455 -37.9906
     456 -37.8632     457 -38.9650     458 -38.5569     459 -38.8636     460 -38.9662
     461 -38.8940     462 -38.6380     463 -38.3727     464 -38.2773     465 -38.0997
     466 -38.2572     467 -38.0735     468 -38.1772     469 -39.0014     470 -38.6465
     471 -38.6909     472 -38.7646     473 -38.4891     474 -38.3072     475 -38.1869
     476 -38.1044     477 -38.4784     478 -38.0826     479 -38.1492     480 -37.9203
     481 -38.7969     482 -38.6242     483 -38.8104     484 -38.8147     485 -38.8324
     486 -38.6360     487 -37.9887     488 -38.1318     489 -37.9723     490 -38.3048
     491 -38.0724     492 -38.1934     493 -38.8493     494 -38.4352     495 -38.7240
     496 -38.6692     497 -38.5100     498 -38.4240     499 -38.0142     500 -37.8203
     501 -38.1108     502 -37.9957     503 -38.0230     504 -37.8457     505 -38.2583
     506 -41.0395     507 -71.6341     508 -71.5809     509 -71.5429     510 -71.6037
     511 -71.4323     512 -71.6199     513 -71.3842     514 -71.6306     515 -71.6443
     516 -71.5255     517 -71.3261     518 -71.6931     519 -71.6094     520 -71.6687
     521 -71.6745     522 -71.4531     523 -71.5353     524 -71.5778     525 -71.6874
     526 -71.4786     527 -71.5973     528 -71.5710     529 -71.2344     530 -71.5287
     531 -76.9683     532 -76.5374     533 -76.7061     534 -76.4684     535 -76.7024
     536 -76.3442     537 -77.0455     538 -76.6063     539 -76.8113     540 -76.9102
     541 -76.8089     542 -76.5719     543 -76.7505     544 -76.3868     545 -77.0332
     546 -76.6301     547 -76.7999     548 -76.5593     549 -76.6284     550 -76.4559
     551 -76.4478     552 -76.3749     553 -76.9718     554 -76.3825     555 -76.6127
     556 -76.8527     557 -76.7705     558 -76.5371     559 -76.8890     560 -76.7664
     561 -76.6868     562 -76.4157     563 -76.9583     564 -76.4600     565 -76.8572
     566 -76.6525     567 -76.8602     568 -76.6415     569 -77.0317     570 -76.5030
     571 -76.8886     572 -76.6069     573 -76.6290     574 -76.5251     575 -76.4530
     576 -76.4708     577 -76.5497     578 -76.2392     579 -82.5136     580 -82.5066
     581 -82.2512     582 -82.4370     583 -82.4446     584 -82.3036     585 -82.5766
     586 -82.6279     587 -82.5572     588 -82.3811     589 -82.1223     590 -82.1447
     591 -82.5978     592 -82.3352     593 -82.4886     594 -82.7650     595 -82.7285
     596 -82.5861     597 -82.5736     598 -82.4503     599 -82.4022     600 -82.6379
     601 -82.0614     602 -81.9250     603 -82.8738     604 -82.4766     605 -82.5755
     606 -83.1331     607 -82.6357     608 -82.3575     609 -82.7798     610 -82.4691
     611 -82.4325     612 -82.2856     613 -82.3570     614 -82.2319     615 -82.5624
     616 -82.5423     617 -82.4091     618 -83.1422     619 -82.9049     620 -82.7209
     621 -82.3163     622 -82.4624     623 -82.3020     624 -82.5265     625 -82.0562
     626 -82.4138     627 -82.3522     628 -82.6501     629 -82.2816     630 -82.8422
     631 -81.6013     632 -82.4571     633 -82.5969     634 -82.7109     635 -82.6444
     636 -82.3257     637 -82.2046     638 -82.1308     639 -82.1824     640 -82.3929
     641 -82.2983     642 -82.6303     643 -82.4368     644 -82.3363     645 -82.3591
     646 -82.6597     647 -82.4552     648 -82.3138     649 -82.3294     650 -82.2850
 
 
 
 E-fermi :  -1.3162     XC(G=0):  -6.3845     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.7917      2.00000
      2     -29.3942      2.00000
      3     -29.1998      2.00000
      4     -29.1256      2.00000
      5     -29.1167      2.00000
      6     -29.1054      2.00000
      7     -29.0869      2.00000
      8     -29.0241      2.00000
      9     -29.0051      2.00000
     10     -28.9885      2.00000
     11     -28.9688      2.00000
     12     -28.9590      2.00000
     13     -28.9395      2.00000
     14     -28.9164      2.00000
     15     -28.9101      2.00000
     16     -28.8105      2.00000
     17     -28.7942      2.00000
     18     -28.6834      2.00000
     19     -28.6427      2.00000
     20     -28.6277      2.00000
     21     -28.6188      2.00000
     22     -28.5144      2.00000
     23     -28.4584      2.00000
     24     -28.3970      2.00000
     25     -27.4984      2.00000
     26     -27.3576      2.00000
     27     -26.9677      2.00000
     28     -26.9238      2.00000
     29     -26.8868      2.00000
     30     -26.8779      2.00000
     31     -26.8421      2.00000
     32     -26.7990      2.00000
     33     -26.7360      2.00000
     34     -26.7186      2.00000
     35     -26.7093      2.00000
     36     -26.6993      2.00000
     37     -26.6966      2.00000
     38     -26.6740      2.00000
     39     -26.6694      2.00000
     40     -26.6543      2.00000
     41     -26.6438      2.00000
     42     -26.6292      2.00000
     43     -26.6137      2.00000
     44     -26.6040      2.00000
     45     -26.5969      2.00000
     46     -26.5914      2.00000
     47     -26.5756      2.00000
     48     -26.5719      2.00000
     49     -26.5464      2.00000
     50     -26.5125      2.00000
     51     -26.5073      2.00000
     52     -26.4917      2.00000
     53     -26.4750      2.00000
     54     -26.4744      2.00000
     55     -26.4688      2.00000
     56     -26.4679      2.00000
     57     -26.4436      2.00000
     58     -26.4360      2.00000
     59     -26.4345      2.00000
     60     -26.4026      2.00000
     61     -26.3711      2.00000
     62     -26.3276      2.00000
     63     -26.3175      2.00000
     64     -26.3084      2.00000
     65     -26.2881      2.00000
     66     -26.2795      2.00000
     67     -26.2730      2.00000
     68     -26.2458      2.00000
     69     -26.0526      2.00000
     70     -25.9948      2.00000
     71     -25.8143      2.00000
     72     -25.5889      2.00000
     73     -23.5429      2.00000
     74     -23.5413      2.00000
     75     -23.5075      2.00000
     76     -23.4597      2.00000
     77     -23.4511      2.00000
     78     -23.3097      2.00000
     79     -23.2912      2.00000
     80     -23.1579      2.00000
     81     -23.1554      2.00000
     82     -23.1409      2.00000
     83     -23.1287      2.00000
     84     -23.0992      2.00000
     85     -23.0877      2.00000
     86     -23.0641      2.00000
     87     -23.0567      2.00000
     88     -23.0436      2.00000
     89     -23.0366      2.00000
     90     -22.9646      2.00000
     91     -22.9002      2.00000
     92     -22.8547      2.00000
     93     -22.8407      2.00000
     94     -22.8059      2.00000
     95     -22.7949      2.00000
     96     -22.7843      2.00000
     97     -22.7100      2.00000
     98     -22.6948      2.00000
     99     -22.6435      2.00000
    100     -22.6236      2.00000
    101     -22.6063      2.00000
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   1245      -1.5026      2.03313
   1246      -1.4737      1.97352
   1247      -1.4657      1.95084
   1248      -1.4544      1.91358
   1249      -1.4170      1.74485
   1250       0.0570     -0.00000
   1251       0.0677     -0.00000
   1252       0.1200     -0.00000
   1253       0.1521     -0.00000
   1254       0.2204     -0.00000
   1255       0.2307     -0.00000
   1256       0.2404     -0.00000
   1257       0.3207     -0.00000
   1258       0.3380     -0.00000
   1259       0.3852     -0.00000
   1260       0.4159     -0.00000
   1261       0.4234     -0.00000
   1262       0.5923     -0.00000
   1263       0.6595     -0.00000
   1264       0.6737     -0.00000
   1265       0.6794     -0.00000
   1266       0.7046     -0.00000
   1267       0.7532     -0.00000
   1268       0.7700     -0.00000
   1269       0.7715     -0.00000
   1270       0.7805     -0.00000
   1271       0.7954     -0.00000
   1272       0.8386     -0.00000
   1273       0.8561     -0.00000
   1274       0.8720     -0.00000
   1275       0.8913     -0.00000
   1276       0.9094     -0.00000
   1277       0.9328     -0.00000
   1278       0.9559     -0.00000
   1279       0.9919     -0.00000
   1280       1.0782     -0.00000
   1281       1.1060     -0.00000
   1282       1.1244     -0.00000
   1283       1.1411     -0.00000
   1284       1.1465     -0.00000
   1285       1.1977     -0.00000
   1286       1.2222     -0.00000
   1287       1.2572     -0.00000
   1288       1.3334     -0.00000
   1289       1.3410     -0.00000
   1290       1.3611     -0.00000
   1291       1.4732     -0.00000
   1292       1.5155     -0.00000
   1293       1.5348     -0.00000
   1294       1.5696     -0.00000
   1295       1.6358     -0.00000
   1296       1.6603     -0.00000
   1297       1.6712     -0.00000
   1298       1.7464     -0.00000
   1299       1.8185     -0.00000
   1300       1.8957     -0.00000
   1301       1.9097     -0.00000
   1302       1.9287     -0.00000
   1303       1.9508     -0.00000
   1304       1.9664     -0.00000
   1305       2.0214     -0.00000
   1306       2.0345     -0.00000
   1307       2.0429     -0.00000
   1308       2.0681     -0.00000
   1309       2.0959     -0.00000
   1310       2.1210     -0.00000
   1311       2.1346     -0.00000
   1312       2.1527     -0.00000
   1313       2.1922     -0.00000
   1314       2.2157     -0.00000
   1315       2.2386     -0.00000
   1316       2.2488     -0.00000
   1317       2.2556     -0.00000
   1318       2.2767     -0.00000
   1319       2.3163     -0.00000
   1320       2.3452     -0.00000
   1321       2.3804     -0.00000
   1322       2.3986     -0.00000
   1323       2.4267     -0.00000
   1324       2.4585     -0.00000
   1325       2.4625     -0.00000
   1326       2.5008     -0.00000
   1327       2.5436     -0.00000
   1328       2.5484     -0.00000
   1329       2.5524     -0.00000
   1330       2.5605     -0.00000
   1331       2.5801     -0.00000
   1332       2.5928     -0.00000
   1333       2.6107     -0.00000
   1334       2.6365     -0.00000
   1335       2.6707     -0.00000
   1336       2.6767     -0.00000
   1337       2.6913     -0.00000
   1338       2.7110     -0.00000
   1339       2.7302     -0.00000
   1340       2.7618     -0.00000
   1341       2.7638     -0.00000
   1342       2.7814     -0.00000
   1343       2.8111     -0.00000
   1344       2.8158     -0.00000
   1345       2.8840     -0.00000
   1346       2.9002     -0.00000
   1347       2.9781     -0.00000
   1348       3.0279     -0.00000
   1349       3.0523     -0.00000
   1350       3.0708     -0.00000
   1351       3.0822     -0.00000
   1352       3.1435     -0.00000
   1353       3.1525     -0.00000
   1354       3.1639     -0.00000
   1355       3.1776     -0.00000
   1356       3.2047     -0.00000
   1357       3.2181     -0.00000
   1358       3.2325     -0.00000
   1359       3.2601     -0.00000
   1360       3.3046     -0.00000
   1361       3.3333     -0.00000
   1362       3.4042     -0.00000
   1363       3.4580     -0.00000
   1364       3.5150     -0.00000
   1365       3.6108     -0.00000
   1366       3.6537     -0.00000
   1367       3.6731     -0.00000
   1368       3.7198     -0.00000
   1369       3.7480     -0.00000
   1370       3.7755     -0.00000
   1371       3.7851     -0.00000
   1372       3.8036     -0.00000
   1373       3.8336     -0.00000
   1374       3.8671     -0.00000
   1375       3.8729     -0.00000
   1376       3.8979     -0.00000
   1377       3.9132     -0.00000
   1378       3.9163     -0.00000
   1379       3.9415     -0.00000
   1380       3.9571     -0.00000
   1381       3.9850     -0.00000
   1382       3.9943     -0.00000
   1383       4.0141      0.00000
   1384       4.0498      0.00000
   1385       4.0608      0.00000
   1386       4.0761      0.00000
   1387       4.0869      0.00000
   1388       4.1082      0.00000
   1389       4.1122      0.00000
   1390       4.1239      0.00000
   1391       4.1320      0.00000
   1392       4.1379      0.00000
   1393       4.1473      0.00000
   1394       4.1625      0.00000
   1395       4.1684      0.00000
   1396       4.1849      0.00000
   1397       4.1990      0.00000
   1398       4.2087      0.00000
   1399       4.2234      0.00000
   1400       4.2274      0.00000
   1401       4.2331      0.00000
   1402       4.2396      0.00000
   1403       4.2603      0.00000
   1404       4.2855      0.00000
   1405       4.2958      0.00000
   1406       4.3114      0.00000
   1407       4.3200      0.00000
   1408       4.3312      0.00000
   1409       4.3372      0.00000
   1410       4.3512      0.00000
   1411       4.3641      0.00000
   1412       4.3868      0.00000
   1413       4.3964      0.00000
   1414       4.4015      0.00000
   1415       4.4211      0.00000
   1416       4.4470      0.00000
   1417       4.4689      0.00000
   1418       4.4899      0.00000
   1419       4.4978      0.00000
   1420       4.5048      0.00000
   1421       4.5247      0.00000
   1422       4.5328      0.00000
   1423       4.5445      0.00000
   1424       4.5639      0.00000
   1425       4.5768      0.00000
   1426       4.5930      0.00000
   1427       4.6005      0.00000
   1428       4.6138      0.00000
   1429       4.6213      0.00000
   1430       4.6493      0.00000
   1431       4.6578      0.00000
   1432       4.6879      0.00000
   1433       4.7001      0.00000
   1434       4.7117      0.00000
   1435       4.7226      0.00000
   1436       4.7488      0.00000
   1437       4.7842      0.00000
   1438       4.8067      0.00000
   1439       4.8263      0.00000
   1440       4.8322      0.00000
   1441       4.8505      0.00000
   1442       4.8848      0.00000
   1443       4.9001      0.00000
   1444       4.9229      0.00000
   1445       4.9270      0.00000
   1446       4.9407      0.00000
   1447       4.9624      0.00000
   1448       4.9667      0.00000
   1449       4.9837      0.00000
   1450       4.9943      0.00000
   1451       5.0241      0.00000
   1452       5.0253      0.00000
   1453       5.0541      0.00000
   1454       5.0671      0.00000
   1455       5.0831      0.00000
   1456       5.0982      0.00000
   1457       5.1034      0.00000
   1458       5.1123      0.00000
   1459       5.1246      0.00000
   1460       5.1401      0.00000
   1461       5.1445      0.00000
   1462       5.1666      0.00000
   1463       5.1775      0.00000
   1464       5.2041      0.00000
   1465       5.2186      0.00000
   1466       5.2261      0.00000
   1467       5.2355      0.00000
   1468       5.2530      0.00000
   1469       5.2547      0.00000
   1470       5.2711      0.00000
   1471       5.2925      0.00000
   1472       5.3003      0.00000
   1473       5.3082      0.00000
   1474       5.3226      0.00000
   1475       5.3324      0.00000
   1476       5.3426      0.00000
   1477       5.3559      0.00000
   1478       5.3699      0.00000
   1479       5.3730      0.00000
   1480       5.3897      0.00000
   1481       5.4045      0.00000
   1482       5.4129      0.00000
   1483       5.4242      0.00000
   1484       5.4302      0.00000
   1485       5.4391      0.00000
   1486       5.4471      0.00000
   1487       5.4521      0.00000
   1488       5.4675      0.00000
   1489       5.4750      0.00000
   1490       5.4797      0.00000
   1491       5.4887      0.00000
   1492       5.5030      0.00000
   1493       5.5201      0.00000
   1494       5.5260      0.00000
   1495       5.5286      0.00000
   1496       5.5311      0.00000
   1497       5.5454      0.00000
   1498       5.5565      0.00000
   1499       5.5707      0.00000
   1500       5.5794      0.00000
   1501       5.5964      0.00000
   1502       5.6092      0.00000
   1503       5.6153      0.00000
   1504       5.6315      0.00000
   1505       5.6433      0.00000
   1506       5.6555      0.00000
   1507       5.6616      0.00000
   1508       5.6720      0.00000
   1509       5.6848      0.00000
   1510       5.6937      0.00000
   1511       5.7031      0.00000
   1512       5.7102      0.00000
   1513       5.7224      0.00000
   1514       5.7353      0.00000
   1515       5.7449      0.00000
   1516       5.7567      0.00000
   1517       5.7574      0.00000
   1518       5.7803      0.00000
   1519       5.7850      0.00000
   1520       5.7979      0.00000
   1521       5.8046      0.00000
   1522       5.8234      0.00000
   1523       5.8321      0.00000
   1524       5.8347      0.00000
   1525       5.8435      0.00000
   1526       5.8484      0.00000
   1527       5.8533      0.00000
   1528       5.8657      0.00000
   1529       5.8721      0.00000
   1530       5.8876      0.00000
   1531       5.8933      0.00000
   1532       5.8987      0.00000
   1533       5.9087      0.00000
   1534       5.9133      0.00000
   1535       5.9354      0.00000
   1536       5.9472      0.00000
   1537       5.9555      0.00000
   1538       5.9583      0.00000
   1539       5.9664      0.00000
   1540       5.9879      0.00000
   1541       5.9980      0.00000
   1542       6.0008      0.00000
   1543       6.0080      0.00000
   1544       6.0226      0.00000
   1545       6.0248      0.00000
   1546       6.0396      0.00000
   1547       6.0536      0.00000
   1548       6.0646      0.00000
   1549       6.0707      0.00000
   1550       6.0804      0.00000
   1551       6.0898      0.00000
   1552       6.0951      0.00000
   1553       6.0970      0.00000
   1554       6.1182      0.00000
   1555       6.1274      0.00000
   1556       6.1324      0.00000
   1557       6.1389      0.00000
   1558       6.1524      0.00000
   1559       6.1611      0.00000
   1560       6.1643      0.00000
   1561       6.1697      0.00000
   1562       6.1776      0.00000
   1563       6.1935      0.00000
   1564       6.1972      0.00000
   1565       6.2026      0.00000
   1566       6.2162      0.00000
   1567       6.2252      0.00000
   1568       6.2323      0.00000
   1569       6.2412      0.00000
   1570       6.2443      0.00000
   1571       6.2496      0.00000
   1572       6.2687      0.00000
   1573       6.2742      0.00000
   1574       6.2810      0.00000
   1575       6.2928      0.00000
   1576       6.3254      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.084  13.407  -0.001   0.001  -0.000   0.001  -0.005   0.000
 13.407  17.824  -0.001   0.002  -0.000   0.002  -0.006   0.001
 -0.001  -0.001  -4.228   0.002   0.000   8.268  -0.004  -0.000
  0.001   0.002   0.002  -4.228   0.001  -0.004   8.268  -0.001
 -0.000  -0.000   0.000   0.001  -4.220  -0.000  -0.001   8.258
  0.001   0.002   8.268  -0.004  -0.000 -18.299   0.006   0.000
 -0.005  -0.006  -0.004   8.268  -0.001   0.006 -18.297   0.001
  0.000   0.001  -0.000  -0.001   8.258   0.000   0.001 -18.289
 total augmentation occupancy for first ion, spin component:           1
  8.609  -3.897   0.184   0.143  -0.037   0.023   0.027  -0.006
 -3.897   1.837  -0.093  -0.096   0.019  -0.010  -0.016   0.003
  0.184  -0.093   1.794  -0.055  -0.013   0.170  -0.010  -0.003
  0.143  -0.096  -0.055   1.931  -0.074  -0.010   0.182  -0.010
 -0.037   0.019  -0.013  -0.074   1.226  -0.003  -0.010   0.081
  0.023  -0.010   0.170  -0.010  -0.003   0.018  -0.001  -0.000
  0.027  -0.016  -0.010   0.182  -0.010  -0.001   0.019  -0.001
 -0.006   0.003  -0.003  -0.010   0.081  -0.000  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -56589.64480114643.03428 38112.34036-12755.44516  6656.64469 27707.26638
  Hartree -1314.16939141678.65207 76287.47841-13162.08160  4495.14609 22114.62250
  E(xc)  -10746.26449-10607.11191-10647.94758     2.74768     8.60709    29.86014
  Local   24520.03095************************ 25915.82245-11165.07122-49261.45080
  n-local -5867.68788 -5976.08820 -6044.08994     6.03803    16.08918   -53.87639
  augment  1488.98677  1536.57253  1484.52041     3.77158    12.21332    -2.91691
  Kinetic 45651.58155 43254.23065 43854.16350   -44.99409  -117.66625  -548.56393
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       50.6914208   -422.9950894     -0.9209216    -34.1411031    -94.0370934    -15.0589985
  in kB        8.4532002    -70.5378170     -0.1535710     -5.6933022    -15.6814380     -2.5112085
  external PRESSURE =     -20.7460626 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.300E+03 -.120E+03 0.254E+03   0.300E+03 0.120E+03 -.255E+03   0.832E-01 -.751E+00 0.134E+01   -.165E-03 -.110E-04 0.273E-04
   -.264E+03 -.143E+03 0.430E+02   0.264E+03 0.144E+03 -.423E+02   -.651E-01 -.136E+01 -.201E+00   -.124E-03 -.135E-04 0.213E-04
   -.223E+03 -.138E+03 0.262E+00   0.223E+03 0.140E+03 0.162E+01   0.257E+00 -.118E+01 -.143E+01   -.125E-03 -.115E-04 0.188E-04
   -.270E+03 -.110E+03 0.361E+03   0.270E+03 0.110E+03 -.364E+03   0.105E+00 -.193E-01 0.231E+01   -.221E-03 -.610E-05 0.139E-04
   -.225E+03 -.159E+03 0.319E+03   0.225E+03 0.160E+03 -.320E+03   0.215E+00 -.568E+00 0.714E+00   -.224E-03 -.179E-04 0.219E-04
   -.197E+03 -.124E+03 0.176E+03   0.197E+03 0.123E+03 -.176E+03   0.125E+00 -.380E+00 0.152E+00   -.163E-03 -.127E-04 0.218E-04
   -.323E+03 -.142E+03 0.188E+03   0.323E+03 0.146E+03 -.189E+03   0.126E+00 -.469E+01 0.871E+00   -.161E-03 0.146E-04 0.695E-04
   -.251E+03 -.122E+03 0.151E+02   0.252E+03 0.126E+03 -.177E+02   -.783E+00 -.413E+01 0.199E+01   -.867E-04 -.670E-05 -.425E-05
   -.141E+03 0.503E+01 0.208E+03   0.141E+03 -.489E+01 -.208E+03   0.134E+00 0.301E+00 0.352E+00   -.153E-03 -.281E-05 0.360E-04
   -.122E+03 0.943E+02 0.708E+02   0.121E+03 -.960E+02 -.696E+02   0.290E+00 0.137E+01 -.943E+00   -.108E-03 0.989E-05 0.138E-04
   -.134E+03 0.129E+03 0.137E+03   0.134E+03 -.130E+03 -.137E+03   0.356E+00 0.120E+01 0.190E+00   -.945E-04 0.363E-04 0.172E-04
   -.149E+03 0.783E+01 0.347E+03   0.149E+03 -.827E+01 -.349E+03   -.261E+00 0.224E+00 0.886E+00   -.210E-03 -.299E-05 0.873E-04
   -.148E+03 -.265E+02 0.385E+03   0.148E+03 0.277E+02 -.387E+03   0.997E-02 -.978E+00 0.201E+01   -.204E-03 0.171E-04 0.127E-03
   -.154E+03 0.443E+02 0.323E+03   0.154E+03 -.442E+02 -.324E+03   0.266E+00 0.729E-02 0.147E+01   -.122E-03 0.735E-04 0.718E-04
   -.175E+03 0.121E+03 0.299E+03   0.174E+03 -.123E+03 -.303E+03   0.424E+00 0.410E+01 0.229E+01   -.964E-04 0.953E-04 0.358E-04
   -.145E+03 0.152E+03 0.106E+03   0.144E+03 -.156E+03 -.109E+03   0.460E+00 0.334E+01 0.345E+01   -.734E-04 0.476E-04 -.299E-04
   -.145E+03 0.132E+03 0.626E+02   0.146E+03 -.127E+03 -.588E+02   -.579E+00 -.503E+01 -.398E+01   -.576E-04 0.294E-04 -.442E-04
   -.711E+02 0.219E+03 -.164E+03   0.705E+02 -.221E+03 0.165E+03   0.550E+00 0.185E+01 -.161E+01   -.741E-04 0.435E-04 -.306E-04
   -.386E+02 0.156E+03 -.211E+03   0.380E+02 -.156E+03 0.213E+03   0.861E+00 0.281E+00 -.193E+01   -.769E-04 0.418E-04 0.138E-04
   -.133E+03 0.133E+03 0.189E+03   0.134E+03 -.133E+03 -.192E+03   -.111E+01 -.111E+01 0.310E+01   -.508E-04 0.180E-04 -.379E-04
   -.679E+02 0.982E+02 -.105E+01   0.665E+02 -.100E+03 0.231E+01   0.130E+01 0.163E+01 -.864E+00   -.371E-04 0.183E-04 -.263E-04
   -.651E+02 0.327E+02 -.159E+03   0.653E+02 -.333E+02 0.160E+03   -.277E+00 0.444E-01 -.497E+00   -.532E-04 0.287E-04 0.154E-04
   -.855E+02 -.281E+02 -.208E+03   0.858E+02 0.284E+02 0.208E+03   -.193E+00 -.235E+00 0.621E+00   -.546E-04 0.218E-04 0.542E-04
   -.586E+02 -.831E+02 -.275E+03   0.597E+02 0.852E+02 0.274E+03   -.635E+00 -.174E+01 0.104E+01   -.792E-04 0.237E-04 0.942E-04
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 -----------------------------------------------------------------------------------------------
   -.873E+01 -.334E+01 -.126E+02   -.838E-11 0.188E-11 0.557E-11   0.873E+01 0.333E+01 0.126E+02   0.452E-02 0.349E-02 0.203E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.80427      3.17060      1.41950         0.317997     -0.367156     -0.342922
     12.64135      3.61055      2.71920         0.056183     -0.465278      0.422879
     12.60891      4.97735      3.02317         0.061030      0.434616      0.451510
     12.87337      4.07653      0.37559         0.235019     -0.221954     -0.318821
     12.88094      5.43039      0.68868         0.131950      0.376077     -0.380390
     12.77637      5.95826      1.99591         0.002223     -0.659826      0.076543
     12.85804      1.68765      1.38634         0.417429     -0.685876     -0.683847
     12.43749      2.36109      3.57391         0.115311      0.076668     -0.595386
     12.86976      7.43767      2.22157         0.177525      0.446557      0.271693
     12.79801      8.05726      3.50034         0.053018     -0.391578      0.206901
     13.08594      9.41572      3.64953         0.150312      0.214568      0.464090
     13.14011      8.32867      1.15306         0.040129     -0.209507     -0.472034
     13.32600      9.70440      1.29484         0.288676      0.167676     -0.674158
     13.32251     10.24150      2.56785         0.376648      0.089751     -0.172364
     13.57940     11.62255      3.03628         0.082278      1.979188     -1.174128
     13.22265     10.27687      4.87979         0.087465     -0.130665      0.251142
     13.62933     12.79461      5.30469         0.023791     -0.521235     -0.183622
     13.28257     12.70661      6.64744         0.010656      0.013868      0.283687
     13.32345     13.82191      7.46045         0.228387      0.349687      0.648007
     13.92922     14.09949      4.85451        -0.020391     -0.504153     -0.191096
     13.94990     15.22362      5.69596        -0.039809     -0.414966      0.399164
     13.68285     15.13921      7.09023        -0.147595     -0.519028      0.641500
     13.71640     16.25523      8.13311         0.145838      0.074400      0.008125
     13.19239     16.19162      9.47763         0.486828      0.354361     -0.185634
     13.35532     17.27484     10.35676        -0.029483      0.035629      0.200027
     14.27147     17.52534      7.83487         0.105282     -0.178596      0.041383
     14.34715     18.61381      8.68734         0.118989      0.101597     -0.004584
     13.92577     18.49862      9.99587        -0.106960     -0.141730      0.284661
     12.49277     15.00567     10.07683         0.235415      0.027837      0.242190
     14.41290     16.48742      5.07677         0.038900     -0.025093     -0.822441
      9.67930      3.85285      4.81400        -0.012100     -0.232745     -0.027687
      9.85139      4.79559      3.82393        -0.139908     -0.160038     -0.635574
      9.99990      6.14026      4.13675        -0.042810      0.538378     -0.139434
      9.61141      4.22149      6.13309         0.065305     -0.201634      0.354457
      9.70532      5.56744      6.45378        -0.003115     -0.125274      0.405219
      9.92866      6.56933      5.49080        -0.053186     -0.329248     -0.363728
      9.56567      2.51002      4.23440        -0.386831     -1.373027      0.624790
      9.87411      4.05652      2.51501        -0.035875     -0.039118     -0.515452
     10.04912      7.99059      5.87946         0.108625      0.596231     -0.209541
     10.30175      8.98671      4.90409        -0.086025      0.072574     -0.170697
     10.34911     10.32296      5.27742         0.007540      0.295225     -0.910962
      9.90646      8.44612      7.20927        -0.100665     -0.338873      0.300426
     10.02372      9.78785      7.57879        -0.202508     -0.092929      0.654023
     10.23894     10.72367      6.59078        -0.106693      0.496604      0.030720
     10.38208     12.19464      6.66181        -0.096540      0.904149      0.947916
     10.59633     11.55625      4.42677        -0.076105     -0.360539      2.483431
     10.92456     14.04545      4.98499        -0.198284      0.172237      0.287456
     11.39420     14.39534      3.71842        -0.002451     -0.006981     -0.236009
     11.71798     15.71444      3.43355         0.560232      0.271648     -0.029005
     10.87909     15.12234      5.91105        -0.032294     -0.138181     -0.062711
     11.15036     16.47875      5.59086        -0.136389     -0.360302     -0.199968
     11.59380     16.84806      4.27386        -0.133041     -0.134296     -0.376864
     12.01992     18.23659      3.77410         0.056090      0.017130     -0.183704
     12.49884     18.58478      2.45064         0.144010      0.384975      0.510942
     12.65685     19.95792      2.14379        -0.068721      0.577308     -0.066521
     11.90431     19.35868      4.62247         0.012730     -0.279039      0.204930
     12.08013     20.70356      4.33583         0.117356     -0.121894      0.171138
     12.47122     21.05973      3.05223         0.017218     -0.062887     -0.322681
     12.79539     17.61195      1.27074         0.014979     -0.387122     -0.158324
     10.88465     17.46193      6.72946        -0.073538     -0.418184     -0.029378
     10.13267      7.17787     14.59679         0.120116     -1.243315     -0.422822
     10.03310      7.61333     15.90259        -0.183259     -0.732750      0.596701
     10.00773      8.96714     16.20806         0.193469      1.062859      0.547658
     10.17694      8.08588     13.55826         0.120874      0.284185     -0.257185
     10.20310      9.45721     13.88030         0.185670     -0.060470     -0.664255
     10.14991      9.97432     15.18671         0.109576     -0.759804      0.636459
     10.04006      5.64603     14.55304         0.004498      2.968969      3.140749
      9.74950      6.38494     16.77417         0.261557     -0.057124     -0.281929
     10.23775     11.45475     15.48026         0.148354      0.341724      0.334355
     10.16728     12.02524     16.78913         0.054184     -0.497926      0.198459
     10.35572     13.39890     16.99303         0.207648      0.169517      0.353739
     10.45605     12.39380     14.44264         0.127099     -0.102778     -0.482580
     10.60223     13.76884     14.63963         0.257184      0.176554     -0.554253
     10.55897     14.26196     15.93237         0.348190      0.119987     -0.224642
     10.69542     15.65073     16.41850         0.084307      1.640296     -0.515541
     10.34257     14.25616     18.23700         0.105709      0.302367      0.685065
     10.51839     16.84123     18.66490         0.226887      0.184221     -0.154458
     10.15592     16.77897     20.00122         0.021949      0.075424      0.302553
      9.99971     17.94422     20.74543         0.007764      0.279913      0.433352
     10.74010     18.18491     18.20454         0.302373     -0.472152     -0.154348
     10.71199     19.34348     19.01246         0.004571     -0.669074      0.539073
     10.30503     19.28570     20.39912        -0.046076     -0.474181      0.093145
     10.16854     20.43082      0.16093         0.275145      0.269470     -0.181153
      9.73082     20.34237      1.52914        -0.230950      0.162437     -0.318253
      9.64163      0.20545      2.36564         0.037171      0.099090     -0.245035
     10.51599      0.52066     21.12043         0.331703     -0.341694     -0.413796
     10.27387      1.66108      0.61401        -0.184125      0.040845     -0.129464
      9.82900      1.53243      1.92848        -0.072084      0.358323      0.157515
      9.31077     19.07610      2.21838         0.478651     -0.252750      0.048562
     11.07633     20.64420     18.37456         0.387650      0.135749     -0.301842
      7.04775      7.62769     17.53907         0.052903      0.051187      0.056090
      7.18980      8.58349     16.54994        -0.085371     -0.077688     -0.547265
      7.39194      9.92775     16.86418        -0.129910      0.556615     -0.196180
      7.07138      7.99990     18.87303         0.106493     -0.293305      0.164611
      7.12413      9.35511     19.17735        -0.012813      0.152148      0.411119
      7.28971     10.37786     18.20956        -0.013663     -0.411218     -0.493392
      6.88869      6.29693     16.92897        -0.280181     -1.351764      0.170498
      7.17641      7.86429     15.21531         0.184059     -0.642158      0.650338
      7.32223     11.82152     18.58930         0.032166      0.628039     -0.166486
      7.54789     12.89917     17.67872        -0.128472     -0.228548     -0.416065
      7.48951     14.22482     18.11161        -0.101305      0.552369     -0.586378
      7.08730     12.21763     19.91530        -0.069235     -0.218114      0.372011
      7.07109     13.54310     20.35011        -0.016135      0.017352      0.390085
      7.25994     14.55513     19.43703        -0.126829      0.390631      0.002486
      7.29487     16.03636     19.61533        -0.200656      0.399256      0.624790
      7.71908     15.53197     17.36442        -0.361343     -0.515867      1.678901
      7.75689     18.01117     18.06740        -0.307196      0.260166      0.231281
      8.37555     18.43676     16.89055        -0.103179     -0.283120     -0.040039
      8.65992     19.77492     16.68061         0.347164      0.375035      0.246764
      7.46770     19.06950     18.98390        -0.210656     -0.366661      0.182398
      7.61040     20.44545     18.67820         0.033247     -0.184442     -0.654992
      8.22552     20.88228     17.44778        -0.267684     -0.138313     -0.116507
      8.58850      1.05376     17.00259         0.101042     -0.207262     -0.188830
      9.01911      1.35967     15.67551         0.470271      0.592133      0.271132
      9.37096      2.72927     15.35710         0.158546      0.029985     -0.184128
      8.61537      2.18451     17.87539         0.187386     -0.443428      0.358241
      8.96733      3.49311     17.57261         0.123405      0.197277      0.005653
      9.38471      3.83094     16.27503         0.150790     -0.218409     -0.364783
      9.27308      0.32190     14.52293         0.187834     -0.629757      0.665725
      7.14544      0.17110     19.72833        -0.541269     -0.465360     -0.046839
      7.01431     10.85895      6.11831        -0.099438     -0.314172     -0.146517
      6.83372     11.34350      7.40500        -0.189062     -0.516915      0.396682
      6.95782     12.69577      7.71488        -0.101879      0.327198      0.357673
      7.36060     11.72312      5.09591        -0.077728     -0.217918     -0.301778
      7.48896     13.07647      5.40638        -0.015631      0.223242     -0.361061
      7.28020     13.63257      6.69009        -0.201622     -0.469201      0.228358
      6.87811      9.37524      6.11710         0.290675     -0.438901     -0.944306
      6.57328     10.14063      8.28629         0.119336      0.158979      0.565747
      7.38444     15.10552      6.92149        -0.144841      0.457398      0.315657
      7.12365     15.74760      8.16668        -0.183762     -0.528145      0.199151
      7.24655     17.13404      8.28157        -0.163901      0.446322      0.453254
      7.74532     15.97470      5.86894        -0.068346     -0.084417     -0.454422
      7.79782     17.35853      5.96948        -0.090445      0.361401     -0.305783
      7.55835     17.94558      7.20187        -0.114962      0.254646     -0.100464
      7.72084     19.36613      7.65170         0.214896      0.842794     -0.344633
      7.15451     18.03586      9.47926        -0.037329     -0.300412      1.519032
      7.49509     20.57698      9.88988         0.245539      0.325495     -0.070889
      7.04599     20.54800     11.21208         0.125427     -0.123125      0.073716
      6.90230      0.43941     11.97301        -0.325936      0.337839      0.190627
      7.86888      0.63426      9.47481         0.178704     -0.404256      0.003993
      7.89757      1.75901     10.35863        -0.077831     -0.652176      0.456526
      7.39511      1.74170     11.70350         0.023169     -0.285790      0.140500
      7.35442      2.90653     12.76216         0.107340      0.303628     -0.063420
      6.87009      2.91839     14.11175        -0.257260     -1.040102      0.291796
      6.77079      4.01619     14.96722         0.126717     -0.177160      0.067060
      7.79610      4.21913     12.51880         0.122408      0.422055     -0.147359
      7.61810      5.38242     13.30387         0.341905     -0.170818     -0.351163
      7.09499      5.32107     14.59642         0.285755      0.896376     -0.181143
      6.22358      1.71227     14.74191         1.554631      0.020975     -2.024894
      8.47845      2.99998      9.80966         0.722285     -0.356412     -0.701603
      4.02575     11.51341     10.77580         0.118489     -0.316787      0.046414
      3.75516     12.40023      9.74489        -0.082242     -0.324125     -0.535886
      3.82226     13.77216      9.92689        -0.006667      0.423879     -0.204706
      4.36819     11.98477     12.02909         0.108920     -0.468234      0.295041
      4.42234     13.35993     12.22187         0.122203      0.155615      0.258854
      4.16737     14.29840     11.19982        -0.044210     -0.097383     -0.324694
      3.86702     10.12188     10.29422        -0.014890     -0.940671      0.246041
      3.39208     11.58592      8.53647        -0.262486     -0.036071     -0.940661
      4.26924     15.76728     11.43401        -0.021572      0.431026     -0.472132
      4.09803     16.71063     10.37120         0.050803      0.099925     -0.052238
      4.17808     18.08454     10.63440        -0.071291      0.090547     -0.574283
      4.58731     16.29426     12.70500         0.129348     -0.073880      0.162319
      4.74928     17.65667     12.93164         0.107804      0.027276      0.355137
      4.47832     18.53980     11.90923        -0.327495      0.206765     -0.372054
      4.45518     19.99295     11.90659         0.173310      2.910374      3.581371
      4.21002     19.30306      9.71311         0.071292     -0.336177      0.647223
      4.55818      0.61609     10.14031        -0.280245      0.251681      0.596013
      4.87238      0.93984      8.82037        -0.013467     -0.075427     -0.107355
      5.21587      2.24871      8.47823         0.077081      0.395294     -0.319008
      4.53585      1.76118     11.00106        -0.138499     -0.390897     -0.117741
      4.81962      3.11292     10.63364        -0.217818     -0.181520     -0.450631
      5.30121      3.40804      9.30630         0.005230     -0.088829     -0.549878
      5.84538      4.80084      8.71484         0.298946     -0.112122      0.097354
      6.29370      5.09805      7.36668         0.370058      0.255352      0.834762
      6.56260      6.44602      7.01220         0.219486      0.414810      0.023418
      5.84121      5.96444      9.51044        -0.094196     -0.240469      0.308333
      6.11886      7.27881      9.17424        -0.070933      0.311162      0.045102
      6.45927      7.59352      7.86283        -0.046539     -0.510749     -0.213432
      6.40274      4.02085      6.27564         0.090768      0.093428     -0.094741
      4.64029      4.13255     11.77236        -0.252569     -0.856159      0.425688
      1.25162     14.36438      0.72210        -0.525919     -0.610210     -0.386800
      1.79731     14.77320      1.92331        -0.060903     -0.341813      0.344404
      1.71947     16.13483      2.26685         0.079099      0.729354      0.580444
      0.77303     15.25847     21.03017        -0.363644     -0.747559     -0.005958
      0.78661     16.59054      0.09232        -0.118402      0.684492     -0.376960
      1.18453     17.11100      1.34120         0.104752     -0.647016      0.350018
      1.27709     12.89014      0.61964         0.673296      0.526110      0.681330
      2.40837     13.50160      2.55321         0.714222     -0.347150      1.797686
      1.05127     18.59978      1.54166        -0.045987      0.214701      0.602341
      1.40304     19.28659      2.74212         0.028004     -0.704443      0.218032
      1.23228     20.66355      2.82199         0.043680      0.339873      0.416035
      0.55053     19.42728      0.50279        -0.269988     -0.235107     -0.515537
      0.37910     20.80404      0.58626        -0.151032      0.156629     -0.204923
      0.71711      0.15216      1.77271        -0.198242      0.171857     -0.166839
      0.74279      1.59240      2.09518        -0.456849      0.831388     -0.609075
      1.62395      0.37851      3.89134         0.468196     -0.259367      0.942432
      1.49175      2.94175      4.07132        -0.233919     -0.079308     -0.369982
      2.04748      2.92293      5.33208        -0.181373      0.316868     -0.070194
      2.19906      4.10657      6.01984        -0.219168      0.161004      0.149156
      1.11506      4.23256      3.60805        -0.132210     -0.284071     -0.085361
      1.30900      5.42501      4.34082         0.128490     -0.740404      0.509113
      1.91984      5.44340      5.63334         0.090299     -0.245999      0.288071
      2.26756      6.67656      6.50608        -0.348146      0.051320     -0.320666
      2.81965      6.62358      7.79839        -0.379327     -0.509195     -0.120665
      3.28044      7.72154      8.53913        -0.454679      0.572524     -0.181788
      2.16344      8.03162      6.11839        -0.229086      0.360852     -0.572741
      2.58795      9.16062      6.81828         0.077294      0.472265     -0.345440
      3.15594      9.05402      8.09768        -0.100873      0.152225      0.111186
      3.02193      5.29628      8.44759        -0.163073      0.930896     -1.108626
      0.75189      6.65516      3.74406        -0.401648      0.367796     -0.706500
      4.64988     14.06964      0.72583         0.219023     -0.001033     -0.022379
      3.97299     14.98609     -0.07121         0.048763      0.034187     -0.236745
      3.96750     16.35414      0.29951        -0.123285      0.814514     -0.177615
      5.38832     14.51450      1.82228         0.207679     -0.400757     -0.039187
      5.41371     15.86992      2.13813         0.244107      0.362686      0.308216
      4.69673     16.87626      1.43536        -0.181018     -0.473099     -0.490194
      4.51115     12.70031      0.17183         0.043696     -0.889094      0.012991
      3.35494     14.16777     20.04001        -0.648857     -0.143007     -0.654297
      4.76296     18.35182      1.88548        -0.144434      0.423768     -0.203677
      4.08241     19.45780      1.26316        -0.191399     -0.595365     -0.507721
      4.22299     20.77472      1.72922        -0.027516      0.361617     -0.062308
      5.57229     18.74130      2.98850         0.140086     -0.530472      0.089575
      5.72344     20.04586      3.45840         0.188908      0.137093      0.256031
      5.02758     21.06079      2.82675         0.125557      0.165524     -0.007052
      5.03732      1.26280      3.10063         0.538652      1.046194      0.525833
      3.66043      0.85009      1.26215        -0.325530      0.539549     -0.716177
      3.85788      3.32973      2.13251         0.416955     -0.122170      0.117546
      2.99137      3.91011      1.20607         0.503900      0.009062     -0.079729
      2.74386      5.27664      1.18360        -0.555778      0.292327      0.064387
      4.32525      4.28256      3.07034         0.203451     -0.226247      0.106011
      4.09969      5.69097      2.97234        -0.172457     -0.592939     -0.763010
      3.37304      6.32975      1.95603        -0.557778      0.183581     -0.580972
      3.18083      7.99843      1.82949        -0.225079     -0.376474     -0.131502
      2.22258      8.62595      0.95889         0.789500     -0.490417      0.756772
      2.01065      9.99316      0.80675        -0.197915      0.394371      0.452232
      3.71471      9.00648      2.65907         0.105441      0.002698      0.751964
      3.34791     10.36732      2.66440         0.309222      0.676826      1.036359
      2.51668     10.97691      1.72120        -0.511689     -0.837191     -0.408720
      1.61613      7.66660      0.03691         0.334239     -0.407343     -1.053105
      4.73385      6.51014      3.99591         0.762803     -0.333551      1.259937
     18.29517     17.32272     13.36471        -0.364950     -0.334862      0.285399
     19.32343     17.82812     14.13629         0.363278     -0.281246      0.638114
     19.53866     19.19881     14.28316         0.029127      0.014133      0.110689
     17.43846     18.19098     12.71009        -0.636761     -0.036360     -0.264964
     17.62641     19.56369     12.88778        -0.306883      0.160210     -0.202003
     18.65924     20.12633     13.66920         0.246454     -0.492633      0.132961
     18.30300     15.83845     13.44878        -1.090631     -1.230901     -0.428846
     20.09005     16.65102     14.70654        -1.729798      0.037699     -1.094490
     18.79812      0.33563     13.87281         0.127254      0.612010      0.299671
     19.84383      0.92638     14.64055         0.106730     -0.267142      0.255096
     19.80379      2.28817     14.94598         0.495591      0.416938      0.738774
     17.81402      1.23650     13.41090        -0.371643      0.118740     -0.217345
     17.80570      2.61227     13.67740        -0.535528      0.099823     -0.176453
     18.81444      3.13202     14.46683        -0.115895      0.470911      0.290797
     19.00506      4.51840     15.01305        -0.250186      0.886302     -0.250549
     20.64791      3.11643     15.91528        -0.655957     -0.018166     -0.109909
     20.72088      5.61893     16.59843        -0.110764     -0.057549     -0.017522
      0.75918      5.57626     17.11426         0.691774      0.661956      0.272357
      1.44762      6.76795     17.46599        -2.044058      0.172742     -0.602583
     20.17467      6.93383     16.58837        -0.501087     -0.394159     -0.315621
     20.77250      8.06870     17.19616         0.644318     -0.225416      0.613049
      0.85927      8.05544     17.71055         0.549730     -0.755111     -0.206098
      1.72718      9.20012     18.36113        -0.774215     -0.298314     -0.335804
      3.02679      9.11012     18.97833         0.267054      0.705013     -0.075162
      3.63662     10.24491     19.59135         0.532814     -0.424394      0.843916
      1.17366     10.45457     18.58735        -0.623479      1.239756     -0.049713
      1.83108     11.62404     19.05665        -0.001459     -0.381739     -0.211450
      3.10704     11.56904     19.62769        -0.656239     -0.061992     -0.540492
      3.91101      7.88841     18.93225        -1.249210     -1.550384     -0.606951
     19.88811      9.27138     17.33760        -0.790617     -0.620182      0.026292
      2.02371     18.14700     14.13511         0.448779     -0.116330     -0.226872
      1.28504     19.11380     13.48980        -0.476639     -0.035070     -0.472421
      1.42286     20.45770     13.78328        -0.196862      0.386409      0.149028
      3.02810     18.53665     15.00790         0.528274     -0.416165      0.447343
      3.26916     19.89893     15.19822         0.136098     -0.132118      0.452647
      2.41986     20.90388     14.68003        -0.370242     -0.091153     -0.043136
      1.68981     16.83157     13.56820         0.389794     -1.659626      1.252905
      0.39270     18.43196     12.50826        -0.123980     -0.499759     -0.523979
      2.58182      1.08748     14.99276        -0.453580      0.654611     -0.250584
      1.81696      2.08956     14.32173        -0.138137     -0.447625      0.063345
      2.10236      3.42671     14.53846        -0.945879      0.738794     -0.587227
      3.55079      1.55884     15.89188         0.034213     -0.081684      0.505950
      3.80783      2.92325     16.12850         0.285856     -0.582429      0.258457
      3.07839      3.83646     15.41441         0.146342      0.770002      0.003429
      3.13279      5.31494     15.44538         1.051984      1.007914      0.831996
      1.36003      4.67850     14.08442         2.320251     -0.304241      1.466319
      1.54721      7.21431     14.69253         0.296708     -0.103317     -0.467468
      0.29108      7.51828     14.16522        -0.543575      0.323438     -0.269136
     21.06108      8.83314     14.18120        -0.339908      0.076100      0.105292
      2.19341      8.35030     15.28756        -0.067097     -0.346314     -0.185145
      1.69822      9.68195     15.26899         0.096933     -0.476078     -0.343103
      0.42055      9.99584     14.69486        -0.148780      0.023671     -0.404111
     20.94073     11.34908     14.66032        -0.024265      0.053022      0.050856
     19.60413     11.59458     14.13597         0.386517      0.680279      0.325072
     19.16608     12.93067     14.01160         0.055595      0.430713      0.155671
      0.32178     12.54935     15.05835         0.267103     -0.166022     -0.218818
     -0.14629     13.86075     15.01982         0.342730     -0.442804      0.305603
     19.86622     14.09481     14.46125        -0.259514      0.122895      0.030155
     18.61848     10.57564     13.54947        -0.594642     -0.600623     -0.072514
      2.59589     10.72395     15.89574         0.027759     -0.209451     -0.093487
     16.13805      0.42722      5.15174        -0.109175     -0.312627      0.018868
     16.96034      0.91516      6.15652         0.281111     -0.327216      0.323037
     17.04688      2.27975      6.43564         0.116486      0.409960      0.412676
     15.29064      1.28678      4.48796        -0.240874     -0.127860     -0.173792
     15.34810      2.64654      4.79808        -0.312812      0.194120     -0.206014
     16.23596      3.21933      5.72879         0.155062     -0.534732      0.247143
     16.38227     20.23325      4.94722        -0.271071     -0.618982     -0.510109
     17.69304     20.98859      6.73622        -0.192610     -0.143814      0.225776
     16.27950      4.70055      5.96699         0.201253      0.302763      0.350232
     17.16076      5.31933      6.89961         0.087305     -0.518587      0.179741
     17.11562      6.69539      7.11370         0.198341      0.280739      0.464153
     15.40485      5.58666      5.30011        -0.287350     -0.112229     -0.323237
     15.37411      6.96584      5.50090        -0.224614      0.354276     -0.235767
     16.25437      7.52485      6.40999        -0.114933      0.246014     -0.037283
     16.43278      8.93827      6.85031        -0.474771      0.900788     -0.234977
     17.80344      7.55396      8.14113         0.367838     -0.337757      1.182058
     17.86568     10.09739      8.59819        -0.295121      0.229175     -0.146791
     18.88468      9.99258      9.53118        -0.134326      0.094833      0.061654
     19.43267     11.11751     10.12480         0.356464      0.194755      0.164583
     17.43637     11.44411      8.37240        -0.133743     -0.263427     -0.020461
     17.93168     12.56769      9.08330         0.237261     -0.606094      0.365065
     19.00678     12.46153     10.05643         0.013443     -0.189395     -0.104299
     19.74287     13.57901     10.84756        -0.570500      0.354698     -0.477631
     20.96375     13.49158     11.58858         0.145726      0.312312      0.071279
      0.35870     14.59863     12.13594        -0.201888      0.061961     -0.056967
     19.28641     14.92419     10.84713        -0.111134      0.100932     -0.097240
     19.96536     16.06227     11.34043        -0.523332     -0.143742     -0.223930
     21.18736     15.91958     12.01093        -0.246181      0.655258     -0.351842
      0.48641     12.25198     11.82663        -0.172732     -0.795147     -0.424243
     17.25717     13.86243      8.75534        -0.421184      0.030920     -0.033442
     20.30640      1.28258      6.16072         0.005755     -0.275872     -0.131111
     19.75874      2.34228      5.43584        -0.130604     -0.102347     -0.431488
     19.82257      3.64561      5.87828         0.118879      0.084093     -0.021694
     20.84779      1.51338      7.41293         0.246680     -0.578319      0.165127
     20.92433      2.82749      7.85813         0.185865     -0.017611      0.334168
     20.46023      3.92589      7.11276        -0.339319      0.333145     -0.455455
     20.07199      0.02038      5.40207         0.650443     -0.883781     -0.002504
     19.03290      1.77416      4.25049        -0.542598      0.559310     -0.796511
     20.61405      5.34147      7.53501        -0.314617      0.452749     -0.158329
     20.20717      6.38833      6.66508        -0.094643     -0.118890      0.248499
     20.46463      7.70867      7.01881        -0.350784      0.136899     -0.355082
     -0.08716      5.72452      8.76790        -0.178901     -0.400140      0.315799
      0.20295      7.03880      9.09716         0.121000      0.100606      0.482602
     21.12367      8.01504      8.19273        -0.126282      0.816688     -0.184379
      0.01483      9.47744      8.26959         1.415015      1.511307      2.002516
     20.07699      9.00078      6.34865        -0.350610     -0.326229     -0.216139
     20.34145     11.48154      6.96137         0.173153      0.242808     -0.112305
     19.50498     11.89108      5.91950        -0.020966     -0.082904     -0.344143
     19.20893     13.23063      5.71053        -0.146732      0.447505     -0.057375
     20.86118     12.57188      7.72704         0.180564     -0.262655     -0.152381
     20.61947     13.94629      7.44440        -0.134160     -0.465863     -0.356421
     19.70281     14.36226      6.42103        -0.304752     -0.236039     -0.608865
     19.16109     15.78530      6.12885         0.126450      0.279675     -0.025908
     18.26839     16.19632      5.07216         0.366846      0.147420      0.280523
     17.77674     17.51468      4.98089         0.100262      0.191702     -0.093119
     19.44018     16.89948      6.96509         0.259567     -0.101000      0.136164
     18.91123     18.18380      6.92248         0.153998     -0.011114      0.086241
     18.00027     18.54062      5.93476        -0.033953     -0.211304     -0.355902
     17.75074     15.24449      4.01764         0.074374      0.376660     -0.038650
      0.11151     14.95764      8.26775         0.502711     -0.515760     -0.220112
     12.37116      5.28496      4.05000         0.388840     -0.088629     -0.176719
     12.92284      3.73021     20.59060         0.087705      0.146832      0.297650
     12.99175      6.10171     21.10059        -0.088476      0.153989     -0.042438
     12.48755      7.48401      4.37916         0.299751     -0.018843     -0.021271
     13.24598      7.93988      0.13977        -0.077875     -0.030860      0.024791
     13.55070     10.33011      0.41308        -0.163973     -0.222116      0.331232
     13.05357     13.57904      8.48107         0.229269      0.130160     -0.566399
     12.86570     11.82706      7.12929         0.467709     -0.290977     -0.282738
     14.03167     14.26141      3.79277         0.445924     -0.025471     -0.158399
     13.00199     17.13429     11.37263        -0.109953      0.083576      0.160953
     14.55498     17.81410      6.84262         0.350172     -0.382317      0.447237
     14.69579     19.55419      8.24524         0.094133     -0.035008      0.307334
     10.20670      6.85199      3.33234        -0.237155     -0.074515      0.049370
      9.40578      3.45622      6.87322         0.337313      0.286648     -0.112953
      9.55090      5.81918      7.49998         0.166938      0.166958      0.100367
     10.53892      8.71325      3.87404        -0.467563      0.141239      0.057490
      9.65674      7.73911      8.00431         0.125807     -0.020403     -0.080763
      9.89819     10.09757      8.62674         0.087150     -0.121683     -0.236199
     12.30417     15.76522      2.52498        -0.367201      0.200136      0.251200
     11.71207     13.67258      2.96052        -0.460894      0.016835      0.244641
     10.74335     14.87633      6.95490        -0.453422      0.027707      0.050335
     12.73459     20.21559      1.09741         0.634948      0.008418     -0.108449
     11.69119     19.23733      5.66737        -0.127867     -0.129897     -0.306714
     11.83778      0.14154      5.14722         0.287559      0.017179     -0.426508
      9.78860      9.28720     17.24007         0.427086     -0.245802     -0.248897
     10.12725      7.76175     12.50501         0.190061      0.130153      0.381911
     10.26201     10.12243     13.02239        -0.046970      0.227053     -0.015057
      9.88542     11.40377     17.64451         0.346303      0.011684     -0.008396
     10.55095     12.05192     13.41100        -0.051664     -0.082296      0.018873
     10.80620     14.44197     13.78913        -0.173123     -0.266755      0.263445
      9.70778     17.67699      0.48635        -0.245153      0.320866     -0.511514
      9.96761     15.86037     20.56323         0.075372     -0.004961     -0.485848
     10.83851     18.32828     17.13717         0.620640      0.009080     -0.043904
      9.58714      0.02901      3.42248        -0.650051      0.003448      0.298207
     11.02008      0.79179     20.20278        -0.031023     -0.318941      0.512562
     10.51592      2.61177      0.12431        -0.199596     -0.139731      0.444107
      7.72049     10.61600     16.07561        -0.550328     -0.046439      0.036759
      6.93209      7.24269     19.65537         0.287238      0.251092     -0.196697
      6.97235      9.60704     20.22669         0.232571      0.120711      0.032654
      7.84359     12.69263     16.64545        -0.454800      0.102522      0.057061
      6.82339     11.48168     20.66906         0.210335     -0.141271      0.009712
      6.83628     13.78977      0.12763         0.421530     -0.168856     -0.171816
      9.50614     19.85852     16.01339        -0.557882      0.371873     -0.231323
      8.85100     17.74904     16.18691        -0.376877     -0.010292      0.165681
      7.21107     18.81185     20.01163        -0.382379     -0.011182     -0.229005
      9.50763      3.00097     14.30809         0.463105     -0.366154      0.196764
      8.52437      2.05927     18.95449        -0.415217     -0.158372     -0.437667
      8.86235      4.21909     18.38649         0.307398     -0.076881     -0.333013
      6.80757     13.02255      8.75292         0.057752     -0.082909     -0.218015
      7.54678     11.33391      4.08182        -0.087580      0.235389      0.263043
      7.78706     13.70934      4.57703        -0.016859      0.260208     -0.058813
      6.81377     15.16030      9.04113         0.169775      0.151171     -0.094742
      8.04622     15.57937      4.90412        -0.069744     -0.221778     -0.128500
      8.15737     17.97123      5.13224        -0.398365     -0.296406      0.140014
      6.19620      0.25960     12.77812         0.671157      0.193791     -0.177691
      6.66940     19.63135     11.66886         0.268761      0.008467     -0.192427
      8.12322      0.79948      8.42727         0.173322     -0.054319      0.227618
      6.58456      3.79770     16.00559        -0.414735      0.190972      0.079939
      8.14478      4.49306     11.54995         0.494025      0.015329      0.154133
      7.92812      6.28716     12.77227        -0.177502      0.093893      0.538688
      3.58385     14.44095      9.09444         0.023887     -0.174297      0.060880
      4.56908     11.28479     12.85212        -0.030914      0.221858     -0.204434
      4.66517     13.69174     13.22502         0.085095      0.198372      0.147089
      3.95974     16.38123      9.33775        -0.121015      0.019953      0.109147
      4.64873     15.66051     13.58920         0.232941     -0.195717     -0.207165
      5.03170     18.04608     13.91105         0.160205     -0.184732     -0.206176
      5.42579      2.29177      7.41506         0.000411      0.182616      0.534064
      4.94315      0.20536      8.01386        -0.217292     -0.018967      0.246683
      4.43627      1.56576     12.05531        -0.563151      0.007156      0.173255
      6.78538      6.64445      5.98074         0.352207     -0.030936     -0.219230
      5.45630      5.95306     10.51166         0.152483     -0.211266     -0.283645
      5.88548      8.02221      9.95087         0.424781     -0.134143     -0.409001
      2.11044     16.46651      3.24132        -0.124227     -0.095306     -0.221727
      0.44505     14.92737     20.03656         0.008930      0.011002      0.342011
      0.52556     17.25798     20.53525        -0.219418      0.154085      0.070095
      1.83188     18.74767      3.60003        -0.145148      0.139559     -0.186223
      0.26545     19.02029     20.79717         0.011637     -0.306168     -0.046789
      0.03377      0.16041     21.00308         0.021234     -0.321688      0.108189
      2.51658      3.80465      6.97847         0.033951      0.300599     -0.040236
      2.33584      2.02405      5.86429        -0.049642     -0.147927     -0.237904
      0.69475      4.32473      2.61774        -0.270006     -0.052415      0.002734
      3.71066      7.54218      9.49782        -0.037885     -0.019423      0.509716
      1.81637      8.31416      5.13579        -0.119441     -0.153394      0.325408
      2.49714     10.12201      6.27750        -0.016242     -0.391268      0.578773
      3.30901     17.04918     21.02238         0.407537     -0.162043     -0.246633
      6.01498     13.79759      2.37818        -0.352476      0.244195      0.013445
      6.06085     16.13514      2.97517        -0.098099      0.131496      0.032418
      3.40263     19.26540      0.42316         0.278827      0.130218      0.028603
      6.16558     18.00311      3.51987        -0.033935     -0.237456     -0.001257
      6.40447     20.28766      4.28788        -0.189934     -0.195875     -0.129234
      1.88685      5.40123      0.53094         0.556578      0.171603      0.260972
      2.43456      3.34918      0.47327        -0.046741     -0.386665     -0.066520
      4.84166      3.94316      3.95797         0.158378     -0.046892     -0.277594
      1.47228     10.26672     21.17710        -0.617693      0.201005      0.069116
      4.24191      8.77057      3.58239         0.313312      0.285340     -0.953492
      3.70360     10.91960      3.55589        -0.024466      0.039219     -0.634185
     20.44663     19.53724     14.78028        -0.238855     -0.002632      0.388994
     16.60521     17.81311     12.08796         0.363205      0.164707      0.242374
     16.91340     20.21388     12.38409         0.008516      0.096124     -0.055218
     20.67228      0.31621     15.02381        -0.294476      0.153648      0.123195
     16.97086      0.85785     12.83944        -0.083182     -0.090885     -0.080156
     16.97316      3.25613     13.34385         0.330499     -0.285258     -0.023594
      2.47724      6.69354     17.23816         0.615473     -0.034200      0.585136
      1.40181      4.69390     17.06204        -0.414842     -0.056275      0.071366
     19.28934      7.08967     15.96747        -0.173878      0.000567      0.579238
      4.49455     10.03530     20.24520        -0.014982      0.117545     -0.567491
      0.16283     10.72874     18.25587         0.856433     -0.458247      0.355462
      1.30025     12.54629     18.80614         0.231715     -0.034235      0.561647
      0.71727     21.15158     13.34403         0.030975      0.198578     -0.333074
      3.70707     17.78154     15.45800        -0.533188      0.437265     -0.092337
      4.19390     20.15565     15.72401        -0.304462      0.120783      0.187427
      0.94524      1.81103     13.72568         0.267618      0.126738     -0.267373
      4.29133      0.85270     16.27889        -0.676452      0.022626      0.422068
      4.68550      3.23683     16.70286        -0.578031     -0.021162      0.278880
     20.04125      8.88311     13.81796         0.472944     -0.028451      0.121188
     20.80327      6.78611     13.82214         0.740158      0.043431     -0.093985
      3.00001      8.14751     15.97675         0.711802      0.145004     -0.508045
     18.30366     13.11692     13.40157        -0.655347     -0.006463      0.109155
      1.36723     12.56936     15.32835        -0.492379     -0.162154     -0.375941
      0.59645     14.61512     15.32273        -0.730463     -0.096653     -0.131281
     17.79815      2.63846      7.14989        -0.371471     -0.208843      0.104010
     14.57105      0.87197      3.77299         0.353242      0.274825      0.068755
     14.63381      3.27549      4.28052         0.080983      0.242249     -0.080164
     17.89401      4.71916      7.44857        -0.238813      0.122250      0.083622
     14.69396      5.20562      4.57379        -0.051218     -0.185327     -0.085019
     14.65745      7.60886      4.96781         0.300031     -0.328729      0.116293
     20.34453     10.82609     10.61444        -0.355530      0.342870     -0.054243
     19.37657      9.05564      9.77339        -0.303216     -0.124945     -0.046772
     16.70841     11.63444      7.58738        -0.063216     -0.059213      0.174898
      1.17006     14.41370     12.80385         0.695714     -0.120990     -0.022150
     18.38320     15.19888     10.30219         0.293101     -0.231973      0.619009
     19.45678     17.01412     11.10778         0.649608     -0.288051      0.284203
     19.35012      4.41448      5.26821         0.085956      0.004065      0.011638
     21.18420      0.66832      8.03833        -0.011799      0.382811     -0.235469
      0.15823      2.98052      8.80869        -0.046147      0.164527      0.309829
     19.71164      6.16670      5.72238         0.019254      0.122571      0.152508
      0.22420      4.97503      9.48607        -0.415244     -0.091422      0.127882
      0.69015      7.29550     10.03867        -0.057022     -0.038580      0.046942
     18.48998     13.32974      4.91260         0.286461      0.056775      0.357545
     19.02792     11.19875      5.21804         0.244598     -0.025101      0.371197
      0.18323     12.34032      8.60959         0.371656      0.005466     -0.116502
     17.08681     17.69251      4.17364         0.063485      0.247494     -0.257438
     20.09732     16.83220      7.81050        -0.016784     -0.107210     -0.456347
     19.29610     18.88259      7.66361        -0.288316      0.040913     -0.052396
     14.01028     19.33467     10.70184        -0.127628     -0.242848     -0.028665
     18.76508     20.98375      3.74453         0.441901      0.317137     -0.021040
     12.56992      1.21737      2.69255         0.372753     -0.285490     -0.093115
     13.52883     11.60609      4.45048         0.284104      0.867736     -0.243797
      9.75544      2.65140      2.83532        -0.315609     -0.341632     -0.274452
     10.66799     12.66448      5.34039        -0.399894      0.444982      0.326853
      9.71802      5.23197     15.88547         0.016911     -0.813723      0.585002
     10.55265     15.64026     17.83555         0.281567      0.138560     -0.586843
      7.02445      6.44903     15.51871        -0.228190     -0.064372     -0.238457
      7.60201     16.59182     18.34722        -0.431131      0.577483     -0.133849
      6.56535      8.97885      7.42947         0.221051     -0.463598      0.343492
      7.44346     19.37994      9.04623         0.227964      0.491908      0.339492
      3.49754     10.19823      8.91813        -0.073748     -0.332938     -0.257258
      4.33958     20.47665     10.59227        -0.220970      0.586590     -0.525974
      2.17821     12.39205      1.61684        -0.405296      0.063490      0.504678
      1.29671      1.69270      3.37586         0.078157      0.667050      0.698057
      3.68427     12.74756     20.27722         0.119863      0.614023      0.125312
      4.13802      1.87846      2.17791         0.130706      0.292530     -0.009184
     19.43920     15.45782     14.22520        -0.796250     -0.275294      0.246294
     20.10278      4.44658     15.93872        -0.200369      0.920516      0.033410
      0.66837     17.01308     12.61248        -0.038536     -0.314425     -0.212163
      2.05557      5.82699     14.65619         0.281980      0.554990      0.303594
     17.38497     19.85024      5.87889         0.162358     -0.194332      0.171109
     17.41981      8.92021      7.86655        -0.031790      0.524473      0.491091
     19.29041      0.40974      4.30275        -0.078866     -0.568202     -0.283606
     20.58319     10.05856      7.17485         0.298787      0.812448      0.010018
     12.18099      2.30808      4.75959         0.254883      0.092898      0.484189
     13.11182      0.96203      0.42241         0.301488      0.749237      0.518893
     13.08153      9.94773      6.04067         0.047728     -0.465011      0.225219
     13.72626     12.64857      2.32685        -0.034015     -1.847447      1.052064
      9.99548      4.48878      1.37766        -0.367315      0.138411      0.265215
      9.37222      1.43720      4.81956         0.101642      1.235969     -0.223014
     10.78105     11.61538      3.25018        -0.153926      0.045103     -2.377173
     10.28378     12.91097      7.66922        -0.051392     -0.905722     -1.017268
      9.53472      6.36042     17.97724         0.433439     -0.010669     -0.282308
     10.22067      4.93965     13.63253         1.084573     -2.183358     -2.972638
     10.15923     13.92875     19.39624         0.296880     -0.426337     -0.024247
     10.83212     16.68499     15.74474         0.123825     -1.253646      0.387770
      7.34672      8.30648     14.10297        -0.331838      0.457087     -0.600993
      6.71619      5.21087     17.49275        -0.027689      1.097118     -0.043884
      8.01146     15.68483     16.20991        -0.182004      0.115322     -1.548109
      7.11294     16.69099     20.64912         0.054178     -0.703586     -0.749656
      6.43832     10.13084      9.50920         0.332195      0.048352     -0.789919
      7.06275      8.60015      5.17055        -0.071364      0.949845      0.712147
      6.90407     17.71289     10.65232         0.652438      0.239064     -1.496401
      8.06387     20.36668      7.01119        -0.481576     -1.089368      0.238835
      3.06954     11.96839      7.41007         0.317931     -0.043168      0.877074
      4.01389      9.06799     10.92041        -0.158109      0.894098     -0.105021
      4.24853     19.31675      8.50086        -0.217200      0.100523     -0.195171
      4.52293     20.73666     12.98550        -0.445689     -2.755559     -3.955884
      2.98482     13.37284      3.64816        -0.912093      0.287451     -1.787806
      0.64451     12.21697     21.10383        -1.087590     -0.484921     -0.550725
      2.15055      0.13933      4.98346        -0.483832      0.112004     -1.184481
      0.39476      2.56334      1.41257        -0.092403     -1.077835      0.286659
      2.66582     14.53508     19.08973         0.858041     -0.041836      0.562009
      4.99385     11.65305      0.60296         0.118708      0.447723      0.173817
      2.93650      1.09301      0.29703         0.725092     -0.384615      0.507401
      5.71096      1.89282      3.92285        -0.435687     -1.005561     -0.709363
     -0.18707     16.67639     15.38914         1.301116      0.196066      1.606391
     17.49213     15.04424     12.93984         0.683748      1.192622      0.865726
      0.32819      2.75485     16.59074         0.083732     -0.346692      0.478984
     18.38598      5.54918     14.70758         0.577576     -1.266410      0.372300
     20.83361     18.89184     11.73203         0.193373      0.350281     -0.243069
      2.15324     15.73573     13.94958        -0.326784      1.381470     -0.520035
      0.34247      4.73687     13.47658        -2.153360      0.025009     -1.769461
      3.93567      5.99646     16.11929        -1.062858     -0.985292     -1.504450
     18.37606     20.94960      7.74997        -0.287960     -0.006698     -0.216072
     15.87392     19.47379      4.11487         0.226762      0.850135      0.482830
     18.47578      7.18373      9.11125        -1.025501      0.267739     -0.925490
     15.84916      9.96059      6.46901         0.576361     -1.110994      0.039318
     18.30713      2.30653      3.40067         0.766855     -0.157143      0.752511
     20.47003     20.12066      5.58725        -0.232801      1.222467     -0.056192
     19.39958      9.13026      5.33537         0.204693     -0.010375      0.312022
      0.62634     10.11993      9.17333        -1.308278     -1.665102     -2.393887
     13.68151     17.61501      5.32123         0.307988     -0.154483     -0.024123
     15.63889     16.77399      5.56440         0.506714     -0.231800      0.178223
     14.51231     16.44145      3.71889         0.258208     -0.238290      0.486509
     11.96606     15.21147     11.33353         0.047975      0.093894     -0.396858
     11.46494     14.57736      9.29348        -0.219624      0.009970      0.561930
     13.38426     13.96052     10.24440        -0.242565     -0.097251      0.543466
     11.91260     18.22648      7.20432         0.099985     -0.360839      0.292580
      9.98568     18.39851      6.31645        -0.175173      0.145823      0.262278
     10.38381     16.82476      7.83882        -0.080823      0.350219     -0.267639
     12.98008     18.28590      0.09213         0.327589     -0.206672      0.519222
     13.90885     16.81387      1.48176        -0.354651      0.957414     -0.474449
     11.80746     16.66671      0.97205         0.573555      0.758431     -0.184528
     10.15143      0.33955     18.66576         0.572668      0.088629     -0.143059
     12.26684     -0.10299     18.81783         0.429861     -0.257230      0.070507
     11.16848     20.65029     17.01533         0.619998     -0.395566      0.284173
      9.15221     19.22160      3.56244        -0.465192      0.077955      0.073691
      8.15730     18.56909      1.71833        -0.702114      0.069947     -0.059642
     10.21075     18.03633      2.10293        -1.033508      0.187036      0.547470
      8.13077      0.79587     20.42958        -0.221049     -0.056751      0.136716
      6.41982      1.17991     19.16725        -0.651981     -0.152085      0.076035
      6.36883     20.82063     20.69117        -0.057738      0.247136     -0.282056
      9.15251      0.92818     13.34743         1.352382      0.761370     -0.721212
     10.53212     21.01410     14.65838         0.403998      0.989354     -0.463507
      8.52690     20.43589     14.32487        -0.109738     -0.099718      0.121398
      7.66661      4.07842      9.89483         0.382594      0.201795     -0.318254
      9.63469      3.38380     10.42903         0.499808     -0.215420     -0.008934
      8.76225      2.87814      8.47496         0.387812     -0.079773      0.631755
      6.14002      1.76945     16.06627        -0.213377     -0.222220      0.918856
      5.04059      1.58378     14.11888        -0.631546     -0.307095      0.293918
      6.83275      0.51301     14.46752        -0.487610      0.473223      1.431510
      5.70410      4.94662     11.90562        -0.334361      0.159622      0.278773
      3.58112      4.98651     11.79433        -0.762357     -0.091574     -0.117415
      4.49827      3.48627     12.96336        -0.034753      0.103820     -0.205747
      6.97293      4.42724      5.09676         0.114651     -0.129681      0.533611
      7.15155      2.95464      6.66376         0.168517     -0.045746     -0.054025
      5.17074      3.47495      5.95490         0.341037      0.327739     -0.131412
     -0.11667      7.32778      4.52580        -0.519936      0.035148      0.141440
      1.70320      7.60694      3.47740        -0.699739     -0.328771     -0.156026
      0.07731      6.43384      2.59160        -0.198505     -0.225330      0.285512
      3.45949      5.47272      9.66259         0.101078     -0.114012      1.354543
      1.99300      4.41947      8.58900        -0.680849     -0.274999      0.614779
      3.90648      4.60139      7.68855        -0.001863      0.171994      0.142752
      5.79322      7.19834      3.49089         0.292305     -0.225799     -0.086280
      3.97179      7.41658      4.68037         0.082347     -0.077724     -0.286668
      5.13282      5.72129      5.02601        -0.146492      0.420339     -0.389374
      1.05773      8.17110     20.18176        -0.875590      0.182195      0.758663
      2.69891      6.90990     -0.34149        -0.785609      0.686775     -0.981441
      0.66910      6.79538      0.43764        -0.738174      0.161724      0.466865
     19.67868      9.54710     18.65365        -0.401995     -0.083312      0.652333
     20.34075     10.43711     16.80825        -0.335332      0.194539     -0.049535
     18.67365      9.06770     16.76340        -0.202013     -0.031269      0.481923
      4.77814      7.84560     19.96488         0.037140     -0.099861     -0.245754
      3.29909      6.58978     18.87465         1.498543      1.200284      0.912593
      4.53574      7.84803     17.72276         0.676116      0.864106      0.080005
      3.18438     11.52095     14.94742         0.463194     -0.058506     -0.329359
      1.92006     11.59304     16.69340         0.640919      0.057862     -0.120455
      3.60229     10.23297     16.67555         0.208180      0.073788     -0.880503
     17.49998     11.16665     13.02689         0.185216     -0.045155      0.416814
     19.06039      9.76189     12.51244        -0.219493      0.482082      0.143631
     18.19018      9.65736     14.49630        -0.132866      0.793871     -0.405456
     16.57395     14.34353      9.84729        -0.389824     -0.065068     -0.097259
     18.11771     14.86429      8.39913        -0.451896     -0.009483     -0.048796
     16.36527     13.76847      7.72605         0.082424      0.036618      0.227078
      1.45222     12.32177     12.76769         0.455338      0.239193     -0.165776
     20.95536     11.19103     12.19245         1.048854      0.021812      0.042307
      1.10440     11.84287     10.68724         0.387228      0.383225     -0.069401
      0.82368     15.82879      7.48624         0.395477     -0.173543     -0.137732
     20.57752     15.74097      9.03703         0.394774      0.032950      0.083987
      0.98768     14.39459      9.15396         0.269141     -0.025380     -0.409518
     17.02817     15.83464      3.01803         0.433884     -0.190289      0.217667
     18.80023     14.59173      3.41990        -0.224131      0.123148     -0.618776
     16.91519     14.28116      4.56111        -0.131039      0.358670     -0.428913
 -----------------------------------------------------------------------------------
    total drift:                               -0.001246     -0.006810     -0.002555


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4539.6289089836 eV

  energy  without entropy=    -4539.7815105748  energy(sigma->0) =    -4539.67977618
 
 d Force = 0.5500535E+01[ 0.658E+00, 0.103E+02]  d Energy = 0.5354471E+01 0.146E+00
 d Force = 0.3141330E+04[ 0.309E+04, 0.319E+04]  d Ewald  = 0.3141144E+04 0.187E+00


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -5.354471  1 .order   -5.500535  -10.343035   -0.658035
  (g-gl).g = 0.311E+02      g.g   = 0.287E+02  gl.gl    = 0.328E+02
 g(Force)  = 0.287E+02   g(Stress)= 0.000E+00 ortho     = 0.109E+00
 gamma     =   0.94880
 trial     =   0.35885
 opt step  =   0.38586  (harmonic =   0.38323) maximal distance =0.09668544
 next E    = -4539.653611   (d E  =  -5.37917)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   23(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3184
 total energy-change (2. order) : 0.1340964E-01  (-0.1718648E+01)
 number of electron    2497.9999968 magnetization 
 augmentation part      162.8561148 magnetization 

  free energy =  -0.453961549203E+04  energy without entropy=  -0.453976799289E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   23(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) :-0.3867778E-01  (-0.4699792E-01)
 number of electron    2497.9999968 magnetization 
 augmentation part      162.8581971 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8449
  0.8449

  free energy =  -0.453965416981E+04  energy without entropy=  -0.453980720764E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   23(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3688
 total energy-change (2. order) : 0.1365700E-02  (-0.9366521E-03)
 number of electron    2497.9999968 magnetization 
 augmentation part      162.8511531 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3588
  1.1674  1.5503

  free energy =  -0.453965280411E+04  energy without entropy=  -0.453980546793E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   23(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3520
 total energy-change (2. order) :-0.4448712E-03  (-0.7405407E-03)
 number of electron    2497.9999968 magnetization 
 augmentation part      162.8480144 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2634
  2.1287  0.9184  0.7431

  free energy =  -0.453965324898E+04  energy without entropy=  -0.453980645834E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   23(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) :-0.1953837E-03  (-0.1651866E-03)
 number of electron    2497.9999968 magnetization 
 augmentation part      162.8496263 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2638
  2.3024  0.8914  0.9308  0.9308

  free energy =  -0.453965344437E+04  energy without entropy=  -0.453980604934E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   23(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) : 0.5801555E-04  (-0.6593555E-04)
 number of electron    2497.9999968 magnetization 
 augmentation part      162.8500170 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2211
  2.4045  1.1102  1.1102  0.7404  0.7404

  free energy =  -0.453965338635E+04  energy without entropy=  -0.453980648747E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   23(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3432
 total energy-change (2. order) :-0.3798137E-05  (-0.2956850E-04)
 number of electron    2497.9999968 magnetization 
 augmentation part      162.8506667 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2053
  2.4294  1.2032  1.2032  0.9120  0.9120  0.5722

  free energy =  -0.453965339015E+04  energy without entropy=  -0.453980609605E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   23(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3296
 total energy-change (2. order) : 0.5017500E-06  (-0.4002046E-05)
 number of electron    2497.9999968 magnetization 
 augmentation part      162.8506667 magnetization 

  free energy =  -0.453965338965E+04  energy without entropy=  -0.453980618806E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.9583       2 -56.1396       3 -56.0238       4 -55.7602       5 -55.7614
       6 -56.2824       7 -57.9727       8 -58.3171       9 -56.2918      10 -56.0003
      11 -56.0424      12 -55.7826      13 -55.7532      14 -55.9510      15 -57.9532
      16 -58.0832      17 -56.3203      18 -54.8854      19 -54.6578      20 -55.1463
      21 -55.5885      22 -55.5502      23 -55.6232      24 -55.6049      25 -55.0298
      26 -54.6776      27 -54.8737      28 -54.9884      29 -60.4586      30 -60.3948
      31 -55.5953      32 -55.8246      33 -55.7107      34 -55.2095      35 -55.4629
      36 -55.9546      37 -57.7600      38 -58.0892      39 -56.0198      40 -55.7181
      41 -55.8715      42 -55.6541      43 -55.6912      44 -55.8268      45 -58.0085
      46 -58.2365      47 -56.4713      48 -55.0821      49 -54.8257      50 -55.2624
      51 -55.8350      52 -55.7422      53 -55.6972      54 -55.8285      55 -55.1601
      56 -54.7318      57 -54.9707      58 -56.3977      59 -60.4765      60 -60.6653
      61 -55.8157      62 -55.9484      63 -55.8737      64 -55.6634      65 -55.6948
      66 -56.1575      67 -58.0295      68 -58.1634      69 -56.2438      70 -55.9487
      71 -56.0885      72 -55.7248      73 -55.6781      74 -55.9355      75 -58.0003
      76 -58.2227      77 -56.5101      78 -55.0291      79 -54.7864      80 -55.3524
      81 -55.7837      82 -55.7972      83 -55.7888      84 -55.8167      85 -55.0843
      86 -54.9300      87 -55.0852      88 -56.4669      89 -60.7005      90 -60.5155
      91 -55.6673      92 -55.8001      93 -55.6801      94 -55.4065      95 -55.4732
      96 -55.9857      97 -57.7743      98 -58.0325      99 -56.0543     100 -55.8254
     101 -55.9289     102 -55.5104     103 -55.5566     104 -55.8303     105 -58.0272
     106 -58.2775     107 -56.4755     108 -55.0299     109 -54.8425     110 -55.3032
     111 -55.7690     112 -55.7185     113 -55.7008     114 -55.8245     115 -55.2488
     116 -54.8593     117 -54.9958     118 -56.3947     119 -60.4611     120 -60.5318
     121 -55.8633     122 -55.9438     123 -55.8163     124 -55.7131     125 -55.7022
     126 -56.1116     127 -57.9543     128 -58.1759     129 -56.0430     130 -55.7439
     131 -55.8719     132 -55.5645     133 -55.5223     134 -55.7703     135 -57.8734
     136 -58.0307     137 -56.4084     138 -54.9527     139 -54.6941     140 -55.2449
     141 -55.7270     142 -55.8096     143 -55.7108     144 -55.6443     145 -55.0536
     146 -54.8874     147 -55.0800     148 -56.3834     149 -60.5449     150 -60.5715
     151 -55.5686     152 -55.6671     153 -55.5261     154 -55.3461     155 -55.3832
     156 -55.8373     157 -57.7503     158 -57.8417     159 -55.9196     160 -55.6706
     161 -55.8561     162 -55.4822     163 -55.5256     164 -55.7569     165 -57.9777
     166 -58.2491     167 -56.5926     168 -55.2039     169 -54.9071     170 -55.3890
     171 -55.9319     172 -55.9218     173 -55.8495     174 -55.7225     175 -55.1397
     176 -54.6559     177 -54.9300     178 -56.3056     179 -60.4795     180 -60.6417
     181 -55.8855     182 -56.1191     183 -55.9488     184 -55.6477     185 -55.6343
     186 -56.2399     187 -58.0026     188 -58.1935     189 -56.2028     190 -55.8367
     191 -55.9497     192 -55.7061     193 -55.6361     194 -55.8440     195 -57.9261
     196 -58.1696     197 -56.4093     198 -54.9077     199 -54.7332     200 -55.2408
     201 -55.7793     202 -55.8057     203 -55.6852     204 -55.6711     205 -55.1211
     206 -54.9173     207 -55.0203     208 -56.3782     209 -60.7351     210 -60.4864
     211 -56.0255     212 -56.1986     213 -55.9664     214 -55.7960     215 -55.7403
     216 -56.2888     217 -58.1171     218 -58.3507     219 -56.1945     220 -55.8414
     221 -55.9534     222 -55.6273     223 -55.5246     224 -55.8204     225 -57.8389
     226 -58.1190     227 -56.3431     228 -54.8259     229 -54.7980     230 -55.0545
     231 -55.5926     232 -55.8156     233 -55.8731     234 -55.5482     235 -55.2308
     236 -54.8501     237 -55.0981     238 -56.4715     239 -60.2996     240 -60.3428
     241 -55.9132     242 -55.9442     243 -55.8245     244 -55.7159     245 -55.7246
     246 -56.1411     247 -57.9462     248 -58.1944     249 -56.2091     250 -55.9276
     251 -56.0481     252 -55.7472     253 -55.7693     254 -55.9560     255 -58.0624
     256 -58.1715     257 -56.5621     258 -55.1714     259 -54.9442     260 -55.3453
     261 -55.8199     262 -55.8994     263 -55.9015     264 -55.8819     265 -55.4534
     266 -54.9484     267 -55.2720     268 -56.5179     269 -60.5387     270 -60.4676
     271 -55.8556     272 -55.9380     273 -55.7275     274 -55.7234     275 -55.6798
     276 -56.0176     277 -58.0541     278 -58.2113     279 -55.7604     280 -55.5668
     281 -55.6570     282 -55.3834     283 -55.2997     284 -55.5991     285 -57.9040
     286 -58.1569     287 -56.6314     288 -55.2006     289 -54.9584     290 -55.5084
     291 -55.8533     292 -55.8134     293 -55.7755     294 -55.8436     295 -55.1348
     296 -54.8001     297 -54.9551     298 -56.3968     299 -60.4567     300 -60.6963
     301 -55.8554     302 -55.9785     303 -55.8409     304 -55.5845     305 -55.6059
     306 -56.0953     307 -58.0043     308 -58.2260     309 -56.1395     310 -55.8153
     311 -55.9675     312 -55.6566     313 -55.6506     314 -55.8735     315 -57.9388
     316 -58.0847     317 -56.3910     318 -54.9169     319 -54.6902     320 -55.1851
     321 -55.6940     322 -55.7420     323 -55.7674     324 -55.7491     325 -55.0822
     326 -55.0180     327 -55.1800     328 -56.4970     329 -60.4785     330 -60.3523
     331 -55.7626     332 -55.8212     333 -55.6492     334 -55.5871     335 -55.5347
     336 -55.9680     337 -57.9018     338 -57.9127     339 -55.7799     340 -55.5062
     341 -55.6184     342 -55.3629     343 -55.3709     344 -55.5771     345 -57.7782
     346 -57.9322     347 -56.3665     348 -54.8747     349 -54.7207     350 -55.2469
     351 -55.6663     352 -55.6868     353 -55.6225     354 -55.5552     355 -55.0420
     356 -54.5969     357 -54.8339     358 -56.2748     359 -60.3794     360 -60.4986
     361 -38.9910     362 -38.6989     363 -38.8977     364 -39.0747     365 -38.8880
     366 -38.5904     367 -37.9918     368 -38.1066     369 -38.1074     370 -38.1697
     371 -38.2095     372 -38.1625     373 -38.8124     374 -38.2644     375 -38.6388
     376 -38.8680     377 -38.7502     378 -38.6670     379 -38.0772     380 -38.0383
     381 -38.1586     382 -38.0274     383 -38.1957     384 -37.9843     385 -38.7405
     386 -38.6416     387 -38.7924     388 -38.9154     389 -38.7795     390 -38.4715
     391 -38.1494     392 -38.0909     393 -38.2532     394 -38.1415     395 -38.1207
     396 -38.2316     397 -38.7438     398 -38.2965     399 -38.6169     400 -38.8295
     401 -38.5703     402 -38.7093     403 -38.1087     404 -38.0276     405 -38.1243
     406 -38.0419     407 -38.0122     408 -37.8754     409 -38.7216     410 -38.6872
     411 -38.9202     412 -38.6865     413 -38.8048     414 -38.4775     415 -37.8860
     416 -38.1715     417 -37.9852     418 -38.2449     419 -38.2735     420 -38.1786
     421 -38.5506     422 -38.2500     423 -38.5530     424 -38.6994     425 -38.5502
     426 -38.6612     427 -38.0892     428 -38.1550     429 -38.3493     430 -38.0812
     431 -38.1826     432 -37.8679     433 -38.6963     434 -38.5865     435 -38.8943
     436 -38.6775     437 -38.9036     438 -38.5608     439 -38.4768     440 -38.0979
     441 -38.1236     442 -38.3116     443 -38.1515     444 -37.8755     445 -38.7836
     446 -38.7710     447 -38.8177     448 -38.7083     449 -38.7159     450 -38.3620
     451 -37.8522     452 -37.8996     453 -37.9294     454 -38.2685     455 -37.9938
     456 -37.8492     457 -38.9652     458 -38.5517     459 -38.8617     460 -38.9645
     461 -38.8909     462 -38.6370     463 -38.3900     464 -38.2768     465 -38.0987
     466 -38.2567     467 -38.0839     468 -38.1678     469 -39.0047     470 -38.6406
     471 -38.6885     472 -38.7659     473 -38.4852     474 -38.3076     475 -38.1822
     476 -38.1003     477 -38.4819     478 -38.0865     479 -38.1478     480 -37.9217
     481 -38.7966     482 -38.6237     483 -38.8102     484 -38.8154     485 -38.8322
     486 -38.6349     487 -37.9881     488 -38.1351     489 -37.9744     490 -38.3071
     491 -38.0653     492 -38.1880     493 -38.8524     494 -38.4351     495 -38.7295
     496 -38.6825     497 -38.5184     498 -38.4274     499 -38.0139     500 -37.8188
     501 -38.1137     502 -37.9981     503 -38.0245     504 -37.8467     505 -38.2540
     506 -41.0542     507 -71.6475     508 -71.5965     509 -71.5486     510 -71.6037
     511 -71.4287     512 -71.6283     513 -71.3868     514 -71.6395     515 -71.6592
     516 -71.5383     517 -71.3322     518 -71.6993     519 -71.6181     520 -71.6825
     521 -71.6852     522 -71.4629     523 -71.5392     524 -71.5895     525 -71.6969
     526 -71.4727     527 -71.6075     528 -71.5830     529 -71.2452     530 -71.5441
     531 -76.9720     532 -76.5261     533 -76.6986     534 -76.4427     535 -76.6952
     536 -76.3343     537 -77.0666     538 -76.5896     539 -76.8043     540 -76.9437
     541 -76.7989     542 -76.5565     543 -76.7585     544 -76.3677     545 -77.0493
     546 -76.6157     547 -76.7928     548 -76.5523     549 -76.6098     550 -76.4470
     551 -76.4362     552 -76.3610     553 -76.9832     554 -76.3755     555 -76.5903
     556 -76.8649     557 -76.7607     558 -76.5260     559 -76.8824     560 -76.7533
     561 -76.6784     562 -76.4065     563 -76.9798     564 -76.4391     565 -76.8571
     566 -76.6453     567 -76.8554     568 -76.6161     569 -77.0451     570 -76.5083
     571 -76.8866     572 -76.5951     573 -76.6206     574 -76.5147     575 -76.4470
     576 -76.4602     577 -76.5509     578 -76.2245     579 -82.4960     580 -82.5205
     581 -82.2364     582 -82.4180     583 -82.4441     584 -82.3065     585 -82.5815
     586 -82.6296     587 -82.5352     588 -82.3723     589 -82.1061     590 -82.1372
     591 -82.5846     592 -82.3366     593 -82.4736     594 -82.7523     595 -82.7502
     596 -82.5734     597 -82.5827     598 -82.4519     599 -82.3825     600 -82.6702
     601 -82.0576     602 -81.8801     603 -82.8732     604 -82.4872     605 -82.5560
     606 -83.1407     607 -82.6304     608 -82.3774     609 -82.7937     610 -82.4698
     611 -82.4069     612 -82.2719     613 -82.3514     614 -82.2381     615 -82.5700
     616 -82.5223     617 -82.3984     618 -83.1657     619 -82.9261     620 -82.7013
     621 -82.3219     622 -82.4474     623 -82.2873     624 -82.5017     625 -82.0564
     626 -82.4182     627 -82.3529     628 -82.6557     629 -82.2780     630 -82.8558
     631 -81.5721     632 -82.4705     633 -82.5978     634 -82.7206     635 -82.6275
     636 -82.3118     637 -82.2092     638 -82.1191     639 -82.1913     640 -82.3806
     641 -82.2868     642 -82.6250     643 -82.4296     644 -82.3334     645 -82.3606
     646 -82.6602     647 -82.4386     648 -82.2994     649 -82.3365     650 -82.2903
 
 
 
 E-fermi :  -1.3218     XC(G=0):  -6.3847     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.8165      2.00000
      2     -29.4196      2.00000
      3     -29.2033      2.00000
      4     -29.1256      2.00000
      5     -29.1165      2.00000
      6     -29.0953      2.00000
      7     -29.0903      2.00000
      8     -29.0124      2.00000
      9     -29.0049      2.00000
     10     -28.9781      2.00000
     11     -28.9667      2.00000
     12     -28.9472      2.00000
     13     -28.9403      2.00000
     14     -28.9330      2.00000
     15     -28.8974      2.00000
     16     -28.8148      2.00000
     17     -28.7861      2.00000
     18     -28.6845      2.00000
     19     -28.6375      2.00000
     20     -28.6259      2.00000
     21     -28.6133      2.00000
     22     -28.5173      2.00000
     23     -28.4470      2.00000
     24     -28.3761      2.00000
     25     -27.5093      2.00000
     26     -27.3684      2.00000
     27     -26.9739      2.00000
     28     -26.9366      2.00000
     29     -26.8888      2.00000
     30     -26.8828      2.00000
     31     -26.8344      2.00000
     32     -26.7965      2.00000
     33     -26.7251      2.00000
     34     -26.7099      2.00000
     35     -26.6917      2.00000
     36     -26.6863      2.00000
     37     -26.6819      2.00000
     38     -26.6764      2.00000
     39     -26.6648      2.00000
     40     -26.6477      2.00000
     41     -26.6313      2.00000
     42     -26.6270      2.00000
     43     -26.6263      2.00000
     44     -26.6137      2.00000
     45     -26.5879      2.00000
     46     -26.5821      2.00000
     47     -26.5759      2.00000
     48     -26.5738      2.00000
     49     -26.5525      2.00000
     50     -26.5053      2.00000
     51     -26.5027      2.00000
     52     -26.4727      2.00000
     53     -26.4684      2.00000
     54     -26.4668      2.00000
     55     -26.4579      2.00000
     56     -26.4557      2.00000
     57     -26.4335      2.00000
     58     -26.4330      2.00000
     59     -26.4243      2.00000
     60     -26.3859      2.00000
     61     -26.3717      2.00000
     62     -26.3207      2.00000
     63     -26.3182      2.00000
     64     -26.2942      2.00000
     65     -26.2847      2.00000
     66     -26.2773      2.00000
     67     -26.2644      2.00000
     68     -26.2313      2.00000
     69     -26.0480      2.00000
     70     -25.9785      2.00000
     71     -25.7731      2.00000
     72     -25.5568      2.00000
     73     -23.6028      2.00000
     74     -23.5788      2.00000
     75     -23.5392      2.00000
     76     -23.4919      2.00000
     77     -23.4661      2.00000
     78     -23.3019      2.00000
     79     -23.2975      2.00000
     80     -23.1585      2.00000
     81     -23.1475      2.00000
     82     -23.1472      2.00000
     83     -23.1072      2.00000
     84     -23.0774      2.00000
     85     -23.0669      2.00000
     86     -23.0498      2.00000
     87     -23.0475      2.00000
     88     -23.0216      2.00000
     89     -23.0094      2.00000
     90     -22.9425      2.00000
     91     -22.8786      2.00000
     92     -22.8329      2.00000
     93     -22.8106      2.00000
     94     -22.7768      2.00000
     95     -22.7710      2.00000
     96     -22.7689      2.00000
     97     -22.6801      2.00000
     98     -22.6530      2.00000
     99     -22.6064      2.00000
    100     -22.5884      2.00000
    101     -22.5612      2.00000
    102     -22.5301      2.00000
    103     -22.4840      2.00000
    104     -22.4829      2.00000
    105     -22.4622      2.00000
    106     -22.4419      2.00000
    107     -22.4364      2.00000
    108     -22.4117      2.00000
    109     -22.3889      2.00000
    110     -22.3528      2.00000
    111     -22.3446      2.00000
    112     -22.3146      2.00000
    113     -22.3065      2.00000
    114     -22.2996      2.00000
    115     -22.2443      2.00000
    116     -22.2167      2.00000
    117     -22.1879      2.00000
    118     -22.1685      2.00000
    119     -22.0019      2.00000
    120     -21.9460      2.00000
    121     -20.4263      2.00000
    122     -20.4089      2.00000
    123     -20.3885      2.00000
    124     -20.3741      2.00000
    125     -20.3724      2.00000
    126     -20.3346      2.00000
    127     -20.3008      2.00000
    128     -20.2813      2.00000
    129     -20.2797      2.00000
    130     -20.2507      2.00000
    131     -20.2325      2.00000
    132     -20.2266      2.00000
    133     -20.2242      2.00000
    134     -20.2062      2.00000
    135     -20.1790      2.00000
    136     -20.1710      2.00000
    137     -20.1413      2.00000
    138     -20.1372      2.00000
    139     -20.1272      2.00000
    140     -20.1178      2.00000
    141     -20.0906      2.00000
    142     -20.0231      2.00000
    143     -20.0074      2.00000
    144     -20.0004      2.00000
    145     -18.7111      2.00000
    146     -18.6661      2.00000
    147     -18.6435      2.00000
    148     -18.6224      2.00000
    149     -18.5795      2.00000
    150     -18.5747      2.00000
    151     -18.5682      2.00000
    152     -18.5277      2.00000
    153     -18.4841      2.00000
    154     -18.4663      2.00000
    155     -18.4368      2.00000
    156     -18.4033      2.00000
    157     -18.3903      2.00000
    158     -18.3336      2.00000
    159     -18.3182      2.00000
    160     -18.3116      2.00000
    161     -18.2852      2.00000
    162     -18.2572      2.00000
    163     -18.2426      2.00000
    164     -18.2188      2.00000
    165     -18.1859      2.00000
    166     -18.1711      2.00000
    167     -18.1652      2.00000
    168     -18.0760      2.00000
    169     -18.0365      2.00000
    170     -18.0335      2.00000
    171     -17.9969      2.00000
    172     -17.9782      2.00000
    173     -17.9406      2.00000
    174     -17.9088      2.00000
    175     -17.8689      2.00000
    176     -17.8616      2.00000
    177     -17.8254      2.00000
    178     -17.8106      2.00000
    179     -17.7829      2.00000
    180     -17.7412      2.00000
    181     -17.6552      2.00000
    182     -17.6096      2.00000
    183     -17.5956      2.00000
    184     -17.5846      2.00000
    185     -17.5654      2.00000
    186     -17.5543      2.00000
    187     -17.5435      2.00000
    188     -17.5303      2.00000
    189     -17.5021      2.00000
    190     -17.4857      2.00000
    191     -17.4289      2.00000
    192     -17.4257      2.00000
    193     -16.8135      2.00000
    194     -16.8086      2.00000
    195     -16.7519      2.00000
    196     -16.7395      2.00000
    197     -16.7011      2.00000
    198     -16.6784      2.00000
    199     -16.6521      2.00000
    200     -16.6275      2.00000
    201     -16.6065      2.00000
    202     -16.5683      2.00000
    203     -16.5424      2.00000
    204     -16.4810      2.00000
    205     -16.2227      2.00000
    206     -16.2179      2.00000
    207     -16.2138      2.00000
    208     -16.1633      2.00000
    209     -16.1460      2.00000
    210     -16.1231      2.00000
    211     -16.0928      2.00000
    212     -16.0688      2.00000
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    214     -16.0003      2.00000
    215     -15.9756      2.00000
    216     -15.8162      2.00000
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    218     -15.7792      2.00000
    219     -15.7378      2.00000
    220     -15.7158      2.00000
    221     -15.6881      2.00000
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    223     -15.6675      2.00000
    224     -15.6549      2.00000
    225     -15.6463      2.00000
    226     -15.6137      2.00000
    227     -15.5819      2.00000
    228     -15.5404      2.00000
    229     -15.5358      2.00000
    230     -15.5352      2.00000
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    232     -15.5114      2.00000
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    238     -15.4383      2.00000
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    240     -15.4079      2.00000
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    250     -15.2975      2.00000
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    255     -15.2304      2.00000
    256     -15.2199      2.00000
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    263     -15.1318      2.00000
    264     -15.1266      2.00000
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    290     -13.6069      2.00000
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   1513       5.7174      0.00000
   1514       5.7334      0.00000
   1515       5.7405      0.00000
   1516       5.7530      0.00000
   1517       5.7542      0.00000
   1518       5.7763      0.00000
   1519       5.7816      0.00000
   1520       5.7933      0.00000
   1521       5.8000      0.00000
   1522       5.8190      0.00000
   1523       5.8291      0.00000
   1524       5.8303      0.00000
   1525       5.8410      0.00000
   1526       5.8440      0.00000
   1527       5.8505      0.00000
   1528       5.8634      0.00000
   1529       5.8697      0.00000
   1530       5.8830      0.00000
   1531       5.8908      0.00000
   1532       5.8965      0.00000
   1533       5.9080      0.00000
   1534       5.9089      0.00000
   1535       5.9318      0.00000
   1536       5.9425      0.00000
   1537       5.9509      0.00000
   1538       5.9539      0.00000
   1539       5.9637      0.00000
   1540       5.9839      0.00000
   1541       5.9932      0.00000
   1542       5.9980      0.00000
   1543       6.0049      0.00000
   1544       6.0190      0.00000
   1545       6.0209      0.00000
   1546       6.0358      0.00000
   1547       6.0501      0.00000
   1548       6.0604      0.00000
   1549       6.0673      0.00000
   1550       6.0785      0.00000
   1551       6.0867      0.00000
   1552       6.0920      0.00000
   1553       6.0932      0.00000
   1554       6.1160      0.00000
   1555       6.1245      0.00000
   1556       6.1274      0.00000
   1557       6.1352      0.00000
   1558       6.1492      0.00000
   1559       6.1570      0.00000
   1560       6.1618      0.00000
   1561       6.1664      0.00000
   1562       6.1735      0.00000
   1563       6.1908      0.00000
   1564       6.1943      0.00000
   1565       6.2008      0.00000
   1566       6.2138      0.00000
   1567       6.2228      0.00000
   1568       6.2296      0.00000
   1569       6.2372      0.00000
   1570       6.2415      0.00000
   1571       6.2456      0.00000
   1572       6.2641      0.00000
   1573       6.2713      0.00000
   1574       6.2779      0.00000
   1575       6.2882      0.00000
   1576       6.3198      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.084  13.407  -0.001   0.001  -0.000   0.001  -0.005   0.001
 13.407  17.824  -0.001   0.002  -0.000   0.002  -0.006   0.001
 -0.001  -0.001  -4.228   0.002   0.000   8.269  -0.004  -0.000
  0.001   0.002   0.002  -4.229   0.001  -0.004   8.269  -0.001
 -0.000  -0.000   0.000   0.001  -4.221  -0.000  -0.001   8.259
  0.001   0.002   8.269  -0.004  -0.000 -18.301   0.006   0.000
 -0.005  -0.006  -0.004   8.269  -0.001   0.006 -18.298   0.001
  0.001   0.001  -0.000  -0.001   8.259   0.000   0.001 -18.290
 total augmentation occupancy for first ion, spin component:           1
  8.607  -3.896   0.185   0.142  -0.038   0.024   0.026  -0.006
 -3.896   1.837  -0.093  -0.095   0.020  -0.010  -0.016   0.004
  0.185  -0.093   1.793  -0.055  -0.014   0.170  -0.010  -0.003
  0.142  -0.095  -0.055   1.931  -0.074  -0.010   0.182  -0.010
 -0.038   0.020  -0.014  -0.074   1.226  -0.003  -0.010   0.081
  0.024  -0.010   0.170  -0.010  -0.003   0.018  -0.001  -0.000
  0.026  -0.016  -0.010   0.182  -0.010  -0.001   0.019  -0.001
 -0.006   0.004  -0.003  -0.010   0.081  -0.000  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -56548.32063114479.55050 38002.36112-12757.03872  6666.65857 27642.77474
  Hartree -1278.11671141519.31704 76181.49427-13164.47550  4495.65560 22052.07610
  E(xc)  -10745.34682-10606.13989-10646.99218     2.74963     8.63811    29.87715
  Local   24442.96289************************ 25920.14058-11173.27721-49134.91263
  n-local -5866.35878 -5974.59162 -6042.14417     5.93736    15.80328   -53.74822
  augment  1488.94783  1536.45260  1484.46792     3.78768    12.15184    -2.90946
  Kinetic 45646.22320 43250.25551 43846.68747   -44.66588  -118.04079  -549.22175
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       47.8496926   -426.7300207     -7.4293449    -33.5648454    -92.4105955    -16.0640642
  in kB        7.9793192    -71.1606467     -1.2389027     -5.5972066    -15.4102065     -2.6788113
  external PRESSURE =     -21.4734100 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.300E+03 -.120E+03 0.254E+03   0.300E+03 0.120E+03 -.255E+03   0.738E-01 -.770E+00 0.134E+01   0.468E-03 0.149E-03 0.967E-03
   -.264E+03 -.143E+03 0.430E+02   0.264E+03 0.143E+03 -.424E+02   -.636E-01 -.137E+01 -.199E+00   0.965E-03 0.704E-04 0.494E-03
   -.222E+03 -.138E+03 0.310E+00   0.222E+03 0.140E+03 0.158E+01   0.263E+00 -.117E+01 -.142E+01   0.114E-02 -.247E-03 0.320E-03
   -.269E+03 -.110E+03 0.361E+03   0.269E+03 0.110E+03 -.363E+03   0.110E+00 -.234E-01 0.231E+01   0.171E-03 0.379E-03 0.671E-03
   -.225E+03 -.159E+03 0.319E+03   0.225E+03 0.160E+03 -.320E+03   0.215E+00 -.566E+00 0.710E+00   0.326E-03 0.168E-03 0.415E-03
   -.196E+03 -.123E+03 0.176E+03   0.196E+03 0.123E+03 -.176E+03   0.121E+00 -.396E+00 0.151E+00   0.680E-03 0.127E-03 0.399E-03
   -.322E+03 -.142E+03 0.189E+03   0.322E+03 0.146E+03 -.190E+03   0.128E+00 -.470E+01 0.890E+00   -.496E-03 0.203E-02 0.295E-02
   -.251E+03 -.122E+03 0.151E+02   0.252E+03 0.127E+03 -.177E+02   -.783E+00 -.413E+01 0.198E+01   0.115E-02 0.211E-03 -.275E-03
   -.141E+03 0.486E+01 0.208E+03   0.141E+03 -.470E+01 -.208E+03   0.130E+00 0.308E+00 0.359E+00   0.396E-03 -.319E-03 0.224E-03
   -.121E+03 0.942E+02 0.706E+02   0.121E+03 -.960E+02 -.694E+02   0.292E+00 0.138E+01 -.939E+00   0.698E-03 -.806E-04 0.330E-03
   -.134E+03 0.128E+03 0.137E+03   0.134E+03 -.129E+03 -.137E+03   0.360E+00 0.122E+01 0.200E+00   0.437E-03 -.400E-03 0.349E-03
   -.148E+03 0.779E+01 0.347E+03   0.149E+03 -.823E+01 -.349E+03   -.261E+00 0.218E+00 0.881E+00   -.216E-03 -.412E-03 0.294E-03
   -.147E+03 -.267E+02 0.385E+03   0.148E+03 0.279E+02 -.387E+03   0.230E-01 -.984E+00 0.201E+01   -.495E-03 -.107E-02 0.646E-03
   -.154E+03 0.440E+02 0.323E+03   0.154E+03 -.440E+02 -.324E+03   0.252E+00 0.323E-01 0.149E+01   0.113E-03 -.506E-03 0.110E-02
   -.174E+03 0.119E+03 0.300E+03   0.174E+03 -.121E+03 -.304E+03   0.423E+00 0.411E+01 0.232E+01   -.322E-03 -.299E-02 0.229E-02
   -.144E+03 0.152E+03 0.105E+03   0.143E+03 -.156E+03 -.108E+03   0.474E+00 0.335E+01 0.344E+01   0.515E-03 -.346E-03 -.376E-03
   -.144E+03 0.132E+03 0.632E+02   0.145E+03 -.128E+03 -.594E+02   -.587E+00 -.508E+01 -.399E+01   0.573E-03 -.324E-03 0.948E-03
   -.704E+02 0.219E+03 -.163E+03   0.698E+02 -.221E+03 0.165E+03   0.558E+00 0.187E+01 -.160E+01   0.867E-03 -.416E-03 -.198E-03
   -.381E+02 0.156E+03 -.211E+03   0.375E+02 -.156E+03 0.213E+03   0.854E+00 0.287E+00 -.194E+01   0.120E-02 -.248E-03 -.473E-03
   -.132E+03 0.134E+03 0.189E+03   0.133E+03 -.133E+03 -.192E+03   -.112E+01 -.113E+01 0.315E+01   0.597E-03 -.801E-03 0.131E-02
   -.670E+02 0.982E+02 -.116E+01   0.656E+02 -.100E+03 0.242E+01   0.132E+01 0.164E+01 -.874E+00   0.543E-03 -.186E-03 0.112E-02
   -.646E+02 0.325E+02 -.159E+03   0.647E+02 -.331E+02 0.160E+03   -.286E+00 0.292E-01 -.490E+00   0.104E-02 -.171E-03 -.197E-04
   -.852E+02 -.281E+02 -.208E+03   0.856E+02 0.284E+02 0.207E+03   -.195E+00 -.229E+00 0.601E+00   0.125E-02 0.154E-03 -.862E-03
   -.586E+02 -.833E+02 -.274E+03   0.597E+02 0.854E+02 0.273E+03   -.616E+00 -.175E+01 0.103E+01   0.144E-02 0.854E-04 -.193E-02
   -.381E+02 -.155E+03 -.380E+03   0.378E+02 0.156E+03 0.382E+03   0.251E+00 -.625E+00 -.156E+01   0.143E-02 0.543E-03 -.160E-02
   -.144E+03 -.168E+03 -.191E+03   0.145E+03 0.168E+03 0.189E+03   -.812E+00 -.316E+00 0.224E+01   0.819E-03 -.708E-04 -.414E-03
   -.115E+03 -.300E+03 -.226E+03   0.115E+03 0.301E+03 0.226E+03   -.358E-01 -.806E+00 0.267E+00   0.889E-03 0.191E-04 -.104E-02
   -.642E+02 -.264E+03 -.335E+03   0.643E+02 0.265E+03 0.336E+03   -.200E+00 -.127E+01 -.519E+00   0.114E-02 0.584E-03 -.115E-02
   -.448E+02 -.234E+02 -.276E+03   0.500E+02 0.322E+02 0.272E+03   -.493E+01 -.878E+01 0.423E+01   0.130E-02 -.795E-03 -.338E-02
   -.690E+02 0.667E+02 0.370E+02   0.645E+02 -.762E+02 -.336E+02   0.445E+01 0.954E+01 -.423E+01   -.228E-02 0.191E-02 0.183E-02
   -.198E+03 -.341E+02 -.583E+02   0.198E+03 0.340E+02 0.602E+02   0.134E+00 -.235E+00 -.194E+01   0.864E-03 0.538E-04 -.542E-03
   -.139E+03 -.159E+03 0.115E+03   0.138E+03 0.161E+03 -.115E+03   0.693E-01 -.149E+01 -.721E+00   0.559E-03 0.327E-04 -.719E-03
   -.164E+03 -.158E+03 0.154E+03   0.164E+03 0.160E+03 -.155E+03   0.875E-01 -.158E+01 0.788E+00   0.534E-03 0.545E-03 -.460E-03
   -.315E+03 0.734E+01 -.170E+03   0.315E+03 -.943E+01 0.173E+03   0.614E+00 0.187E+01 -.300E+01   0.992E-03 0.574E-03 -.616E-04
   -.306E+03 -.699E+02 -.197E+03   0.306E+03 0.700E+02 0.198E+03   0.287E+00 -.206E+00 -.107E+01   0.626E-03 0.551E-03 0.415E-03
   -.234E+03 -.652E+02 -.281E+02   0.234E+03 0.650E+02 0.281E+02   0.268E+00 -.747E-01 -.345E+00   0.497E-03 0.792E-03 0.995E-04
   -.938E+02 -.607E+02 -.319E+02   0.935E+02 0.634E+02 0.357E+02   -.124E+00 -.419E+01 -.312E+01   0.884E-03 0.770E-03 -.159E-02
   -.496E+02 -.162E+03 0.107E+03   0.494E+02 0.166E+03 -.103E+03   0.224E+00 -.349E+01 -.398E+01   0.216E-03 -.676E-03 0.497E-03
   -.201E+03 0.510E+02 -.400E+02   0.201E+03 -.509E+02 0.401E+02   0.216E+00 0.529E+00 -.300E+00   0.136E-03 0.644E-03 -.123E-03
   -.106E+03 0.717E+02 0.167E+03   0.106E+03 -.729E+02 -.169E+03   -.100E-01 0.134E+01 0.171E+01   -.193E-03 0.773E-03 -.458E-03
   -.522E+02 0.899E+02 0.958E+02   0.521E+02 -.911E+02 -.966E+02   0.129E+00 0.145E+01 -.113E+00   -.520E-03 0.297E-03 -.293E-03
   -.226E+03 0.871E+02 -.246E+03   0.226E+03 -.882E+02 0.247E+03   0.100E+00 0.718E+00 -.797E+00   -.442E-04 0.329E-03 -.313E-04
   -.182E+03 0.451E+02 -.321E+03   0.182E+03 -.453E+02 0.324E+03   -.772E-01 0.942E-01 -.198E+01   -.215E-03 -.148E-03 -.751E-03
   -.963E+02 0.668E+02 -.177E+03   0.962E+02 -.674E+02 0.178E+03   -.327E-01 0.109E+01 -.140E+01   -.318E-03 0.546E-03 -.997E-03
   -.321E+02 0.115E+03 -.120E+03   0.312E+02 -.119E+03 0.122E+03   0.723E+00 0.486E+01 -.620E+00   -.106E-03 -.115E-02 -.311E-02
   0.313E+02 0.962E+02 0.117E+03   -.328E+02 -.101E+03 -.113E+03   0.131E+01 0.430E+01 -.193E+01   -.981E-03 0.226E-03 0.257E-03
   0.614E+02 0.628E+02 0.957E+02   -.603E+02 -.571E+02 -.973E+02   -.127E+01 -.558E+01 0.191E+01   -.107E-02 -.778E-03 -.158E-03
   0.218E+02 0.147E+03 0.285E+03   -.207E+02 -.149E+03 -.288E+03   -.107E+01 0.137E+01 0.242E+01   -.167E-02 0.113E-04 0.789E-03
   -.102E+02 0.140E+03 0.242E+03   0.114E+02 -.140E+03 -.244E+03   -.641E+00 -.440E+00 0.210E+01   -.173E-02 0.316E-03 0.915E-03
   0.698E+02 0.856E+02 -.646E+02   -.705E+02 -.860E+02 0.679E+02   0.686E+00 0.210E+00 -.341E+01   -.613E-03 -.319E-03 -.686E-03
   0.277E+02 0.478E+02 0.731E+00   -.270E+02 -.493E+02 -.260E+01   -.928E+00 0.114E+01 0.167E+01   -.244E-04 0.220E-03 -.655E-03
   0.143E+02 0.332E+02 0.928E+02   -.139E+02 -.329E+02 -.938E+02   -.528E+00 -.470E+00 0.548E+00   -.511E-03 0.420E-03 0.281E-03
   -.107E+03 -.200E+02 0.438E+02   0.107E+03 0.201E+02 -.434E+02   0.532E-01 0.580E-02 -.621E+00   -.584E-03 0.126E-03 0.926E-03
   -.250E+03 -.346E+02 0.131E+03   0.250E+03 0.358E+02 -.129E+03   0.616E+00 -.809E+00 -.167E+01   -.165E-02 0.750E-04 0.139E-02
   -.319E+03 -.881E+02 0.185E+03   0.320E+03 0.885E+02 -.188E+03   -.123E+01 0.134E+00 0.314E+01   -.699E-03 0.454E-03 0.137E-02
   -.110E+03 -.145E+03 -.121E+03   0.109E+03 0.144E+03 0.123E+03   0.702E+00 0.357E+00 -.175E+01   0.597E-03 -.339E-03 0.223E-03
   -.154E+03 -.151E+03 -.175E+03   0.154E+03 0.153E+03 0.178E+03   0.672E+00 -.147E+01 -.250E+01   0.909E-03 -.557E-04 0.194E-03
   -.251E+03 -.668E+02 0.398E+02   0.251E+03 0.607E+02 -.381E+02   0.590E+00 0.607E+01 -.210E+01   0.233E-03 0.657E-03 0.120E-02
   -.260E+03 0.102E+02 0.183E+03   0.257E+03 -.430E+01 -.175E+03   0.230E+01 -.638E+01 -.840E+01   -.373E-02 -.945E-03 0.292E-02
   -.410E+02 0.114E+02 -.915E+02   0.438E+02 -.190E+02 0.837E+02   -.288E+01 0.720E+01 0.785E+01   0.197E-02 0.974E-03 -.130E-02
   -.433E+03 -.692E+02 0.834E+02   0.434E+03 0.686E+02 -.850E+02   -.926E-01 -.651E+00 0.116E+01   0.940E-03 0.224E-03 -.215E-03
   -.436E+03 -.983E+02 -.911E+02   0.437E+03 0.988E+02 0.918E+02   -.559E+00 -.135E+01 -.169E+00   0.651E-03 -.149E-03 0.284E-05
   -.379E+03 -.105E+03 -.125E+03   0.379E+03 0.107E+03 0.127E+03   0.294E+00 -.689E+00 -.136E+01   0.525E-03 -.480E-03 0.212E-04
   -.356E+03 -.724E+02 0.181E+03   0.356E+03 0.725E+02 -.183E+03   0.180E+00 0.173E+00 0.209E+01   0.599E-03 -.759E-03 0.364E-03
   -.298E+03 -.121E+03 0.138E+03   0.298E+03 0.121E+03 -.139E+03   0.256E+00 -.627E+00 0.566E+00   0.212E-03 -.705E-03 0.615E-03
   -.310E+03 -.899E+02 0.134E+02   0.311E+03 0.895E+02 -.131E+02   0.382E-01 -.406E+00 0.387E+00   0.218E-03 -.331E-03 0.124E-03
   -.455E+03 -.123E+03 -.191E+01   0.455E+03 0.130E+03 0.460E+01   -.717E-01 -.425E+01 0.782E+00   0.116E-02 -.256E-03 0.555E-03
   -.444E+03 -.909E+02 -.608E+02   0.445E+03 0.950E+02 0.585E+02   -.106E+01 -.412E+01 0.209E+01   0.774E-03 -.577E-03 -.164E-02
   -.256E+03 0.371E+02 0.407E+02   0.256E+03 -.370E+02 -.407E+02   0.103E-01 0.325E+00 0.332E+00   -.166E-03 -.749E-03 0.370E-03
   -.287E+03 0.122E+03 -.544E+02   0.287E+03 -.124E+03 0.557E+02   0.663E-01 0.157E+01 -.101E+01   -.156E-03 -.414E-03 0.304E-03
   -.296E+03 0.144E+03 0.107E+02   0.296E+03 -.146E+03 -.108E+02   0.206E+00 0.162E+01 0.412E+00   -.345E-03 -.647E-03 0.407E-03
   -.208E+03 0.388E+02 0.143E+03   0.208E+03 -.392E+02 -.145E+03   -.208E+00 0.259E+00 0.953E+00   -.516E-03 -.938E-03 0.831E-03
   -.209E+03 -.129E+02 0.160E+03   0.209E+03 0.141E+02 -.162E+03   -.814E-01 -.108E+01 0.225E+01   -.677E-03 -.149E-02 0.131E-02
   -.275E+03 0.466E+02 0.142E+03   0.275E+03 -.467E+02 -.144E+03   0.167E+00 0.303E+00 0.156E+01   -.271E-03 -.785E-03 0.113E-02
   -.320E+03 0.996E+02 0.139E+03   0.320E+03 -.102E+03 -.142E+03   0.941E-01 0.447E+01 0.243E+01   -.510E-03 -.271E-02 0.210E-02
   -.332E+03 0.162E+03 0.732E+02   0.332E+03 -.166E+03 -.762E+02   -.396E-01 0.370E+01 0.381E+01   -.681E-03 -.426E-03 -.961E-04
   -.329E+03 0.106E+03 0.106E+03   0.329E+03 -.101E+03 -.103E+03   0.103E+00 -.469E+01 -.403E+01   -.726E-03 -.102E-02 0.667E-03
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   -.492E+03 0.575E+02 -.346E+03   0.526E+03 -.609E+02 0.389E+03   -.341E+02 0.328E+01 -.434E+02   -.666E-03 0.235E-02 -.292E-03
   0.115E+03 0.554E+03 -.566E+02   -.133E+03 -.595E+03 0.558E+02   0.189E+02 0.421E+02 0.166E+01   -.552E-03 0.154E-02 -.611E-03
   -.272E+03 -.436E+02 0.207E+03   0.295E+03 0.409E+02 -.255E+03   -.225E+02 0.359E+01 0.476E+02   -.378E-03 0.310E-02 0.609E-03
   -.394E+03 -.350E+03 0.168E+03   0.416E+03 0.380E+03 -.204E+03   -.220E+02 -.296E+02 0.359E+02   -.192E-02 -.164E-02 0.152E-02
   0.214E+03 -.531E+03 -.226E+03   -.240E+03 0.564E+03 0.259E+03   0.266E+02 -.332E+02 -.325E+02   -.153E-02 -.654E-03 0.581E-03
   -.421E+03 -.140E+03 -.145E+02   0.460E+03 0.122E+03 0.451E+02   -.394E+02 0.185E+02 -.315E+02   -.308E-03 -.645E-03 0.691E-03
   0.950E+03 -.316E+02 -.185E+03   -.994E+03 0.530E+02 0.164E+03   0.442E+02 -.216E+02 0.210E+02   0.377E-02 0.156E-02 -.796E-03
   0.523E+03 0.479E+03 0.577E+02   -.509E+03 -.508E+03 -.962E+02   -.142E+02 0.290E+02 0.386E+02   0.365E-02 0.154E-02 -.731E-03
   0.851E+03 0.312E+03 -.381E+03   -.867E+03 -.345E+03 0.416E+03   0.165E+02 0.337E+02 -.353E+02   0.368E-02 0.135E-02 -.231E-04
   0.479E+03 -.113E+03 -.603E+03   -.506E+03 0.130E+03 0.644E+03   0.268E+02 -.173E+02 -.417E+02   0.935E-03 -.664E-03 -.305E-02
   0.109E+03 -.356E+03 -.294E+02   -.767E+02 0.394E+03 0.142E+02   -.324E+02 -.382E+02 0.151E+02   0.119E-03 0.256E-03 -.135E-02
   0.338E+03 0.143E+03 0.101E+03   -.373E+03 -.145E+03 -.141E+03   0.353E+02 0.256E+01 0.405E+02   0.125E-02 -.467E-03 -.772E-03
   -.291E+03 -.108E+03 -.338E+03   0.331E+03 0.110E+03 0.376E+03   -.395E+02 -.149E+01 -.384E+02   -.253E-02 0.119E-02 0.293E-03
   0.313E+03 0.301E+03 -.170E+03   -.342E+03 -.341E+03 0.185E+03   0.294E+02 0.397E+02 -.145E+02   0.122E-02 -.173E-02 0.954E-03
   -.131E+03 0.371E+02 0.131E+03   0.155E+03 -.543E+02 -.176E+03   -.236E+02 0.176E+02 0.451E+02   -.208E-02 0.576E-03 0.118E-03
   -.324E+03 -.421E+03 0.410E+03   0.352E+03 0.454E+03 -.440E+03   -.274E+02 -.333E+02 0.304E+02   -.152E-02 -.532E-03 -.546E-03
   0.166E+03 -.508E+03 -.103E+03   -.197E+03 0.537E+03 0.135E+03   0.313E+02 -.290E+02 -.322E+02   -.372E-03 -.517E-03 -.661E-03
   -.310E+03 -.114E+03 -.164E+02   0.344E+03 0.927E+02 0.506E+02   -.335E+02 0.213E+02 -.346E+02   -.214E-02 0.861E-04 -.302E-03
   -.287E+02 -.953E+02 0.862E+03   0.809E-01 0.117E+03 -.901E+03   0.291E+02 -.223E+02 0.397E+02   0.405E-02 -.321E-03 0.383E-02
   -.243E+03 0.180E+03 0.669E+03   0.283E+03 -.203E+03 -.693E+03   -.404E+02 0.239E+02 0.229E+02   0.319E-02 -.911E-03 0.776E-03
   0.120E+03 0.402E+03 0.298E+03   -.152E+03 -.436E+03 -.278E+03   0.319E+02 0.342E+02 -.203E+02   0.224E-02 -.900E-03 0.243E-02
 -----------------------------------------------------------------------------------------------
   -.864E+01 -.222E+01 -.132E+02   -.256E-10 0.159E-11 0.409E-11   0.872E+01 0.219E+01 0.132E+02   -.773E-01 0.264E-01 0.670E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.80695      3.17102      1.41959         0.309846     -0.382264     -0.343077
     12.64355      3.61124      2.71930         0.050315     -0.500187      0.431586
     12.61023      4.97740      3.02335         0.058559      0.460861      0.473838
     12.87453      4.07681      0.37566         0.236546     -0.230258     -0.334699
     12.88155      5.43055      0.68877         0.130362      0.388050     -0.387414
     12.77748      5.95886      1.99600        -0.001507     -0.695058      0.073109
     12.86095      1.68800      1.38672         0.459552     -0.787020     -0.841704
     12.44017      2.36055      3.57439         0.098994      0.110669     -0.560146
     12.87079      7.43706      2.22149         0.175085      0.467042      0.280182
     12.79934      8.05631      3.50057         0.046495     -0.395717      0.219099
     13.08759      9.41439      3.64910         0.152825      0.239641      0.488304
     13.14019      8.32871      1.15331         0.041146     -0.222105     -0.491489
     13.32596      9.70430      1.29504         0.300163      0.169882     -0.710173
     13.32453     10.24079      2.56762         0.362570      0.087819     -0.153640
     13.58094     11.62018      3.03689         0.121417      2.259890     -1.345460
     13.22507     10.27672      4.87940         0.068921     -0.208169      0.357719
     13.63183     12.79531      5.30458         0.013191     -0.574870     -0.202201
     13.28480     12.70574      6.64705         0.012088      0.042601      0.296584
     13.32548     13.82081      7.46106         0.225235      0.361642      0.620286
     13.93161     14.09953      4.85344        -0.036113     -0.536378     -0.151262
     13.95150     15.22221      5.69647        -0.037455     -0.402574      0.381519
     13.68491     15.13861      7.09033        -0.167767     -0.549703      0.679288
     13.71765     16.25441      8.13440         0.147997      0.089866     -0.007871
     13.19227     16.19144      9.47887         0.512037      0.370616     -0.204868
     13.35525     17.27494     10.35808        -0.028264      0.036203      0.193507
     14.27294     17.52467      7.83565         0.101535     -0.170444      0.057083
     14.34783     18.61345      8.68855         0.113235      0.095519      0.000032
     13.92601     18.49881      9.99746        -0.107555     -0.137219      0.276291
     12.49313     15.00622     10.07781         0.202997      0.021465      0.291865
     14.41575     16.48442      5.07745        -0.005234      0.041241     -0.877283
      9.67866      3.85356      4.81448        -0.007032     -0.240911     -0.061647
      9.84983      4.79675      3.82395        -0.137964     -0.200214     -0.641431
      9.99917      6.14085      4.13641        -0.040511      0.556466     -0.153009
      9.61214      4.22190      6.13319         0.062931     -0.213969      0.373440
      9.70581      5.56777      6.45364        -0.004651     -0.123351      0.414004
      9.92819      6.56954      5.49050        -0.051630     -0.332176     -0.356338
      9.56440      2.51076      4.23443        -0.405322     -1.472490      0.689742
      9.87128      4.05696      2.51528        -0.019401      0.002483     -0.640105
     10.04828      7.99022      5.87917         0.114385      0.615067     -0.215836
     10.30055      8.98612      4.90321        -0.088308      0.109679     -0.160130
     10.34706     10.32292      5.27751         0.021729      0.277553     -0.945462
      9.90608      8.44641      7.20898        -0.099233     -0.362106      0.300268
     10.02330      9.78776      7.57845        -0.207353     -0.096982      0.688987
     10.23748     10.72359      6.59112        -0.098340      0.518904     -0.006085
     10.38017     12.19413      6.66161        -0.101819      1.047702      1.098985
     10.59372     11.55699      4.42459        -0.120972     -0.411164      2.735967
     10.92223     14.04572      4.98515        -0.202239      0.176218      0.308756
     11.39187     14.39556      3.71892         0.014914      0.007119     -0.253228
     11.71686     15.71470      3.43372         0.568675      0.266851     -0.019975
     10.87689     15.12271      5.91176        -0.020506     -0.140116     -0.091311
     11.14922     16.47935      5.59129        -0.137227     -0.392881     -0.206352
     11.59358     16.84855      4.27499        -0.128943     -0.156466     -0.424472
     12.01999     18.23627      3.77330         0.057469      0.034109     -0.153448
     12.49926     18.58470      2.44940         0.137815      0.414667      0.531904
     12.65810     19.95772      2.14265        -0.068593      0.595944     -0.039560
     11.90516     19.35828      4.62256         0.015227     -0.251086      0.173153
     12.08195     20.70385      4.33506         0.105577     -0.157236      0.187919
     12.47363     21.05978      3.05198         0.012248     -0.068325     -0.349431
     12.79655     17.61525      1.27056         0.043992     -0.457029     -0.223286
     10.88365     17.46131      6.72876        -0.104926     -0.431946      0.036293
     10.13556      7.17797     14.59704         0.112377     -1.260396     -0.446008
     10.03632      7.61410     15.90303        -0.193429     -0.822989      0.594476
     10.01027      8.96620     16.20879         0.183233      1.149600      0.573229
     10.17830      8.08602     13.55868         0.122292      0.280909     -0.256413
     10.20439      9.45766     13.88130         0.180280     -0.059243     -0.713984
     10.15172      9.97479     15.18705         0.104826     -0.795143      0.658746
     10.04360      5.64301     14.55073        -0.051517      3.292974      3.474270
      9.75281      6.38462     16.77497         0.237982     -0.058562     -0.201197
     10.23915     11.45420     15.48036         0.144778      0.354158      0.341791
     10.16855     12.02459     16.78925         0.047909     -0.517549      0.215328
     10.35725     13.39763     16.99252         0.211624      0.205324      0.373121
     10.45650     12.39357     14.44305         0.127576     -0.109653     -0.506001
     10.60247     13.76853     14.63962         0.264956      0.186521     -0.575966
     10.56092     14.26130     15.93210         0.340135      0.125861     -0.218557
     10.69751     15.64924     16.41844         0.104784      1.847155     -0.612132
     10.34510     14.25570     18.23612         0.083483      0.268003      0.818917
     10.52052     16.84201     18.66447         0.226476      0.152782     -0.171045
     10.15677     16.77860     20.00003         0.017025      0.109660      0.329083
      9.99972     17.94394     20.74530         0.011839      0.281571      0.409601
     10.74340     18.18553     18.20325         0.290824     -0.506566     -0.131117
     10.71543     19.34291     19.01243        -0.018418     -0.694697      0.554141
     10.30602     19.28571     20.39876        -0.055771     -0.508032      0.104877
     10.16730     20.43015      0.16060         0.291211      0.305872     -0.166337
      9.73005     20.34229      1.52937        -0.248740      0.135535     -0.332925
      9.63907      0.20496      2.36634         0.051859      0.109162     -0.272936
     10.51534      0.52085     21.12078         0.346254     -0.357307     -0.425467
     10.27315      1.66100      0.61429        -0.202927      0.036512     -0.097252
      9.82636      1.53118      1.92905        -0.052917      0.416675      0.132487
      9.30659     19.07659      2.21836         0.542987     -0.255059      0.102179
     11.08058     20.64128     18.37571         0.383831      0.234826     -0.366526
      7.04666      7.62852     17.53927         0.055878      0.043513      0.041793
      7.18655      8.58466     16.54980        -0.060897     -0.084345     -0.568735
      7.39011      9.92846     16.86379        -0.125333      0.570640     -0.211759
      7.07167      8.00034     18.87294         0.107172     -0.295007      0.180840
      7.12424      9.35570     19.17721        -0.011547      0.141599      0.417850
      7.28877     10.37838     18.20950        -0.011052     -0.423023     -0.503051
      6.88729      6.29845     16.92912        -0.313516     -1.541180      0.248206
      7.17356      7.86559     15.21419         0.178922     -0.643695      0.654680
      7.32131     11.82115     18.58876         0.036801      0.652451     -0.162346
      7.54645     12.89885     17.67775        -0.127147     -0.222511     -0.426324
      7.48732     14.22437     18.11087        -0.093562      0.572758     -0.586820
      7.08755     12.21761     19.91493        -0.069402     -0.231281      0.380678
      7.07172     13.54284     20.35019        -0.022500      0.018505      0.414518
      7.25890     14.55484     19.43716        -0.119153      0.409234     -0.034875
      7.29343     16.03621     19.61447        -0.225222      0.481619      0.792344
      7.71594     15.53288     17.36196        -0.384186     -0.581363      1.794924
      7.75464     18.01108     18.06736        -0.312346      0.272381      0.241078
      8.37348     18.43700     16.89061        -0.095970     -0.285370     -0.033105
      8.65851     19.77536     16.68099         0.355752      0.361646      0.246395
      7.46482     19.06959     18.98413        -0.194758     -0.376891      0.168576
      7.60795     20.44574     18.67849         0.047294     -0.217155     -0.682610
      8.22446     20.88252     17.44896        -0.255670     -0.150181     -0.146734
      8.58879      1.05284     17.00222         0.093771     -0.196410     -0.176517
      9.02012      1.35816     15.67471         0.481104      0.632486      0.278253
      9.37324      2.72781     15.35656         0.153182      0.044342     -0.186417
      8.61501      2.18397     17.87495         0.201944     -0.414970      0.352492
      8.96864      3.49311     17.57178         0.118670      0.154474     -0.003973
      9.38757      3.82968     16.27397         0.138357     -0.192668     -0.333891
      9.27737      0.32534     14.52122         0.139612     -0.817765      0.687278
      7.14320      0.17013     19.72668        -0.600783     -0.468539      0.015595
      7.01379     10.85928      6.11799        -0.100456     -0.320955     -0.138277
      6.83338     11.34410      7.40509        -0.190290     -0.541621      0.393727
      6.95756     12.69611      7.71516        -0.104348      0.334637      0.374927
      7.36014     11.72362      5.09589        -0.076346     -0.227665     -0.314211
      7.48844     13.07687      5.40668        -0.012220      0.227867     -0.374879
      7.27980     13.63307      6.69028        -0.204438     -0.486494      0.229726
      6.87827      9.37520      6.11711         0.320569     -0.490012     -1.072706
      6.57388     10.14043      8.28617         0.109575      0.187991      0.703820
      7.38384     15.10529      6.92153        -0.145225      0.468722      0.322866
      7.12361     15.74739      8.16693        -0.191896     -0.545750      0.210403
      7.24624     17.13346      8.28145        -0.161108      0.475483      0.459838
      7.74420     15.97443      5.86899        -0.060878     -0.083215     -0.473572
      7.79623     17.35832      5.96891        -0.084449      0.369613     -0.309317
      7.55702     17.94540      7.20127        -0.111462      0.262179     -0.095973
      7.72055     19.36592      7.65140         0.257354      0.953960     -0.440982
      7.15617     18.03589      9.47871        -0.082741     -0.367528      1.738425
      7.49699     20.57745      9.89001         0.246812      0.313145     -0.089018
      7.04745     20.54781     11.21202         0.122612     -0.097822      0.087164
      6.90347      0.43979     11.97394        -0.317807      0.311266      0.157102
      7.87161      0.63456      9.47389         0.159074     -0.422854      0.023053
      7.90014      1.75864     10.35890        -0.087069     -0.679491      0.450766
      7.39761      1.74171     11.70359        -0.005288     -0.302727      0.160206
      7.35556      2.90658     12.76195         0.102954      0.345027     -0.033493
      6.87065      2.91971     14.11226        -0.275694     -1.122682      0.277616
      6.76921      4.01670     14.96840         0.139883     -0.188511      0.023831
      7.79657      4.22015     12.51884         0.121868      0.416095     -0.117729
      7.61871      5.38328     13.30495         0.323972     -0.174105     -0.365371
      7.09301      5.32066     14.59713         0.309270      0.949979     -0.186153
      6.22273      1.71075     14.74314         1.575644      0.159936     -2.086623
      8.48155      2.99802      9.81086         0.736689     -0.321473     -0.783018
      4.02584     11.51371     10.77606         0.119152     -0.326594      0.039892
      3.75532     12.40061      9.74494        -0.084027     -0.340478     -0.548419
      3.82223     13.77226      9.92636        -0.007808      0.438585     -0.211758
      4.36829     11.98497     12.02912         0.113135     -0.484994      0.305745
      4.42250     13.35991     12.22148         0.124701      0.166877      0.269510
      4.16743     14.29825     11.19937        -0.044026     -0.091107     -0.326712
      3.86687     10.12249     10.29453         0.002338     -1.088849      0.333563
      3.39240     11.58603      8.53687        -0.304552      0.009028     -1.083006
      4.26927     15.76716     11.43311        -0.025683      0.418701     -0.485592
      4.09741     16.70992     10.36971         0.056184      0.121135     -0.029514
      4.17700     18.08402     10.63385        -0.068213      0.102172     -0.578428
      4.58783     16.29378     12.70370         0.132305     -0.074446      0.180084
      4.74982     17.65575     12.93104         0.102263      0.059839      0.336500
      4.47724     18.53959     11.90917        -0.328260      0.203361     -0.386030
      4.45291     19.99330     11.90613         0.181408      2.905756      3.642025
      4.20865     19.30385      9.71187         0.070751     -0.385737      0.750031
      4.55583      0.61653     10.14097        -0.277567      0.242219      0.607381
      4.87090      0.93962      8.82126         0.000148     -0.048422     -0.120204
      5.21573      2.24860      8.47862         0.068788      0.392363     -0.316458
      4.53333      1.76163     11.00189        -0.131060     -0.400527     -0.142446
      4.81821      3.11331     10.63406        -0.220322     -0.197826     -0.460182
      5.30049      3.40844      9.30725         0.023467     -0.112502     -0.596088
      5.84596      4.80106      8.71364         0.287555     -0.131317      0.146774
      6.29556      5.09778      7.36606         0.378305      0.301839      0.844491
      6.56454      6.44631      7.01114         0.217847      0.397907      0.025213
      5.84083      5.96340      9.51070        -0.053904     -0.151457      0.249339
      6.12021      7.27897      9.17356        -0.079864      0.249260      0.031711
      6.46147      7.59362      7.86163        -0.068431     -0.511118     -0.170194
      6.40482      4.02209      6.27618         0.121623      0.069127     -0.143587
      4.63838      4.13194     11.77146        -0.290215     -0.885174      0.521331
      1.24869     14.36473      0.72419        -0.543137     -0.625260     -0.450008
      1.79595     14.77407      1.92449        -0.059684     -0.401951      0.331965
      1.71884     16.13436      2.26777         0.083969      0.791957      0.609231
      0.77171     15.25852     21.03010        -0.350670     -0.768066      0.044029
      0.78580     16.59044      0.09356        -0.126713      0.682694     -0.408708
      1.18315     17.11084      1.34238         0.116675     -0.664183      0.348357
      1.27246     12.88915      0.62088         0.721954      0.599187      0.728741
      2.40633     13.50275      2.55241         0.862168     -0.424306      2.052086
      1.05045     18.59899      1.54236        -0.048287      0.224355      0.596860
      1.40243     19.28606      2.74248         0.042178     -0.735809      0.242195
      1.23125     20.66217      2.82229         0.037762      0.394491      0.407780
      0.55011     19.42635      0.50323        -0.273531     -0.239168     -0.528971
      0.37859     20.80312      0.58635        -0.162465      0.170267     -0.234804
      0.71582      0.15128      1.77247        -0.183976      0.176712     -0.135908
      0.74163      1.59153      2.09545        -0.514035      0.943002     -0.725842
      1.62298      0.37803      3.89063         0.554342     -0.296615      1.110754
      1.49046      2.94228      4.07075        -0.234156     -0.094322     -0.385306
      2.04679      2.92313      5.33138        -0.185159      0.335674     -0.066215
      2.19812      4.10646      6.02065        -0.236573      0.180053      0.102432
      1.11318      4.23289      3.60690        -0.112173     -0.317451     -0.057282
      1.30740      5.42422      4.34124         0.121641     -0.739036      0.501903
      1.91756      5.44393      5.63383         0.111455     -0.289384      0.302908
      2.26562      6.67723      6.50594        -0.340164      0.043844     -0.305663
      2.81647      6.62529      7.79920        -0.368348     -0.565460     -0.105013
      3.27899      7.72198      8.54068        -0.464517      0.555417     -0.211450
      2.16284      8.03156      6.11752        -0.216022      0.406103     -0.529184
      2.58727      9.16082      6.81867         0.082067      0.465670     -0.348100
      3.15518      9.05323      8.09853        -0.100977      0.216379      0.094806
      3.01847      5.29718      8.45044        -0.123805      0.957614     -1.239239
      0.74887      6.65236      3.74517        -0.399527      0.458462     -0.786563
      4.65086     14.07026      0.72507         0.219107     -0.003198     -0.014101
      3.97459     14.98691     -0.07280         0.041807      0.001890     -0.235621
      3.96837     16.35392      0.29797        -0.135882      0.875839     -0.173734
      5.38816     14.51493      1.82232         0.215807     -0.414698     -0.038141
      5.41355     15.87036      2.13777         0.254119      0.372083      0.322617
      4.69710     16.87703      1.43468        -0.185943     -0.508910     -0.503531
      4.51189     12.70132      0.17165         0.107489     -1.029674      0.075153
      3.35712     14.16855     20.03933        -0.766136     -0.102516     -0.827682
      4.76312     18.35117      1.88463        -0.149035      0.455470     -0.199410
      4.08276     19.45798      1.26241        -0.206496     -0.630624     -0.531803
      4.22346     20.77404      1.72846        -0.024293      0.400064     -0.050149
      5.57184     18.74088      2.98806         0.152395     -0.546738      0.101108
      5.72331     20.04510      3.45852         0.191830      0.153904      0.259260
      5.02804     21.06030      2.82657         0.125389      0.169219     -0.006969
      5.03820      1.26240      3.10038         0.617796      1.107740      0.623171
      3.66172      0.84983      1.26138        -0.419427      0.573478     -0.841633
      3.85922      3.32979      2.13224         0.438854     -0.133762      0.135823
      2.99312      3.90984      1.20583         0.485810      0.004783     -0.094356
      2.74515      5.27624      1.18284        -0.576956      0.310207      0.067539
      4.32747      4.28248      3.07027         0.179860     -0.255885      0.084663
      4.10045      5.69018      2.97155        -0.163046     -0.593353     -0.769580
      3.37373      6.32960      1.95609        -0.586687      0.180683     -0.608442
      3.17876      7.99958      1.83064        -0.186362     -0.400759     -0.119671
      2.22008      8.62612      0.95997         0.830698     -0.469917      0.775302
      2.00844      9.99376      0.80764        -0.192179      0.379266      0.454978
      3.71601      9.00655      2.65968         0.066967      0.054488      0.715967
      3.34832     10.36825      2.66370         0.312019      0.677972      1.062415
      2.51520     10.97819      1.72104        -0.488353     -0.886196     -0.377595
      1.61493      7.66627      0.03938         0.289484     -0.389157     -1.145528
      4.73560      6.50830      3.99321         0.774243     -0.297541      1.363255
     18.29369     17.32311     13.36634        -0.341919     -0.361278      0.302972
     19.32182     17.82870     14.13792         0.397311     -0.281804      0.657402
     19.53845     19.19950     14.28436         0.021801     -0.007595      0.109017
     17.43842     18.19078     12.71089        -0.676981     -0.016464     -0.294997
     17.62630     19.56355     12.88821        -0.309573      0.169343     -0.207250
     18.65876     20.12678     13.66973         0.255008     -0.506728      0.135673
     18.30121     15.83977     13.45179        -1.235290     -1.431830     -0.535526
     20.08906     16.65052     14.71061        -1.923873      0.077707     -1.238706
     18.79764      0.33550     13.87315         0.133082      0.625197      0.303243
     19.84325      0.92610     14.64144         0.114023     -0.262381      0.259400
     19.80290      2.28790     14.94696         0.505957      0.427288      0.754463
     17.81416      1.23666     13.41078        -0.387973      0.115947     -0.225148
     17.80569      2.61256     13.67704        -0.551163      0.094832     -0.180438
     18.81341      3.13192     14.46759        -0.098308      0.487580      0.298591
     19.00426      4.51845     15.01398        -0.324122      0.998379     -0.297058
     20.64715      3.11670     15.91812        -0.635226     -0.069516     -0.110531
     20.71909      5.61937     16.60006        -0.086124     -0.058055     -0.012209
      0.75813      5.57666     17.11517         0.665296      0.666822      0.264952
      1.44729      6.76837     17.46743        -2.135483      0.179055     -0.598186
     20.17194      6.93444     16.59108        -0.492945     -0.436509     -0.343910
     20.76986      8.06862     17.19733         0.718252     -0.220539      0.647720
      0.85836      8.05574     17.71272         0.544444     -0.785844     -0.246198
      1.72888      9.19928     18.36102        -0.872254     -0.248910     -0.330993
      3.02697      9.10968     18.97871         0.303640      0.698636     -0.076036
      3.63768     10.24389     19.59114         0.549003     -0.396995      0.870223
      1.17298     10.45438     18.58680        -0.527434      1.257640     -0.016003
      1.83277     11.62399     19.05738        -0.070595     -0.379586     -0.245385
      3.10858     11.56812     19.62874        -0.666173     -0.059254     -0.551171
      3.91452      7.89086     18.93111        -1.300536     -1.623094     -0.606054
     19.88560      9.27019     17.33965        -0.801806     -0.638937      0.028639
      2.02397     18.14782     14.13469         0.440800     -0.115395     -0.225898
      1.28552     19.11524     13.49014        -0.494706     -0.049055     -0.502080
      1.42270     20.45912     13.78279        -0.205628      0.371202      0.149786
      3.02672     18.53692     15.00862         0.570153     -0.431751      0.470440
      3.26752     19.89894     15.19920         0.157109     -0.123785      0.463466
      2.41881     20.90404     14.68096        -0.373037     -0.081268     -0.049748
      1.69085     16.83457     13.56628         0.461250     -1.961945      1.332195
      0.39480     18.43254     12.50751        -0.210611     -0.467614     -0.603082
      2.58054      1.08712     14.99364        -0.468899      0.659380     -0.267689
      1.81574      2.08873     14.32085        -0.114246     -0.425796      0.074811
      2.10332      3.42562     14.53704        -0.975872      0.772480     -0.602300
      3.54851      1.55866     15.89293         0.051304     -0.087919      0.523535
      3.80619      2.92304     16.12911         0.288625     -0.589908      0.259113
      3.07905      3.83602     15.41312         0.144465      0.805860      0.005299
      3.13586      5.31593     15.44333         1.001509      0.979746      0.816575
      1.36049      4.67936     14.08094         2.519148     -0.358190      1.598610
      1.54961      7.21529     14.69023         0.301668     -0.130787     -0.469377
      0.29386      7.51828     14.16300        -0.602818      0.342104     -0.271789
     21.06172      8.83291     14.18003        -0.339470      0.070425      0.111341
      2.19630      8.35137     15.28490        -0.093528     -0.360171     -0.197068
      1.69991      9.68260     15.26646         0.089085     -0.498143     -0.336354
      0.42095      9.99599     14.69457        -0.161444      0.008442     -0.420982
     20.94009     11.34858     14.65990        -0.020849      0.067804      0.059720
     19.60264     11.59448     14.13594         0.408964      0.709283      0.328640
     19.16378     12.93037     14.01185         0.092282      0.440420      0.181203
      0.32109     12.54901     15.05826         0.268868     -0.149634     -0.229169
     -0.14847     13.86063     15.02042         0.376776     -0.463237      0.314857
     19.86400     14.09435     14.46310        -0.278131      0.132676      0.014069
     18.61770     10.57837     13.54955        -0.669175     -0.647243     -0.080588
      2.59767     10.72357     15.89241         0.085114     -0.218508     -0.075166
     16.13677      0.42742      5.15239        -0.088445     -0.323071      0.031507
     16.95900      0.91516      6.15823         0.281803     -0.345533      0.309366
     17.04588      2.27942      6.43698         0.128797      0.427390      0.422923
     15.29054      1.28711      4.48799        -0.256495     -0.130675     -0.187214
     15.34816      2.64679      4.79830        -0.319135      0.205684     -0.210004
     16.23562      3.21946      5.72956         0.153431     -0.547504      0.243310
     16.38151     20.23373      4.94753        -0.342943     -0.718724     -0.627975
     17.69190     20.98830      6.73763        -0.146944     -0.145315      0.315562
     16.27945      4.70030      5.96732         0.203966      0.305696      0.354567
     17.16053      5.31903      6.90025         0.094459     -0.528291      0.184901
     17.11510      6.69487      7.11411         0.201956      0.298022      0.472573
     15.40511      5.58640      5.30024        -0.300038     -0.114931     -0.336341
     15.37432      6.96558      5.50056        -0.234667      0.364701     -0.242255
     16.25426      7.52468      6.40964        -0.111062      0.248898     -0.031006
     16.43257      8.93790      6.85018        -0.559286      1.030618     -0.296744
     17.80175      7.55381      8.14204         0.458841     -0.392279      1.321295
     17.86410     10.09794      8.59881        -0.305247      0.213431     -0.165107
     18.88333      9.99227      9.53118        -0.124896      0.131717      0.078708
     19.43192     11.11773     10.12536         0.343765      0.176657      0.143001
     17.43412     11.44456      8.37250        -0.111164     -0.275669     -0.012012
     17.93022     12.56801      9.08359         0.242721     -0.644408      0.370264
     19.00530     12.46184     10.05676         0.036170     -0.206324     -0.099520
     19.74297     13.57892     10.84741        -0.581588      0.383907     -0.478319
     20.96382     13.49168     11.58785         0.166341      0.265615      0.077312
      0.36006     14.59744     12.13586        -0.218068      0.100988     -0.068068
     19.28720     14.92507     10.84740        -0.137316      0.080391     -0.107267
     19.96703     16.06262     11.33988        -0.533765     -0.137710     -0.219444
     21.18926     15.91812     12.01058        -0.276019      0.711763     -0.364827
      0.48866     12.25265     11.82493        -0.162941     -0.820214     -0.417172
     17.25506     13.86064      8.75666        -0.435918      0.096886     -0.093911
     20.30811      1.28303      6.16009        -0.005476     -0.273894     -0.139523
     19.76048      2.34293      5.43476        -0.134052     -0.098631     -0.421145
     19.82322      3.64628      5.87772         0.111987      0.078180     -0.030928
     20.84849      1.51374      7.41254         0.256069     -0.594623      0.183702
     20.92435      2.82778      7.85805         0.187856     -0.017340      0.338079
     20.46029      3.92606      7.11259        -0.342024      0.353770     -0.453892
     20.07350      0.02169      5.40156         0.720504     -1.088914      0.006943
     19.03484      1.77484      4.25011        -0.643370      0.611126     -0.907587
     20.61318      5.34236      7.53482        -0.318822      0.414050     -0.161041
     20.20596      6.38831      6.66451        -0.073157     -0.088614      0.277670
     20.46435      7.70886      7.01831        -0.344867      0.125096     -0.337557
     -0.08858      5.72469      8.76791        -0.180843     -0.411166      0.316881
      0.20243      7.03806      9.09700         0.128405      0.138058      0.492499
     21.12435      8.01450      8.19248        -0.143215      0.848543     -0.208719
      0.01598      9.47747      8.26754         1.520068      1.589145      2.159966
     20.07762      9.00143      6.34866        -0.376893     -0.356317     -0.252995
     20.34336     11.48165      6.96102         0.174333      0.242425     -0.107113
     19.50643     11.89062      5.91971        -0.046718     -0.063392     -0.368698
     19.20935     13.23038      5.70993        -0.136040      0.447335     -0.039568
     20.86339     12.57210      7.72701         0.156717     -0.280846     -0.181107
     20.62088     13.94637      7.44366        -0.141767     -0.500556     -0.362081
     19.70392     14.36245      6.42099        -0.336527     -0.255089     -0.649840
     19.16135     15.78542      6.12740         0.145001      0.294633      0.002816
     18.26898     16.19718      5.07034         0.371800      0.157214      0.302642
     17.77668     17.51564      4.97947         0.117372      0.183506     -0.072930
     19.44114     16.89934      6.96456         0.231543     -0.073143      0.118532
     18.91097     18.18412      6.92191         0.159144     -0.035018      0.085812
     17.99955     18.54100      5.93439        -0.031879     -0.212832     -0.360394
     17.75097     15.24567      4.01671         0.047565      0.397682     -0.072178
      0.11322     14.95586      8.26548         0.556156     -0.496319     -0.165335
     12.37346      5.28456      4.05146         0.389121     -0.093414     -0.203797
     12.92325      3.72989     20.59034         0.088140      0.153791      0.310861
     12.99126      6.10168     21.10008        -0.088870      0.151257     -0.034932
     12.48884      7.48371      4.38055         0.303442     -0.011925     -0.040251
     13.24581      7.94016      0.13944        -0.080489     -0.027056      0.037670
     13.55063     10.33029      0.41299        -0.168081     -0.229225      0.340322
     13.05412     13.57834      8.48122         0.229108      0.128093     -0.556060
     12.86847     11.82611      7.12877         0.462770     -0.297504     -0.284630
     14.03424     14.26072      3.79229         0.446451     -0.018188     -0.180742
     13.00126     17.13432     11.37371        -0.109051      0.084400      0.159397
     14.55796     17.81368      6.84350         0.341378     -0.387815      0.450461
     14.69604     19.55403      8.24649         0.095634     -0.035781      0.306498
     10.20601      6.85249      3.33125        -0.240768     -0.083568      0.063872
      9.40707      3.45606      6.87333         0.338966      0.295133     -0.116636
      9.55159      5.81912      7.50008         0.168565      0.169450      0.096074
     10.53641      8.71380      3.87198        -0.466832      0.141708      0.077611
      9.65743      7.73922      8.00443         0.125919     -0.017039     -0.085311
      9.89853     10.09766      8.62670         0.086907     -0.126076     -0.242717
     12.30429     15.76476      2.52518        -0.377540      0.203970      0.261966
     11.71025     13.67250      2.96140        -0.460852      0.018555      0.243032
     10.74124     14.87633      6.95529        -0.455219      0.027366      0.058490
     12.73799     20.21590      1.09664         0.631012      0.008667     -0.109356
     11.69054     19.23782      5.66741        -0.125353     -0.133977     -0.308594
     11.83859      0.14202      5.14581         0.289153      0.018863     -0.421711
      9.79063      9.28665     17.24186         0.432569     -0.257222     -0.282331
     10.12806      7.76135     12.50509         0.190163      0.139601      0.395126
     10.26142     10.12237     13.02183        -0.045536      0.216596      0.009920
      9.88694     11.40347     17.64577         0.349868      0.020802     -0.027226
     10.55078     12.05212     13.41085        -0.052784     -0.081868      0.029823
     10.80576     14.44219     13.78882        -0.175180     -0.276718      0.272255
      9.70524     17.67659      0.48570        -0.237836      0.323973     -0.509152
      9.96774     15.86009     20.56175         0.076062     -0.009142     -0.487838
     10.84212     18.32774     17.13578         0.620151      0.014789     -0.044254
      9.58412      0.02987      3.42275        -0.652815     -0.007090      0.319671
     11.02331      0.79202     20.20475        -0.046259     -0.325094      0.510476
     10.51448      2.61227      0.12483        -0.196850     -0.146632      0.450377
      7.71827     10.61694     16.07414        -0.556477     -0.061315      0.057316
      6.93283      7.24268     19.65550         0.291475      0.259871     -0.205989
      6.97356      9.60686     20.22695         0.232206      0.124549      0.029923
      7.84139     12.69330     16.64334        -0.457431      0.101246      0.079345
      6.82446     11.48155     20.66931         0.211679     -0.135439      0.002098
      6.83791     13.78954      0.12862         0.426190     -0.175050     -0.192416
      9.50531     19.85833     16.01391        -0.563724      0.379635     -0.230239
      8.84918     17.74851     16.18775        -0.375399     -0.003992      0.161980
      7.20977     18.81125     20.01207        -0.388464     -0.008976     -0.229385
      9.50996      3.00031     14.30751         0.461675     -0.374858      0.202687
      8.52339      2.05921     18.95465        -0.415061     -0.158481     -0.456084
      8.86389      4.21901     18.38557         0.305576     -0.071818     -0.332579
      6.80743     13.02239      8.75406         0.061180     -0.086554     -0.238570
      7.54673     11.33387      4.08156        -0.090873      0.243539      0.275847
      7.78680     13.70948      4.57687        -0.019830      0.257363     -0.049986
      6.81377     15.16047      9.04231         0.176381      0.157288     -0.110078
      8.04608     15.57937      4.90396        -0.075171     -0.220521     -0.117273
      8.15629     17.97126      5.13153        -0.402689     -0.303671      0.148634
      6.19607      0.25914     12.77786         0.674562      0.200380     -0.169255
      6.67214     19.63027     11.66848         0.264659      0.015894     -0.194567
      8.12411      0.79963      8.42558         0.175706     -0.054800      0.240034
      6.58278      3.79901     16.00615        -0.419853      0.183871      0.102243
      8.14820      4.49405     11.55144         0.492107      0.019883      0.131906
      7.92739      6.28895     12.77246        -0.180575      0.072465      0.556959
      3.58344     14.44090      9.09318         0.028844     -0.184553      0.076589
      4.56914     11.28445     12.85224        -0.032793      0.232111     -0.213910
      4.66535     13.69154     13.22486         0.083700      0.200123      0.141061
      3.95899     16.38048      9.33633        -0.120632      0.020718      0.109340
      4.64982     15.66051     13.58824         0.232294     -0.200511     -0.211092
      5.03372     18.04589     13.90955         0.157397     -0.188517     -0.194875
      5.42554      2.29147      7.41465         0.000013      0.183204      0.555822
      4.94258      0.20535      8.01479        -0.219198     -0.022899      0.245337
      4.43373      1.56570     12.05576        -0.563847      0.009302      0.183112
      6.78732      6.64504      5.97953         0.350404     -0.036183     -0.214004
      5.45662      5.95369     10.51170         0.142115     -0.220980     -0.267613
      5.88714      8.02235      9.94979         0.421263     -0.125787     -0.400588
      2.11070     16.46665      3.24252        -0.131721     -0.103943     -0.242203
      0.44383     14.92634     20.03671         0.010748      0.017706      0.343887
      0.52475     17.25739     20.53585        -0.215978      0.157083      0.078060
      1.83232     18.74751      3.60104        -0.155758      0.148029     -0.204629
      0.26553     19.01964     20.79695         0.014605     -0.304231     -0.034569
      0.03344      0.16009     21.00251         0.028884     -0.337001      0.125807
      2.51534      3.80400      6.97870         0.048730      0.300505     -0.015297
      2.33534      2.02424      5.86310        -0.047717     -0.155056     -0.237386
      0.69278      4.32443      2.61672        -0.271449     -0.048009     -0.000364
      3.70961      7.54268      9.49874        -0.032908     -0.023846      0.525088
      1.81468      8.31610      5.13678        -0.125044     -0.158132      0.286163
      2.49694     10.12351      6.27848        -0.014642     -0.414872      0.588926
      3.30999     17.04980     21.01982         0.422983     -0.182163     -0.230872
      6.01438     13.79746      2.37916        -0.363434      0.256633      0.003169
      6.06087     16.13521      2.97547        -0.110008      0.129873      0.019664
      3.40258     19.26583      0.42162         0.294711      0.134024      0.048022
      6.16551     18.00287      3.52003        -0.043047     -0.232254     -0.009379
      6.40457     20.28740      4.28830        -0.199111     -0.202834     -0.139649
      1.88614      5.40039      0.53165         0.573555      0.170898      0.267920
      2.43515      3.34823      0.47407        -0.040447     -0.382478     -0.062514
      4.84271      3.94233      3.95836         0.161996     -0.041390     -0.280938
      1.46945     10.26696     21.17863        -0.621338      0.201600      0.058275
      4.24577      8.77261      3.58196         0.309055      0.271585     -0.949505
      3.70403     10.92116      3.55644        -0.034314      0.023203     -0.669429
     20.44632     19.53684     14.78325        -0.250141     -0.001983      0.377347
     16.60524     17.81294     12.08757         0.376005      0.169648      0.254691
     16.91334     20.21370     12.38384         0.014380      0.091103     -0.051782
     20.67229      0.31646     15.02534        -0.305236      0.156944      0.116772
     16.97043      0.85780     12.83952        -0.071481     -0.085778     -0.075203
     16.97277      3.25632     13.34320         0.339176     -0.289836     -0.020874
      2.47501      6.69353     17.23968         0.690033     -0.035571      0.574399
      1.39937      4.69345     17.06389        -0.405669     -0.057194      0.066097
     19.28736      7.08953     15.96868        -0.174971      0.002623      0.584761
      4.49695     10.03529     20.24465        -0.034145      0.115354     -0.579772
      0.16183     10.73011     18.25833         0.846720     -0.468222      0.339492
      1.29984     12.54758     18.80917         0.263801     -0.077275      0.567626
      0.71699     21.15199     13.34166         0.038939      0.198348     -0.324111
      3.70611     17.78166     15.45970        -0.546619      0.450049     -0.106062
      4.19297     20.15580     15.72468        -0.319667      0.116936      0.183356
      0.94497      1.81135     13.72264         0.271248      0.123996     -0.257248
      4.28810      0.85212     16.28215        -0.681370      0.030614      0.413417
      4.68317      3.23649     16.70393        -0.571110     -0.018723      0.285985
     20.04084      8.88242     13.81741         0.492296     -0.029554      0.129393
     20.80468      6.78570     13.82137         0.759864      0.055660     -0.090157
      3.00305      8.14805     15.97317         0.719513      0.146671     -0.496815
     18.30152     13.11694     13.40253        -0.668387     -0.002596      0.100002
      1.36788     12.57021     15.32555        -0.513065     -0.165358     -0.373508
      0.59464     14.61530     15.32270        -0.735253     -0.101830     -0.132843
     17.79743      2.63773      7.15193        -0.381553     -0.211270      0.092073
     14.57130      0.87218      3.77187         0.367003      0.282046      0.082025
     14.63394      3.27597      4.28013         0.092038      0.235987     -0.073519
     17.89415      4.71923      7.44996        -0.249933      0.127292      0.075359
     14.69382      5.20570      4.57360        -0.041635     -0.184406     -0.076117
     14.65729      7.60896      4.96744         0.310697     -0.338711      0.122606
     20.34481     10.82567     10.61331        -0.359925      0.350776     -0.047367
     19.37409      9.05509      9.77401        -0.297254     -0.128628     -0.049118
     16.70710     11.63469      7.58649        -0.063874     -0.060178      0.180277
      1.17236     14.41509     12.80258         0.706577     -0.137091     -0.010624
     18.38153     15.19916     10.30500         0.311568     -0.233142      0.618174
     19.45708     17.01492     11.10779         0.670127     -0.308899      0.292168
     19.34990      4.41501      5.26742         0.093384     -0.005054      0.020684
     21.18490      0.66807      8.03835        -0.019084      0.399458     -0.247655
      0.15752      2.98054      8.80920        -0.048753      0.165322      0.305007
     19.71184      6.16676      5.72200         0.003815      0.116451      0.133108
      0.22197      4.97582      9.48680        -0.414943     -0.101869      0.127212
      0.68959      7.29600     10.03821        -0.057145     -0.045183      0.049108
     18.48924     13.32900      4.91226         0.297480      0.058075      0.368546
     19.02791     11.19799      5.21876         0.256035     -0.016548      0.381676
      0.18512     12.33996      8.60925         0.378306      0.007533     -0.108705
     17.08738     17.69329      4.17207         0.054122      0.251174     -0.263658
     20.09827     16.83286      7.81028        -0.018752     -0.113407     -0.459132
     19.29449     18.88286      7.66378        -0.285288      0.039866     -0.053286
     14.00955     19.33553     10.70391        -0.126791     -0.260588     -0.046711
     18.76690     20.98491      3.74461         0.425005      0.293386     -0.041004
     12.57267      1.21813      2.69213         0.364038     -0.322991     -0.083985
     13.53133     11.60396      4.45021         0.286407      0.950006     -0.253536
      9.75243      2.65195      2.83586        -0.306645     -0.361678     -0.293245
     10.66487     12.66426      5.33959        -0.389994      0.475814      0.370530
      9.72121      5.23213     15.88438        -0.003814     -0.863003      0.631671
     10.55535     15.63900     17.83571         0.279187      0.175781     -0.631731
      7.02145      6.44950     15.51979        -0.208505     -0.056436     -0.281475
      7.59885     16.59110     18.34683        -0.416932      0.628708     -0.143134
      6.56651      8.97993      7.42881         0.215867     -0.518120      0.364446
      7.44525     19.37902      9.04551         0.222163      0.524038      0.373523
      3.49784     10.19876      8.91904        -0.083001     -0.356801     -0.281922
      4.33732     20.47580     10.59284        -0.213835      0.650025     -0.557545
      2.17535     12.39198      1.61692        -0.394286      0.104455      0.532745
      1.29537      1.69205      3.37461         0.100704      0.684079      0.750742
      3.68620     12.74675     20.27803         0.085700      0.660367      0.090847
      4.13961      1.87772      2.17792         0.110813      0.310518     -0.029774
     19.43729     15.45832     14.22858        -0.837792     -0.306682      0.207575
     20.10154      4.44583     15.93973        -0.195028      0.972018      0.046078
      0.66961     17.01402     12.61078         0.004284     -0.341624     -0.165923
      2.05645      5.82663     14.65301         0.339723      0.599965      0.351391
     17.38318     19.85093      5.87916         0.190208     -0.220782      0.183217
     17.41787      8.91950      7.86669        -0.008317      0.550346      0.521210
     19.29249      0.41035      4.30168        -0.062308     -0.534273     -0.248648
     20.58463     10.05769      7.17341         0.316342      0.863963      0.047838
     12.18370      2.30736      4.76077         0.263103      0.091409      0.422117
     13.11677      0.96044      0.42065         0.246829      0.876116      0.686601
     13.08549      9.94718      6.04191         0.046360     -0.437957      0.120772
     13.72723     12.65174      2.32455        -0.073349     -2.123272      1.240259
      9.99204      4.48911      1.37566        -0.375355      0.089120      0.402999
      9.37096      1.43593      4.82034         0.125616      1.351674     -0.281383
     10.77604     11.61622      3.25036        -0.112677      0.057239     -2.599596
     10.28262     12.91315      7.67190        -0.032880     -1.052061     -1.216332
      9.53786      6.35958     17.97993         0.455538     -0.011581     -0.431436
     10.22744      4.93938     13.63403         1.140082     -2.426830     -3.277076
     10.16245     13.92925     19.39754         0.307521     -0.408077     -0.141812
     10.83370     16.68754     15.74350         0.095188     -1.465376      0.515198
      7.34246      8.30735     14.10108        -0.330653      0.435402     -0.553816
      6.71332      5.20920     17.49359         0.010939      1.282575     -0.125196
      8.00699     15.68567     16.20830        -0.158975      0.132871     -1.617505
      7.11230     16.69245     20.65142         0.085612     -0.812550     -0.930790
      6.43972     10.13045      9.51151         0.347451      0.043494     -0.952034
      7.06382      8.59873      5.16867        -0.097621      1.048430      0.838871
      6.90645     17.71229     10.65607         0.698164      0.304599     -1.737095
      8.06381     20.36869      7.00937        -0.529959     -1.228027      0.331245
      3.06907     11.96876      7.40794         0.365870     -0.096737      1.038574
      4.01300      9.06589     10.92210        -0.176232      1.057753     -0.199854
      4.24807     19.31742      8.50074        -0.215414      0.110908     -0.268556
      4.52031     20.73862     12.98614        -0.442807     -2.795685     -4.008562
      2.98643     13.37178      3.65109        -1.059313      0.331384     -2.059974
      0.64017     12.21600     21.10630        -1.122257     -0.512966     -0.595664
      2.15192      0.13892      4.98527        -0.576031      0.155128     -1.372564
      0.39218      2.56438      1.41142        -0.040539     -1.208155      0.379820
      2.66769     14.53632     19.08507         0.984892     -0.118883      0.754902
      4.99482     11.65187      0.60394         0.065296      0.575504      0.129021
      2.93715      1.09433      0.29362         0.834862     -0.424378      0.663453
      5.71310      1.89375      3.92429        -0.524777     -1.089330     -0.817358
     -0.19129     16.67578     15.39306         1.491304      0.202101      1.727801
     17.48796     15.04205     12.94018         0.878033      1.386663      0.986626
      0.32662      2.75414     16.59549         0.036812     -0.319346      0.439124
     18.38473      5.55188     14.70709         0.667981     -1.415978      0.420165
     20.83568     18.89078     11.72853         0.246336      0.341750     -0.179621
      2.15424     15.73350     13.95000        -0.424996      1.648909     -0.604142
      0.34489      4.73744     13.47450        -2.342282      0.034690     -1.882395
      3.93820      5.99839     16.11725        -1.089151     -1.006809     -1.525849
     18.37425     20.94758      7.75391        -0.356113      0.002555     -0.332438
     15.87307     19.47237      4.11264         0.302889      0.970026      0.610887
     18.47410      7.18313      9.11598        -1.128811      0.327491     -1.090762
     15.84827      9.96273      6.46747         0.665535     -1.261572      0.096775
     18.30648      2.30764      3.39909         0.865773     -0.226731      0.865545
     20.47400     20.11888      5.58549        -0.313830      1.427307     -0.079761
     19.39915      9.13103      5.33570         0.213911     -0.013559      0.323579
      0.63040     10.12260      9.17348        -1.429980     -1.785529     -2.554081
     13.68462     17.61397      5.31979         0.304425     -0.168217     -0.006652
     15.64044     16.77075      5.56432         0.544371     -0.225448      0.195031
     14.51399     16.44003      3.71839         0.258572     -0.256043      0.506306
     11.96621     15.21384     11.33564         0.058626      0.090083     -0.416121
     11.46493     14.57739      9.29667        -0.235386      0.009510      0.535029
     13.38201     13.96023     10.24652        -0.217748     -0.105988      0.542038
     11.91065     18.22389      7.20497         0.144916     -0.335800      0.294837
      9.98465     18.39814      6.31840        -0.185959      0.159019      0.241161
     10.38196     16.82350      7.83939        -0.072436      0.352933     -0.293660
     12.98290     18.28888      0.09050         0.305727     -0.221672      0.559110
     13.91110     16.81564      1.47914        -0.381893      0.978053     -0.457962
     11.80873     16.66906      0.97160         0.581102      0.777202     -0.181705
     10.15588      0.33880     18.66389         0.562588      0.076643     -0.127088
     12.27053     -0.10507     18.81868         0.437231     -0.263040      0.082553
     11.17331     20.64919     17.01545         0.612887     -0.419643      0.302078
      9.14922     19.22381      3.56356        -0.470552      0.076270      0.050809
      8.15426     18.57086      1.71965        -0.739010      0.059824     -0.081636
     10.20572     18.03456      2.10616        -1.026408      0.195920      0.529317
      8.12692      0.79420     20.42783        -0.169239     -0.029508      0.158001
      6.41528      1.17807     19.16787        -0.648125     -0.140656      0.056924
      6.36657     20.81910     20.69145        -0.046014      0.247374     -0.303951
      9.15527      0.92930     13.34649         1.363788      0.782241     -0.734754
     10.53667     21.01488     14.65913         0.350216      1.021827     -0.478803
      8.53040     20.43384     14.32000        -0.062378      0.010499      0.149501
      7.67177      4.07765      9.89388         0.350976      0.216727     -0.307519
      9.63831      3.38063     10.42771         0.521060     -0.209037      0.019894
      8.76538      2.87620      8.47446         0.378561     -0.088932      0.656376
      6.13682      1.77342     16.06518        -0.205823     -0.242828      1.011501
      5.04083      1.58484     14.11936        -0.674309     -0.314692      0.274705
      6.82970      0.51323     14.47131        -0.415430      0.378035      1.408093
      5.70000      4.94604     11.90658        -0.286418      0.187576      0.277367
      3.57727      4.98323     11.79795        -0.774048     -0.066840     -0.165651
      4.49591      3.48457     12.96414        -0.010510      0.106310     -0.243245
      6.97718      4.42753      5.09639         0.085495     -0.119967      0.558649
      7.15259      2.95414      6.66227         0.164652     -0.041599     -0.036770
      5.17305      3.47877      5.95527         0.313817      0.306215     -0.135373
     -0.12022      7.32579      4.52463        -0.529141      0.032158      0.163104
      1.69908      7.60732      3.47702        -0.700120     -0.361596     -0.141856
      0.07469      6.43238      2.59083        -0.184204     -0.243119      0.329813
      3.45686      5.47358      9.66280         0.137775     -0.095846      1.466110
      1.99211      4.42019      8.59011        -0.727497     -0.311410      0.617427
      3.90585      4.60319      7.69078        -0.027905      0.183390      0.141898
      5.79632      7.19532      3.49044         0.286479     -0.227202     -0.098837
      3.97418      7.41572      4.67903         0.074548     -0.077061     -0.306042
      5.13296      5.72007      5.02604        -0.145585      0.422591     -0.420097
      1.05306      8.17202     20.18425        -0.847025      0.184013      0.779160
      2.69531      6.90897     -0.34483        -0.790204      0.707591     -0.949058
      0.66788      6.79686      0.44120        -0.735284      0.137116      0.471355
     19.67541      9.54459     18.65487        -0.389406     -0.070742      0.702096
     20.33646     10.43490     16.81065        -0.300866      0.249372     -0.079942
     18.67110      9.06586     16.76749        -0.240998     -0.040906      0.441163
      4.77959      7.84698     19.96472         0.040851     -0.097275     -0.250386
      3.30335      6.58791     18.87284         1.521959      1.247779      0.903140
      4.53785      7.85143     17.72129         0.668005      0.861876      0.096441
      3.18652     11.52009     14.94453         0.470898     -0.053354     -0.349816
      1.92423     11.59237     16.68942         0.606619      0.080475     -0.064587
      3.60609     10.23210     16.67233         0.173069      0.078000     -0.894925
     17.49700     11.16917     13.02719         0.232169     -0.056621      0.423128
     19.05918      9.76447     12.51335        -0.212862      0.484295      0.127747
     18.18695      9.65904     14.49540        -0.114769      0.799418     -0.393354
     16.57071     14.34201      9.84644        -0.394951     -0.063239     -0.070303
     18.11426     14.86426      8.39950        -0.436684     -0.017094     -0.041259
     16.36373     13.76723      7.72550         0.091330      0.025170      0.242634
      1.45519     12.32470     12.76582         0.436832      0.233792     -0.171210
     20.96103     11.18861     12.19159         1.042821      0.041743      0.040019
      1.10730     11.84403     10.68534         0.374493      0.400754     -0.052392
      0.82664     15.82604      7.48518         0.403489     -0.160407     -0.164512
     20.58170     15.73988      9.03511         0.356101      0.049693      0.108135
      0.99034     14.39300      9.15296         0.249321     -0.030221     -0.429149
     17.02751     15.83732      3.01699         0.450787     -0.201843      0.233060
     18.79854     14.59262      3.41831        -0.196220      0.111336     -0.629239
     16.91552     14.28296      4.55918        -0.146086      0.343486     -0.411995
 -----------------------------------------------------------------------------------
    total drift:                               -0.004763     -0.001464      0.001323


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4539.6533896492 eV

  energy  without entropy=    -4539.8061880644  energy(sigma->0) =    -4539.70432245
 
 d Force = 0.2455733E-01[-0.414E-03, 0.495E-01]  d Energy = 0.2448067E-01 0.767E-04
 d Force = 0.2321389E+03[ 0.232E+03, 0.232E+03]  d Ewald  = 0.2321388E+03 0.703E-04


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   24(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3184
 total energy-change (2. order) : 0.3196611E+01  (-0.3093069E+03)
 number of electron    2497.9999961 magnetization 
 augmentation part      162.8481675 magnetization 

  free energy =  -0.453645677910E+04  energy without entropy=  -0.453660735344E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   24(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) :-0.8484276E+01  (-0.9778918E+01)
 number of electron    2497.9999961 magnetization 
 augmentation part      163.1522065 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7629
  0.7629

  free energy =  -0.454494105499E+04  energy without entropy=  -0.454509674803E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   24(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3744
 total energy-change (2. order) : 0.3492099E+00  (-0.1877093E+00)
 number of electron    2497.9999961 magnetization 
 augmentation part      162.8620284 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2685
  1.2685  1.2685

  free energy =  -0.454459184510E+04  energy without entropy=  -0.454474720464E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   24(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3616
 total energy-change (2. order) : 0.5890377E-01  (-0.1448729E+00)
 number of electron    2497.9999961 magnetization 
 augmentation part      162.6133733 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2331
  2.0155  0.8419  0.8419

  free energy =  -0.454453294133E+04  energy without entropy=  -0.454468772419E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   24(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3656
 total energy-change (2. order) :-0.2599728E-01  (-0.2974732E-01)
 number of electron    2497.9999961 magnetization 
 augmentation part      162.6513568 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3202
  2.3143  1.0185  1.0185  0.9294

  free energy =  -0.454455893861E+04  energy without entropy=  -0.454471370199E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   24(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3656
 total energy-change (2. order) : 0.1132485E-01  (-0.1679542E-01)
 number of electron    2497.9999961 magnetization 
 augmentation part      162.6651354 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2971
  2.3889  1.1262  1.1262  0.9220  0.9220

  free energy =  -0.454454761376E+04  energy without entropy=  -0.454470258238E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   24(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3664
 total energy-change (2. order) :-0.1038539E-02  (-0.3139250E-02)
 number of electron    2497.9999961 magnetization 
 augmentation part      162.7038718 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2658
  2.3971  1.0212  1.0212  1.1675  1.1675  0.8200

  free energy =  -0.454454865230E+04  energy without entropy=  -0.454470337433E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   24(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3608
 total energy-change (2. order) : 0.7224467E-03  (-0.6428568E-03)
 number of electron    2497.9999961 magnetization 
 augmentation part      162.7058709 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2451
  2.4202  1.1311  1.1311  1.1378  1.1378  0.8788  0.8788

  free energy =  -0.454454792985E+04  energy without entropy=  -0.454470281870E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   24(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) :-0.4034813E-03  (-0.3178379E-03)
 number of electron    2497.9999961 magnetization 
 augmentation part      162.6955492 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2511
  2.5389  1.5629  1.0299  1.0299  1.2450  0.8197  0.8911  0.8911

  free energy =  -0.454454833334E+04  energy without entropy=  -0.454470302233E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   24(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) :-0.1348570E-03  (-0.3618425E-04)
 number of electron    2497.9999961 magnetization 
 augmentation part      162.6965955 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2563
  2.6118  1.9128  1.0756  1.0756  1.2072  0.8735  0.8735  0.9607  0.7157

  free energy =  -0.454454846819E+04  energy without entropy=  -0.454470329707E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   24(  11)  ---------------------------------------



 eigenvalue-minimisations  :  3568
 total energy-change (2. order) :-0.2021848E-03  (-0.2496173E-04)
 number of electron    2497.9999961 magnetization 
 augmentation part      162.6967307 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2408
  2.6086  1.9829  1.0309  1.0309  1.3226  0.9049  0.9049  0.9886  0.9886  0.6457

  free energy =  -0.454454867038E+04  energy without entropy=  -0.454470339921E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   24(  12)  ---------------------------------------



 eigenvalue-minimisations  :  2784
 total energy-change (2. order) :-0.1763936E-03  (-0.2935531E-05)
 number of electron    2497.9999961 magnetization 
 augmentation part      162.6967953 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3029
  2.7377  2.3825  1.0447  1.0447  1.4255  1.4255  0.8658  0.8658  0.9506  0.9506
  0.6381

  free energy =  -0.454454884677E+04  energy without entropy=  -0.454470361395E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   24(  13)  ---------------------------------------



 eigenvalue-minimisations  :  3120
 total energy-change (2. order) :-0.2166988E-03  (-0.4245166E-05)
 number of electron    2497.9999961 magnetization 
 augmentation part      162.6970643 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3170
  2.9615  2.5668  1.5008  1.5008  1.0438  1.0438  0.8804  0.8804  0.9734  0.9734
  0.8360  0.6435

  free energy =  -0.454454906347E+04  energy without entropy=  -0.454470380113E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   24(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2576
 total energy-change (2. order) :-0.1056299E-03  (-0.1542843E-05)
 number of electron    2497.9999961 magnetization 
 augmentation part      162.6969816 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3527
  3.5609  2.5601  1.6480  1.6480  1.0445  1.0445  1.0615  1.0615  0.8648  0.8648
  0.7923  0.7923  0.6417

  free energy =  -0.454454916910E+04  energy without entropy=  -0.454470392037E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   24(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2520
 total energy-change (2. order) :-0.9229637E-04  (-0.9311334E-06)
 number of electron    2497.9999961 magnetization 
 augmentation part      162.6969779 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3813
  4.0330  2.5725  1.8606  1.5414  1.0474  1.0474  1.0380  1.0380  0.9822  0.9822
  0.8923  0.8923  0.7661  0.6446

  free energy =  -0.454454926140E+04  energy without entropy=  -0.454470399806E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   24(  16)  ---------------------------------------



 eigenvalue-minimisations  :  2376
 total energy-change (2. order) :-0.4900197E-04  (-0.3602020E-06)
 number of electron    2497.9999961 magnetization 
 augmentation part      162.6969424 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4325
  4.4893  2.6390  2.1012  1.4147  1.4147  1.0494  1.0494  1.1516  1.1516  0.8742
  0.8742  0.9643  0.9643  0.6420  0.7077

  free energy =  -0.454454931040E+04  energy without entropy=  -0.454470405269E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   24(  17)  ---------------------------------------



 eigenvalue-minimisations  :  2360
 total energy-change (2. order) :-0.4350182E-04  (-0.3634617E-06)
 number of electron    2497.9999961 magnetization 
 augmentation part      162.6968997 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4758
  5.1198  2.6927  2.4345  1.5426  1.5426  1.0485  1.0485  1.0435  1.0435  1.0541
  1.0541  0.8741  0.8741  0.8786  0.6412  0.7198

  free energy =  -0.454454935390E+04  energy without entropy=  -0.454470409181E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   24(  18)  ---------------------------------------



 eigenvalue-minimisations  :  2336
 total energy-change (2. order) :-0.2060781E-04  (-0.1797109E-06)
 number of electron    2497.9999961 magnetization 
 augmentation part      162.6968923 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4991
  5.3388  2.8381  2.5256  1.7156  1.3330  1.3330  1.3849  1.0517  1.0517  1.0258
  1.0258  0.8677  0.8677  0.8877  0.8877  0.6401  0.7097

  free energy =  -0.454454937451E+04  energy without entropy=  -0.454470411494E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   24(  19)  ---------------------------------------



 eigenvalue-minimisations  :  2288
 total energy-change (2. order) :-0.7015740E-05  (-0.8624077E-07)
 number of electron    2497.9999961 magnetization 
 augmentation part      162.6968923 magnetization 

  free energy =  -0.454454938152E+04  energy without entropy=  -0.454470412028E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.9755       2 -56.1688       3 -56.0492       4 -55.7665       5 -55.7783
       6 -56.2856       7 -58.0295       8 -58.3159       9 -56.2768      10 -55.9971
      11 -56.0423      12 -55.7751      13 -55.7287      14 -55.9351      15 -57.9923
      16 -58.0612      17 -56.3299      18 -54.9135      19 -54.7120      20 -55.1808
      21 -55.6294      22 -55.5952      23 -55.6604      24 -55.6234      25 -55.0408
      26 -54.7110      27 -54.8997      28 -55.0072      29 -60.4307      30 -60.3870
      31 -55.5867      32 -55.8288      33 -55.7135      34 -55.1895      35 -55.4663
      36 -55.9487      37 -57.8026      38 -58.0862      39 -56.0517      40 -55.7757
      41 -55.9422      42 -55.6872      43 -55.7163      44 -55.8725      45 -58.0944
      46 -58.1559      47 -56.5035      48 -55.1014      49 -54.8730      50 -55.3118
      51 -55.8733      52 -55.7902      53 -55.7513      54 -55.8425      55 -55.1976
      56 -54.7863      57 -54.9956      58 -56.4119      59 -60.4472      60 -60.6211
      61 -55.9586      62 -56.0656      63 -55.9425      64 -55.7421      65 -55.7625
      66 -56.2263      67 -57.9283      68 -58.2595      69 -56.2429      70 -55.9517
      71 -56.0849      72 -55.7307      73 -55.6600      74 -55.9236      75 -58.0338
      76 -58.2168      77 -56.5247      78 -55.0725      79 -54.8715      80 -55.3984
      81 -55.8373      82 -55.8549      83 -55.8314      84 -55.8615      85 -55.0948
      86 -54.9555      87 -55.0966      88 -56.4533      89 -60.6960      90 -60.4785
      91 -55.7070      92 -55.8454      93 -55.7165      94 -55.4324      95 -55.5179
      96 -56.0067      97 -57.8634      98 -58.0598      99 -56.0858     100 -55.8799
     101 -56.0004     102 -55.5550     103 -55.5984     104 -55.8838     105 -58.0906
     106 -58.2501     107 -56.5011     108 -55.0551     109 -54.8786     110 -55.3394
     111 -55.8036     112 -55.7425     113 -55.7827     114 -55.9203     115 -55.2844
     116 -54.9159     117 -55.0772     118 -56.4583     119 -60.5058     120 -60.4938
     121 -55.8501     122 -55.9460     123 -55.8144     124 -55.6973     125 -55.7012
     126 -56.0956     127 -57.9835     128 -58.1777     129 -56.0060     130 -55.7108
     131 -55.8363     132 -55.5490     133 -55.4871     134 -55.7361     135 -57.8623
     136 -58.0315     137 -56.4006     138 -55.0078     139 -54.8430     140 -55.2710
     141 -55.7569     142 -55.8704     143 -55.7580     144 -55.6850     145 -55.0736
     146 -54.8962     147 -55.0825     148 -56.4047     149 -60.5716     150 -60.5217
     151 -55.5346     152 -55.6428     153 -55.4918     154 -55.3055     155 -55.3570
     156 -55.7967     157 -57.7683     158 -57.8856     159 -55.8439     160 -55.6101
     161 -55.7907     162 -55.4241     163 -55.4523     164 -55.6444     165 -58.1342
     166 -58.1195     167 -56.4879     168 -55.1370     169 -54.8946     170 -55.3664
     171 -55.9312     172 -55.9059     173 -55.8524     174 -55.7285     175 -55.1639
     176 -54.6707     177 -54.9286     178 -56.2898     179 -60.4712     180 -60.5540
     181 -55.9289     182 -56.1662     183 -55.9775     184 -55.6987     185 -55.6825
     186 -56.2523     187 -57.9414     188 -58.2837     189 -56.2096     190 -55.8477
     191 -55.9848     192 -55.7395     193 -55.6531     194 -55.8700     195 -57.9695
     196 -58.2247     197 -56.4199     198 -54.9318     199 -54.8035     200 -55.2683
     201 -55.8236     202 -55.8570     203 -55.7814     204 -55.7645     205 -55.1794
     206 -54.9900     207 -55.0774     208 -56.4012     209 -60.7165     210 -60.4536
     211 -56.0261     212 -56.2030     213 -55.9764     214 -55.7977     215 -55.7597
     216 -56.2788     217 -58.1086     218 -58.4026     219 -56.1697     220 -55.8291
     221 -55.9421     222 -55.6233     223 -55.5084     224 -55.7944     225 -57.8887
     226 -58.1635     227 -56.3550     228 -54.8687     229 -54.8580     230 -55.0790
     231 -55.6239     232 -55.8466     233 -55.9222     234 -55.5458     235 -55.2156
     236 -54.9092     237 -55.1264     238 -56.4685     239 -60.2856     240 -60.3367
     241 -55.9404     242 -55.9968     243 -55.8635     244 -55.7254     245 -55.7471
     246 -56.1649     247 -58.0352     248 -58.1427     249 -56.1999     250 -55.9201
     251 -56.0502     252 -55.7453     253 -55.7503     254 -55.9469     255 -58.0707
     256 -58.1310     257 -56.5123     258 -55.1465     259 -54.9115     260 -55.2938
     261 -55.8056     262 -55.8890     263 -55.9465     264 -55.9197     265 -55.4744
     266 -54.9999     267 -55.2563     268 -56.5378     269 -60.5758     270 -60.4081
     271 -55.9068     272 -55.9990     273 -55.7841     274 -55.7542     275 -55.7181
     276 -56.0640     277 -58.0848     278 -58.1833     279 -55.7761     280 -55.6006
     281 -55.7015     282 -55.3867     283 -55.2740     284 -55.6055     285 -58.0727
     286 -57.9831     287 -56.6129     288 -55.1349     289 -54.9590     290 -55.5040
     291 -55.8700     292 -55.8347     293 -55.8251     294 -55.8494     295 -55.1749
     296 -54.8348     297 -54.9642     298 -56.4222     299 -60.4580     300 -60.6351
     301 -55.8608     302 -55.9971     303 -55.8439     304 -55.5810     305 -55.6148
     306 -56.0903     307 -58.0311     308 -58.2381     309 -56.1276     310 -55.8092
     311 -55.9688     312 -55.6598     313 -55.6322     314 -55.8629     315 -57.9417
     316 -58.1298     317 -56.4058     318 -54.9802     319 -54.8040     320 -55.2300
     321 -55.7546     322 -55.8167     323 -55.8143     324 -55.7975     325 -55.1054
     326 -55.0240     327 -55.1730     328 -56.5010     329 -60.5026     330 -60.3531
     331 -55.7912     332 -55.8405     333 -55.6630     334 -55.6021     335 -55.5684
     336 -55.9815     337 -57.9008     338 -57.9329     339 -55.7906     340 -55.5151
     341 -55.6385     342 -55.3800     343 -55.3789     344 -55.5864     345 -57.8942
     346 -57.9198     347 -56.3782     348 -54.8991     349 -54.7887     350 -55.3021
     351 -55.7228     352 -55.7512     353 -55.6865     354 -55.5926     355 -55.0864
     356 -54.6515     357 -54.8657     358 -56.2964     359 -60.3757     360 -60.4629
     361 -39.0586     362 -38.7658     363 -38.9698     364 -39.1033     365 -38.9361
     366 -38.7257     367 -38.2258     368 -38.1577     369 -38.2372     370 -38.1735
     371 -38.2134     372 -38.1998     373 -38.8709     374 -38.3465     375 -38.6789
     376 -38.8748     377 -38.8454     378 -38.8109     379 -38.1667     380 -38.0913
     381 -38.2030     382 -38.0701     383 -38.2849     384 -38.0568     385 -38.8752
     386 -38.6671     387 -38.8446     388 -38.9658     389 -38.8393     390 -38.5764
     391 -38.3192     392 -38.1929     393 -38.3272     394 -38.1297     395 -38.2127
     396 -38.2604     397 -38.8025     398 -38.3940     399 -38.7311     400 -38.8827
     401 -38.6446     402 -38.7751     403 -38.1584     404 -38.0881     405 -38.2407
     406 -38.0619     407 -38.1085     408 -38.0233     409 -38.7711     410 -38.7250
     411 -38.9358     412 -38.7339     413 -38.8139     414 -38.5373     415 -38.2570
     416 -38.2255     417 -38.0424     418 -38.2915     419 -38.2901     420 -38.1029
     421 -38.5749     422 -38.3073     423 -38.5243     424 -38.6724     425 -38.5461
     426 -38.7561     427 -38.1345     428 -38.1507     429 -38.3842     430 -38.0936
     431 -38.3276     432 -38.0178     433 -38.8571     434 -38.7229     435 -39.0383
     436 -38.7652     437 -38.9917     438 -38.5931     439 -38.5585     440 -38.0803
     441 -38.2075     442 -38.2520     443 -38.4255     444 -38.0277     445 -38.8616
     446 -38.8306     447 -38.8729     448 -38.7715     449 -38.7360     450 -38.4027
     451 -37.9979     452 -37.8431     453 -38.0791     454 -38.1717     455 -38.2198
     456 -38.0373     457 -38.9497     458 -38.6851     459 -38.9058     460 -39.0046
     461 -38.8914     462 -38.7341     463 -38.2316     464 -38.2545     465 -38.2071
     466 -38.4465     467 -38.3864     468 -38.0017     469 -39.0447     470 -38.8230
     471 -38.7739     472 -38.7866     473 -38.5182     474 -38.3831     475 -38.2324
     476 -38.0288     477 -38.4919     478 -38.1036     479 -38.2079     480 -37.9518
     481 -38.8682     482 -38.6892     483 -38.8367     484 -38.8845     485 -38.8605
     486 -38.7247     487 -38.2154     488 -38.2020     489 -38.0588     490 -38.2359
     491 -38.0987     492 -38.1974     493 -38.8389     494 -38.5468     495 -38.7419
     496 -38.7820     497 -38.6157     498 -38.5283     499 -38.1013     500 -37.8899
     501 -38.2336     502 -38.0474     503 -38.1226     504 -37.8916     505 -38.2397
     506 -41.2240     507 -71.7140     508 -71.5588     509 -71.4765     510 -71.6911
     511 -71.6444     512 -71.6066     513 -71.4829     514 -71.7242     515 -71.5706
     516 -71.4143     517 -71.3151     518 -71.3636     519 -71.5968     520 -71.6177
     521 -71.6971     522 -71.4456     523 -71.6360     524 -71.5591     525 -71.6548
     526 -71.4541     527 -71.6019     528 -71.4843     529 -71.0866     530 -71.3965
     531 -76.8623     532 -76.5945     533 -76.6238     534 -76.5745     535 -76.6752
     536 -76.5332     537 -76.6680     538 -76.7459     539 -76.8368     540 -76.3027
     541 -76.7664     542 -76.6681     543 -76.6608     544 -76.5089     545 -76.7925
     546 -76.6899     547 -76.8100     548 -76.6837     549 -76.6945     550 -76.5000
     551 -76.5408     552 -76.4116     553 -76.7967     554 -77.2285     555 -76.8084
     556 -76.6412     557 -76.8850     558 -76.6355     559 -76.9698     560 -76.7203
     561 -76.7761     562 -76.5507     563 -76.6829     564 -76.6061     565 -76.7100
     566 -76.7255     567 -76.7573     568 -76.7173     569 -76.4397     570 -77.0311
     571 -76.8614     572 -76.6590     573 -76.7649     574 -76.5880     575 -76.5647
     576 -76.5055     577 -76.5685     578 -76.6598     579 -82.3348     580 -82.5532
     581 -82.3471     582 -82.2756     583 -82.4266     584 -82.3711     585 -82.5868
     586 -82.5846     587 -82.3728     588 -82.2591     589 -82.0619     590 -82.2249
     591 -82.4573     592 -82.3327     593 -82.4222     594 -82.5636     595 -82.7913
     596 -82.6436     597 -82.5858     598 -82.4020     599 -82.2758     600 -82.7107
     601 -82.1344     602 -81.5919     603 -82.6896     604 -82.4871     605 -82.5420
     606 -82.6442     607 -82.5290     608 -83.0170     609 -82.7864     610 -82.2123
     611 -82.2767     612 -82.2319     613 -82.2638     614 -82.3781     615 -82.5523
     616 -82.4019     617 -82.3885     618 -83.0005     619 -82.9346     620 -82.5762
     621 -82.3424     622 -82.3090     623 -82.4733     624 -82.3132     625 -82.3497
     626 -82.2856     627 -82.2159     628 -82.5544     629 -82.4101     630 -82.7187
     631 -81.8319     632 -82.5620     633 -82.4614     634 -82.8222     635 -82.4413
     636 -82.2167     637 -82.3684     638 -82.1823     639 -82.3213     640 -82.2499
     641 -82.2478     642 -82.4190     643 -82.5751     644 -82.4187     645 -82.3598
     646 -82.5667     647 -82.3502     648 -82.2309     649 -82.3631     650 -82.3393
 
 
 
 E-fermi :  -1.3728     XC(G=0):  -6.4018     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.6083      2.00000
      2     -29.5999      2.00000
      3     -29.1306      2.00000
      4     -29.1296      2.00000
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     10     -28.9983      2.00000
     11     -28.9827      2.00000
     12     -28.9812      2.00000
     13     -28.9693      2.00000
     14     -28.9145      2.00000
     15     -28.8864      2.00000
     16     -28.8287      2.00000
     17     -28.6858      2.00000
     18     -28.6850      2.00000
     19     -28.6822      2.00000
     20     -28.6449      2.00000
     21     -28.6165      2.00000
     22     -28.5968      2.00000
     23     -28.4991      2.00000
     24     -28.4186      2.00000
     25     -27.2652      2.00000
     26     -27.0737      2.00000
     27     -26.9399      2.00000
     28     -26.8901      2.00000
     29     -26.8737      2.00000
     30     -26.8465      2.00000
     31     -26.7866      2.00000
     32     -26.7726      2.00000
     33     -26.7453      2.00000
     34     -26.7177      2.00000
     35     -26.7152      2.00000
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     39     -26.6567      2.00000
     40     -26.6261      2.00000
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     46     -26.5212      2.00000
     47     -26.5154      2.00000
     48     -26.5115      2.00000
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     51     -26.4698      2.00000
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     56     -26.4015      2.00000
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     66     -26.2322      2.00000
     67     -26.1968      2.00000
     68     -26.1842      2.00000
     69     -26.1509      2.00000
     70     -26.0236      2.00000
     71     -25.8560      2.00000
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     73     -23.8945      2.00000
     74     -23.4610      2.00000
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     84     -22.9667      2.00000
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    120     -21.9878      2.00000
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    128     -20.2706      2.00000
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   1155      -2.9015      2.00000
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   1169      -2.7581      2.00000
   1170      -2.7285      2.00000
   1171      -2.7194      2.00000
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   1174      -2.6708      2.00000
   1175      -2.6643      2.00000
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   1177      -2.6362      2.00000
   1178      -2.6211      2.00000
   1179      -2.6093      2.00000
   1180      -2.5996      2.00000
   1181      -2.5851      2.00000
   1182      -2.5759      2.00000
   1183      -2.5666      2.00000
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   1186      -2.5308      2.00000
   1187      -2.5168      2.00000
   1188      -2.5129      2.00000
   1189      -2.5042      2.00000
   1190      -2.4858      2.00000
   1191      -2.4808      2.00000
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   1193      -2.4458      2.00000
   1194      -2.4435      2.00000
   1195      -2.4334      2.00000
   1196      -2.4308      2.00000
   1197      -2.4179      2.00000
   1198      -2.4138      2.00000
   1199      -2.4128      2.00000
   1200      -2.4032      2.00000
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   1208      -2.3401      2.00000
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   1210      -2.3320      2.00000
   1211      -2.3169      2.00000
   1212      -2.3014      2.00000
   1213      -2.2950      2.00000
   1214      -2.2930      2.00000
   1215      -2.2801      2.00000
   1216      -2.2789      2.00000
   1217      -2.2727      2.00000
   1218      -2.2622      2.00000
   1219      -2.2574      2.00000
   1220      -2.2498      2.00000
   1221      -2.2432      2.00000
   1222      -2.2216      2.00000
   1223      -2.2074      2.00000
   1224      -2.2021      2.00000
   1225      -2.1923      2.00000
   1226      -2.1696      2.00000
   1227      -2.1539      2.00000
   1228      -2.1500      2.00000
   1229      -2.1442      2.00000
   1230      -2.1159      2.00000
   1231      -2.1062      2.00000
   1232      -2.0852      2.00001
   1233      -2.0516      2.00002
   1234      -2.0503      2.00002
   1235      -2.0125      2.00006
   1236      -1.9650      2.00023
   1237      -1.8953      2.00138
   1238      -1.7296      2.03012
   1239      -1.6580      2.06156
   1240      -1.6377      2.06824
   1241      -1.6195      2.07089
   1242      -1.5881      2.06273
   1243      -1.5778      2.05509
   1244      -1.5724      2.04982
   1245      -1.5535      2.02396
   1246      -1.5313      1.97619
   1247      -1.5307      1.97463
   1248      -1.4996      1.86941
   1249      -1.4757      1.75564
   1250       0.0254     -0.00000
   1251       0.0311     -0.00000
   1252       0.0980     -0.00000
   1253       0.1117     -0.00000
   1254       0.1929     -0.00000
   1255       0.2162     -0.00000
   1256       0.2374     -0.00000
   1257       0.2727     -0.00000
   1258       0.3115     -0.00000
   1259       0.3162     -0.00000
   1260       0.3465     -0.00000
   1261       0.5462     -0.00000
   1262       0.5849     -0.00000
   1263       0.5963     -0.00000
   1264       0.6056     -0.00000
   1265       0.6301     -0.00000
   1266       0.6943     -0.00000
   1267       0.7144     -0.00000
   1268       0.7315     -0.00000
   1269       0.7371     -0.00000
   1270       0.7494     -0.00000
   1271       0.7870     -0.00000
   1272       0.7951     -0.00000
   1273       0.8119     -0.00000
   1274       0.8207     -0.00000
   1275       0.8508     -0.00000
   1276       0.8886     -0.00000
   1277       0.9005     -0.00000
   1278       0.9467     -0.00000
   1279       0.9630     -0.00000
   1280       1.0300     -0.00000
   1281       1.0667     -0.00000
   1282       1.0804     -0.00000
   1283       1.1174     -0.00000
   1284       1.1452     -0.00000
   1285       1.1864     -0.00000
   1286       1.2003     -0.00000
   1287       1.2551     -0.00000
   1288       1.3253     -0.00000
   1289       1.3462     -0.00000
   1290       1.3490     -0.00000
   1291       1.4470     -0.00000
   1292       1.5021     -0.00000
   1293       1.5351     -0.00000
   1294       1.5583     -0.00000
   1295       1.6054     -0.00000
   1296       1.6524     -0.00000
   1297       1.6694     -0.00000
   1298       1.7635     -0.00000
   1299       1.8151     -0.00000
   1300       1.8541     -0.00000
   1301       1.8978     -0.00000
   1302       1.9199     -0.00000
   1303       1.9358     -0.00000
   1304       1.9426     -0.00000
   1305       1.9730     -0.00000
   1306       2.0138     -0.00000
   1307       2.0251     -0.00000
   1308       2.0392     -0.00000
   1309       2.0559     -0.00000
   1310       2.0962     -0.00000
   1311       2.1294     -0.00000
   1312       2.1398     -0.00000
   1313       2.1506     -0.00000
   1314       2.1649     -0.00000
   1315       2.2008     -0.00000
   1316       2.2332     -0.00000
   1317       2.2381     -0.00000
   1318       2.2557     -0.00000
   1319       2.2762     -0.00000
   1320       2.2857     -0.00000
   1321       2.3119     -0.00000
   1322       2.3636     -0.00000
   1323       2.3707     -0.00000
   1324       2.4032     -0.00000
   1325       2.4134     -0.00000
   1326       2.4524     -0.00000
   1327       2.4705     -0.00000
   1328       2.4931     -0.00000
   1329       2.5033     -0.00000
   1330       2.5177     -0.00000
   1331       2.5390     -0.00000
   1332       2.5546     -0.00000
   1333       2.5711     -0.00000
   1334       2.5982     -0.00000
   1335       2.6340     -0.00000
   1336       2.6471     -0.00000
   1337       2.6521     -0.00000
   1338       2.6667     -0.00000
   1339       2.6791     -0.00000
   1340       2.7170     -0.00000
   1341       2.7303     -0.00000
   1342       2.7550     -0.00000
   1343       2.7628     -0.00000
   1344       2.8385     -0.00000
   1345       2.8599     -0.00000
   1346       2.8933     -0.00000
   1347       2.9534     -0.00000
   1348       3.0114     -0.00000
   1349       3.0359     -0.00000
   1350       3.0561     -0.00000
   1351       3.0779     -0.00000
   1352       3.0947     -0.00000
   1353       3.1149     -0.00000
   1354       3.1380     -0.00000
   1355       3.1551     -0.00000
   1356       3.1700     -0.00000
   1357       3.1945     -0.00000
   1358       3.2237     -0.00000
   1359       3.2539     -0.00000
   1360       3.2877     -0.00000
   1361       3.3387     -0.00000
   1362       3.4197     -0.00000
   1363       3.4738     -0.00000
   1364       3.5395     -0.00000
   1365       3.6043     -0.00000
   1366       3.6297     -0.00000
   1367       3.6825     -0.00000
   1368       3.7027     -0.00000
   1369       3.7537     -0.00000
   1370       3.7669     -0.00000
   1371       3.7779     -0.00000
   1372       3.7873     -0.00000
   1373       3.8053     -0.00000
   1374       3.8264     -0.00000
   1375       3.8584     -0.00000
   1376       3.8607     -0.00000
   1377       3.8978     -0.00000
   1378       3.9309     -0.00000
   1379       3.9316     -0.00000
   1380       3.9485     -0.00000
   1381       3.9529      0.00000
   1382       3.9676      0.00000
   1383       3.9807      0.00000
   1384       4.0098      0.00000
   1385       4.0223      0.00000
   1386       4.0382      0.00000
   1387       4.0567      0.00000
   1388       4.0662      0.00000
   1389       4.0869      0.00000
   1390       4.0917      0.00000
   1391       4.1053      0.00000
   1392       4.1156      0.00000
   1393       4.1286      0.00000
   1394       4.1429      0.00000
   1395       4.1482      0.00000
   1396       4.1667      0.00000
   1397       4.1721      0.00000
   1398       4.1866      0.00000
   1399       4.1983      0.00000
   1400       4.2034      0.00000
   1401       4.2093      0.00000
   1402       4.2234      0.00000
   1403       4.2418      0.00000
   1404       4.2701      0.00000
   1405       4.2729      0.00000
   1406       4.2954      0.00000
   1407       4.2979      0.00000
   1408       4.3098      0.00000
   1409       4.3129      0.00000
   1410       4.3310      0.00000
   1411       4.3490      0.00000
   1412       4.3651      0.00000
   1413       4.3800      0.00000
   1414       4.3867      0.00000
   1415       4.4004      0.00000
   1416       4.4315      0.00000
   1417       4.4472      0.00000
   1418       4.4594      0.00000
   1419       4.4752      0.00000
   1420       4.4842      0.00000
   1421       4.4936      0.00000
   1422       4.5121      0.00000
   1423       4.5298      0.00000
   1424       4.5392      0.00000
   1425       4.5623      0.00000
   1426       4.5742      0.00000
   1427       4.5929      0.00000
   1428       4.5988      0.00000
   1429       4.6091      0.00000
   1430       4.6190      0.00000
   1431       4.6457      0.00000
   1432       4.6573      0.00000
   1433       4.6877      0.00000
   1434       4.7059      0.00000
   1435       4.7114      0.00000
   1436       4.7350      0.00000
   1437       4.7626      0.00000
   1438       4.7982      0.00000
   1439       4.8202      0.00000
   1440       4.8363      0.00000
   1441       4.8436      0.00000
   1442       4.8768      0.00000
   1443       4.8998      0.00000
   1444       4.9083      0.00000
   1445       4.9347      0.00000
   1446       4.9531      0.00000
   1447       4.9674      0.00000
   1448       4.9717      0.00000
   1449       4.9809      0.00000
   1450       5.0016      0.00000
   1451       5.0242      0.00000
   1452       5.0256      0.00000
   1453       5.0520      0.00000
   1454       5.0740      0.00000
   1455       5.0823      0.00000
   1456       5.0968      0.00000
   1457       5.1023      0.00000
   1458       5.1043      0.00000
   1459       5.1181      0.00000
   1460       5.1334      0.00000
   1461       5.1483      0.00000
   1462       5.1593      0.00000
   1463       5.1832      0.00000
   1464       5.1898      0.00000
   1465       5.2020      0.00000
   1466       5.2153      0.00000
   1467       5.2204      0.00000
   1468       5.2345      0.00000
   1469       5.2520      0.00000
   1470       5.2653      0.00000
   1471       5.2685      0.00000
   1472       5.2805      0.00000
   1473       5.2854      0.00000
   1474       5.2949      0.00000
   1475       5.3125      0.00000
   1476       5.3235      0.00000
   1477       5.3354      0.00000
   1478       5.3564      0.00000
   1479       5.3634      0.00000
   1480       5.3720      0.00000
   1481       5.3780      0.00000
   1482       5.3936      0.00000
   1483       5.4045      0.00000
   1484       5.4173      0.00000
   1485       5.4203      0.00000
   1486       5.4278      0.00000
   1487       5.4405      0.00000
   1488       5.4436      0.00000
   1489       5.4626      0.00000
   1490       5.4669      0.00000
   1491       5.4792      0.00000
   1492       5.4871      0.00000
   1493       5.4927      0.00000
   1494       5.5056      0.00000
   1495       5.5149      0.00000
   1496       5.5239      0.00000
   1497       5.5293      0.00000
   1498       5.5558      0.00000
   1499       5.5697      0.00000
   1500       5.5755      0.00000
   1501       5.5824      0.00000
   1502       5.5913      0.00000
   1503       5.6026      0.00000
   1504       5.6283      0.00000
   1505       5.6311      0.00000
   1506       5.6416      0.00000
   1507       5.6439      0.00000
   1508       5.6521      0.00000
   1509       5.6563      0.00000
   1510       5.6638      0.00000
   1511       5.6841      0.00000
   1512       5.6925      0.00000
   1513       5.7025      0.00000
   1514       5.7254      0.00000
   1515       5.7368      0.00000
   1516       5.7412      0.00000
   1517       5.7459      0.00000
   1518       5.7538      0.00000
   1519       5.7701      0.00000
   1520       5.7754      0.00000
   1521       5.7842      0.00000
   1522       5.7938      0.00000
   1523       5.8057      0.00000
   1524       5.8178      0.00000
   1525       5.8266      0.00000
   1526       5.8313      0.00000
   1527       5.8366      0.00000
   1528       5.8402      0.00000
   1529       5.8547      0.00000
   1530       5.8708      0.00000
   1531       5.8749      0.00000
   1532       5.8786      0.00000
   1533       5.8867      0.00000
   1534       5.9093      0.00000
   1535       5.9113      0.00000
   1536       5.9259      0.00000
   1537       5.9370      0.00000
   1538       5.9386      0.00000
   1539       5.9517      0.00000
   1540       5.9604      0.00000
   1541       5.9646      0.00000
   1542       5.9672      0.00000
   1543       5.9809      0.00000
   1544       5.9893      0.00000
   1545       6.0063      0.00000
   1546       6.0108      0.00000
   1547       6.0305      0.00000
   1548       6.0392      0.00000
   1549       6.0497      0.00000
   1550       6.0519      0.00000
   1551       6.0562      0.00000
   1552       6.0713      0.00000
   1553       6.0797      0.00000
   1554       6.0918      0.00000
   1555       6.0953      0.00000
   1556       6.1074      0.00000
   1557       6.1141      0.00000
   1558       6.1239      0.00000
   1559       6.1267      0.00000
   1560       6.1385      0.00000
   1561       6.1506      0.00000
   1562       6.1574      0.00000
   1563       6.1634      0.00000
   1564       6.1791      0.00000
   1565       6.1831      0.00000
   1566       6.1922      0.00000
   1567       6.2068      0.00000
   1568       6.2123      0.00000
   1569       6.2182      0.00000
   1570       6.2214      0.00000
   1571       6.2371      0.00000
   1572       6.2411      0.00000
   1573       6.2613      0.00000
   1574       6.2648      0.00000
   1575       6.2748      0.00000
   1576       6.2917      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.084  13.407  -0.001   0.001  -0.000   0.001  -0.004   0.001
 13.407  17.824  -0.001   0.002  -0.000   0.002  -0.005   0.001
 -0.001  -0.001  -4.229   0.003   0.000   8.272  -0.004  -0.000
  0.001   0.002   0.003  -4.230   0.001  -0.004   8.272  -0.001
 -0.000  -0.000   0.000   0.001  -4.222  -0.000  -0.001   8.263
  0.001   0.002   8.272  -0.004  -0.000 -18.310   0.006   0.000
 -0.004  -0.005  -0.004   8.272  -0.001   0.006 -18.306   0.001
  0.001   0.001  -0.000  -0.001   8.263   0.000   0.001 -18.300
 total augmentation occupancy for first ion, spin component:           1
  8.454  -3.807   0.189   0.107  -0.049   0.024   0.021  -0.008
 -3.807   1.788  -0.097  -0.076   0.029  -0.011  -0.013   0.004
  0.189  -0.097   1.777  -0.065  -0.019   0.168  -0.011  -0.004
  0.107  -0.076  -0.065   1.907  -0.069  -0.011   0.179  -0.010
 -0.049   0.029  -0.019  -0.069   1.219  -0.004  -0.010   0.080
  0.024  -0.011   0.168  -0.011  -0.004   0.018  -0.002  -0.000
  0.021  -0.013  -0.011   0.179  -0.010  -0.002   0.018  -0.001
 -0.008   0.004  -0.004  -0.010   0.080  -0.000  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -55946.73536112276.46509 36620.95856-12778.94151  6634.92541 26776.78174
  Hartree  -722.61287139380.71665 74799.54007-13175.37030  4476.89768 21214.41993
  E(xc)  -10739.68568-10599.75004-10640.78820     2.71757     8.54963    30.05971
  Local   23290.89133************************ 25955.48698-11123.78811-47433.33590
  n-local -5858.16290 -5972.79884 -6031.55452     5.29822    14.07539   -54.76170
  augment  1490.21030  1536.94432  1486.16422     4.00029    12.13815    -2.30706
  Kinetic 45596.43620 43237.94003 43777.23553   -41.24987  -105.57726  -549.39960
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       18.1997397   -444.6931960    -61.0100363    -28.0586327    -82.7791034    -18.5428835
  in kB        3.0349523    -74.1561499    -10.1739119     -4.6790016    -13.8040781     -3.0921743
  external PRESSURE =     -27.0983699 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.294E+03 -.119E+03 0.250E+03   0.294E+03 0.119E+03 -.252E+03   -.896E-01 -.680E+00 0.139E+01   -.574E-04 0.697E-05 -.258E-04
   -.255E+03 -.142E+03 0.457E+02   0.255E+03 0.143E+03 -.454E+02   -.310E-01 -.149E+01 -.355E+00   -.456E-04 -.820E-05 -.483E-04
   -.215E+03 -.133E+03 0.153E+01   0.214E+03 0.135E+03 0.216E+00   0.371E+00 -.152E+01 -.158E+01   -.462E-04 -.540E-05 -.545E-04
   -.263E+03 -.110E+03 0.357E+03   0.263E+03 0.110E+03 -.359E+03   0.150E+00 0.362E-01 0.241E+01   -.533E-04 0.372E-05 -.301E-04
   -.220E+03 -.156E+03 0.317E+03   0.219E+03 0.157E+03 -.318E+03   0.173E+00 -.882E+00 0.860E+00   -.676E-04 -.108E-04 -.471E-04
   -.193E+03 -.120E+03 0.176E+03   0.193E+03 0.120E+03 -.177E+03   0.115E+00 -.274E+00 0.133E+00   -.773E-04 -.208E-04 -.324E-04
   -.311E+03 -.142E+03 0.189E+03   0.312E+03 0.146E+03 -.191E+03   0.209E+00 -.452E+01 0.959E+00   -.666E-04 -.513E-05 -.292E-04
   -.238E+03 -.122E+03 0.117E+02   0.239E+03 0.126E+03 -.127E+02   -.690E+00 -.419E+01 0.187E+01   -.314E-04 -.153E-04 -.879E-04
   -.139E+03 0.477E+01 0.208E+03   0.140E+03 -.480E+01 -.209E+03   0.467E-01 0.162E+00 0.297E+00   -.129E-03 -.146E-04 -.189E-04
   -.118E+03 0.906E+02 0.678E+02   0.118E+03 -.921E+02 -.666E+02   0.384E+00 0.176E+01 -.950E+00   -.124E-03 -.440E-05 -.284E-04
   -.128E+03 0.124E+03 0.136E+03   0.128E+03 -.125E+03 -.136E+03   0.478E+00 0.135E+01 0.138E+00   -.179E-03 -.141E-04 0.291E-05
   -.144E+03 0.685E+01 0.345E+03   0.145E+03 -.712E+01 -.346E+03   -.206E+00 0.337E+00 0.101E+01   -.193E-03 -.330E-04 -.455E-04
   -.142E+03 -.267E+02 0.382E+03   0.142E+03 0.276E+02 -.384E+03   0.148E+00 -.117E+01 0.224E+01   -.289E-03 -.505E-04 -.326E-04
   -.154E+03 0.429E+02 0.316E+03   0.154E+03 -.428E+02 -.318E+03   -.268E-01 0.405E-01 0.141E+01   -.274E-03 -.329E-04 0.201E-04
   -.165E+03 0.123E+03 0.295E+03   0.165E+03 -.126E+03 -.298E+03   0.498E+00 0.395E+01 0.232E+01   -.285E-03 -.112E-04 0.743E-04
   -.131E+03 0.149E+03 0.103E+03   0.131E+03 -.152E+03 -.106E+03   0.632E+00 0.332E+01 0.335E+01   -.142E-03 0.138E-04 -.162E-04
   -.134E+03 0.133E+03 0.645E+02   0.135E+03 -.129E+03 -.608E+02   -.657E+00 -.520E+01 -.382E+01   -.136E-03 0.403E-04 0.280E-04
   -.615E+02 0.216E+03 -.159E+03   0.610E+02 -.218E+03 0.160E+03   0.692E+00 0.205E+01 -.165E+01   -.818E-04 0.635E-04 -.233E-04
   -.315E+02 0.158E+03 -.208E+03   0.310E+02 -.159E+03 0.210E+03   0.675E+00 0.122E+00 -.229E+01   -.700E-04 0.672E-04 -.697E-06
   -.123E+03 0.133E+03 0.192E+03   0.124E+03 -.132E+03 -.195E+03   -.117E+01 -.122E+01 0.356E+01   -.134E-03 0.461E-04 0.760E-04
   -.570E+02 0.968E+02 -.294E+01   0.556E+02 -.988E+02 0.399E+01   0.146E+01 0.177E+01 -.124E+01   -.820E-04 0.541E-04 0.424E-04
   -.582E+02 0.284E+02 -.156E+03   0.583E+02 -.287E+02 0.158E+03   -.244E+00 0.104E+00 -.607E+00   -.722E-04 0.587E-04 0.115E-04
   -.819E+02 -.287E+02 -.204E+03   0.823E+02 0.290E+02 0.203E+03   -.240E+00 -.184E+00 0.511E+00   -.602E-04 0.356E-04 0.577E-05
   -.580E+02 -.841E+02 -.268E+03   0.591E+02 0.862E+02 0.267E+03   -.557E+00 -.197E+01 0.108E+01   -.572E-04 0.256E-04 0.504E-04
   -.381E+02 -.155E+03 -.375E+03   0.378E+02 0.156E+03 0.377E+03   0.328E+00 -.607E+00 -.173E+01   -.682E-04 -.804E-04 0.537E-04
   -.140E+03 -.169E+03 -.187E+03   0.141E+03 0.169E+03 0.185E+03   -.771E+00 -.161E+00 0.237E+01   -.365E-04 0.384E-06 -.272E-04
   -.111E+03 -.297E+03 -.223E+03   0.111E+03 0.298E+03 0.223E+03   -.118E+00 -.900E+00 0.403E+00   -.122E-04 -.102E-03 -.560E-04
   -.646E+02 -.264E+03 -.329E+03   0.648E+02 0.265E+03 0.330E+03   -.174E+00 -.121E+01 -.687E+00   -.341E-04 -.182E-03 -.224E-04
   -.496E+02 -.291E+02 -.268E+03   0.545E+02 0.381E+02 0.265E+03   -.510E+01 -.886E+01 0.440E+01   -.271E-04 0.713E-04 0.900E-04
   -.583E+02 0.679E+02 0.348E+02   0.533E+02 -.770E+02 -.308E+02   0.466E+01 0.953E+01 -.438E+01   -.894E-04 0.923E-04 0.630E-04
   -.205E+03 -.326E+02 -.514E+02   0.205E+03 0.326E+02 0.528E+02   0.134E+00 -.136E+00 -.191E+01   0.237E-05 0.438E-05 -.787E-04
   -.142E+03 -.156E+03 0.118E+03   0.141E+03 0.157E+03 -.118E+03   0.156E+00 -.167E+01 -.555E+00   0.365E-04 0.142E-04 -.531E-04
   -.167E+03 -.155E+03 0.158E+03   0.166E+03 0.156E+03 -.159E+03   -.382E-01 -.196E+01 0.745E+00   0.213E-04 0.407E-04 -.542E-04
   -.320E+03 0.698E+01 -.169E+03   0.320E+03 -.888E+01 0.172E+03   0.598E+00 0.193E+01 -.312E+01   -.845E-04 0.369E-04 -.122E-03
   -.309E+03 -.714E+02 -.197E+03   0.309E+03 0.715E+02 0.198E+03   0.296E+00 -.213E+00 -.127E+01   -.118E-03 0.458E-04 -.128E-03
   -.235E+03 -.662E+02 -.283E+02   0.235E+03 0.661E+02 0.286E+02   0.328E+00 0.187E+00 -.186E+00   -.389E-04 0.539E-04 -.901E-04
   -.103E+03 -.677E+02 -.235E+02   0.103E+03 0.724E+02 0.262E+02   -.187E+00 -.396E+01 -.297E+01   0.311E-04 -.287E-04 -.757E-04
   -.567E+02 -.158E+03 0.110E+03   0.566E+02 0.162E+03 -.107E+03   0.759E-01 -.350E+01 -.391E+01   0.564E-04 -.240E-04 -.275E-04
   -.203E+03 0.491E+02 -.399E+02   0.203E+03 -.493E+02 0.401E+02   0.206E+00 0.475E+00 -.255E+00   -.431E-04 0.674E-04 -.100E-03
   -.112E+03 0.664E+02 0.169E+03   0.112E+03 -.674E+02 -.171E+03   -.985E-01 0.173E+01 0.182E+01   -.167E-04 0.509E-04 -.823E-04
   -.575E+02 0.901E+02 0.961E+02   0.573E+02 -.916E+02 -.962E+02   0.310E+00 0.180E+01 0.238E+00   -.176E-04 0.162E-04 -.951E-04
   -.229E+03 0.853E+02 -.243E+03   0.229E+03 -.863E+02 0.244E+03   0.183E+00 0.926E+00 -.940E+00   -.989E-04 0.622E-04 -.139E-03
   -.186E+03 0.437E+02 -.317E+03   0.186E+03 -.439E+02 0.319E+03   -.455E-01 0.213E+00 -.226E+01   -.674E-04 0.361E-04 -.143E-03
   -.101E+03 0.671E+02 -.172E+03   0.101E+03 -.681E+02 0.173E+03   -.477E-01 0.921E+00 -.137E+01   -.224E-04 0.220E-04 -.110E-03
   -.383E+02 0.116E+03 -.116E+03   0.376E+02 -.120E+03 0.117E+03   0.631E+00 0.476E+01 -.572E+00   -.507E-05 0.682E-04 -.681E-04
   0.133E+02 0.952E+02 0.134E+03   -.140E+02 -.997E+02 -.134E+03   0.101E+01 0.465E+01 -.192E+01   -.327E-04 0.526E-05 -.533E-04
   0.551E+02 0.634E+02 0.956E+02   -.538E+02 -.576E+02 -.975E+02   -.136E+01 -.569E+01 0.170E+01   -.247E-04 -.148E-04 -.116E-06
   0.201E+02 0.145E+03 0.283E+03   -.190E+02 -.146E+03 -.285E+03   -.929E+00 0.156E+01 0.262E+01   -.576E-04 -.390E-04 0.173E-04
   -.139E+02 0.141E+03 0.241E+03   0.150E+02 -.140E+03 -.243E+03   -.804E+00 -.661E+00 0.210E+01   -.436E-04 -.156E-04 0.572E-04
   0.638E+02 0.858E+02 -.642E+02   -.645E+02 -.861E+02 0.676E+02   0.767E+00 0.160E+00 -.353E+01   -.862E-05 0.964E-05 0.973E-05
   0.219E+02 0.484E+02 0.540E+01   -.211E+02 -.501E+02 -.741E+01   -.933E+00 0.120E+01 0.166E+01   -.163E-05 -.861E-06 0.249E-04
   0.962E+01 0.309E+02 0.909E+02   -.915E+01 -.305E+02 -.920E+02   -.500E+00 -.527E+00 0.376E+00   -.160E-04 -.344E-05 0.598E-04
   -.105E+03 -.182E+02 0.447E+02   0.105E+03 0.184E+02 -.440E+02   0.105E+00 0.107E+00 -.367E+00   -.157E-04 0.350E-05 0.596E-04
   -.240E+03 -.340E+02 0.127E+03   0.239E+03 0.354E+02 -.124E+03   0.525E+00 -.788E+00 -.176E+01   -.414E-04 0.567E-04 0.455E-04
   -.308E+03 -.860E+02 0.184E+03   0.309E+03 0.863E+02 -.187E+03   -.109E+01 0.909E-01 0.336E+01   -.525E-04 0.491E-04 0.162E-04
   -.110E+03 -.143E+03 -.120E+03   0.109E+03 0.143E+03 0.122E+03   0.673E+00 0.683E+00 -.199E+01   -.166E-05 -.314E-04 0.179E-04
   -.152E+03 -.146E+03 -.172E+03   0.151E+03 0.147E+03 0.174E+03   0.650E+00 -.161E+01 -.265E+01   -.436E-05 -.273E-04 -.418E-04
   -.245E+03 -.665E+02 0.405E+02   0.245E+03 0.604E+02 -.386E+02   0.497E+00 0.612E+01 -.200E+01   -.334E-04 0.127E-04 -.265E-04
   -.252E+03 0.552E+01 0.177E+03   0.250E+03 0.483E+00 -.169E+03   0.228E+01 -.652E+01 -.850E+01   -.774E-04 0.819E-04 0.362E-04
   -.426E+02 0.150E+02 -.816E+02   0.449E+02 -.226E+02 0.742E+02   -.276E+01 0.732E+01 0.814E+01   0.408E-04 -.147E-05 0.241E-04
   -.427E+03 -.736E+02 0.831E+02   0.427E+03 0.744E+02 -.843E+02   -.259E+00 -.751E+00 0.169E+01   -.748E-04 0.388E-04 0.873E-04
   -.428E+03 -.990E+02 -.876E+02   0.429E+03 0.100E+03 0.877E+02   -.498E+00 -.158E+01 -.192E+00   0.338E-04 0.121E-04 0.363E-04
   -.374E+03 -.978E+02 -.125E+03   0.374E+03 0.991E+02 0.127E+03   0.259E+00 -.119E+01 -.160E+01   0.112E-03 0.129E-04 0.116E-04
   -.348E+03 -.694E+02 0.174E+03   0.348E+03 0.694E+02 -.177E+03   0.277E+00 -.238E+00 0.233E+01   -.994E-04 0.301E-04 0.139E-03
   -.294E+03 -.119E+03 0.134E+03   0.294E+03 0.119E+03 -.135E+03   0.140E+00 -.918E+00 0.726E+00   0.163E-04 0.499E-04 0.111E-03
   -.308E+03 -.858E+02 0.139E+02   0.308E+03 0.857E+02 -.139E+02   0.113E+00 -.293E+00 0.181E+00   0.107E-03 0.471E-04 0.465E-04
   -.447E+03 -.101E+03 0.270E+02   0.449E+03 0.103E+03 -.306E+02   0.495E-01 -.460E+01 0.100E+01   -.161E-03 0.555E-04 0.155E-03
   -.435E+03 -.886E+02 -.630E+02   0.436E+03 0.927E+02 0.618E+02   -.114E+01 -.421E+01 0.226E+01   0.224E-04 -.337E-04 0.328E-04
   -.255E+03 0.378E+02 0.410E+02   0.255E+03 -.379E+02 -.412E+02   -.623E-01 0.133E+00 0.263E+00   0.147E-03 0.626E-04 0.193E-04
   -.283E+03 0.119E+03 -.582E+02   0.283E+03 -.121E+03 0.595E+02   0.166E+00 0.191E+01 -.976E+00   0.150E-03 0.304E-04 -.192E-04
   -.291E+03 0.140E+03 0.840E+01   0.291E+03 -.142E+03 -.853E+01   0.284E+00 0.174E+01 0.358E+00   0.119E-03 0.107E-04 -.387E-04
   -.205E+03 0.396E+02 0.140E+03   0.205E+03 -.399E+02 -.142E+03   -.196E+00 0.312E+00 0.110E+01   0.140E-03 0.742E-04 0.431E-04
   -.204E+03 -.123E+02 0.156E+03   0.204E+03 0.134E+02 -.158E+03   0.867E-02 -.124E+01 0.245E+01   0.135E-03 0.622E-04 -.137E-04
   -.273E+03 0.446E+02 0.135E+03   0.273E+03 -.446E+02 -.136E+03   -.397E-01 0.235E+00 0.150E+01   0.119E-03 0.189E-04 -.556E-04
   -.311E+03 0.103E+03 0.134E+03   0.311E+03 -.107E+03 -.137E+03   0.134E+00 0.417E+01 0.238E+01   0.862E-04 0.177E-04 -.744E-04
   -.324E+03 0.162E+03 0.721E+02   0.324E+03 -.166E+03 -.748E+02   0.882E-01 0.372E+01 0.366E+01   0.705E-04 -.129E-05 -.523E-04
   -.322E+03 0.109E+03 0.108E+03   0.322E+03 -.105E+03 -.104E+03   0.781E-01 -.500E+01 -.379E+01   0.250E-04 0.190E-04 -.838E-04
   -.195E+03 0.213E+03 0.357E+02   0.195E+03 -.215E+03 -.336E+02   0.435E+00 0.222E+01 -.187E+01   0.550E-05 0.293E-04 -.478E-04
   -.978E+02 0.124E+03 0.717E+02   0.970E+02 -.124E+03 -.698E+02   0.951E+00 0.191E+00 -.224E+01   -.821E-05 0.672E-04 -.211E-04
   -.360E+03 0.910E+02 0.198E+03   0.361E+03 -.903E+02 -.201E+03   -.818E+00 -.125E+01 0.327E+01   0.180E-04 -.353E-05 -.492E-04
   -.308E+03 0.839E+02 0.113E+03   0.307E+03 -.862E+02 -.111E+03   0.617E+00 0.178E+01 -.118E+01   -.449E-05 -.375E-05 -.795E-05
   -.186E+03 0.162E+02 0.887E+02   0.186E+03 -.166E+02 -.879E+02   0.140E+00 -.493E-01 -.508E+00   -.159E-04 0.478E-04 -.872E-05
   -.146E+03 -.310E+01 0.120E+03   0.146E+03 0.349E+01 -.121E+03   0.139E+00 -.503E-01 0.865E+00   -.109E-04 0.348E-04 -.131E-04
   -.510E+02 -.501E+02 0.806E+02   0.522E+02 0.521E+02 -.821E+02   -.151E+01 -.220E+01 0.114E+01   0.146E-04 0.427E-04 -.494E-04
   0.768E+01 -.620E+02 -.259E+02   -.875E+01 0.610E+02 0.296E+02   0.118E+01 0.120E+01 -.390E+01   0.306E-04 0.168E-04 -.475E-04
   -.228E+03 -.131E+03 0.155E+03   0.229E+03 0.131E+03 -.157E+03   -.106E+01 -.198E+00 0.216E+01   -.245E-05 -.959E-05 -.121E-04
   -.126E+03 -.226E+03 0.190E+03   0.126E+03 0.227E+03 -.191E+03   -.818E+00 -.197E+01 0.176E+01   0.413E-05 -.833E-05 -.146E-04
   -.144E+02 -.100E+03 0.101E+03   0.145E+02 0.962E+02 -.105E+03   0.105E+00 0.484E+01 0.380E+01   0.284E-04 -.188E-04 -.269E-04
   -.230E+00 -.472E+02 0.686E+02   0.435E+01 0.568E+02 -.734E+02   -.364E+01 -.960E+01 0.537E+01   0.348E-04 0.357E-04 -.414E-04
   -.367E+03 0.665E+02 0.100E+03   0.365E+03 -.760E+02 -.963E+02   0.246E+01 0.103E+02 -.441E+01   -.461E-05 -.477E-05 0.146E-04
   -.227E+03 -.318E+02 -.117E+03   0.227E+03 0.319E+02 0.118E+03   0.568E-02 -.236E+00 -.181E+01   0.741E-04 -.231E-04 -.635E-04
   -.179E+03 -.170E+03 0.482E+02   0.179E+03 0.172E+03 -.479E+02   0.562E+00 -.150E+01 -.514E+00   0.495E-04 0.112E-05 -.572E-04
   -.194E+03 -.176E+03 0.950E+02   0.194E+03 0.178E+03 -.963E+02   -.321E+00 -.178E+01 0.768E+00   0.206E-04 0.377E-04 -.477E-04
   -.299E+03 0.311E+02 -.209E+03   0.299E+03 -.324E+02 0.212E+03   0.874E-01 0.155E+01 -.254E+01   0.570E-04 0.144E-04 -.238E-04
   -.280E+03 -.559E+02 -.176E+03   0.280E+03 0.559E+02 0.177E+03   0.386E+00 -.324E+00 -.133E+01   0.386E-04 0.435E-04 0.487E-05
   -.223E+03 -.854E+02 -.264E+02   0.223E+03 0.853E+02 0.265E+02   0.225E+00 0.132E+00 -.217E+00   0.275E-04 0.589E-04 -.197E-04
   -.149E+03 -.648E+02 -.113E+03   0.149E+03 0.683E+02 0.116E+03   -.299E+00 -.409E+01 -.302E+01   0.664E-04 -.769E-04 -.919E-04
   -.130E+03 -.165E+03 0.187E+02   0.130E+03 0.169E+03 -.158E+02   0.103E+00 -.326E+01 -.386E+01   0.201E-04 -.458E-04 -.636E-04
   -.169E+03 0.329E+02 0.305E+02   0.169E+03 -.331E+02 -.303E+02   -.853E-02 0.481E+00 -.144E+00   0.147E-04 0.737E-04 -.898E-05
   -.894E+02 0.414E+02 0.171E+03   0.895E+02 -.424E+02 -.173E+03   -.334E+00 0.146E+01 0.178E+01   -.123E-04 0.665E-04 -.551E-04
   -.153E+02 0.671E+02 0.141E+03   0.151E+02 -.685E+02 -.141E+03   0.158E+00 0.171E+01 0.294E+00   -.199E-05 0.770E-05 -.614E-04
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 -----------------------------------------------------------------------------------------------
   -.760E+01 0.149E+02 0.239E+02   -.244E-10 0.182E-11 0.182E-11   0.761E+01 -.149E+02 -.239E+02   0.142E-02 0.512E-02 0.294E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.84427      3.16933      1.41455         0.122083     -0.257451      0.076853
     12.67062      3.61066      2.72797         0.067878     -0.420811     -0.071013
     12.62709      4.98605      3.03386         0.123676     -0.220723      0.166940
     12.89255      4.07609      0.37058         0.231166      0.112147     -0.012285
     12.89113      5.43928      0.68310         0.051599     -0.214687     -0.124350
     12.79065      5.95385      1.99826         0.026596     -0.307832     -0.064089
     12.90373      1.67843      1.37643         0.451967     -0.336001     -0.780143
     12.47382      2.35605      3.57032        -0.236904      0.141860      0.860118
     12.88619      7.43798      2.22545         0.095607      0.129267      0.041680
     12.81592      8.03794      3.50711         0.150831      0.268467      0.253238
     13.10997      9.40279      3.65252         0.220387      0.435852      0.229726
     13.14195      8.32525      1.14764         0.074302      0.063979     -0.202147
     13.33086      9.70603      1.28500         0.238262     -0.311579     -0.131268
     13.35494     10.23386      2.56217         0.114721      0.052446      0.060421
     13.60141     11.63152      3.02052        -0.026322      1.046259     -0.678235
     13.25510     10.27126      4.88110         0.027127     -0.462560      0.981971
     13.66186     12.79360      5.29977        -0.158090     -0.916314     -0.060918
     13.31156     12.69600      6.64772         0.169681      0.569248      0.216982
     13.35354     13.81399      7.47919         0.166032     -0.164402     -0.424329
     13.95942     14.09067      4.83814        -0.175340     -0.539348      0.568206
     13.97001     15.19826      5.70919         0.080522     -0.193466     -0.195683
     13.70652     15.12179      7.10336        -0.144600     -0.230205      0.675463
     13.73513     16.24624      8.14965         0.151835      0.127721     -0.134296
     13.19983     16.19576      9.49001         0.524976      0.176792     -0.144750
     13.35399     17.27678     10.37714         0.019004      0.042086      0.078640
     14.29228     17.51368      7.84594         0.101038      0.148893      0.395941
     14.35790     18.61085      8.70298        -0.093817     -0.266315      0.290578
     13.92698     18.49868     10.02131         0.008386     -0.009983     -0.172855
     12.50097     15.01317     10.09455        -0.148331      0.068661      0.592357
     14.44959     16.44940      5.07015        -0.374580      0.449426     -0.388951
      9.67100      3.85772      4.81919         0.062794     -0.155685     -0.493303
      9.82884      4.80705      3.81297        -0.087510     -0.490625     -0.129204
      9.98975      6.15761      4.12973        -0.154455     -0.175519     -0.320542
      9.62190      4.22305      6.14102         0.151336      0.031098     -0.009883
      9.71154      5.56959      6.45917         0.042287     -0.105981      0.069105
      9.92167      6.56621      5.48068        -0.011920      0.077202      0.123226
      9.54219      2.49362      4.24680        -0.000623      0.763019     -0.211310
      9.83718      4.06219      2.50721        -0.035667     -0.033905     -0.831814
     10.04020      7.99663      5.87190         0.047457      0.214466     -0.040653
     10.28469      8.98102      4.88988        -0.096127      0.668773     -0.142425
     10.32301     10.32729      5.26197         0.084682      0.243898      0.065288
      9.89986      8.44350      7.21082         0.049862     -0.066062     -0.048181
     10.01468      9.78490      7.58655        -0.082864      0.057868     -0.095713
     10.21832     10.73181      6.59511        -0.081504     -0.013071     -0.263887
     10.35564     12.20636      6.67845        -0.032604      0.501142      0.517583
     10.56050     11.55863      4.44669         0.316557      0.156293     -1.839580
     10.89094     14.05202      4.99249        -0.079095      0.113191     -0.157166
     11.36437     14.39838      3.72054         0.121151      0.478604      0.068289
     11.71343     15.72246      3.43537         0.252463     -0.270713      0.299063
     10.85037     15.12461      5.91861         0.042483     -0.132124     -0.165192
     11.13326     16.47955      5.59289        -0.100986     -0.507907     -0.345617
     11.58875     16.85165      4.28093        -0.030810     -0.222835     -0.679891
     12.02189     18.23314      3.76106         0.019955      0.219652      0.349479
     12.50665     18.59097      2.44405         0.061486      0.619996      0.352440
     12.67188     19.96579      2.12843         0.018759      0.435371      0.212452
     11.91552     19.34911      4.62668         0.106091      0.331389     -0.467275
     12.10556     20.70456      4.32916         0.063630     -0.739025     -0.033576
     12.50255     21.05911      3.04293        -0.135321     -0.014415     -0.165072
     12.81112     17.64655      1.26456         0.320197     -0.514703     -0.549371
     10.86988     17.44642      6.72107        -0.442172     -0.227288      0.688711
     10.17199      7.15711     14.59217        -0.038403      0.006779      0.411079
     10.07134      7.60879     15.91869        -0.157556     -0.642136     -0.117893
     10.04382      8.97522     16.22765         0.129302      0.146725      0.210010
     10.19664      8.09267     13.55922         0.164524     -0.209547      0.018879
     10.22293      9.46209     13.88065         0.066247     -0.229399     -0.329000
     10.17517      9.96655     15.20261         0.151888     -0.331361      0.158174
     10.08492      5.66490     14.58424         1.202329     -1.959330     -2.538630
      9.79646      6.37979     16.78106        -0.122876     -0.106548      1.114501
     10.25849     11.45388     15.48761         0.088824      0.036457      0.060188
     10.18456     12.00774     16.79442         0.152642      0.115317      0.305199
     10.37924     13.38613     16.99291         0.261824      0.507344      0.220188
     10.46411     12.38895     14.43896         0.106378      0.042482     -0.205657
     10.60994     13.76810     14.62936         0.211552     -0.182758     -0.108190
     10.59013     14.25558     15.92507         0.156480      0.162714      0.043692
     10.72429     15.66387     16.40700        -0.052742      0.516591     -0.235006
     10.37673     14.25502     18.23996         0.048664      0.004359      0.889746
     10.54992     16.85402     18.65628         0.109879     -0.517546     -0.054006
     10.16722     16.77604     19.99169         0.070455      0.747155      0.193705
     10.00002     17.94552     20.75091         0.118964     -0.166988     -0.334145
     10.78782     18.18412     18.18556         0.155958     -0.576793      0.286329
     10.75623     19.32396     19.02187        -0.092933     -0.516428      0.163193
     10.31684     19.27682     20.39628        -0.063608     -0.399912      0.269655
     10.15756     20.42753      0.15386         0.374338      0.339867      0.004129
      9.71657     20.34374      1.52634        -0.362691     -0.205877     -0.340101
      9.60951      0.20108      2.36985         0.106276      0.149135     -0.161407
     10.51366      0.51684     21.11745         0.165871     -0.111766      0.147364
     10.26111      1.66071      0.61593        -0.364650     -0.415096      0.281847
      9.79400      1.52359      1.93813         0.215287      0.786001     -0.497426
      9.26630     19.07790      2.21995         0.482864      0.020341      0.598848
     11.13805     20.61060     18.38301         0.248914      0.827325     -0.505876
      7.03473      7.63914     17.54245         0.086126     -0.217751     -0.364452
      7.14683      8.59709     16.53820         0.282084     -0.110001     -0.227322
      7.36607      9.94693     16.85549        -0.232795     -0.131882     -0.443960
      7.07705      8.00029     18.87512         0.164220      0.284992      0.104508
      7.12534      9.36515     19.18291         0.077409     -0.323343     -0.095010
      7.27735     10.37703     18.19995        -0.009326      0.004457     -0.075569
      6.86519      6.28954     16.93527        -0.214146     -0.526087      0.269189
      7.14279      7.86986     15.21230         0.148950      0.079475     -0.967511
      7.31105     11.82821     18.57947         0.002557      0.282335      0.024284
      7.52703     12.89115     17.65871        -0.173940      0.484735     -0.176778
      7.45959     14.22900     18.09176        -0.103915      0.321718      0.125556
      7.08924     12.21323     19.91724         0.050174      0.085997      0.088291
      7.07888     13.54005     20.35842         0.048987      0.073709     -0.044614
      7.24434     14.55852     19.43807        -0.044750      0.072830     -0.373437
      7.27241     16.04286     19.61818        -0.191523      0.301364      0.836990
      7.67174     15.53354     17.36415         0.307469      0.051532     -1.348138
      7.72230     18.01483     18.07119        -0.215344      0.188681     -0.059485
      8.34719     18.43487     16.89075        -0.010069      0.426985      0.255656
      8.64785     19.78694     16.68992         0.130864     -0.533191      0.260576
      7.42700     19.06399     18.98985         0.054860     -0.074778     -0.301716
      7.57960     20.44532     18.67003        -0.084742     -0.660308     -0.404249
      8.20729     20.88273     17.46050         0.064829     -0.102978     -0.610528
      8.59390      1.03843     16.99464        -0.000012      0.228281      0.251751
      9.04058      1.35129     15.67005         0.433102      0.526924      0.257330
      9.40311      2.71109     15.34692         0.136226      0.210979     -0.046788
      8.61422      2.17021     17.87585         0.443087      0.299591     -0.371332
      8.98627      3.49580     17.56179         0.064424     -0.888716     -0.338317
      9.42416      3.81119     16.25552        -0.090229     -0.056423      0.317104
      9.33089      0.35200     14.51291        -0.153020     -1.744811     -0.063340
      7.10591      0.15034     19.70726        -0.957992     -0.155799      0.525289
      7.00577     10.85764      6.11182        -0.109135     -0.095770      0.168338
      6.82591     11.34171      7.41307        -0.055918     -0.227772     -0.027392
      6.95260     12.70601      7.72507        -0.150633     -0.441914      0.105418
      7.35327     11.72559      5.09018        -0.131455      0.052894      0.054454
      7.48209     13.08566      5.40369        -0.117216     -0.165803     -0.176400
      7.27145     13.63050      6.69661        -0.119202     -0.112897     -0.025117
      6.88582      9.36612      6.09830         0.137276      0.442767      0.077253
      6.58295     10.14127      8.29709         0.188534      0.069477      0.301939
      7.37419     15.11077      6.92758        -0.100638      0.064322      0.003811
      7.11985     15.73524      8.17362        -0.108218      0.383138      0.180461
      7.23979     17.13489      8.28807        -0.091805      0.262356      0.164028
      7.72978     15.96973      5.86125        -0.086682      0.320527     -0.220401
      7.77580     17.36238      5.95664        -0.204681     -0.164780      0.055936
      7.53910     17.94780      7.19235        -0.150327      0.206738      0.298269
      7.72154     19.38024      7.64004        -0.051560     -0.048756      0.032331
      7.17452     18.02974      9.50265         0.163601     -0.033079      0.392811
      7.52400     20.58854      9.88994         0.115710     -0.305122     -0.089519
      7.06697     20.54392     11.21284         0.103162      0.596334      0.219117
      6.91178      0.44972     11.98772         0.066669     -0.480945     -0.597985
      7.90701      0.63071      9.46333        -0.065639     -0.269712      0.383994
      7.92923      1.74232     10.37007         0.137887     -0.470132     -0.092840
      7.42729      1.73659     11.70741        -0.280017     -0.073608      0.412618
      7.37096      2.91323     12.75888         0.012550      0.628964      0.365921
      6.87252      2.91573     14.12320         0.146569     -0.758379     -0.450052
      6.75277      4.01946     14.98288         0.348819      0.029777     -0.628201
      7.80438      4.23964     12.51724         0.083217     -0.156664      0.212882
      7.63172      5.39040     13.31137        -0.039861      0.143899     -0.073526
      7.07481      5.33246     14.60235         0.393231      0.346557     -0.375160
      6.24027      1.69544     14.72116        -0.084488      1.772000     -0.114434
      8.53150      2.96901      9.81141         0.451241      0.091590     -0.747122
      4.02911     11.51157     10.77988         0.041542     -0.277694     -0.311204
      3.75572     12.39920      9.73591         0.039639     -0.202694     -0.223080
      3.82172     13.78119      9.91629        -0.001943     -0.328880     -0.205623
      4.37145     11.97886     12.03483         0.052600      0.092282     -0.067374
      4.42659     13.36258     12.22153         0.060031     -0.092551      0.030347
      4.16735     14.29489     11.18831         0.042328      0.161470     -0.082149
      3.86513     10.11056     10.30402        -0.024756     -0.476682      0.244796
      3.39088     11.58754      8.52258        -0.041444     -0.119926     -0.235040
      4.26919     15.77313     11.41394         0.012184      0.010228     -0.154616
      4.09104     16.70357     10.35142         0.079796      0.327480      0.022541
      4.16283     18.07965     10.61712         0.059874      0.621778      0.132796
      4.59636     16.28668     12.69141         0.136578      0.090822      0.011636
      4.75797     17.64582     12.92978        -0.212763      0.464400     -0.748129
      4.45860     18.54059     11.90174        -0.090325      0.122057      0.127171
      4.42909     20.04844     11.96463        -0.414092     -3.839564     -4.621944
      4.19356     19.30645      9.71027         0.086749     -0.065129      0.691032
      4.52293      0.62600     10.15947        -0.109694     -0.370504     -0.435896
      4.85330      0.93611      8.82972         0.132516      0.777643      0.172118
      5.21530      2.25421      8.47774        -0.230953     -0.276194      0.122056
      4.50100      1.75993     11.00924        -0.088663     -0.056153     -0.046301
      4.79755      3.11446     10.63103        -0.180016     -0.430463     -0.393623
      5.29241      3.41129      9.30806         0.212952     -0.167920     -0.679877
      5.85786      4.80135      8.70186         0.070414     -0.274528      0.825444
      6.32440      5.09990      7.37350         0.491324      0.664530      0.366155
      6.59156      6.45676      6.99897         0.207602     -0.251723     -0.087742
      5.83534      5.94828      9.51814         0.600650      1.167879     -0.801937
      6.13490      7.28528      9.16603        -0.152574     -1.197856     -0.311411
      6.48645      7.58582      7.84435        -0.298379      0.087886      0.591010
      6.43171      4.03805      6.28003         0.544031     -0.111568     -0.173516
      4.61050      4.10910     11.76991        -0.758497     -0.449927      1.030795
      1.20420     14.35788      0.74118        -0.154384     -0.333285     -0.079346
      1.77858     14.77741      1.94433        -0.244048     -0.396965      0.019169
      1.71281     16.14271      2.28947        -0.018158      0.068901      0.180097
      0.74988     15.24556     21.02997        -0.186893      0.245175      0.759078
      0.77393     16.60116      0.10121        -0.020420     -0.744496     -0.224794
      1.16875     17.09725      1.36261         0.029366     -0.033530     -0.030115
      1.23000     12.88785      0.64854        -0.395681     -0.685532     -0.535595
      2.39719     13.50903      2.57893         0.246104     -0.414474      0.801532
      1.03980     18.59348      1.56118        -0.224033     -0.081489     -0.101062
      1.39596     19.26680      2.75103        -0.039048      0.161873      0.388259
      1.21962     20.65271      2.83297        -0.101209      0.446574     -0.089428
      0.54025     19.41107      0.49925        -0.097107      0.083291      0.063220
      0.36965     20.79512      0.58326        -0.155604     -0.215580     -0.354756
      0.69716      0.14387      1.76716         0.164841      0.172010      0.612175
      0.71881      1.59775      2.08586        -0.205360      0.006605     -0.106335
      1.62117      0.36713      3.90157         0.189718      0.054296      0.290967
      1.47107      2.94696      4.05723        -0.026116     -0.233828     -0.074537
      2.03530      2.93145      5.32182        -0.200295      0.337120     -0.008691
      2.18272      4.10829      6.03216        -0.311606      0.059497     -0.341120
      1.08876      4.23126      3.59217         0.082259     -0.482526      0.278613
      1.29054      5.40184      4.35502        -0.332669      0.020220     -0.159379
      1.89227      5.44507      5.64496         0.190665     -0.446823      0.241384
      2.23653      6.68599      6.49885        -0.153471     -0.004335      0.005363
      2.77210      6.63585      7.80708        -0.216784     -0.084660     -0.121193
      3.25353      7.73695      8.55545        -0.381812     -0.450102     -0.023390
      2.15195      8.03791      6.09788         0.237807      0.671789      0.756425
      2.58060      9.17141      6.81719         0.125427     -0.385321     -0.055346
      3.14437      9.04754      8.11032        -0.212838      1.042950     -0.476566
      2.97509      5.32471      8.46267         0.559881      0.122334     -0.503033
      0.70591      6.62707      3.74463        -0.158732      0.688020     -0.722177
      4.66646     14.07767      0.71567         0.031277     -0.074609     -0.164007
      3.99437     14.99674     -0.09591        -0.024553     -0.076795     -0.024065
      3.97628     16.36663      0.27655         0.022764      0.377897     -0.151736
      5.38994     14.51275      1.82221         0.128299      0.283824     -0.014039
      5.41616     15.88210      2.13921         0.043120     -0.232856     -0.070448
      4.69826     16.87734      1.41772        -0.024871     -0.328538     -0.232769
      4.52258     12.69519      0.17075         0.308804     -0.744400      0.418205
      3.36975     14.17597     20.01668        -0.435833      0.003428     -0.645502
      4.76250     18.35150      1.87099        -0.054824      0.232514     -0.084617
      4.08329     19.44903      1.24411        -0.010167     -0.007096     -0.149670
      4.22860     20.77289      1.71854         0.022697      0.317778     -0.034796
      5.56908     18.72629      2.98447         0.084354      0.064272      0.161314
      5.72509     20.03880      3.46452        -0.107242     -0.126218     -0.193836
      5.03569     21.05736      2.82431         0.049247      0.256823     -0.075209
      5.05948      1.27714      3.10835        -0.104130     -0.260557     -0.371633
      3.66976      0.85684      1.23735         0.045990      0.211105     -0.266001
      3.88290      3.32822      2.13135         0.459884     -0.282314      0.073333
      3.02257      3.90666      1.20127         0.008453      0.058239     -0.331270
      2.75042      5.27699      1.17493        -0.230753      0.046756      0.256201
      4.35703      4.27705      3.07094        -0.228475     -0.387015     -0.436315
      4.10670      5.67030      2.94867         0.374696      0.150269     -0.063016
      3.37173      6.33094      1.94612        -0.555490      0.030261     -0.482495
      3.15084      8.00621      1.84230         0.705736     -0.479835      0.507364
      2.20478      8.61992      0.98647         0.543531      0.071507      0.021044
      1.97872     10.00755      0.82627        -0.259159     -0.697391      0.036004
      3.73271      9.00836      2.67961        -0.919217      1.029384     -0.468970
      3.35878     10.39126      2.67404        -0.186197     -0.426652      0.079451
      2.48892     10.97788      1.71245         0.143032     -0.564858      0.793364
      1.60571      7.65543      0.04870        -0.691551      0.400830     -0.871722
      4.77005      6.48113      3.98503        -0.012909      0.066289      0.704356
     18.26999     17.32136     13.39113        -0.148697     -0.200606      0.356858
     19.30961     17.83065     14.16889        -0.089233     -0.410977      0.197672
     19.53626     19.20759     14.30063         0.069723     -0.454866      0.218226
     17.42601     18.18811     12.71526        -0.226688      0.228345      0.066162
     17.61946     19.56487     12.88967        -0.043518     -0.036807     -0.053022
     18.65746     20.12322     13.67840         0.032906     -0.096208     -0.003692
     18.25822     15.83033     13.47824        -0.709358     -0.770554     -0.376401
     20.04346     16.64593     14.73737         0.908284      0.124270      0.888127
     18.79427      0.34488     13.88248         0.031259      0.196948      0.153513
     19.83830      0.91823     14.65655         0.007859      0.544375      0.366887
     19.80124      2.29208     14.97190        -0.072411      0.335340      0.395177
     17.80901      1.24059     13.40534        -0.271917      0.156287     -0.075676
     17.79584      2.61774     13.66956         0.093807     -0.068495      0.254254
     18.79939      3.13924     14.48196         0.082209      0.095164      0.189364
     18.98906      4.53654     15.01980         0.112467      0.001336     -0.152398
     20.62685      3.11875     15.95002         0.490992     -0.394778      0.647783
     20.69626      5.62356     16.61932         0.258634      0.036241      0.065425
      0.75728      5.59317     17.13069        -0.836793     -0.124224     -0.291172
      1.40588      6.77645     17.47409         0.238462     -0.092640     -0.458435
     20.13077      6.93414     16.61732         0.412783     -0.589367     -0.033289
     20.75096      8.06371     17.22257         0.582954     -0.337037      0.543170
      0.85702      8.04563     17.73419        -0.388934     -0.015351     -0.498976
      1.73382      9.18490     18.35394        -1.327276      1.055562      0.172548
      3.03438      9.11677     18.98192         0.078134     -0.128342     -0.398065
      3.65988     10.22470     19.60383        -0.210229      0.571187      0.432907
      1.15568     10.47425     18.57993         1.482801     -0.302161      0.291075
      1.85160     11.61667     19.06182        -0.998661      0.301874     -0.503995
      3.11528     11.55612     19.63162         0.133264     -0.212087     -0.164848
      3.93354      7.89153     18.90685        -0.948894     -1.163377     -0.075486
     19.84158      9.24483     17.36455        -0.174939     -0.358914      0.467900
      2.03479     18.15557     14.12564         0.129207      0.100686     -0.154542
      1.28254     19.13154     13.48541        -0.129726     -0.448505     -0.397647
      1.41715     20.48254     13.77969        -0.428514     -0.348938     -0.119006
      3.02021     18.53258     15.02547         0.231740      0.146932      0.116848
      3.25079     19.89690     15.21906        -0.070713     -0.022384      0.334730
      2.39982     20.90454     14.69115        -0.084297      0.129843      0.130381
      1.71135     16.83594     13.56679        -0.162061     -1.546339      0.818207
      0.41621     18.43130     12.48799        -0.736661     -0.241037     -1.040311
      2.55706      1.09442     14.99939        -0.181461      0.135815     -0.049833
      1.79927      2.07139     14.31168        -0.005509      0.710701     -0.001223
      2.09763      3.42622     14.50958        -0.062299      0.788035      0.243824
      3.52225      1.55495     15.91465        -0.239003     -0.061202      0.301711
      3.79163      2.91017     16.14090        -0.373452      0.210216     -0.260258
      3.08947      3.84493     15.39780         0.014369      0.011288      0.028878
      3.19001      5.34496     15.43321        -2.226397     -2.026143     -1.606026
      1.41018      4.68332     14.06751        -2.342882      0.286434     -1.268541
      1.58351      7.22459     14.65459        -0.258557     -0.223460     -0.632316
      0.31649      7.52434     14.13178        -0.426972      0.462432      0.008734
     21.06329      8.83150     14.16811         0.016071      0.029688      0.195500
      2.22906      8.35781     15.24982        -0.117001     -0.532250     -0.274513
      1.72159      9.68157     15.23044        -0.188379     -0.392063     -0.240270
      0.42286      9.99796     14.68373        -0.109020     -0.219428     -0.423647
     20.93201     11.34381     14.65594         0.049687      0.191127      0.098600
     19.59199     11.60569     14.14136         0.265970      0.464733      0.120439
     19.13792     12.93448     14.01802         0.111693      0.537783      0.232560
      0.31761     12.54232     15.05320        -0.027885      0.084604     -0.333845
     -0.16789     13.85113     15.03303         0.007347     -0.522233      0.053070
     19.83274     14.09116     14.48542         0.095722      0.167793      0.165122
     18.59672     10.59960     13.54904        -0.753704     -0.255532      0.098987
      2.62036     10.71523     15.85131         0.805270     -0.260316     -0.200878
     16.11999      0.42407      5.16067         0.206353     -0.157609      0.288097
     16.94799      0.90921      6.18396        -0.055503     -0.190215     -0.118265
     17.03630      2.28291      6.46038         0.019422     -0.256788      0.198447
     15.28474      1.28885      4.48505        -0.018003      0.090639      0.079496
     15.34330      2.65345      4.79721        -0.037435     -0.081400     -0.009346
     16.23436      3.21135      5.74294        -0.111577     -0.120344      0.029625
     16.36649     20.22684      4.94009        -0.191382     -0.247978     -0.304452
     17.67573     20.98229      6.75991         0.019580     -0.231404      0.672812
     16.28246      4.70271      5.97750        -0.082323     -0.062196      0.041703
     17.15940      5.30627      6.91102        -0.004360      0.335332      0.272323
     17.11246      6.69392      7.12732        -0.039294      0.150171      0.213642
     15.40302      5.58127      5.29600        -0.080019      0.201235     -0.078797
     15.37268      6.96887      5.49230         0.084890     -0.170774     -0.028112
     16.25105      7.52709      6.40486         0.155064      0.109200      0.257412
     16.42018      8.95156      6.84345        -0.042782      0.011050      0.032909
     17.78968      7.54515      8.17599        -0.348025      0.075549      0.260906
     17.83991     10.10814      8.60332        -0.171164     -0.240833     -0.135068
     18.86504      9.99085      9.53259         0.041930      0.680950      0.300428
     19.42895     11.12347     10.13455        -0.266315     -0.302470     -0.403382
     17.40540     11.44511      8.37356         0.188174     -0.195171      0.173475
     17.91699     12.56054      9.09354        -0.127436     -0.580116      0.117750
     18.98828     12.46195     10.05895         0.343847     -0.135694      0.062865
     19.73387     13.58458     10.83732        -0.150124      0.457116     -0.145025
     20.96760     13.49759     11.58045        -0.019081     -0.612604     -0.183707
      0.37248     14.58506     12.13370         0.007391      0.795367      0.087578
     19.29421     14.93690     10.84872        -0.385936     -0.339267     -0.186735
     19.97758     16.06442     11.32956        -0.157990     -0.035390      0.116058
     21.20708     15.91315     12.00000        -0.537836      0.771142     -0.419084
      0.51263     12.24621     11.79724         0.286580     -0.202649      0.018442
     17.22226     13.84106      8.77082        -0.206002      0.513316     -0.555045
     20.32850      1.28368      6.15016        -0.108158     -0.056146     -0.193093
     19.77882      2.34900      5.41454        -0.007655     -0.070476      0.009058
     19.83300      3.65557      5.87054        -0.100987     -0.223602     -0.400207
     20.86130      1.50759      7.41111         0.074024      0.174343     -0.034387
     20.92795      2.83095      7.86309        -0.061289     -0.044634     -0.139415
     20.45497      3.93419      7.10256        -0.026537      0.180423      0.155037
     20.10417      0.01817      5.39566         0.316209     -0.605307     -0.520535
     19.04676      1.79369      4.22965        -0.049870     -0.457829     -0.186624
     20.59725      5.36019      7.52973        -0.202791     -0.431074      0.171911
     20.19021      6.38660      6.66257         0.035537      0.555688      0.334517
     20.45487      7.71332      7.00638         0.052951      0.257901      0.448213
     -0.10876      5.71952      8.77362        -0.243327      0.206533      0.136255
      0.19853      7.03167      9.10368        -0.259254      0.580278     -0.328260
     21.13004      8.02290      8.18578        -0.174664      0.378037      0.024780
      0.05644      9.50575      8.28110        -0.703326     -1.017545     -1.053766
     20.07856      9.00290      6.34438         0.046524     -0.147761      0.322831
     20.36929     11.48723      6.95496        -0.032881     -0.120457     -0.352874
     19.52282     11.88410      5.91574        -0.125132      0.702398     -0.250467
     19.21194     13.23532      5.70211         0.090749     -0.276194      0.127877
     20.89255     12.56983      7.72348        -0.083749     -0.219062     -0.426072
     20.63525     13.93855      7.42854        -0.126366     -0.639390     -0.342722
     19.71134     14.36025      6.40916        -0.354379     -0.074443     -0.623198
     19.16693     15.79196      6.11018         0.376232      0.177426      0.292352
     18.28246     16.21024      5.05392         0.237506      0.302025      0.267443
     17.77809     17.53029      4.96127         0.259058     -0.072551     -0.033323
     19.45665     16.89634      6.96026        -0.328777      0.491189     -0.298559
     18.91056     18.18737      6.91667         0.058713     -0.474323     -0.179736
     17.99042     18.54173      5.92372         0.237993      0.012701      0.063399
     17.75460     15.26673      4.00432        -0.055502      0.408755     -0.335310
      0.14346     14.92588      8.23561         0.794316      0.031031      0.388608
     12.40769      5.27816      4.06538         0.289241      0.029996     -0.118624
     12.92967      3.72889     20.59271         0.117463      0.097892      0.073651
     12.98382      6.10391     21.09345        -0.067721      0.277840     -0.108187
     12.50952      7.47985      4.39633         0.266351     -0.098930     -0.082856
     13.24234      7.94312      0.13627        -0.091809     -0.140044     -0.090747
     13.54684     10.32851      0.41789        -0.084597      0.027673     -0.083992
     13.06476     13.57217      8.47318         0.054112     -0.007151      0.251214
     12.90961     11.80964      7.11752         0.354561     -0.409273     -0.197866
     14.07280     14.25211      3.78342         0.422592      0.059363     -0.326220
     12.99062     17.13616     11.38945        -0.102335      0.068672      0.131722
     14.59945     17.80188      6.86187         0.297313     -0.405045      0.265167
     14.70070     19.55141      8.26680         0.153343      0.053407      0.230583
     10.19355      6.85704      3.31939        -0.211699      0.071479      0.020724
      9.42843      3.45936      6.87258         0.272010      0.069964      0.140580
      9.56281      5.82147      7.50289         0.166291      0.229352      0.177873
     10.49837      8.72290      3.84874        -0.404672      0.080691      0.163711
      9.66788      7.74021      8.00435         0.059844     -0.213102      0.048106
      9.90408     10.09660      8.62197         0.017713     -0.056183      0.184489
     12.29913     15.76289      2.53219        -0.234928      0.276493      0.021549
     11.68052     13.67185      2.97621        -0.424811     -0.139115      0.051508
     10.70808     14.87679      6.96097        -0.435297      0.077941      0.063695
     12.78962     20.21970      1.08564         0.543667      0.001625     -0.096941
     11.68055     19.24130      5.66254        -0.160233     -0.240767     -0.038990
     11.85323      0.14813      5.12157         0.269954      0.149168     -0.185926
      9.82242      9.27558     17.25825         0.379337     -0.091310     -0.090162
     10.14110      7.75900     12.51302         0.175498      0.164703      0.242468
     10.25353     10.12544     13.01530        -0.018482      0.186181      0.154504
      9.91118     11.40018     17.66028         0.303733     -0.081305     -0.033718
     10.54775     12.05302     13.40965        -0.045359     -0.193947     -0.108698
     10.79741     14.44004     13.78995        -0.096378     -0.065089     -0.067944
      9.67079     17.67753      0.46902        -0.291164      0.260356     -0.015809
      9.97066     15.85660     20.53545         0.040637     -0.186482     -0.361922
     10.89607     18.32150     17.11845         0.595816      0.090960     -0.018057
      9.53663      0.03994      3.43150        -0.613424     -0.110479      0.134674
     11.06103      0.78909     20.23715         0.044766     -0.279218      0.013007
     10.49377      2.61570      0.13902        -0.111825     -0.054354      0.368278
      7.68202     10.62701     16.05763        -0.508711      0.042325      0.058518
      6.94677      7.24713     19.65342         0.283160      0.089522     -0.050363
      6.99210      9.60690     20.23051         0.194705      0.235120      0.195609
      7.80721     12.70304     16.61956        -0.395251     -0.012330      0.035861
      6.84091     11.47761     20.67235         0.184892     -0.221756      0.040916
      6.86484     13.78372      0.13702         0.382905     -0.140175     -0.052588
      9.48555     19.86263     16.01614        -0.409133      0.464715     -0.308220
      8.82091     17.74206     16.20060        -0.299793     -0.098244     -0.004895
      7.18742     18.80402     20.01335        -0.498409     -0.006869     -0.006328
      9.54579      2.98591     14.30405         0.507715     -0.324863      0.029692
      8.50445      2.05576     18.94854        -0.430410     -0.219513     -0.235739
      8.88769      4.21687     18.36877         0.258099      0.138239     -0.145855
      6.80682     13.01899      8.76347         0.046562      0.024486     -0.120292
      7.54457     11.33773      4.08322        -0.057925      0.183361      0.074373
      7.78323     13.71578      4.57408        -0.024773      0.285901     -0.030292
      6.81696     15.16524      9.05453         0.135378     -0.033573     -0.006530
      8.04306     15.57553      4.89995        -0.105421     -0.252853     -0.101770
      8.13635     17.96630      5.12567        -0.294897     -0.101023     -0.087050
      6.20637      0.25715     12.77183         0.489790      0.288367      0.303518
      6.70944     19.61769     11.66049         0.161479     -0.000821     -0.161839
      8.13779      0.80039      8.40957         0.219242     -0.049750      0.317030
      6.55418      3.81776     16.01459        -0.450016      0.056149      0.278863
      8.19762      4.50627     11.57150         0.495304      0.083106     -0.243760
      7.91561      6.31161     12.78444        -0.112387     -0.061167      0.591124
      3.57902     14.43709      9.07954         0.024464     -0.057169      0.029884
      4.56928     11.28438     12.84992         0.029733      0.036631      0.036151
      4.66897     13.69260     13.22536         0.080604      0.244450      0.116755
      3.94788     16.37194      9.32137        -0.110844      0.015330      0.059746
      4.66692     15.65695     13.57306         0.237803     -0.349493     -0.155726
      5.06060     18.04027     13.88827         0.201738     -0.111430      0.226120
      5.42255      2.29105      7.41954         0.104997      0.218284      0.294130
      4.93194      0.20477      8.03015        -0.228507     -0.191773      0.123557
      4.39348      1.56512     12.06432        -0.533648      0.145174      0.113536
      6.81657      6.65135      5.96134         0.302638     -0.119550     -0.018449
      5.46287      5.95739     10.50749        -0.106417     -0.350033      0.286923
      5.91435      8.02180      9.92984         0.294121      0.219949     -0.052469
      2.11154     16.46654      3.25258        -0.030467      0.046201      0.021146
      0.42937     14.91446     20.04461        -0.096205     -0.060985      0.051703
      0.51130     17.25316     20.54435        -0.237511      0.398171     -0.083066
      1.83479     18.74827      3.60949        -0.106928     -0.029631     -0.089721
      0.26674     19.00652     20.79378        -0.020737     -0.367755     -0.112955
      0.03005      0.15034     20.99797         0.009388     -0.306350      0.075141
      2.50150      3.80148      6.98120         0.206384      0.234373      0.343362
      2.32848      2.02373      5.84473        -0.077553     -0.017835     -0.283455
      0.66449      4.32000      2.60460        -0.273420      0.043469     -0.009524
      3.69659      7.54826      9.51888        -0.224115      0.027445      0.152401
      1.79236      8.33637      5.15364        -0.398762     -0.013286     -0.728609
      2.49433     10.13406      6.30048        -0.040175     -0.154410      0.355198
      3.32908     17.05402     20.98526         0.302435     -0.035132     -0.244235
      6.00081     13.80041      2.39094        -0.258767      0.122266      0.060075
      6.05929     16.13831      2.97941        -0.108407      0.210821      0.062814
      3.40717     19.27330      0.40404         0.192234      0.033070     -0.079786
      6.16395     17.99589      3.52169        -0.058570     -0.319130     -0.031083
      6.40223     20.28077      4.29081        -0.099690     -0.199418     -0.009919
      1.88771      5.39341      0.54486         0.241108      0.232877     -0.023338
      2.44150      3.33020      0.48254         0.210045     -0.161182      0.140370
      4.85800      3.93168      3.95799         0.294982     -0.013587     -0.106870
      1.42479     10.27337     21.19786        -0.491106      0.126660      0.207361
      4.29722      8.80159      3.56011         0.629736     -0.085050     -0.235622
      3.70846     10.94023      3.55129         0.143260      0.304193     -0.327652
     20.43823     19.53203     14.82527        -0.337735      0.035160      0.243807
     16.61224     17.81392     12.08738         0.044457      0.038070      0.041390
     16.91293     20.21309     12.37994        -0.016091      0.168670     -0.086221
     20.66698      0.32216     15.04554        -0.207700     -0.020486      0.137079
     16.96415      0.85561     12.83907        -0.029046     -0.083523     -0.091230
     16.97413      3.25352     13.33499         0.039392     -0.047196     -0.149152
      2.46046      6.69268     17.26792        -0.063530      0.067131      0.784524
      1.36312      4.68712     17.08710        -0.183976      0.012512      0.025167
     19.26071      7.08793     15.99337        -0.479400      0.083887      0.411008
      4.52495     10.03709     20.22801         0.297841     -0.057740     -0.257122
      0.16481     10.73824     18.29363        -0.300127     -0.186115     -0.130301
      1.29953     12.56168     18.85516         0.601964     -0.544071      0.584314
      0.71428     21.16030     13.30767         0.109776      0.245752     -0.184935
      3.68506     17.79103     15.47817        -0.198355      0.073363      0.063092
      4.17633     20.15966     15.73596        -0.269962      0.151713      0.279234
      0.94646      1.81736     13.68190         0.218875     -0.005109     -0.192184
      4.23753      0.84565     16.32830        -0.518111     -0.078598      0.403595
      4.64547      3.23219     16.72169        -0.208842      0.003363      0.524403
     20.04450      8.87376     13.81309         0.257044      0.005355      0.086854
     20.83486      6.78179     13.81062         0.684437     -0.052514     -0.186578
      3.05191      8.15712     15.92174         0.615667      0.195915     -0.466279
     18.26418     13.11716     13.41578        -0.488539     -0.045500      0.194702
      1.36670     12.57735     15.28555        -0.274183     -0.238756     -0.225218
      0.56016     14.61563     15.32009        -0.540206      0.020565     -0.014003
     17.78218      2.62536      7.17797        -0.220424     -0.049547      0.212725
     14.58085      0.87963      3.75996         0.251999      0.203345     -0.023408
     14.63713      3.28586      4.27418         0.116156      0.258662     -0.062111
     17.89137      4.72232      7.46793        -0.157881     -0.054964      0.132118
     14.69140      5.20347      4.57009        -0.029463     -0.239128     -0.079857
     14.66083      7.60418      4.96518         0.105940     -0.133415     -0.054190
     20.34191     10.82677     10.59895        -0.043456      0.328125      0.256088
     19.33931      9.04618      9.78045        -0.245311     -0.096156     -0.081303
     16.69038     11.63660      7.57908        -0.115891     -0.027956      0.195207
      1.21210     14.42926     12.78719         0.373109     -0.239807     -0.205155
     18.36710     15.19840     10.34932         0.142576     -0.123926      0.358247
     19.47232     17.01911     11.11303         0.617418     -0.228816      0.252583
     19.34887      4.42122      5.25835         0.159186     -0.065561      0.089782
     21.19295      0.67203      8.03418         0.075166      0.131478     -0.073200
      0.14816      2.98373      8.82063        -0.054142      0.183313      0.285118
     19.71430      6.16949      5.71982        -0.170951      0.010765     -0.075331
      0.18812      4.98335      9.49764        -0.355871     -0.398764      0.259567
      0.68190      7.30114     10.03358         0.077892     -0.065956      0.333192
     18.48570     13.32118      4.91467         0.137609      0.156376      0.189387
     19.03229     11.18854      5.23403         0.230495     -0.093867      0.261260
      0.21430     12.33588      8.60319         0.400831      0.072888     -0.080993
     17.09520     17.70697      4.14869         0.034722      0.235084     -0.250354
     20.10928     16.83883      7.79965         0.210353     -0.235413     -0.158565
     19.27025     18.88670      7.66497        -0.198435      0.086262      0.012681
     13.99859     19.34122     10.72784        -0.105784     -0.343216     -0.143537
     18.79617     21.00389      3.74482        -0.155944     -0.506826     -0.645287
     12.61180      1.22146      2.68569         0.201810     -0.591162      0.024722
     13.56618     11.59517      4.44260         0.154762      1.130860     -0.037677
      9.71117      2.65220      2.83724        -0.203914     -0.459350     -0.340711
     10.62088     12.67001      5.33657        -0.213216      0.431580      0.635229
      9.75911      5.21888     15.88243         0.035936     -0.407116      0.466512
     10.59250     15.62702     17.82646         0.167409      0.873038     -0.327089
      6.98198      6.45408     15.52774         0.086234     -0.002117     -0.697586
      7.55390     16.59346     18.33967        -0.278061      0.563267     -0.066255
      6.58405      8.98369      7.42730         0.219023     -0.848479      0.149071
      7.47048     19.37724      9.04343         0.179075      0.808520      0.639665
      3.49997     10.19882      8.92489        -0.178371     -0.632582     -0.516195
      4.30672     20.47712     10.58985        -0.119740      1.143068     -0.169207
      2.13439     12.39294      1.62728        -0.215524      0.024250      0.538743
      1.28115      1.69628      3.37288         0.067296      0.435789      0.526400
      3.71065     12.74870     20.28930        -0.668598      0.270699     -0.748953
      4.16052      1.87432      2.17747        -0.137137      0.758956     -0.274156
     19.39981     15.45886     14.27254        -0.862267     -0.456457     -0.051788
     20.08330      4.45390     15.95256         0.142895      0.821103      0.277573
      0.68454     17.01927     12.58767         0.403878     -0.543947      0.340241
      2.07294      5.83297     14.62126         0.688259      0.565130      0.544805
     17.36519     19.85518      5.88550         0.337660     -0.628163      0.101665
     17.39460      8.92061      7.87749         0.102136      0.684372      0.642037
     19.31623      0.40828      4.28448         0.498020      0.704138      0.542343
     20.60736     10.06258      7.15704         0.421010      1.037573      0.366976
     12.22063      2.30027      4.78226         0.491396      0.110447     -1.232433
     13.18008      0.95688      0.41175         0.100950      0.847703      0.783964
     13.13351      9.93290      6.05878         0.024370     -0.068778     -0.916271
     13.73749     12.65219      2.31885         0.002640     -1.484762      0.831745
      9.94438      4.49463      1.35881        -0.323955     -0.144426      0.885888
      9.35816      1.44455      4.82467        -0.127881     -0.231918      0.518887
     10.71432     11.62721      3.20686        -0.506849     -0.177890      1.675006
     10.26815     12.92064      7.68251        -0.042525     -0.803583     -0.928156
      9.58334      6.34935     18.00443         0.613883     -0.006868     -1.683758
     10.32814      4.89357     13.59436        -0.337119      2.096506      2.475793
     10.20629     13.92804     19.41050         0.298372     -0.220355     -0.642504
     10.85431     16.69229     15.73776         0.133357     -0.922806      0.230345
      7.28586      8.32545     14.06875        -0.424971     -0.482690      1.441095
      6.67928      5.21178     17.50140         0.041113      0.901268      0.022404
      7.95089     15.69801     16.16076        -0.762195     -0.296968      1.562293
      7.10616     16.69566     20.66240         0.119555     -0.865177     -1.156391
      6.46248     10.12658      9.52223         0.294522      0.023929     -0.876098
      7.07489      8.60024      5.16093        -0.008268      0.483809      0.206750
      6.94706     17.71054     10.67028         0.511740      0.146796     -1.009707
      8.05380     20.37102      6.99347        -0.372791     -0.697485      0.100368
      3.06988     11.97149      7.40078         0.250743     -0.084091      0.674078
      3.99925      9.05937     10.93867        -0.148435      0.956514     -0.252444
      4.23884     19.32733      8.49462        -0.212029      0.068750     -0.033645
      4.48135     20.71299     12.92340         0.057825      2.522639      3.388331
      2.98703     13.36507      3.64988        -0.651725      0.298193     -1.213445
      0.56870     12.19540     21.12527         0.118663      0.773286      0.738403
      2.15804      0.13674      4.98276        -0.373852      0.078321     -0.921348
      0.36069      2.55560      1.40444        -0.141194     -0.672514      0.076078
      2.70731     14.54902     19.04279         1.040820     -0.391067      1.102454
      5.00758     11.64785      0.61787        -0.077211      0.743984     -0.011183
      2.95959      1.10256      0.26462         0.732139     -0.315137      0.668372
      5.72941      1.88565      3.92712         0.011166     -0.390006     -0.102513
     -0.21540     16.67207     15.47008        -1.097668      0.107817     -0.376183
     17.45364     15.04025     12.96154         0.698614      1.123076      0.866441
      0.30857      2.74014     16.65978        -1.255086      0.335403     -0.586743
     18.38164      5.55913     14.70861         0.269198     -0.711555      0.239552
     20.86472     18.88411     11.68368         0.562434      0.235942      0.274704
      2.15879     15.73584     13.94443        -0.243394      1.413574     -0.410072
      0.33257      4.74484     13.41663         2.028498     -0.226732      0.825202
      3.94926      6.00372     16.06618         1.619801      1.386041      0.779136
     18.34646     20.92351      7.79503        -0.662720      0.076640     -0.983336
     15.86826     19.47254      4.09676         0.306492      0.882963      0.606176
     18.43418      7.18169      9.15324        -0.611463      0.115114     -0.505100
     15.84939      9.96606      6.45072         0.411391     -0.667217     -0.074172
     18.31386      2.31695      3.39547         0.466251      0.089683      0.360863
     20.51588     20.12271      5.56312        -0.272081      1.124574      0.101103
     19.39779      9.13994      5.34528        -0.215895      0.030042     -0.294824
      0.65372     10.12312      9.13035         0.309600      0.185886      0.187852
     13.72709     17.59867      5.30251         0.236461     -0.243522      0.148371
     15.66850     16.72821      5.56677         0.679657     -0.209982      0.227061
     14.53854     16.41866      3.72141         0.305838     -0.449300      0.106304
     11.96895     15.24369     11.35351         0.126063      0.140386     -0.337974
     11.46068     14.57796      9.34404        -0.367014      0.000126      0.097129
     13.35141     13.95489     10.28126         0.167868     -0.250640      0.462260
     11.88998     18.18710      7.21789         0.586075     -0.093149      0.186239
      9.96900     18.39652      6.34585        -0.141177      0.192199     -0.026451
     10.35863     16.81473      7.84101        -0.075691      0.160874     -0.403974
     13.02183     18.32050      0.08087         0.052206     -0.096576      0.608590
     13.93114     16.85391      1.43987        -0.186175      0.751218     -0.048085
     11.83401     16.71064      0.96300         0.236449      0.577790     -0.170347
     10.21880      0.33128     18.63931         0.405941     -0.028758      0.010938
     12.32213     -0.13440     18.83020         0.532773     -0.300772      0.214636
     11.24154     20.62873     17.02216         0.535094     -0.662225      0.193370
      9.10528     19.25154      3.57778        -0.460315      0.094547     -0.222990
      8.10500     18.59305      1.73395        -0.789436      0.080278     -0.234393
     10.12769     18.01691      2.15387        -0.545422     -0.038089      0.219468
      8.07809      0.77378     20.40964         0.273187      0.202340      0.243201
      6.34980      1.15368     19.17629        -0.502871     -0.084567     -0.153328
      6.33886     20.80518     20.68947        -0.085458      0.026590     -0.385151
      9.21215      0.95634     13.32235         1.304748      0.389749      0.030359
     10.59710     21.04218     14.65964        -0.265620      1.088598     -0.505321
      8.57100     20.40962     14.26456         0.454382      1.176470      0.416660
      7.73953      4.07229      9.87719         0.187905      0.142622     -0.161671
      9.69063      3.33920     10.41234         0.694467     -0.164106      0.297920
      8.80939      2.85160      8.47995         0.385026     -0.299330      0.325719
      6.09510      1.81640     16.06998         0.156115     -0.333384      0.463404
      5.03179      1.59190     14.12992        -0.589970     -0.435517     -0.063810
      6.78609      0.52252     14.54122         0.893073     -1.560737      0.549704
      5.64605      4.94233     11.92296         0.027400      0.328118      0.223417
      3.51781      4.94293     11.83811        -0.574021     -0.099796     -0.557918
      4.46759      3.46628     12.96913         0.221299     -0.127772     -0.325895
      7.02926      4.42884      5.10191        -0.181979      0.163776      0.535426
      7.16791      2.94742      6.64380         0.112402     -0.037426      0.192121
      5.20609      3.52968      5.95721        -0.142351     -0.016982     -0.212803
     -0.17176      7.30262      4.51352        -0.537634     -0.045014      0.258150
      1.63761      7.60549      3.47007        -0.477357     -0.461918     -0.051761
      0.04030      6.41081      2.58742        -0.255783     -0.477896      0.481138
      3.42786      5.48218      9.69106        -0.094321      0.111768      0.814709
      1.96871      4.42338      8.61421        -0.601102     -0.180146      0.386085
      3.89782      4.62777      7.71985        -0.481936      0.413062      0.124505
      5.83833      7.15531      3.48332         0.297015     -0.226776     -0.111103
      4.00401      7.40417      4.65764        -0.035281      0.057892     -0.367819
      5.13205      5.71296      5.01908         0.252070     -0.087809     -0.016164
      0.98254      8.18624     20.22757        -0.565979      0.358120      0.590734
      2.63843      6.91033     -0.40144        -0.537273      0.385579     -0.692373
      0.64042      6.81700      0.49200        -0.299150     -0.086575      0.284584
     19.62965      9.51338     18.68175        -0.194051      0.005299      0.911960
     20.28000     10.41291     16.83787        -0.076945      0.467214     -0.211995
     18.63643      9.04315     16.82394        -0.925010     -0.271672     -0.178931
      4.79758      7.86178     19.95845        -0.032125     -0.058658     -0.343768
      3.38095      6.58756     18.86711         1.264121      1.083453      0.386342
      4.57480      7.90713     17.70549         0.350986      0.614273      0.129182
      3.22029     11.50884     14.90396         0.415831     -0.059913     -0.555145
      1.98464     11.58572     16.64093         0.116185      0.383696      0.530803
      3.65447     10.22309     16.61823        -0.090077     -0.023807     -0.832864
     17.46552     11.19826     13.03822         0.366860     -0.019448      0.282477
     19.04106      9.80369     12.52650        -0.026645      0.238140     -0.314167
     18.14644      9.69303     14.47766        -0.089445      0.389628      0.144554
     16.52511     14.32281      9.83499        -0.485282     -0.027751      0.319470
     18.06550     14.86357      8.40317        -0.180096     -0.061587      0.071116
     16.34697     13.75288      7.72321         0.004520     -0.173813      0.223353
      1.49827     12.36367     12.74052         0.081497      0.078535     -0.357161
     21.04687     11.16051     12.18201         0.673087     -0.091102      0.007496
      1.14848     11.86495     10.66178         0.214436      0.341118     -0.169490
      0.86900     15.79042      7.46967         0.458030     -0.064461     -0.488558
     20.63781     15.72767      9.01411         0.062443      0.074849      0.190944
      1.02634     14.37351      9.13347         0.140167     -0.235742     -0.533361
     17.02750     15.86572      3.00863         0.431828     -0.056753      0.175717
     18.77494     14.60528      3.38831         0.179554     -0.022287     -0.635628
     16.91688     14.31041      4.52887        -0.312066      0.108366     -0.107851
 -----------------------------------------------------------------------------------
    total drift:                                0.009472      0.002288     -0.002235


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4544.5493815231 eV

  energy  without entropy=    -4544.7041202765  energy(sigma->0) =    -4544.60096111
 
 d Force = 0.4862253E+01[ 0.489E+00, 0.924E+01]  d Energy = 0.4895992E+01-0.337E-01
 d Force = 0.2982778E+04[ 0.294E+04, 0.303E+04]  d Ewald  = 0.2982902E+04-0.124E+00


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -4.895992  1 .order   -4.862253   -9.235579   -0.488927
  (g-gl).g = 0.254E+02      g.g   = 0.254E+02  gl.gl    = 0.287E+02
 g(Force)  = 0.254E+02   g(Stress)= 0.000E+00 ortho     =-0.153E-01
 gamma     =   0.88465
 trial     =   0.36400
 opt step  =   0.38386  (harmonic =   0.38434) maximal distance =0.10620171
 next E    = -4544.562727   (d E  =  -4.90934)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   25(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3184
 total energy-change (2. order) : 0.7338015E-02  (-0.9239358E+00)
 number of electron    2497.9999972 magnetization 
 augmentation part      162.6925523 magnetization 

  free energy =  -0.454454203649E+04  energy without entropy=  -0.454469667087E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   25(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3528
 total energy-change (2. order) :-0.2069172E-01  (-0.2486972E-01)
 number of electron    2497.9999972 magnetization 
 augmentation part      162.6954069 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8351
  0.8351

  free energy =  -0.454456272821E+04  energy without entropy=  -0.454471762018E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   25(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3656
 total energy-change (2. order) : 0.6140348E-03  (-0.4798095E-03)
 number of electron    2497.9999972 magnetization 
 augmentation part      162.6898036 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3556
  1.1662  1.5449

  free energy =  -0.454456211417E+04  energy without entropy=  -0.454471692837E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   25(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3528
 total energy-change (2. order) :-0.2472490E-03  (-0.3822414E-03)
 number of electron    2497.9999972 magnetization 
 augmentation part      162.6893215 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2662
  2.1331  0.9119  0.7534

  free energy =  -0.454456236142E+04  energy without entropy=  -0.454471720818E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   25(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3608
 total energy-change (2. order) :-0.1194787E-03  (-0.8468749E-04)
 number of electron    2497.9999972 magnetization 
 augmentation part      162.6896970 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3194
  2.3577  0.8993  1.0103  1.0103

  free energy =  -0.454456248090E+04  energy without entropy=  -0.454471726683E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   25(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) : 0.3313585E-04  (-0.4968855E-04)
 number of electron    2497.9999972 magnetization 
 augmentation part      162.6893155 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2759
  2.3894  1.0655  1.0655  0.9295  0.9295

  free energy =  -0.454456244777E+04  energy without entropy=  -0.454471728359E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   25(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3232
 total energy-change (2. order) :-0.5429436E-05  (-0.9790121E-05)
 number of electron    2497.9999972 magnetization 
 augmentation part      162.6893155 magnetization 

  free energy =  -0.454456245320E+04  energy without entropy=  -0.454471722197E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.9762       2 -56.1702       3 -56.0505       4 -55.7667       5 -55.7791
       6 -56.2856       7 -58.0325       8 -58.3156       9 -56.2759      10 -55.9969
      11 -56.0424      12 -55.7746      13 -55.7274      14 -55.9342      15 -57.9944
      16 -58.0600      17 -56.3303      18 -54.9149      19 -54.7148      20 -55.1826
      21 -55.6315      22 -55.5975      23 -55.6624      24 -55.6246      25 -55.0415
      26 -54.7128      27 -54.9011      28 -55.0083      29 -60.4293      30 -60.3863
      31 -55.5862      32 -55.8291      33 -55.7137      34 -55.1884      35 -55.4665
      36 -55.9483      37 -57.8050      38 -58.0860      39 -56.0534      40 -55.7789
      41 -55.9460      42 -55.6890      43 -55.7177      44 -55.8751      45 -58.0990
      46 -58.1524      47 -56.5050      48 -55.1024      49 -54.8755      50 -55.3144
      51 -55.8752      52 -55.7926      53 -55.7538      54 -55.8431      55 -55.1992
      56 -54.7889      57 -54.9966      58 -56.4121      59 -60.4454      60 -60.6187
      61 -55.9660      62 -56.0719      63 -55.9463      64 -55.7465      65 -55.7662
      66 -56.2300      67 -57.9252      68 -58.2646      69 -56.2428      70 -55.9518
      71 -56.0848      72 -55.7310      73 -55.6590      74 -55.9230      75 -58.0357
      76 -58.2164      77 -56.5254      78 -55.0748      79 -54.8759      80 -55.4009
      81 -55.8402      82 -55.8578      83 -55.8333      84 -55.8637      85 -55.0952
      86 -54.9567      87 -55.0970      88 -56.4523      89 -60.6956      90 -60.4765
      91 -55.7093      92 -55.8479      93 -55.7186      94 -55.4338      95 -55.5205
      96 -56.0078      97 -57.8684      98 -58.0616      99 -56.0875     100 -55.8829
     101 -56.0043     102 -55.5574     103 -55.6007     104 -55.8868     105 -58.0940
     106 -58.2492     107 -56.5025     108 -55.0566     109 -54.8807     110 -55.3414
     111 -55.8056     112 -55.7441     113 -55.7876     114 -55.9257     115 -55.2868
     116 -54.9195     117 -55.0820     118 -56.4621     119 -60.5085     120 -60.4920
     121 -55.8495     122 -55.9463     123 -55.8144     124 -55.6966     125 -55.7013
     126 -56.0947     127 -57.9854     128 -58.1780     129 -56.0039     130 -55.7089
     131 -55.8343     132 -55.5481     133 -55.4851     134 -55.7342     135 -57.8615
     136 -58.0315     137 -56.3998     138 -55.0108     139 -54.8511     140 -55.2722
     141 -55.7585     142 -55.8737     143 -55.7609     144 -55.6879     145 -55.0752
     146 -54.8971     147 -55.0832     148 -56.4062     149 -60.5743     150 -60.5192
     151 -55.5328     152 -55.6416     153 -55.4900     154 -55.3034     155 -55.3556
     156 -55.7945     157 -57.7695     158 -57.8880     159 -55.8394     160 -55.6063
     161 -55.7866     162 -55.4204     163 -55.4477     164 -55.6369     165 -58.1476
     166 -58.1111     167 -56.4819     168 -55.1331     169 -54.8938     170 -55.3654
     171 -55.9313     172 -55.9053     173 -55.8533     174 -55.7294     175 -55.1657
     176 -54.6723     177 -54.9290     178 -56.2895     179 -60.4709     180 -60.5497
     181 -55.9311     182 -56.1685     183 -55.9786     184 -55.7013     185 -55.6849
     186 -56.2526     187 -57.9383     188 -58.2883     189 -56.2095     190 -55.8479
     191 -55.9864     192 -55.7410     193 -55.6537     194 -55.8711     195 -57.9715
     196 -58.2273     197 -56.4202     198 -54.9328     199 -54.8072     200 -55.2697
     201 -55.8261     202 -55.8597     203 -55.7866     204 -55.7696     205 -55.1827
     206 -54.9940     207 -55.0805     208 -56.4024     209 -60.7158     210 -60.4518
     211 -56.0260     212 -56.2032     213 -55.9768     214 -55.7976     215 -55.7605
     216 -56.2780     217 -58.1081     218 -58.4056     219 -56.1681     220 -55.8282
     221 -55.9414     222 -55.6229     223 -55.5072     224 -55.7927     225 -57.8912
     226 -58.1658     227 -56.3553     228 -54.8709     229 -54.8613     230 -55.0803
     231 -55.6256     232 -55.8482     233 -55.9250     234 -55.5462     235 -55.2149
     236 -54.9127     237 -55.1280     238 -56.4683     239 -60.2855     240 -60.3364
     241 -55.9419     242 -55.9996     243 -55.8656     244 -55.7258     245 -55.7482
     246 -56.1661     247 -58.0400     248 -58.1402     249 -56.1996     250 -55.9199
     251 -56.0507     252 -55.7453     253 -55.7495     254 -55.9468     255 -58.0717
     256 -58.1296     257 -56.5107     258 -55.1461     259 -54.9118     260 -55.2923
     261 -55.8057     262 -55.8898     263 -55.9497     264 -55.9224     265 -55.4760
     266 -55.0034     267 -55.2562     268 -56.5394     269 -60.5781     270 -60.4054
     271 -55.9098     272 -56.0025     273 -55.7875     274 -55.7561     275 -55.7204
     276 -56.0669     277 -58.0865     278 -58.1818     279 -55.7773     280 -55.6028
     281 -55.7043     282 -55.3871     283 -55.2729     284 -55.6063     285 -58.0832
     286 -57.9751     287 -56.6126     288 -55.1319     289 -54.9597     290 -55.5047
     291 -55.8715     292 -55.8366     293 -55.8280     294 -55.8498     295 -55.1769
     296 -54.8367     297 -54.9646     298 -56.4236     299 -60.4579     300 -60.6323
     301 -55.8608     302 -55.9978     303 -55.8437     304 -55.5805     305 -55.6149
     306 -56.0896     307 -58.0322     308 -58.2385     309 -56.1266     310 -55.8085
     311 -55.9686     312 -55.6597     313 -55.6309     314 -55.8620     315 -57.9415
     316 -58.1320     317 -56.4062     318 -54.9834     319 -54.8100     320 -55.2321
     321 -55.7575     322 -55.8205     323 -55.8165     324 -55.8002     325 -55.1066
     326 -55.0242     327 -55.1724     328 -56.5012     329 -60.5040     330 -60.3529
     331 -55.7925     332 -55.8412     333 -55.6634     334 -55.6026     335 -55.5700
     336 -55.9819     337 -57.9004     338 -57.9337     339 -55.7909     340 -55.5153
     341 -55.6394     342 -55.3807     343 -55.3792     344 -55.5866     345 -57.9010
     346 -57.9186     347 -56.3779     348 -54.9000     349 -54.7917     350 -55.3046
     351 -55.7256     352 -55.7539     353 -55.6893     354 -55.5942     355 -55.0883
     356 -54.6539     357 -54.8671     358 -56.2967     359 -60.3752     360 -60.4608
     361 -39.0620     362 -38.7693     363 -38.9734     364 -39.1047     365 -38.9386
     366 -38.7332     367 -38.2388     368 -38.1601     369 -38.2442     370 -38.1737
     371 -38.2135     372 -38.2017     373 -38.8740     374 -38.3509     375 -38.6811
     376 -38.8751     377 -38.8505     378 -38.8187     379 -38.1715     380 -38.0942
     381 -38.2053     382 -38.0716     383 -38.2893     384 -38.0603     385 -38.8824
     386 -38.6687     387 -38.8471     388 -38.9684     389 -38.8425     390 -38.5823
     391 -38.3280     392 -38.1982     393 -38.3312     394 -38.1288     395 -38.2171
     396 -38.2618     397 -38.8055     398 -38.3992     399 -38.7372     400 -38.8855
     401 -38.6486     402 -38.7785     403 -38.1611     404 -38.0915     405 -38.2471
     406 -38.0638     407 -38.1139     408 -38.0315     409 -38.7738     410 -38.7272
     411 -38.9367     412 -38.7364     413 -38.8143     414 -38.5406     415 -38.2782
     416 -38.2282     417 -38.0450     418 -38.2942     419 -38.2910     420 -38.0992
     421 -38.5761     422 -38.3108     423 -38.5230     424 -38.6706     425 -38.5457
     426 -38.7610     427 -38.1370     428 -38.1502     429 -38.3870     430 -38.0946
     431 -38.3363     432 -38.0265     433 -38.8652     434 -38.7301     435 -39.0458
     436 -38.7693     437 -38.9960     438 -38.5945     439 -38.5628     440 -38.0789
     441 -38.2119     442 -38.2490     443 -38.4409     444 -38.0358     445 -38.8655
     446 -38.8336     447 -38.8756     448 -38.7746     449 -38.7369     450 -38.4047
     451 -38.0060     452 -37.8398     453 -38.0871     454 -38.1668     455 -38.2321
     456 -38.0476     457 -38.9486     458 -38.6922     459 -38.9079     460 -39.0070
     461 -38.8914     462 -38.7397     463 -38.2245     464 -38.2537     465 -38.2139
     466 -38.4570     467 -38.4047     468 -37.9930     469 -39.0467     470 -38.8332
     471 -38.7786     472 -38.7877     473 -38.5203     474 -38.3876     475 -38.2355
     476 -38.0254     477 -38.4932     478 -38.1041     479 -38.2109     480 -37.9533
     481 -38.8717     482 -38.6923     483 -38.8377     484 -38.8878     485 -38.8617
     486 -38.7294     487 -38.2276     488 -38.2052     489 -38.0629     490 -38.2317
     491 -38.1000     492 -38.1977     493 -38.8377     494 -38.5526     495 -38.7423
     496 -38.7871     497 -38.6209     498 -38.5336     499 -38.1055     500 -37.8932
     501 -38.2399     502 -38.0496     503 -38.1277     504 -37.8937     505 -38.2388
     506 -41.2340     507 -71.7173     508 -71.5565     509 -71.4722     510 -71.6956
     511 -71.6557     512 -71.6052     513 -71.4882     514 -71.7288     515 -71.5660
     516 -71.4072     517 -71.3141     518 -71.3429     519 -71.5953     520 -71.6137
     521 -71.6979     522 -71.4443     523 -71.6411     524 -71.5581     525 -71.6523
     526 -71.4528     527 -71.6009     528 -71.4783     529 -71.0773     530 -71.3874
     531 -76.8563     532 -76.5983     533 -76.6198     534 -76.5819     535 -76.6740
     536 -76.5444     537 -76.6485     538 -76.7546     539 -76.8387     540 -76.2745
     541 -76.7646     542 -76.6744     543 -76.6560     544 -76.5169     545 -76.7798
     546 -76.6940     547 -76.8111     548 -76.6913     549 -76.6993     550 -76.5028
     551 -76.5466     552 -76.4146     553 -76.7852     554 -77.2870     555 -76.8202
     556 -76.6297     557 -76.8914     558 -76.6413     559 -76.9746     560 -76.7184
     561 -76.7815     562 -76.5586     563 -76.6678     564 -76.6153     565 -76.7030
     566 -76.7305     567 -76.7519     568 -76.7229     569 -76.4102     570 -77.0622
     571 -76.8599     572 -76.6623     573 -76.7728     574 -76.5918     575 -76.5708
     576 -76.5076     577 -76.5689     578 -76.6855     579 -82.3244     580 -82.5554
     581 -82.3531     582 -82.2686     583 -82.4250     584 -82.3745     585 -82.5862
     586 -82.5820     587 -82.3643     588 -82.2536     589 -82.0591     590 -82.2287
     591 -82.4485     592 -82.3338     593 -82.4194     594 -82.5536     595 -82.7945
     596 -82.6459     597 -82.5849     598 -82.4000     599 -82.2707     600 -82.7134
     601 -82.1398     602 -81.5761     603 -82.6783     604 -82.4886     605 -82.5417
     606 -82.6166     607 -82.5241     608 -83.0522     609 -82.7852     610 -82.1992
     611 -82.2708     612 -82.2304     613 -82.2592     614 -82.3847     615 -82.5518
     616 -82.3940     617 -82.3890     618 -82.9923     619 -82.9357     620 -82.5682
     621 -82.3443     622 -82.3002     623 -82.4836     624 -82.3027     625 -82.3650
     626 -82.2796     627 -82.2098     628 -82.5476     629 -82.4185     630 -82.7112
     631 -81.8462     632 -82.5677     633 -82.4556     634 -82.8265     635 -82.4317
     636 -82.2121     637 -82.3761     638 -82.1851     639 -82.3286     640 -82.2415
     641 -82.2458     642 -82.4078     643 -82.5818     644 -82.4245     645 -82.3601
     646 -82.5598     647 -82.3459     648 -82.2276     649 -82.3640     650 -82.3409
 
 
 
 E-fermi :  -1.3750     XC(G=0):  -6.4024     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.6309      2.00000
      2     -29.5889      2.00000
      3     -29.1342      2.00000
      4     -29.1301      2.00000
      5     -29.0982      2.00000
      6     -29.0765      2.00000
      7     -29.0672      2.00000
      8     -29.0093      2.00000
      9     -29.0087      2.00000
     10     -29.0030      2.00000
     11     -28.9833      2.00000
     12     -28.9820      2.00000
     13     -28.9694      2.00000
     14     -28.9128      2.00000
     15     -28.8831      2.00000
     16     -28.8295      2.00000
     17     -28.6881      2.00000
     18     -28.6867      2.00000
     19     -28.6855      2.00000
     20     -28.6468      2.00000
     21     -28.6217      2.00000
     22     -28.6055      2.00000
     23     -28.4859      2.00000
     24     -28.4211      2.00000
     25     -27.2529      2.00000
     26     -27.0864      2.00000
     27     -26.9185      2.00000
     28     -26.8882      2.00000
     29     -26.8672      2.00000
     30     -26.8482      2.00000
     31     -26.7858      2.00000
     32     -26.7662      2.00000
     33     -26.7521      2.00000
     34     -26.7199      2.00000
     35     -26.7161      2.00000
     36     -26.6977      2.00000
     37     -26.6749      2.00000
     38     -26.6610      2.00000
     39     -26.6543      2.00000
     40     -26.6278      2.00000
     41     -26.6189      2.00000
     42     -26.6187      2.00000
     43     -26.5630      2.00000
     44     -26.5500      2.00000
     45     -26.5333      2.00000
     46     -26.5142      2.00000
     47     -26.5112      2.00000
     48     -26.5083      2.00000
     49     -26.4766      2.00000
     50     -26.4684      2.00000
     51     -26.4597      2.00000
     52     -26.4477      2.00000
     53     -26.4303      2.00000
     54     -26.4066      2.00000
     55     -26.4049      2.00000
     56     -26.4002      2.00000
     57     -26.3881      2.00000
     58     -26.3847      2.00000
     59     -26.3595      2.00000
     60     -26.3332      2.00000
     61     -26.2940      2.00000
     62     -26.2847      2.00000
     63     -26.2810      2.00000
     64     -26.2604      2.00000
     65     -26.2457      2.00000
     66     -26.2303      2.00000
     67     -26.1984      2.00000
     68     -26.1802      2.00000
     69     -26.1359      2.00000
     70     -26.0234      2.00000
     71     -25.8719      2.00000
     72     -25.4271      2.00000
     73     -24.0217      2.00000
     74     -23.5168      2.00000
     75     -23.1317      2.00000
     76     -23.0978      2.00000
     77     -23.0963      2.00000
     78     -23.0940      2.00000
     79     -23.0890      2.00000
     80     -23.0690      2.00000
     81     -23.0659      2.00000
     82     -23.0123      2.00000
     83     -22.9959      2.00000
     84     -22.9737      2.00000
     85     -22.9342      2.00000
     86     -22.9260      2.00000
     87     -22.9221      2.00000
     88     -22.9088      2.00000
     89     -22.9056      2.00000
     90     -22.8905      2.00000
     91     -22.8886      2.00000
     92     -22.8879      2.00000
     93     -22.8628      2.00000
     94     -22.8207      2.00000
     95     -22.8181      2.00000
     96     -22.7558      2.00000
     97     -22.7188      2.00000
     98     -22.6852      2.00000
     99     -22.6310      2.00000
    100     -22.6252      2.00000
    101     -22.6160      2.00000
    102     -22.5617      2.00000
    103     -22.5495      2.00000
    104     -22.5409      2.00000
    105     -22.5402      2.00000
    106     -22.5320      2.00000
    107     -22.5268      2.00000
    108     -22.5046      2.00000
    109     -22.4947      2.00000
    110     -22.4877      2.00000
    111     -22.4235      2.00000
    112     -22.4164      2.00000
    113     -22.3967      2.00000
    114     -22.3764      2.00000
    115     -22.3465      2.00000
    116     -22.3372      2.00000
    117     -22.3367      2.00000
    118     -22.2762      2.00000
    119     -22.2038      2.00000
    120     -21.9284      2.00000
    121     -20.3742      2.00000
    122     -20.3731      2.00000
    123     -20.3520      2.00000
    124     -20.3503      2.00000
    125     -20.3472      2.00000
    126     -20.2898      2.00000
    127     -20.2885      2.00000
    128     -20.2684      2.00000
    129     -20.2416      2.00000
    130     -20.2160      2.00000
    131     -20.2072      2.00000
    132     -20.2007      2.00000
    133     -20.1890      2.00000
    134     -20.1529      2.00000
    135     -20.1475      2.00000
    136     -20.1392      2.00000
    137     -20.1294      2.00000
    138     -20.0724      2.00000
    139     -20.0332      2.00000
    140     -20.0224      2.00000
    141     -20.0221      2.00000
    142     -20.0145      2.00000
    143     -19.9913      2.00000
    144     -19.9780      2.00000
    145     -18.6515      2.00000
    146     -18.6134      2.00000
    147     -18.6017      2.00000
    148     -18.5789      2.00000
    149     -18.5437      2.00000
    150     -18.5277      2.00000
    151     -18.5008      2.00000
    152     -18.4432      2.00000
    153     -18.4375      2.00000
    154     -18.4287      2.00000
    155     -18.3799      2.00000
    156     -18.3133      2.00000
    157     -18.2901      2.00000
    158     -18.2682      2.00000
    159     -18.2623      2.00000
    160     -18.2330      2.00000
    161     -18.2230      2.00000
    162     -18.1808      2.00000
    163     -18.1636      2.00000
    164     -18.1466      2.00000
    165     -18.1324      2.00000
    166     -18.0991      2.00000
    167     -18.0906      2.00000
    168     -18.0273      2.00000
    169     -18.0154      2.00000
    170     -17.9935      2.00000
    171     -17.9750      2.00000
    172     -17.9399      2.00000
    173     -17.9035      2.00000
    174     -17.8785      2.00000
    175     -17.8345      2.00000
    176     -17.8248      2.00000
    177     -17.8079      2.00000
    178     -17.7763      2.00000
    179     -17.7311      2.00000
    180     -17.7237      2.00000
    181     -17.6131      2.00000
    182     -17.5924      2.00000
    183     -17.5612      2.00000
    184     -17.5564      2.00000
    185     -17.5503      2.00000
    186     -17.5398      2.00000
    187     -17.5303      2.00000
    188     -17.5114      2.00000
    189     -17.4735      2.00000
    190     -17.4505      2.00000
    191     -17.4312      2.00000
    192     -17.4231      2.00000
    193     -16.7639      2.00000
    194     -16.7630      2.00000
    195     -16.7142      2.00000
    196     -16.7023      2.00000
    197     -16.6445      2.00000
    198     -16.6286      2.00000
    199     -16.5821      2.00000
    200     -16.5736      2.00000
    201     -16.5398      2.00000
    202     -16.5255      2.00000
    203     -16.4377      2.00000
    204     -16.4318      2.00000
    205     -16.1903      2.00000
    206     -16.1688      2.00000
    207     -16.1578      2.00000
    208     -16.1358      2.00000
    209     -16.0917      2.00000
    210     -16.0833      2.00000
    211     -16.0551      2.00000
    212     -16.0127      2.00000
    213     -16.0074      2.00000
    214     -15.9483      2.00000
    215     -15.9325      2.00000
    216     -15.8008      2.00000
    217     -15.7903      2.00000
    218     -15.7733      2.00000
    219     -15.7313      2.00000
    220     -15.7104      2.00000
    221     -15.6761      2.00000
    222     -15.6621      2.00000
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   1357       3.1938     -0.00000
   1358       3.2236     -0.00000
   1359       3.2538     -0.00000
   1360       3.2874     -0.00000
   1361       3.3387     -0.00000
   1362       3.4206     -0.00000
   1363       3.4749     -0.00000
   1364       3.5407     -0.00000
   1365       3.6028     -0.00000
   1366       3.6300     -0.00000
   1367       3.6832     -0.00000
   1368       3.7020     -0.00000
   1369       3.7532     -0.00000
   1370       3.7659     -0.00000
   1371       3.7777     -0.00000
   1372       3.7865     -0.00000
   1373       3.8028     -0.00000
   1374       3.8247     -0.00000
   1375       3.8571     -0.00000
   1376       3.8594     -0.00000
   1377       3.8955     -0.00000
   1378       3.9291     -0.00000
   1379       3.9308     -0.00000
   1380       3.9478     -0.00000
   1381       3.9517      0.00000
   1382       3.9683      0.00000
   1383       3.9801      0.00000
   1384       4.0075      0.00000
   1385       4.0210      0.00000
   1386       4.0368      0.00000
   1387       4.0539      0.00000
   1388       4.0649      0.00000
   1389       4.0855      0.00000
   1390       4.0909      0.00000
   1391       4.1035      0.00000
   1392       4.1145      0.00000
   1393       4.1293      0.00000
   1394       4.1425      0.00000
   1395       4.1477      0.00000
   1396       4.1658      0.00000
   1397       4.1710      0.00000
   1398       4.1864      0.00000
   1399       4.1977      0.00000
   1400       4.2029      0.00000
   1401       4.2086      0.00000
   1402       4.2241      0.00000
   1403       4.2412      0.00000
   1404       4.2691      0.00000
   1405       4.2724      0.00000
   1406       4.2918      0.00000
   1407       4.2972      0.00000
   1408       4.3089      0.00000
   1409       4.3113      0.00000
   1410       4.3315      0.00000
   1411       4.3474      0.00000
   1412       4.3625      0.00000
   1413       4.3769      0.00000
   1414       4.3857      0.00000
   1415       4.4002      0.00000
   1416       4.4297      0.00000
   1417       4.4455      0.00000
   1418       4.4585      0.00000
   1419       4.4711      0.00000
   1420       4.4835      0.00000
   1421       4.4939      0.00000
   1422       4.5121      0.00000
   1423       4.5296      0.00000
   1424       4.5368      0.00000
   1425       4.5598      0.00000
   1426       4.5737      0.00000
   1427       4.5928      0.00000
   1428       4.5994      0.00000
   1429       4.6095      0.00000
   1430       4.6195      0.00000
   1431       4.6456      0.00000
   1432       4.6576      0.00000
   1433       4.6880      0.00000
   1434       4.7061      0.00000
   1435       4.7117      0.00000
   1436       4.7352      0.00000
   1437       4.7636      0.00000
   1438       4.7989      0.00000
   1439       4.8210      0.00000
   1440       4.8369      0.00000
   1441       4.8443      0.00000
   1442       4.8772      0.00000
   1443       4.9001      0.00000
   1444       4.9093      0.00000
   1445       4.9355      0.00000
   1446       4.9537      0.00000
   1447       4.9680      0.00000
   1448       4.9717      0.00000
   1449       4.9814      0.00000
   1450       5.0021      0.00000
   1451       5.0241      0.00000
   1452       5.0256      0.00000
   1453       5.0517      0.00000
   1454       5.0740      0.00000
   1455       5.0819      0.00000
   1456       5.0962      0.00000
   1457       5.1016      0.00000
   1458       5.1025      0.00000
   1459       5.1182      0.00000
   1460       5.1333      0.00000
   1461       5.1484      0.00000
   1462       5.1582      0.00000
   1463       5.1818      0.00000
   1464       5.1896      0.00000
   1465       5.2012      0.00000
   1466       5.2136      0.00000
   1467       5.2198      0.00000
   1468       5.2330      0.00000
   1469       5.2507      0.00000
   1470       5.2644      0.00000
   1471       5.2677      0.00000
   1472       5.2788      0.00000
   1473       5.2850      0.00000
   1474       5.2925      0.00000
   1475       5.3121      0.00000
   1476       5.3230      0.00000
   1477       5.3346      0.00000
   1478       5.3556      0.00000
   1479       5.3624      0.00000
   1480       5.3713      0.00000
   1481       5.3769      0.00000
   1482       5.3913      0.00000
   1483       5.4034      0.00000
   1484       5.4162      0.00000
   1485       5.4191      0.00000
   1486       5.4264      0.00000
   1487       5.4394      0.00000
   1488       5.4435      0.00000
   1489       5.4619      0.00000
   1490       5.4672      0.00000
   1491       5.4775      0.00000
   1492       5.4865      0.00000
   1493       5.4926      0.00000
   1494       5.5044      0.00000
   1495       5.5141      0.00000
   1496       5.5237      0.00000
   1497       5.5292      0.00000
   1498       5.5556      0.00000
   1499       5.5695      0.00000
   1500       5.5749      0.00000
   1501       5.5821      0.00000
   1502       5.5906      0.00000
   1503       5.6017      0.00000
   1504       5.6275      0.00000
   1505       5.6307      0.00000
   1506       5.6396      0.00000
   1507       5.6427      0.00000
   1508       5.6511      0.00000
   1509       5.6553      0.00000
   1510       5.6618      0.00000
   1511       5.6829      0.00000
   1512       5.6912      0.00000
   1513       5.7022      0.00000
   1514       5.7242      0.00000
   1515       5.7361      0.00000
   1516       5.7401      0.00000
   1517       5.7443      0.00000
   1518       5.7534      0.00000
   1519       5.7681      0.00000
   1520       5.7742      0.00000
   1521       5.7822      0.00000
   1522       5.7921      0.00000
   1523       5.8024      0.00000
   1524       5.8162      0.00000
   1525       5.8255      0.00000
   1526       5.8302      0.00000
   1527       5.8362      0.00000
   1528       5.8390      0.00000
   1529       5.8529      0.00000
   1530       5.8692      0.00000
   1531       5.8741      0.00000
   1532       5.8781      0.00000
   1533       5.8857      0.00000
   1534       5.9083      0.00000
   1535       5.9105      0.00000
   1536       5.9245      0.00000
   1537       5.9362      0.00000
   1538       5.9368      0.00000
   1539       5.9503      0.00000
   1540       5.9584      0.00000
   1541       5.9632      0.00000
   1542       5.9652      0.00000
   1543       5.9780      0.00000
   1544       5.9873      0.00000
   1545       6.0046      0.00000
   1546       6.0092      0.00000
   1547       6.0285      0.00000
   1548       6.0374      0.00000
   1549       6.0475      0.00000
   1550       6.0502      0.00000
   1551       6.0554      0.00000
   1552       6.0704      0.00000
   1553       6.0780      0.00000
   1554       6.0905      0.00000
   1555       6.0940      0.00000
   1556       6.1060      0.00000
   1557       6.1130      0.00000
   1558       6.1223      0.00000
   1559       6.1258      0.00000
   1560       6.1369      0.00000
   1561       6.1496      0.00000
   1562       6.1562      0.00000
   1563       6.1615      0.00000
   1564       6.1768      0.00000
   1565       6.1816      0.00000
   1566       6.1912      0.00000
   1567       6.2037      0.00000
   1568       6.2115      0.00000
   1569       6.2172      0.00000
   1570       6.2189      0.00000
   1571       6.2352      0.00000
   1572       6.2404      0.00000
   1573       6.2601      0.00000
   1574       6.2620      0.00000
   1575       6.2727      0.00000
   1576       6.2875      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.084  13.407  -0.001   0.001  -0.000   0.001  -0.004   0.001
 13.407  17.824  -0.001   0.002  -0.000   0.002  -0.005   0.001
 -0.001  -0.001  -4.230   0.003   0.000   8.273  -0.004  -0.000
  0.001   0.002   0.003  -4.230   0.001  -0.004   8.272  -0.001
 -0.000  -0.000   0.000   0.001  -4.222  -0.000  -0.001   8.263
  0.001   0.002   8.273  -0.004  -0.000 -18.310   0.006   0.000
 -0.004  -0.005  -0.004   8.272  -0.001   0.006 -18.307   0.001
  0.001   0.001  -0.000  -0.001   8.263   0.000   0.001 -18.300
 total augmentation occupancy for first ion, spin component:           1
  8.445  -3.802   0.190   0.105  -0.049   0.024   0.021  -0.008
 -3.802   1.785  -0.097  -0.075   0.029  -0.011  -0.013   0.005
  0.190  -0.097   1.776  -0.066  -0.019   0.168  -0.011  -0.004
  0.105  -0.075  -0.066   1.906  -0.069  -0.011   0.178  -0.010
 -0.049   0.029  -0.019  -0.069   1.218  -0.004  -0.010   0.080
  0.024  -0.011   0.168  -0.011  -0.004   0.018  -0.002  -0.000
  0.021  -0.013  -0.011   0.178  -0.010  -0.002   0.018  -0.001
 -0.008   0.005  -0.004  -0.010   0.080  -0.000  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -55914.29318112158.24259 36546.65981-12779.71418  6633.37191 26730.42805
  Hartree  -693.15458139265.84846 74725.41886-13175.68694  4475.92684 21169.62634
  E(xc)  -10739.39830-10599.42841-10640.47676     2.71612     8.54367    30.06821
  Local   23229.31157************************ 25956.76689-11121.13610-47342.24773
  n-local -5857.73193 -5972.68512 -6030.97087     5.25805    13.97468   -54.81161
  augment  1490.27707  1536.95257  1486.22054     4.00848    12.12316    -2.28058
  Kinetic 45593.95555 43237.48455 43773.75523   -41.07519  -104.80695  -549.37639
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       16.8249130   -445.2282403    -63.3532793    -27.7267807    -82.0027867    -18.5937150
  in kB        2.8056889    -74.2453729    -10.5646664     -4.6236626    -13.6746211     -3.1006508
  external PRESSURE =     -27.3347835 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.294E+03 -.119E+03 0.250E+03   0.294E+03 0.119E+03 -.251E+03   -.983E-01 -.675E+00 0.139E+01   0.181E-02 -.655E-03 0.673E-03
   -.254E+03 -.142E+03 0.459E+02   0.254E+03 0.143E+03 -.456E+02   -.292E-01 -.150E+01 -.364E+00   0.168E-02 -.856E-03 0.100E-02
   -.214E+03 -.133E+03 0.159E+01   0.214E+03 0.134E+03 0.144E+00   0.377E+00 -.154E+01 -.159E+01   0.145E-02 -.279E-03 0.853E-03
   -.263E+03 -.110E+03 0.357E+03   0.263E+03 0.110E+03 -.359E+03   0.152E+00 0.393E-01 0.241E+01   0.118E-02 -.544E-03 0.208E-03
   -.219E+03 -.156E+03 0.317E+03   0.219E+03 0.157E+03 -.318E+03   0.171E+00 -.899E+00 0.868E+00   0.867E-03 0.510E-05 0.180E-03
   -.192E+03 -.120E+03 0.177E+03   0.192E+03 0.120E+03 -.177E+03   0.114E+00 -.267E+00 0.132E+00   0.111E-02 -.249E-03 0.626E-03
   -.311E+03 -.142E+03 0.189E+03   0.311E+03 0.146E+03 -.191E+03   0.214E+00 -.451E+01 0.962E+00   0.156E-02 -.585E-05 0.193E-02
   -.238E+03 -.122E+03 0.115E+02   0.238E+03 0.126E+03 -.124E+02   -.685E+00 -.419E+01 0.187E+01   0.174E-02 -.732E-03 -.199E-03
   -.139E+03 0.476E+01 0.208E+03   0.139E+03 -.480E+01 -.209E+03   0.421E-01 0.154E+00 0.293E+00   0.108E-02 -.492E-03 0.640E-03
   -.118E+03 0.904E+02 0.676E+02   0.118E+03 -.919E+02 -.664E+02   0.389E+00 0.178E+01 -.950E+00   0.154E-02 -.605E-03 0.734E-03
   -.128E+03 0.123E+03 0.136E+03   0.128E+03 -.124E+03 -.136E+03   0.484E+00 0.136E+01 0.134E+00   0.202E-02 -.106E-04 0.947E-03
   -.144E+03 0.680E+01 0.345E+03   0.144E+03 -.706E+01 -.346E+03   -.203E+00 0.344E+00 0.102E+01   0.673E-03 -.251E-03 -.265E-04
   -.142E+03 -.267E+02 0.381E+03   0.142E+03 0.276E+02 -.384E+03   0.155E+00 -.119E+01 0.225E+01   0.109E-02 0.398E-03 0.575E-04
   -.153E+03 0.428E+02 0.316E+03   0.154E+03 -.428E+02 -.317E+03   -.419E-01 0.408E-01 0.141E+01   0.202E-02 0.413E-03 0.560E-03
   -.165E+03 0.123E+03 0.295E+03   0.164E+03 -.126E+03 -.298E+03   0.502E+00 0.394E+01 0.232E+01   0.200E-02 0.380E-03 0.764E-03
   -.130E+03 0.148E+03 0.103E+03   0.130E+03 -.152E+03 -.105E+03   0.640E+00 0.331E+01 0.335E+01   0.234E-02 0.315E-03 0.458E-04
   -.134E+03 0.133E+03 0.646E+02   0.134E+03 -.129E+03 -.608E+02   -.661E+00 -.521E+01 -.382E+01   0.250E-02 -.445E-04 0.213E-03
   -.610E+02 0.216E+03 -.158E+03   0.605E+02 -.218E+03 0.160E+03   0.699E+00 0.206E+01 -.165E+01   0.244E-02 -.557E-03 0.305E-03
   -.311E+02 0.159E+03 -.208E+03   0.306E+02 -.159E+03 0.210E+03   0.665E+00 0.114E+00 -.231E+01   0.235E-02 0.708E-04 0.355E-03
   -.123E+03 0.133E+03 0.193E+03   0.124E+03 -.132E+03 -.196E+03   -.117E+01 -.123E+01 0.359E+01   0.248E-02 0.113E-04 0.166E-03
   -.565E+02 0.968E+02 -.303E+01   0.551E+02 -.987E+02 0.406E+01   0.147E+01 0.177E+01 -.126E+01   0.202E-02 0.520E-04 0.120E-03
   -.579E+02 0.281E+02 -.156E+03   0.580E+02 -.285E+02 0.158E+03   -.242E+00 0.109E+00 -.613E+00   0.217E-02 -.389E-03 -.215E-03
   -.817E+02 -.287E+02 -.204E+03   0.821E+02 0.290E+02 0.203E+03   -.242E+00 -.182E+00 0.507E+00   0.194E-02 -.209E-03 -.708E-03
   -.580E+02 -.841E+02 -.268E+03   0.591E+02 0.863E+02 0.267E+03   -.554E+00 -.198E+01 0.108E+01   0.143E-02 -.369E-03 -.827E-03
   -.381E+02 -.155E+03 -.375E+03   0.378E+02 0.156E+03 0.377E+03   0.332E+00 -.606E+00 -.173E+01   0.117E-02 0.200E-03 -.181E-03
   -.140E+03 -.169E+03 -.187E+03   0.141E+03 0.169E+03 0.185E+03   -.769E+00 -.153E+00 0.237E+01   0.190E-02 -.382E-03 -.972E-03
   -.111E+03 -.297E+03 -.223E+03   0.111E+03 0.298E+03 0.223E+03   -.123E+00 -.905E+00 0.410E+00   0.159E-02 -.248E-04 -.109E-02
   -.647E+02 -.264E+03 -.329E+03   0.649E+02 0.265E+03 0.329E+03   -.173E+00 -.120E+01 -.696E+00   0.104E-02 0.114E-03 -.136E-03
   -.498E+02 -.294E+02 -.268E+03   0.548E+02 0.384E+02 0.264E+03   -.511E+01 -.886E+01 0.441E+01   0.744E-03 -.970E-03 -.192E-02
   -.578E+02 0.680E+02 0.346E+02   0.527E+02 -.771E+02 -.306E+02   0.467E+01 0.953E+01 -.439E+01   -.853E-03 0.167E-02 0.256E-03
   -.206E+03 -.325E+02 -.510E+02   0.206E+03 0.325E+02 0.524E+02   0.134E+00 -.130E+00 -.190E+01   -.419E-03 -.896E-03 0.225E-03
   -.142E+03 -.156E+03 0.119E+03   0.141E+03 0.157E+03 -.118E+03   0.161E+00 -.168E+01 -.546E+00   -.742E-03 -.510E-03 0.301E-04
   -.167E+03 -.155E+03 0.158E+03   0.167E+03 0.156E+03 -.159E+03   -.452E-01 -.198E+01 0.742E+00   -.433E-03 0.725E-04 0.342E-03
   -.320E+03 0.697E+01 -.169E+03   0.320E+03 -.886E+01 0.172E+03   0.597E+00 0.194E+01 -.312E+01   0.760E-04 -.572E-03 -.798E-04
   -.309E+03 -.715E+02 -.197E+03   0.309E+03 0.716E+02 0.198E+03   0.296E+00 -.213E+00 -.128E+01   -.859E-04 -.289E-03 -.830E-04
   -.236E+03 -.663E+02 -.283E+02   0.235E+03 0.662E+02 0.287E+02   0.332E+00 0.201E+00 -.177E+00   -.289E-03 -.112E-03 -.546E-04
   -.104E+03 -.681E+02 -.230E+02   0.104E+03 0.729E+02 0.257E+02   -.191E+00 -.395E+01 -.296E+01   -.812E-03 -.948E-03 0.187E-03
   -.571E+02 -.158E+03 0.110E+03   0.570E+02 0.161E+03 -.107E+03   0.675E-01 -.350E+01 -.391E+01   -.118E-02 -.884E-03 0.887E-03
   -.203E+03 0.490E+02 -.399E+02   0.203E+03 -.492E+02 0.401E+02   0.206E+00 0.472E+00 -.253E+00   -.499E-03 -.228E-03 0.112E-03
   -.112E+03 0.661E+02 0.169E+03   0.112E+03 -.671E+02 -.171E+03   -.104E+00 0.175E+01 0.182E+01   -.756E-03 -.421E-03 0.280E-03
   -.578E+02 0.901E+02 0.961E+02   0.575E+02 -.916E+02 -.962E+02   0.319E+00 0.182E+01 0.258E+00   -.801E-03 0.419E-03 0.372E-03
   -.229E+03 0.852E+02 -.243E+03   0.229E+03 -.862E+02 0.244E+03   0.187E+00 0.938E+00 -.948E+00   -.440E-03 0.364E-04 0.368E-03
   -.186E+03 0.436E+02 -.316E+03   0.186E+03 -.438E+02 0.318E+03   -.439E-01 0.220E+00 -.228E+01   -.389E-03 0.302E-03 0.755E-03
   -.101E+03 0.671E+02 -.172E+03   0.101E+03 -.681E+02 0.173E+03   -.487E-01 0.912E+00 -.137E+01   -.680E-03 0.482E-03 0.692E-03
   -.386E+02 0.116E+03 -.115E+03   0.380E+02 -.120E+03 0.117E+03   0.626E+00 0.475E+01 -.568E+00   -.620E-03 -.267E-03 0.382E-04
   0.124E+02 0.951E+02 0.135E+03   -.131E+02 -.996E+02 -.135E+03   0.993E+00 0.467E+01 -.192E+01   -.999E-03 0.331E-03 0.240E-02
   0.547E+02 0.634E+02 0.956E+02   -.534E+02 -.576E+02 -.975E+02   -.136E+01 -.570E+01 0.169E+01   -.538E-03 0.873E-03 -.135E-03
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   -.171E+03 0.515E+03 -.115E+03   0.197E+03 -.571E+03 0.107E+03   -.245E+02 0.546E+02 0.823E+01   -.261E-02 -.208E-02 0.325E-02
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   0.237E+03 0.102E+03 -.247E+03   -.242E+03 -.125E+03 0.293E+03   0.585E+01 0.236E+02 -.465E+02   0.163E-02 -.276E-02 -.903E-04
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   0.691E+03 -.193E+03 0.183E+03   -.728E+03 0.221E+03 -.154E+03   0.358E+02 -.284E+02 -.289E+02   -.178E-02 -.259E-03 0.287E-02
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   0.189E+03 -.101E+03 -.438E+03   -.170E+03 0.108E+03 0.494E+03   -.187E+02 -.660E+01 -.553E+02   0.502E-03 0.637E-03 -.309E-02
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   0.313E+02 -.402E+03 0.248E+02   -.597E+02 0.434E+03 0.186E+01   0.284E+02 -.322E+02 -.271E+02   0.109E-02 -.618E-03 -.311E-04
   -.180E+03 0.298E+02 0.582E+02   0.194E+03 -.608E+02 -.151E+02   -.133E+02 0.309E+02 -.431E+02   -.136E-02 -.103E-02 -.194E-03
   0.754E+03 -.617E+02 0.904E+02   -.780E+03 0.819E+02 -.132E+03   0.256E+02 -.198E+02 0.422E+02   -.134E-02 -.917E-03 0.483E-02
   -.115E+02 0.345E+03 0.108E+03   0.532E+02 -.375E+03 -.127E+03   -.423E+02 0.306E+02 0.187E+02   0.100E-02 -.291E-02 -.204E-02
   0.868E+03 0.269E+03 0.145E+03   -.909E+03 -.301E+03 -.127E+03   0.407E+02 0.318E+02 -.178E+02   0.124E-02 -.801E-03 0.423E-02
   0.782E+03 -.100E+03 -.568E+03   -.791E+03 0.110E+03 0.620E+03   0.903E+01 -.981E+01 -.513E+02   -.378E-02 -.535E-03 -.632E-03
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   -.388E+03 -.348E+03 0.164E+03   0.411E+03 0.377E+03 -.199E+03   -.223E+02 -.292E+02 0.351E+02   0.152E-02 0.204E-03 -.971E-03
   0.209E+03 -.528E+03 -.240E+03   -.235E+03 0.564E+03 0.275E+03   0.263E+02 -.357E+02 -.341E+02   0.435E-02 0.206E-02 -.116E-02
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   0.327E+03 0.145E+03 0.105E+03   -.361E+03 -.147E+03 -.146E+03   0.342E+02 0.184E+01 0.409E+02   0.192E-02 -.723E-04 -.144E-02
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   -.121E+03 0.304E+02 0.130E+03   0.146E+03 -.463E+02 -.175E+03   -.250E+02 0.163E+02 0.450E+02   0.397E-03 -.217E-03 -.579E-02
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   -.245E+03 0.187E+03 0.671E+03   0.285E+03 -.212E+03 -.696E+03   -.399E+02 0.249E+02 0.244E+02   -.645E-04 0.157E-02 0.434E-02
   0.116E+03 0.409E+03 0.296E+03   -.149E+03 -.444E+03 -.276E+03   0.326E+02 0.350E+02 -.198E+02   0.204E-02 0.159E-02 0.104E-02
 -----------------------------------------------------------------------------------------------
   -.760E+01 0.159E+02 0.260E+02   -.133E-10 -.568E-13 0.500E-11   0.754E+01 -.159E+02 -.260E+02   0.593E-01 -.378E-01 -.399E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.84631      3.16924      1.41428         0.112045     -0.250738      0.098299
     12.67210      3.61063      2.72844         0.068883     -0.416374     -0.097457
     12.62801      4.98653      3.03443         0.127364     -0.257155      0.150528
     12.89353      4.07605      0.37030         0.230826      0.130331      0.005478
     12.89166      5.43975      0.68279         0.047722     -0.247156     -0.109862
     12.79137      5.95358      1.99838         0.027992     -0.286961     -0.071663
     12.90606      1.67791      1.37587         0.452335     -0.312136     -0.776610
     12.47566      2.35581      3.57010        -0.252918      0.143837      0.930527
     12.88704      7.43803      2.22567         0.091242      0.111040      0.028425
     12.81683      8.03693      3.50747         0.156433      0.304143      0.255342
     13.11119      9.40215      3.65270         0.223989      0.446189      0.216253
     13.14204      8.32506      1.14733         0.076132      0.079503     -0.186176
     13.33113      9.70612      1.28445         0.234787     -0.338590     -0.098119
     13.35660     10.23349      2.56187         0.101253      0.050585      0.070760
     13.60253     11.63214      3.01962        -0.033679      0.978070     -0.640491
     13.25674     10.27096      4.88120         0.026236     -0.475897      1.013926
     13.66350     12.79351      5.29950        -0.166971     -0.935082     -0.053275
     13.31302     12.69546      6.64776         0.178214      0.597269      0.212742
     13.35507     13.81362      7.48018         0.163936     -0.192508     -0.482429
     13.96094     14.09019      4.83731        -0.182899     -0.539658      0.607421
     13.97102     15.19695      5.70988         0.087346     -0.181829     -0.227799
     13.70770     15.12087      7.10407        -0.143251     -0.212019      0.674692
     13.73609     16.24580      8.15048         0.151996      0.129834     -0.141058
     13.20025     16.19600      9.49062         0.525687      0.166279     -0.141193
     13.35392     17.27688     10.37818         0.021522      0.042416      0.072327
     14.29334     17.51308      7.84650         0.100925      0.166068      0.413792
     14.35845     18.61071      8.70376        -0.104854     -0.285809      0.305963
     13.92703     18.49867     10.02261         0.014543     -0.003096     -0.196664
     12.50140     15.01355     10.09546        -0.167627      0.071227      0.607824
     14.45143     16.44749      5.06976        -0.394768      0.471693     -0.361555
      9.67058      3.85795      4.81944         0.066405     -0.151004     -0.515660
      9.82770      4.80761      3.81237        -0.084298     -0.505593     -0.102102
      9.98924      6.15852      4.12936        -0.160746     -0.215139     -0.329953
      9.62243      4.22312      6.14145         0.156085      0.044948     -0.031215
      9.71186      5.56969      6.45947         0.044722     -0.105235      0.050063
      9.92131      6.56602      5.48014        -0.009636      0.099224      0.149694
      9.54098      2.49269      4.24747         0.022248      0.892977     -0.265879
      9.83532      4.06248      2.50677        -0.037139     -0.035958     -0.842146
     10.03976      7.99698      5.87150         0.044034      0.192898     -0.031123
     10.28382      8.98074      4.88915        -0.096750      0.698792     -0.142188
     10.32170     10.32753      5.26112         0.087617      0.239444      0.119031
      9.89952      8.44335      7.21092         0.057842     -0.049549     -0.067266
     10.01421      9.78474      7.58699        -0.076467      0.065745     -0.139039
     10.21727     10.73225      6.59533        -0.080736     -0.041004     -0.275865
     10.35430     12.20703      6.67937        -0.029505      0.471038      0.485573
     10.55869     11.55872      4.44789         0.328740      0.186819     -2.043420
     10.88923     14.05237      4.99289        -0.072864      0.109848     -0.182304
     11.36287     14.39853      3.72063         0.126918      0.504242      0.085886
     11.71324     15.72288      3.43546         0.234851     -0.299589      0.316454
     10.84892     15.12471      5.91899         0.045530     -0.131698     -0.169022
     11.13239     16.47956      5.59298        -0.099189     -0.514834     -0.354213
     11.58849     16.85181      4.28126        -0.025614     -0.226537     -0.693818
     12.02199     18.23297      3.76039         0.017859      0.229938      0.376814
     12.50705     18.59132      2.44376         0.058200      0.631764      0.343302
     12.67263     19.96623      2.12765         0.023997      0.427277      0.225218
     11.91608     19.34861      4.62690         0.111389      0.362007     -0.501973
     12.10685     20.70460      4.32883         0.061387     -0.769853     -0.045382
     12.50413     21.05908      3.04243        -0.143122     -0.011496     -0.155008
     12.81192     17.64826      1.26423         0.335960     -0.518534     -0.566657
     10.86913     17.44561      6.72065        -0.460596     -0.214850      0.724158
     10.17398      7.15598     14.59191        -0.044852      0.080492      0.454153
     10.07325      7.60850     15.91954        -0.155873     -0.632314     -0.153103
     10.04565      8.97571     16.22868         0.126617      0.093205      0.191274
     10.19764      8.09304     13.55925         0.167475     -0.235232      0.033416
     10.22394      9.46234     13.88061         0.060203     -0.238709     -0.309290
     10.17645      9.96610     15.20346         0.154242     -0.305509      0.131002
     10.08717      5.66609     14.58607         1.254290     -2.163935     -2.755538
      9.79884      6.37953     16.78139        -0.140957     -0.109328      1.182531
     10.25954     11.45387     15.48800         0.085783      0.018858      0.044380
     10.18544     12.00682     16.79471         0.158374      0.149579      0.310535
     10.38044     13.38550     16.99293         0.264665      0.523094      0.212382
     10.46453     12.38870     14.43873         0.105362      0.050923     -0.189144
     10.61035     13.76808     14.62880         0.208821     -0.203448     -0.081889
     10.59173     14.25527     15.92469         0.146586      0.164220      0.056741
     10.72576     15.66467     16.40637        -0.060598      0.443566     -0.212735
     10.37845     14.25498     18.24017         0.047435     -0.009991      0.893616
     10.55152     16.85468     18.65583         0.103737     -0.553221     -0.046790
     10.16779     16.77590     19.99123         0.073647      0.781515      0.186195
     10.00003     17.94561     20.75121         0.125262     -0.191116     -0.373733
     10.79025     18.18404     18.18459         0.148914     -0.580406      0.309367
     10.75845     19.32293     19.02239        -0.096499     -0.506770      0.141972
     10.31743     19.27634     20.39614        -0.063882     -0.393691      0.278243
     10.15703     20.42738      0.15349         0.378922      0.341733      0.013083
      9.71583     20.34381      1.52618        -0.369172     -0.224387     -0.340358
      9.60790      0.20087      2.37004         0.108844      0.151028     -0.154797
     10.51357      0.51663     21.11726         0.156034     -0.098521      0.176462
     10.26046      1.66069      0.61602        -0.373757     -0.439205      0.301683
      9.79223      1.52317      1.93863         0.229351      0.806283     -0.531090
      9.26410     19.07797      2.22003         0.480429      0.034930      0.624788
     11.14118     20.60893     18.38340         0.240885      0.859747     -0.513462
      7.03407      7.63972     17.54263         0.087639     -0.231068     -0.385875
      7.14466      8.59777     16.53757         0.301131     -0.111757     -0.208855
      7.36476      9.94794     16.85504        -0.238873     -0.169712     -0.456604
      7.07735      8.00029     18.87524         0.167186      0.316157      0.099676
      7.12539      9.36567     19.18322         0.082127     -0.347921     -0.123190
      7.27673     10.37696     18.19943        -0.009147      0.027398     -0.052012
      6.86398      6.28905     16.93560        -0.208826     -0.471243      0.269367
      7.14111      7.87009     15.21219         0.143778      0.115548     -1.046107
      7.31049     11.82860     18.57897         0.000737      0.262176      0.034459
      7.52598     12.89073     17.65767        -0.176761      0.522436     -0.163728
      7.45808     14.22925     18.09072        -0.104382      0.307505      0.163398
      7.08934     12.21300     19.91737         0.056453      0.103389      0.072415
      7.07927     13.53990     20.35887         0.052333      0.076796     -0.069852
      7.24354     14.55872     19.43812        -0.040910      0.054966     -0.390186
      7.27127     16.04323     19.61838        -0.189778      0.291850      0.839503
      7.66933     15.53358     17.36427         0.335707      0.083688     -1.493218
      7.72053     18.01503     18.07140        -0.210578      0.183878     -0.075768
      8.34576     18.43475     16.89076        -0.005900      0.464891      0.271624
      8.64727     19.78757     16.69040         0.118563     -0.581325      0.260925
      7.42493     19.06368     18.99016         0.067851     -0.058482     -0.327403
      7.57805     20.44530     18.66957        -0.092642     -0.685383     -0.389547
      8.20636     20.88275     17.46113         0.082501     -0.099944     -0.636653
      8.59418      1.03765     16.99422        -0.004843      0.251392      0.274954
      9.04169      1.35092     15.66979         0.430573      0.520888      0.255986
      9.40474      2.71018     15.34639         0.135284      0.220482     -0.038859
      8.61418      2.16946     17.87590         0.456591      0.336084     -0.410142
      8.98723      3.49594     17.56125         0.061847     -0.943580     -0.357219
      9.42615      3.81019     16.25451        -0.102605     -0.047658      0.353174
      9.33381      0.35345     14.51246        -0.163291     -1.786609     -0.101864
      7.10387      0.14926     19.70620        -0.977380     -0.137994      0.553693
      7.00534     10.85755      6.11148        -0.109369     -0.084106      0.184164
      6.82551     11.34158      7.41351        -0.048893     -0.211143     -0.049540
      6.95233     12.70655      7.72562        -0.153172     -0.483385      0.091068
      7.35289     11.72570      5.08987        -0.134573      0.068065      0.074631
      7.48175     13.08614      5.40353        -0.122905     -0.187190     -0.165698
      7.27099     13.63035      6.69695        -0.114505     -0.092607     -0.039235
      6.88624      9.36563      6.09728         0.126963      0.495436      0.140836
      6.58345     10.14131      8.29768         0.192762      0.063581      0.281082
      7.37367     15.11107      6.92792        -0.098143      0.042359     -0.014030
      7.11964     15.73458      8.17398        -0.103939      0.432874      0.178860
      7.23944     17.13497      8.28843        -0.088265      0.251157      0.148561
      7.72900     15.96948      5.86083        -0.088192      0.342052     -0.206799
      7.77469     17.36260      5.95597        -0.211265     -0.193767      0.076375
      7.53812     17.94793      7.19186        -0.151956      0.203836      0.319259
      7.72159     19.38102      7.63942        -0.068425     -0.103505      0.059166
      7.17552     18.02941      9.50395         0.176288     -0.014741      0.317410
      7.52548     20.58914      9.88993         0.108553     -0.338381     -0.089491
      7.06804     20.54370     11.21288         0.102498      0.632880      0.225785
      6.91223      0.45026     11.98847         0.089215     -0.521695     -0.640137
      7.90894      0.63050      9.46275        -0.077746     -0.261531      0.403179
      7.93082      1.74143     10.37068         0.150696     -0.458596     -0.122848
      7.42891      1.73631     11.70762        -0.295374     -0.061810      0.426911
      7.37180      2.91359     12.75871         0.007814      0.643979      0.386538
      6.87262      2.91552     14.12380         0.169512     -0.739128     -0.488546
      6.75187      4.01961     14.98367         0.360327      0.041773     -0.663153
      7.80481      4.24070     12.51715         0.081454     -0.187584      0.228821
      7.63243      5.39078     13.31172        -0.060376      0.162087     -0.057600
      7.07382      5.33310     14.60263         0.397821      0.314239     -0.385239
      6.24123      1.69460     14.71996        -0.183482      1.882291     -0.013978
      8.53423      2.96742      9.81144         0.434716      0.113569     -0.745217
      4.02929     11.51145     10.78009         0.037534     -0.275607     -0.329613
      3.75574     12.39913      9.73542         0.046314     -0.195133     -0.205988
      3.82169     13.78168      9.91575        -0.001565     -0.370194     -0.205388
      4.37162     11.97852     12.03514         0.049368      0.123851     -0.088228
      4.42682     13.36273     12.22153         0.056569     -0.106634      0.017499
      4.16734     14.29470     11.18771         0.047129      0.175462     -0.068747
      3.86504     10.10991     10.30454        -0.026141     -0.443603      0.239806
      3.39079     11.58762      8.52180        -0.027035     -0.126804     -0.188764
      4.26918     15.77346     11.41290         0.014320     -0.012415     -0.136370
      4.09069     16.70323     10.35042         0.080898      0.338808      0.025253
      4.16205     18.07941     10.61621         0.066048      0.647889      0.168984
      4.59682     16.28629     12.69074         0.136769      0.100318      0.002949
      4.75841     17.64528     12.92971        -0.230579      0.483390     -0.805611
      4.45759     18.54065     11.90134        -0.076712      0.107410      0.155385
      4.42779     20.05145     11.96782        -0.456340     -4.384440     -5.325068
      4.19274     19.30660      9.71018         0.087280     -0.046352      0.687462
      4.52114      0.62651     10.16048        -0.100713     -0.406924     -0.493650
      4.85233      0.93592      8.83018         0.139640      0.822772      0.187309
      5.21527      2.25452      8.47770        -0.247415     -0.311637      0.145828
      4.49923      1.75984     11.00964        -0.086386     -0.036348     -0.040267
      4.79642      3.11453     10.63086        -0.178267     -0.442792     -0.389859
      5.29197      3.41144      9.30810         0.222769     -0.171070     -0.684620
      5.85851      4.80137      8.70122         0.057805     -0.282388      0.862396
      6.32597      5.10001      7.37390         0.498175      0.684156      0.339959
      6.59304      6.45733      6.99830         0.207449     -0.288337     -0.095054
      5.83504      5.94745      9.51855         0.636380      1.235220     -0.859381
      6.13570      7.28563      9.16562        -0.156043     -1.273981     -0.331163
      6.48782      7.58539      7.84341        -0.310913      0.122850      0.633165
      6.43317      4.03892      6.28024         0.567657     -0.122129     -0.175095
      4.60898      4.10786     11.76982        -0.782342     -0.426787      1.058243
      1.20177     14.35751      0.74211        -0.133630     -0.317027     -0.060678
      1.77763     14.77759      1.94541        -0.253994     -0.396794      0.003453
      1.71248     16.14316      2.29065        -0.023847      0.029184      0.156852
      0.74869     15.24486     21.02996        -0.177291      0.296842      0.798210
      0.77328     16.60175      0.10162        -0.014539     -0.818827     -0.213150
      1.16796     17.09651      1.36371         0.024402      0.001206     -0.051451
      1.22769     12.88778      0.65005        -0.450710     -0.748023     -0.595734
      2.39669     13.50938      2.58037         0.210558     -0.411654      0.732376
      1.03922     18.59318      1.56221        -0.233677     -0.099017     -0.139911
      1.39560     19.26575      2.75150        -0.042981      0.210458      0.397222
      1.21899     20.65219      2.83355        -0.108197      0.449304     -0.115427
      0.53971     19.41024      0.49903        -0.087903      0.101116      0.095299
      0.36916     20.79469      0.58309        -0.155266     -0.236529     -0.361291
      0.69614      0.14347      1.76687         0.183147      0.172236      0.651855
      0.71756      1.59809      2.08534        -0.188190     -0.044695     -0.072330
      1.62107      0.36654      3.90217         0.169705      0.071554      0.246502
      1.47001      2.94721      4.05650        -0.014900     -0.241620     -0.058031
      2.03467      2.93190      5.32130        -0.201047      0.337182     -0.005065
      2.18188      4.10839      6.03278        -0.315835      0.053098     -0.365806
      1.08743      4.23117      3.59137         0.092983     -0.490936      0.297348
      1.28962      5.40062      4.35577        -0.357693      0.060444     -0.195451
      1.89089      5.44514      5.64556         0.194941     -0.455306      0.238054
      2.23494      6.68647      6.49847        -0.143717     -0.006762      0.022101
      2.76968      6.63643      7.80751        -0.208514     -0.058989     -0.123404
      3.25214      7.73777      8.55626        -0.377380     -0.506200     -0.012164
      2.15136      8.03825      6.09681         0.264246      0.683245      0.828851
      2.58023      9.17199      6.81710         0.127677     -0.431852     -0.039732
      3.14378      9.04723      8.11097        -0.218077      1.090243     -0.508163
      2.97272      5.32621      8.46334         0.596090      0.076294     -0.464822
      0.70356      6.62569      3.74460        -0.145167      0.701380     -0.718400
      4.66731     14.07807      0.71516         0.021487     -0.078457     -0.171830
      3.99544     14.99728     -0.09717        -0.028190     -0.081128     -0.012854
      3.97671     16.36732      0.27538         0.031396      0.350998     -0.150560
      5.39004     14.51263      1.82221         0.123566      0.320817     -0.013248
      5.41631     15.88274      2.13929         0.031637     -0.264787     -0.091735
      4.69832     16.87736      1.41679        -0.016135     -0.318763     -0.217947
      4.52316     12.69485      0.17070         0.320904     -0.728986      0.438279
      3.37044     14.17638     20.01545        -0.418328      0.010482     -0.637189
      4.76247     18.35152      1.87024        -0.049612      0.220158     -0.078200
      4.08332     19.44854      1.24311         0.000401      0.026368     -0.128982
      4.22888     20.77283      1.71800         0.025095      0.313400     -0.034019
      5.56893     18.72549      2.98428         0.080501      0.097032      0.164503
      5.72518     20.03846      3.46485        -0.123576     -0.140828     -0.218503
      5.03611     21.05720      2.82419         0.045417      0.260508     -0.078834
      5.06064      1.27795      3.10878        -0.145770     -0.335276     -0.428417
      3.67020      0.85723      1.23604         0.070884      0.191313     -0.235295
      3.88419      3.32813      2.13130         0.461139     -0.290623      0.070093
      3.02418      3.90649      1.20102        -0.018086      0.060963     -0.343923
      2.75071      5.27703      1.17450        -0.211369      0.032603      0.266424
      4.35864      4.27676      3.07097        -0.250723     -0.394450     -0.464853
      4.10704      5.66921      2.94742         0.403590      0.190061     -0.025413
      3.37162      6.33101      1.94558        -0.553365      0.021661     -0.475104
      3.14932      8.00657      1.84294         0.756698     -0.485598      0.543056
      2.20395      8.61958      0.98792         0.526775      0.099372     -0.021793
      1.97710     10.00831      0.82729        -0.264616     -0.755270      0.010607
      3.73362      9.00846      2.68070        -0.974700      1.080194     -0.532444
      3.35935     10.39251      2.67460        -0.213368     -0.486945      0.026756
      2.48749     10.97786      1.71198         0.177461     -0.542829      0.857016
      1.60520      7.65484      0.04921        -0.747213      0.443861     -0.857347
      4.77193      6.47965      3.98458        -0.056032      0.088527      0.667303
     18.26869     17.32127     13.39248        -0.138995     -0.191906      0.358723
     19.30894     17.83076     14.17058        -0.115313     -0.417055      0.173328
     19.53614     19.20803     14.30151         0.072585     -0.479006      0.224922
     17.42533     18.18797     12.71550        -0.201548      0.241808      0.086732
     17.61909     19.56494     12.88975        -0.029178     -0.048235     -0.044589
     18.65739     20.12303     13.67888         0.020925     -0.074342     -0.011352
     18.25587     15.82981     13.47968        -0.680602     -0.734363     -0.366899
     20.04097     16.64568     14.73883         1.037626      0.126479      0.990893
     18.79409      0.34539     13.88299         0.025648      0.174060      0.145338
     19.83802      0.91781     14.65737         0.002103      0.587324      0.372404
     19.80115      2.29231     14.97326        -0.102805      0.330268      0.376111
     17.80873      1.24080     13.40505        -0.265590      0.158511     -0.067508
     17.79530      2.61803     13.66916         0.129298     -0.078284      0.278341
     18.79863      3.13964     14.48274         0.091548      0.074900      0.182963
     18.98823      4.53753     15.02012         0.137066     -0.055121     -0.143655
     20.62574      3.11886     15.95176         0.545458     -0.411115      0.685971
     20.69502      5.62379     16.62037         0.275456      0.041912      0.068610
      0.75723      5.59408     17.13154        -0.918133     -0.173415     -0.321644
      1.40362      6.77689     17.47445         0.367666     -0.107376     -0.448964
     20.12852      6.93412     16.61875         0.463233     -0.598726     -0.016615
     20.74993      8.06344     17.22394         0.574671     -0.342850      0.537494
      0.85694      8.04508     17.73536        -0.440722      0.031205     -0.510769
      1.73409      9.18412     18.35355        -1.349291      1.120516      0.198306
      3.03479      9.11716     18.98210         0.066177     -0.173422     -0.416461
      3.66109     10.22365     19.60452        -0.251924      0.622979      0.409533
      1.15473     10.47533     18.57956         1.596242     -0.381331      0.309228
      1.85263     11.61627     19.06206        -1.050102      0.338291     -0.517273
      3.11565     11.55547     19.63177         0.177093     -0.220951     -0.144104
      3.93457      7.89157     18.90553        -0.928283     -1.136248     -0.047069
     19.83917      9.24344     17.36591        -0.137927     -0.342670      0.492202
      2.03538     18.15599     14.12515         0.113236      0.111952     -0.149815
      1.28238     19.13243     13.48515        -0.110460     -0.470011     -0.392853
      1.41685     20.48382     13.77952        -0.441098     -0.387288     -0.134206
      3.01985     18.53234     15.02639         0.211733      0.179062      0.096166
      3.24987     19.89679     15.22015        -0.082290     -0.016954      0.327115
      2.39878     20.90457     14.69171        -0.069001      0.141554      0.139937
      1.71247     16.83601     13.56682        -0.194151     -1.523264      0.790681
      0.41738     18.43123     12.48693        -0.764314     -0.228657     -1.064464
      2.55578      1.09481     14.99970        -0.165690      0.106794     -0.037372
      1.79837      2.07044     14.31117        -0.000665      0.771286     -0.007311
      2.09732      3.42625     14.50808        -0.013758      0.786074      0.288898
      3.52082      1.55475     15.91584        -0.254268     -0.060074      0.289580
      3.79083      2.90947     16.14154        -0.408182      0.253285     -0.289038
      3.09004      3.84542     15.39696         0.008631     -0.032472      0.032291
      3.19297      5.34655     15.43266        -2.436341     -2.224281     -1.766032
      1.41289      4.68354     14.06678        -2.545928      0.318142     -1.389421
      1.58536      7.22510     14.65264        -0.288148     -0.228527     -0.640894
      0.31773      7.52467     14.13008        -0.417934      0.469526      0.023749
     21.06338      8.83142     14.16746         0.036194      0.028155      0.200193
      2.23085      8.35816     15.24790        -0.117928     -0.542519     -0.278508
      1.72277      9.68151     15.22848        -0.203768     -0.386280     -0.235006
      0.42296      9.99807     14.68314        -0.106470     -0.232915     -0.424353
     20.93157     11.34355     14.65572         0.053332      0.198961      0.100647
     19.59141     11.60630     14.14166         0.258592      0.451462      0.109908
     19.13651     12.93470     14.01836         0.112980      0.544267      0.235900
      0.31742     12.54195     15.05293        -0.043773      0.096471     -0.338914
     -0.16895     13.85061     15.03372        -0.012627     -0.525860      0.038901
     19.83103     14.09098     14.48664         0.115271      0.168722      0.173280
     18.59558     10.60076     13.54901        -0.758129     -0.233272      0.109838
      2.62160     10.71477     15.84907         0.844296     -0.263989     -0.209172
     16.11907      0.42389      5.16113         0.221301     -0.149084      0.300827
     16.94739      0.90888      6.18537        -0.072945     -0.181557     -0.140937
     17.03578      2.28310      6.46165         0.013498     -0.293702      0.186081
     15.28443      1.28894      4.48489        -0.004959      0.102403      0.094263
     15.34304      2.65381      4.79715        -0.022071     -0.097154      0.001641
     16.23429      3.21091      5.74367        -0.125963     -0.097162      0.017551
     16.36567     20.22647      4.93969        -0.183606     -0.222700     -0.287042
     17.67484     20.98196      6.76113         0.027754     -0.236633      0.692518
     16.28263      4.70284      5.97806        -0.098109     -0.082108      0.024402
     17.15933      5.30557      6.91161        -0.009506      0.381710      0.277071
     17.11231      6.69387      7.12804        -0.051655      0.142537      0.199812
     15.40291      5.58099      5.29577        -0.068040      0.218341     -0.064760
     15.37259      6.96904      5.49185         0.102749     -0.200088     -0.015903
     16.25087      7.52722      6.40460         0.168946      0.102048      0.272864
     16.41951      8.95231      6.84308        -0.014515     -0.045473      0.051631
     17.78902      7.54468      8.17785        -0.391714      0.100385      0.201210
     17.83859     10.10870      8.60356        -0.163891     -0.266010     -0.133376
     18.86405      9.99077      9.53266         0.050727      0.709645      0.312240
     19.42879     11.12378     10.13505        -0.299555     -0.327443     -0.432547
     17.40383     11.44514      8.37362         0.204223     -0.190565      0.183495
     17.91627     12.56013      9.09408        -0.148260     -0.576430      0.103535
     18.98736     12.46195     10.05906         0.361190     -0.131886      0.071930
     19.73337     13.58489     10.83677        -0.126810      0.460873     -0.127381
     20.96781     13.49791     11.58005        -0.029300     -0.659598     -0.198347
      0.37316     14.58439     12.13359         0.021156      0.833144      0.096380
     19.29459     14.93754     10.84879        -0.400997     -0.362275     -0.192150
     19.97816     16.06451     11.32900        -0.136938     -0.029052      0.133912
     21.20805     15.91288     11.99942        -0.552117      0.774767     -0.422615
      0.51394     12.24586     11.79573         0.309933     -0.170319      0.041906
     17.22047     13.84000      8.77159        -0.192901      0.535764     -0.580857
     20.32961      1.28372      6.14961        -0.113473     -0.044795     -0.195528
     19.77982      2.34933      5.41344        -0.001026     -0.068730      0.032338
     19.83353      3.65607      5.87014        -0.112680     -0.240009     -0.420745
     20.86200      1.50726      7.41103         0.063771      0.216414     -0.046904
     20.92815      2.83112      7.86337        -0.074280     -0.046645     -0.164734
     20.45468      3.93463      7.10201        -0.009767      0.171773      0.188056
     20.10585      0.01798      5.39534         0.295188     -0.579560     -0.548609
     19.04741      1.79472      4.22853        -0.016435     -0.513725     -0.146638
     20.59638      5.36117      7.52945        -0.195949     -0.478045      0.191177
     20.18935      6.38650      6.66247         0.041121      0.591880      0.336866
     20.45435      7.71356      7.00573         0.074387      0.264249      0.489488
     -0.10986      5.71924      8.77394        -0.246498      0.240796      0.125859
      0.19832      7.03132      9.10404        -0.279935      0.602106     -0.371998
     21.13035      8.02335      8.18541        -0.176951      0.351973      0.037579
      0.05864      9.50729      8.28184        -0.851558     -1.186298     -1.261952
     20.07862      9.00298      6.34414         0.070192     -0.136646      0.354258
     20.37070     11.48753      6.95463        -0.044263     -0.141522     -0.366470
     19.52371     11.88374      5.91552        -0.129903      0.743449     -0.244693
     19.21209     13.23559      5.70168         0.102706     -0.315556      0.136462
     20.89415     12.56971      7.72329        -0.096899     -0.215020     -0.438750
     20.63603     13.93812      7.42771        -0.125269     -0.647389     -0.341532
     19.71174     14.36013      6.40851        -0.355166     -0.063824     -0.621707
     19.16724     15.79232      6.10924         0.388779      0.170669      0.308172
     18.28319     16.21095      5.05302         0.229737      0.310064      0.264991
     17.77817     17.53109      4.96027         0.266560     -0.087272     -0.031567
     19.45749     16.89618      6.96002        -0.359467      0.521688     -0.321216
     18.91054     18.18754      6.91639         0.053962     -0.497648     -0.193329
     17.98993     18.54177      5.92313         0.252269      0.025816      0.086727
     17.75479     15.26788      4.00365        -0.060925      0.409278     -0.349316
      0.14511     14.92424      8.23398         0.806738      0.060663      0.419112
     12.40955      5.27781      4.06614         0.284089      0.036494     -0.114250
     12.93002      3.72883     20.59284         0.118900      0.094733      0.060516
     12.98342      6.10403     21.09309        -0.066700      0.284668     -0.112220
     12.51065      7.47963      4.39719         0.264402     -0.103517     -0.085268
     13.24216      7.94328      0.13610        -0.092410     -0.146252     -0.097908
     13.54663     10.32841      0.41816        -0.079970      0.042546     -0.108148
     13.06534     13.57183      8.47274         0.043321     -0.015296      0.296694
     12.91186     11.80874      7.11691         0.348848     -0.415385     -0.193179
     14.07491     14.25164      3.78294         0.421397      0.063557     -0.334195
     12.99004     17.13626     11.39031        -0.101870      0.067899      0.130148
     14.60172     17.80123      6.86287         0.294851     -0.406054      0.255857
     14.70095     19.55127      8.26791         0.156475      0.058302      0.226437
     10.19287      6.85729      3.31874        -0.210029      0.079877      0.018310
      9.42959      3.45954      6.87254         0.268433      0.057213      0.154871
      9.56342      5.82160      7.50305         0.166116      0.232668      0.182378
     10.49630      8.72339      3.84747        -0.401405      0.077483      0.169002
      9.66845      7.74027      8.00435         0.056356     -0.223937      0.055488
      9.90439     10.09655      8.62171         0.014176     -0.052037      0.208481
     12.29884     15.76279      2.53257        -0.227187      0.280247      0.008565
     11.67890     13.67181      2.97702        -0.422681     -0.147976      0.040873
     10.70627     14.87681      6.96128        -0.434202      0.080714      0.063846
     12.79244     20.21991      1.08504         0.538642      0.000890     -0.095188
     11.68000     19.24149      5.66227        -0.162343     -0.246235     -0.024814
     11.85402      0.14847      5.12025         0.268750      0.156469     -0.173085
      9.82416      9.27497     17.25914         0.376503     -0.082482     -0.079629
     10.14181      7.75887     12.51346         0.174529      0.166030      0.234070
     10.25310     10.12561     13.01494        -0.016902      0.184234      0.162754
      9.91250     11.40000     17.66107         0.301280     -0.086732     -0.034184
     10.54758     12.05306     13.40958        -0.044984     -0.200108     -0.116378
     10.79695     14.43992     13.79002        -0.092224     -0.052992     -0.087022
      9.66891     17.67758      0.46811        -0.294699      0.256897      0.009891
      9.97082     15.85641     20.53402         0.038614     -0.196268     -0.355272
     10.89902     18.32116     17.11750         0.594586      0.095029     -0.016533
      9.53404      0.04049      3.43198        -0.610978     -0.116177      0.124188
     11.06308      0.78893     20.23892         0.049711     -0.276919     -0.011926
     10.49264      2.61589      0.13980        -0.107217     -0.049322      0.363889
      7.68004     10.62756     16.05673        -0.506154      0.047902      0.058651
      6.94753      7.24737     19.65330         0.282714      0.080040     -0.041735
      6.99311      9.60690     20.23070         0.192725      0.241086      0.204691
      7.80534     12.70357     16.61827        -0.391983     -0.018455      0.033759
      6.84181     11.47739     20.67251         0.183494     -0.226409      0.042952
      6.86631     13.78341      0.13747         0.380646     -0.138292     -0.045121
      9.48447     19.86287     16.01626        -0.401021      0.469085     -0.312744
      8.81937     17.74171     16.20131        -0.295583     -0.103624     -0.014128
      7.18620     18.80363     20.01342        -0.504231     -0.006870      0.006146
      9.54775      2.98512     14.30386         0.510297     -0.322346      0.019896
      8.50342      2.05557     18.94820        -0.431306     -0.222620     -0.223915
      8.88899      4.21675     18.36786         0.255606      0.150069     -0.135345
      6.80679     13.01881      8.76399         0.045769      0.030443     -0.113779
      7.54445     11.33794      4.08331        -0.056004      0.180011      0.063161
      7.78304     13.71613      4.57393        -0.025008      0.287399     -0.029244
      6.81713     15.16550      9.05520         0.133113     -0.043890     -0.000733
      8.04289     15.57532      4.89973        -0.107057     -0.254499     -0.100800
      8.13526     17.96603      5.12535        -0.288798     -0.089736     -0.100300
      6.20693      0.25704     12.77150         0.477731      0.292172      0.330218
      6.71148     19.61701     11.66005         0.155784     -0.001691     -0.159933
      8.13853      0.80044      8.40870         0.221495     -0.049567      0.321480
      6.55262      3.81878     16.01505        -0.451670      0.049390      0.288523
      8.20032      4.50694     11.57259         0.495495      0.086148     -0.262179
      7.91497      6.31284     12.78510        -0.108747     -0.068803      0.593127
      3.57878     14.43688      9.07879         0.024239     -0.050289      0.027335
      4.56929     11.28438     12.84979         0.033285      0.025534      0.050232
      4.66917     13.69266     13.22539         0.080428      0.246858      0.115463
      3.94728     16.37148      9.32056        -0.110329      0.014963      0.056946
      4.66786     15.65676     13.57223         0.238173     -0.357752     -0.152564
      5.06207     18.03997     13.88711         0.204727     -0.107112      0.249089
      5.42238      2.29103      7.41981         0.110717      0.220136      0.279669
      4.93136      0.20474      8.03099        -0.228926     -0.201261      0.116824
      4.39129      1.56509     12.06479        -0.531998      0.152831      0.109928
      6.81817      6.65169      5.96035         0.300076     -0.124022     -0.007968
      5.46321      5.95759     10.50726        -0.120201     -0.356549      0.318457
      5.91583      8.02177      9.92876         0.287144      0.239955     -0.032517
      2.11159     16.46653      3.25313        -0.024584      0.054495      0.035865
      0.42858     14.91381     20.04504        -0.102140     -0.065477      0.035292
      0.51057     17.25293     20.54481        -0.238958      0.411448     -0.092269
      1.83492     18.74831      3.60995        -0.104216     -0.039165     -0.083478
      0.26681     19.00580     20.79361        -0.022573     -0.371216     -0.117359
      0.02986      0.14980     20.99773         0.008361     -0.304699      0.072396
      2.50075      3.80135      6.98133         0.214970      0.230541      0.362879
      2.32811      2.02370      5.84373        -0.079186     -0.010241     -0.285913
      0.66295      4.31976      2.60394        -0.273514      0.048320     -0.010067
      3.69588      7.54857      9.51998        -0.234448      0.030306      0.132697
      1.79114      8.33748      5.15456        -0.415730     -0.003389     -0.785888
      2.49419     10.13463      6.30168        -0.041556     -0.139678      0.342451
      3.33012     17.05425     20.98338         0.295989     -0.027187     -0.244972
      6.00007     13.80057      2.39158        -0.253228      0.114954      0.063179
      6.05920     16.13848      2.97962        -0.108279      0.215157      0.065143
      3.40742     19.27370      0.40308         0.186619      0.027690     -0.086873
      6.16386     17.99551      3.52178        -0.059416     -0.323821     -0.032223
      6.40210     20.28041      4.29094        -0.094195     -0.199190     -0.002740
      1.88780      5.39302      0.54558         0.222614      0.235943     -0.039165
      2.44185      3.32922      0.48300         0.223925     -0.148943      0.151085
      4.85883      3.93109      3.95797         0.302142     -0.012225     -0.097196
      1.42235     10.27372     21.19891        -0.484053      0.122665      0.215560
      4.30002      8.80317      3.55891         0.649019     -0.103627     -0.197322
      3.70871     10.94127      3.55101         0.153297      0.320476     -0.307759
     20.43779     19.53176     14.82756        -0.342853      0.037022      0.236070
     16.61262     17.81398     12.08737         0.026047      0.030600      0.029112
     16.91291     20.21306     12.37973        -0.017745      0.172886     -0.088147
     20.66669      0.32247     15.04665        -0.202269     -0.030122      0.138257
     16.96380      0.85550     12.83904        -0.026665     -0.083398     -0.092076
     16.97421      3.25336     13.33454         0.022457     -0.033448     -0.156462
      2.45966      6.69263     17.26946        -0.101566      0.072641      0.793727
      1.36114      4.68677     17.08837        -0.172630      0.017111      0.023316
     19.25926      7.08784     15.99472        -0.496409      0.088423      0.400971
      4.52648     10.03719     20.22710         0.316996     -0.066888     -0.239573
      0.16498     10.73868     18.29555        -0.368540     -0.169281     -0.155108
      1.29952     12.56245     18.85767         0.620315     -0.569254      0.584199
      0.71413     21.16076     13.30582         0.114078      0.247824     -0.176931
      3.68391     17.79155     15.47917        -0.178583      0.051786      0.073269
      4.17543     20.15988     15.73658        -0.267344      0.153626      0.284541
      0.94654      1.81769     13.67968         0.217020     -0.011827     -0.187957
      4.23477      0.84530     16.33081        -0.510211     -0.084160      0.403114
      4.64341      3.23196     16.72266        -0.189028      0.005043      0.537984
     20.04470      8.87329     13.81286         0.244371      0.007148      0.084526
     20.83650      6.78158     13.81004         0.680360     -0.058527     -0.191862
      3.05457      8.15761     15.91893         0.609656      0.198997     -0.465037
     18.26214     13.11717     13.41650        -0.478533     -0.047781      0.199697
      1.36663     12.57774     15.28337        -0.262097     -0.242530     -0.217666
      0.55828     14.61565     15.31995        -0.529456      0.027500     -0.007630
     17.78135      2.62468      7.17939        -0.211585     -0.040861      0.219495
     14.58137      0.88004      3.75931         0.245939      0.199052     -0.029174
     14.63731      3.28640      4.27385         0.117521      0.259843     -0.061434
     17.89122      4.72248      7.46892        -0.152783     -0.064825      0.135304
     14.69127      5.20335      4.56990        -0.028818     -0.242077     -0.080057
     14.66103      7.60392      4.96506         0.094331     -0.121839     -0.064145
     20.34176     10.82683     10.59817        -0.025709      0.326573      0.272407
     19.33741      9.04569      9.78080        -0.242525     -0.094049     -0.083127
     16.68947     11.63670      7.57868        -0.118579     -0.026239      0.196051
      1.21427     14.43003     12.78635         0.353913     -0.245459     -0.215856
     18.36631     15.19836     10.35174         0.134780     -0.118298      0.345582
     19.47315     17.01934     11.11331         0.614599     -0.224540      0.250555
     19.34881      4.42156      5.25785         0.162833     -0.068870      0.093578
     21.19339      0.67225      8.03395         0.080493      0.116410     -0.063302
      0.14765      2.98390      8.82126        -0.054471      0.184220      0.283883
     19.71443      6.16964      5.71970        -0.180438      0.004911     -0.087000
      0.18628      4.98376      9.49823        -0.352641     -0.415182      0.267249
      0.68148      7.30142     10.03332         0.085295     -0.066876      0.348891
     18.48550     13.32075      4.91480         0.128978      0.161463      0.179893
     19.03253     11.18803      5.23486         0.229103     -0.097930      0.255005
      0.21590     12.33566      8.60286         0.402044      0.076522     -0.079355
     17.09562     17.70772      4.14741         0.033695      0.234218     -0.249678
     20.10988     16.83915      7.79907         0.223045     -0.241869     -0.141889
     19.26893     18.88691      7.66503        -0.193934      0.088524      0.016044
     13.99799     19.34153     10.72915        -0.104551     -0.347802     -0.148838
     18.79776     21.00493      3.74483        -0.191238     -0.554269     -0.681223
     12.61393      1.22164      2.68534         0.193221     -0.606198      0.030447
     13.56809     11.59469      4.44218         0.147890      1.140604     -0.025749
      9.70891      2.65221      2.83732        -0.198875     -0.464495     -0.343558
     10.61848     12.67033      5.33641        -0.203682      0.430534      0.650530
      9.76117      5.21816     15.88232         0.038049     -0.384108      0.462060
     10.59453     15.62637     17.82595         0.161684      0.910057     -0.311312
      6.97983      6.45433     15.52817         0.102121      0.000439     -0.720020
      7.55145     16.59359     18.33928        -0.270988      0.560117     -0.061456
      6.58501      8.98389      7.42722         0.219047     -0.867182      0.137922
      7.47186     19.37714      9.04332         0.177339      0.823826      0.653140
      3.50008     10.19882      8.92521        -0.183539     -0.647895     -0.528551
      4.30505     20.47719     10.58969        -0.116934      1.173088     -0.161268
      2.13216     12.39299      1.62784        -0.205415      0.018580      0.538783
      1.28037      1.69651      3.37279         0.065072      0.423875      0.513993
      3.71199     12.74881     20.28991        -0.709585      0.249995     -0.795519
      4.16166      1.87413      2.17745        -0.150329      0.783581     -0.287075
     19.39777     15.45889     14.27494        -0.864569     -0.465066     -0.065622
     20.08231      4.45434     15.95326         0.160918      0.813274      0.290431
      0.68536     17.01956     12.58641         0.424401     -0.555133      0.366630
      2.07384      5.83331     14.61953         0.705383      0.566889      0.553461
     17.36421     19.85542      5.88584         0.345990     -0.650629      0.097184
     17.39333      8.92067      7.87808         0.107683      0.692489      0.648248
     19.31752      0.40817      4.28354         0.532156      0.773076      0.588297
     20.60860     10.06284      7.15614         0.425037      1.048126      0.382055
     12.22265      2.29988      4.78344         0.502548      0.111171     -1.315083
     13.18354      0.95669      0.41126         0.093080      0.845925      0.789532
     13.13613      9.93212      6.05970         0.022260     -0.049649     -0.970386
     13.73805     12.65222      2.31854         0.006875     -1.447172      0.807540
      9.94178      4.49494      1.35789        -0.321171     -0.156857      0.911764
      9.35747      1.44502      4.82491        -0.143239     -0.328028      0.568222
     10.71095     11.62781      3.20448        -0.516775     -0.189107      1.860608
     10.26736     12.92105      7.68309        -0.043168     -0.789191     -0.911158
      9.58582      6.34880     18.00576         0.621856     -0.006341     -1.747173
     10.33364      4.89107     13.59220        -0.401080      2.255495      2.673199
     10.20868     13.92798     19.41121         0.297974     -0.210301     -0.669433
     10.85544     16.69255     15.73744         0.135550     -0.891282      0.213541
      7.28277      8.32644     14.06698        -0.427451     -0.528268      1.539177
      6.67743      5.21193     17.50182         0.042270      0.879701      0.031007
      7.94783     15.69868     16.15816        -0.786928     -0.317218      1.708548
      7.10583     16.69583     20.66300         0.121175     -0.868151     -1.169094
      6.46372     10.12637      9.52282         0.291697      0.022913     -0.872317
      7.07549      8.60032      5.16051        -0.002790      0.451196      0.170035
      6.94927     17.71044     10.67106         0.502128      0.137539     -0.967620
      8.05325     20.37115      6.99261        -0.364190     -0.667598      0.086758
      3.06992     11.97164      7.40039         0.244367     -0.083110      0.653679
      3.99850      9.05902     10.93957        -0.147199      0.950786     -0.254681
      4.23833     19.32787      8.49429        -0.211809      0.065710     -0.022476
      4.47923     20.71159     12.91997         0.096291      3.001801      4.061348
      2.98706     13.36470      3.64981        -0.627126      0.295353     -1.164865
      0.56480     12.19427     21.12630         0.179696      0.835407      0.801036
      2.15837      0.13662      4.98262        -0.362189      0.074132     -0.895892
      0.35897      2.55512      1.40406        -0.147508     -0.642333      0.058564
      2.70947     14.54971     19.04048         1.044472     -0.406252      1.122185
      5.00827     11.64763      0.61863        -0.084771      0.752826     -0.018795
      2.96082      1.10301      0.26304         0.726711     -0.309340      0.668680
      5.73030      1.88520      3.92728         0.043251     -0.350156     -0.060353
     -0.21671     16.67187     15.47429        -1.214194      0.103304     -0.475552
     17.45177     15.04016     12.96270         0.688020      1.107893      0.859208
      0.30758      2.73938     16.66329        -1.318783      0.369171     -0.639410
     18.38147      5.55952     14.70870         0.246463     -0.670492      0.228807
     20.86631     18.88375     11.68123         0.579714      0.230159      0.299258
      2.15904     15.73597     13.94413        -0.233262      1.400013     -0.399392
      0.33190      4.74525     13.41347         2.202385     -0.237220      0.934414
      3.94986      6.00401     16.06339         1.806239      1.551887      0.935261
     18.34495     20.92220      7.79727        -0.679157      0.081058     -1.018261
     15.86800     19.47255      4.09590         0.306671      0.878487      0.605785
     18.43201      7.18161      9.15527        -0.583474      0.103046     -0.470589
     15.84945      9.96624      6.44981         0.397269     -0.633366     -0.084393
     18.31426      2.31746      3.39527         0.442808      0.107804      0.332109
     20.51816     20.12292      5.56190        -0.269214      1.108332      0.110988
     19.39771      9.14043      5.34580        -0.240320      0.032615     -0.329681
      0.65499     10.12315      9.12800         0.433828      0.322368      0.374295
     13.72941     17.59783      5.30157         0.232573     -0.247376      0.156854
     15.67003     16.72589      5.56690         0.686916     -0.208956      0.228393
     14.53988     16.41749      3.72157         0.309080     -0.459899      0.084167
     11.96910     15.24532     11.35448         0.129887      0.143170     -0.333339
     11.46045     14.57799      9.34662        -0.375324      0.000099      0.073679
     13.34974     13.95460     10.28315         0.188653     -0.258923      0.459240
     11.88885     18.18510      7.21860         0.610318     -0.079995      0.181002
      9.96814     18.39643      6.34734        -0.138396      0.193511     -0.040373
     10.35736     16.81425      7.84109        -0.076832      0.149964     -0.409427
     13.02395     18.32223      0.08035         0.037942     -0.088949      0.610680
     13.93224     16.85600      1.43772        -0.174506      0.739238     -0.026957
     11.83539     16.71291      0.96253         0.216599      0.565567     -0.170550
     10.22223      0.33087     18.63797         0.398667     -0.034314      0.018174
     12.32494     -0.13600     18.83083         0.538123     -0.302464      0.221659
     11.24526     20.62761     17.02252         0.531571     -0.675033      0.187788
      9.10288     19.25306      3.57856        -0.459898      0.095680     -0.237517
      8.10231     18.59426      1.73473        -0.791946      0.081460     -0.242725
     10.12343     18.01595      2.15647        -0.521293     -0.050588      0.203593
      8.07543      0.77267     20.40865         0.296459      0.215484      0.247974
      6.34623      1.15235     19.17675        -0.495788     -0.082595     -0.164426
      6.33735     20.80442     20.68937        -0.088185      0.014528     -0.389355
      9.21525      0.95782     13.32104         1.303160      0.369139      0.069703
     10.60040     21.04366     14.65966        -0.296635      1.092068     -0.507511
      8.57321     20.40830     14.26154         0.477613      1.227744      0.431308
      7.74323      4.07199      9.87628         0.179575      0.138783     -0.152778
      9.69349      3.33694     10.41150         0.705482     -0.161370      0.312653
      8.81179      2.85026      8.48025         0.385988     -0.311188      0.307642
      6.09282      1.81874     16.07024         0.175229     -0.338658      0.439594
      5.03130      1.59229     14.13050        -0.584906     -0.442279     -0.082412
      6.78371      0.52303     14.54503         0.967795     -1.685193      0.506541
      5.64311      4.94213     11.92385         0.042622      0.335997      0.220340
      3.51457      4.94073     11.84030        -0.564332     -0.100286     -0.578947
      4.46604      3.46528     12.96940         0.233617     -0.140460     -0.330079
      7.03210      4.42891      5.10221        -0.195626      0.178553      0.534542
      7.16875      2.94705      6.64279         0.109140     -0.036803      0.204327
      5.20790      3.53245      5.95731        -0.167928     -0.034207     -0.217593
     -0.17457      7.30136      4.51292        -0.538298     -0.048834      0.262713
      1.63425      7.60539      3.46969        -0.465971     -0.466805     -0.046961
      0.03842      6.40964      2.58723        -0.260705     -0.491065      0.489547
      3.42628      5.48265      9.69261        -0.106682      0.123001      0.781785
      1.96743      4.42355      8.61552        -0.593600     -0.172003      0.373904
      3.89738      4.62911      7.72144        -0.505614      0.425159      0.123628
      5.84062      7.15313      3.48294         0.297655     -0.227216     -0.111391
      4.00564      7.40354      4.65647        -0.040572      0.065616     -0.371329
      5.13201      5.71258      5.01870         0.273631     -0.116144      0.007482
      0.97870      8.18701     20.22993        -0.549208      0.365801      0.583486
      2.63532      6.91041     -0.40452        -0.524580      0.367461     -0.681952
      0.63892      6.81810      0.49477        -0.274040     -0.097730      0.272598
     19.62715      9.51168     18.68321        -0.184010      0.009336      0.924377
     20.27692     10.41171     16.83935        -0.064913      0.479382     -0.219239
     18.63454      9.04191     16.82702        -0.965113     -0.285313     -0.212884
      4.79856      7.86259     19.95811        -0.035257     -0.056159     -0.348388
      3.38519      6.58754     18.86680         1.248843      1.071989      0.359808
      4.57682      7.91017     17.70463         0.333037      0.600636      0.132930
      3.22213     11.50823     14.90174         0.413869     -0.060670     -0.566801
      1.98794     11.58536     16.63829         0.088663      0.402757      0.564037
      3.65711     10.22259     16.61528        -0.103479     -0.029624     -0.830169
     17.46380     11.19985     13.03882         0.373335     -0.016614      0.274220
     19.04007      9.80584     12.52722        -0.015840      0.223089     -0.339910
     18.14423      9.69488     14.47669        -0.089728      0.367002      0.173415
     16.52262     14.32176      9.83436        -0.491743     -0.026094      0.341174
     18.06284     14.86353      8.40337        -0.166535     -0.064128      0.077510
     16.34605     13.75210      7.72308         0.000114     -0.184626      0.222209
      1.50062     12.36580     12.73914         0.062590      0.069143     -0.366916
     21.05156     11.15898     12.18149         0.654304     -0.097109      0.004616
      1.15073     11.86609     10.66050         0.205162      0.337985     -0.175148
      0.87131     15.78847      7.46883         0.462351     -0.059739     -0.506455
     20.64087     15.72700      9.01296         0.046731      0.076276      0.195316
      1.02831     14.37245      9.13240         0.135059     -0.246764     -0.538546
     17.02750     15.86727      3.00818         0.430930     -0.048786      0.172355
     18.77366     14.60597      3.38667         0.200194     -0.029165     -0.636627
     16.91696     14.31191      4.52721        -0.321517      0.095236     -0.091100
 -----------------------------------------------------------------------------------
    total drift:                                0.008109      0.002232      0.001664


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4544.5624531961 eV

  energy  without entropy=    -4544.7172219721  energy(sigma->0) =    -4544.61404279
 
 d Force = 0.1306799E-01[-0.543E-03, 0.267E-01]  d Energy = 0.1307167E-01-0.368E-05
 d Force = 0.1600790E+03[ 0.160E+03, 0.160E+03]  d Ewald  = 0.1600790E+03-0.341E-04


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   26(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3184
 total energy-change (2. order) : 0.2657006E+01  (-0.2512092E+03)
 number of electron    2498.0000137 magnetization 
 augmentation part      163.0147645 magnetization 

  free energy =  -0.454190544129E+04  energy without entropy=  -0.454205781501E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   26(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) :-0.6720999E+01  (-0.7692021E+01)
 number of electron    2498.0000138 magnetization 
 augmentation part      163.3186310 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7724
  0.7724

  free energy =  -0.454862644014E+04  energy without entropy=  -0.454877643692E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   26(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3736
 total energy-change (2. order) : 0.2604011E+00  (-0.1464150E+00)
 number of electron    2498.0000138 magnetization 
 augmentation part      163.0917216 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2841
  1.2841  1.2841

  free energy =  -0.454836603899E+04  energy without entropy=  -0.454851647638E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   26(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) : 0.4503394E-01  (-0.1172685E+00)
 number of electron    2498.0000137 magnetization 
 augmentation part      162.8992275 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2461
  2.0760  0.8312  0.8312

  free energy =  -0.454832100506E+04  energy without entropy=  -0.454847119238E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   26(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) :-0.2109802E-01  (-0.2488279E-01)
 number of electron    2498.0000137 magnetization 
 augmentation part      162.9068687 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3172
  2.3477  1.0105  1.0105  0.9001

  free energy =  -0.454834210308E+04  energy without entropy=  -0.454849209987E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   26(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3648
 total energy-change (2. order) : 0.1181354E-01  (-0.1425549E-01)
 number of electron    2498.0000137 magnetization 
 augmentation part      162.9208530 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2647
  2.3732  1.0506  1.0506  0.9244  0.9244

  free energy =  -0.454833028954E+04  energy without entropy=  -0.454848043997E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   26(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3600
 total energy-change (2. order) :-0.5967508E-03  (-0.2631793E-02)
 number of electron    2498.0000137 magnetization 
 augmentation part      162.9440562 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2484
  2.4135  1.0108  1.0108  1.1344  1.1344  0.7866

  free energy =  -0.454833088629E+04  energy without entropy=  -0.454848087455E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   26(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) : 0.5844577E-03  (-0.4364677E-03)
 number of electron    2498.0000137 magnetization 
 augmentation part      162.9519699 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2297
  2.4416  1.1971  1.1971  1.0719  1.0719  0.8634  0.7651

  free energy =  -0.454833030183E+04  energy without entropy=  -0.454848031710E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   26(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) :-0.1712567E-03  (-0.2928427E-03)
 number of electron    2498.0000137 magnetization 
 augmentation part      162.9452085 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2420
  2.5168  1.6256  1.0216  1.0216  1.1635  0.9583  0.9583  0.6706

  free energy =  -0.454833047309E+04  energy without entropy=  -0.454848042140E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   26(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) : 0.1136278E-04  (-0.3910693E-04)
 number of electron    2498.0000137 magnetization 
 augmentation part      162.9472567 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2624
  2.6298  1.9731  1.0674  1.0674  1.1706  1.0222  0.8911  0.8911  0.6487

  free energy =  -0.454833046173E+04  energy without entropy=  -0.454848043037E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   26(  11)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) :-0.8993901E-04  (-0.2850750E-04)
 number of electron    2498.0000137 magnetization 
 augmentation part      162.9465069 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2372
  2.6200  1.8640  1.0301  1.0301  1.3272  0.9470  0.9470  0.9793  0.9793  0.6476

  free energy =  -0.454833055167E+04  energy without entropy=  -0.454848049595E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   26(  12)  ---------------------------------------



 eigenvalue-minimisations  :  2624
 total energy-change (2. order) :-0.6251229E-04  (-0.2866596E-05)
 number of electron    2498.0000137 magnetization 
 augmentation part      162.9465941 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2783
  2.6740  2.2526  1.3897  1.3897  1.0471  1.0471  0.9084  0.9084  0.8917  0.8917
  0.6610

  free energy =  -0.454833061418E+04  energy without entropy=  -0.454848056567E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   26(  13)  ---------------------------------------



 eigenvalue-minimisations  :  2592
 total energy-change (2. order) :-0.9101801E-04  (-0.2008702E-05)
 number of electron    2498.0000137 magnetization 
 augmentation part      162.9468520 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3088
  2.9538  2.5018  1.4696  1.4696  1.0346  1.0346  0.9355  0.9355  0.9416  0.9416
  0.8277  0.6598

  free energy =  -0.454833070520E+04  energy without entropy=  -0.454848064019E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   26(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2288
 total energy-change (2. order) :-0.5646926E-04  (-0.1063923E-05)
 number of electron    2498.0000137 magnetization 
 augmentation part      162.9468553 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3586
  3.5732  2.5498  1.5111  1.5111  1.0462  1.0462  1.1521  1.1521  0.8964  0.8964
  0.8313  0.8313  0.6639

  free energy =  -0.454833076167E+04  energy without entropy=  -0.454848070333E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   26(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2296
 total energy-change (2. order) :-0.4304716E-04  (-0.7660019E-06)
 number of electron    2498.0000137 magnetization 
 augmentation part      162.9467394 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3761
  4.0003  2.5615  1.8092  1.0424  1.0424  1.0426  1.0426  1.1267  1.1062  1.1062
  0.9422  0.9422  0.6617  0.8398

  free energy =  -0.454833080471E+04  energy without entropy=  -0.454848073568E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   26(  16)  ---------------------------------------



 eigenvalue-minimisations  :  2264
 total energy-change (2. order) :-0.1698357E-04  (-0.2627685E-06)
 number of electron    2498.0000137 magnetization 
 augmentation part      162.9466923 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4097
  4.3225  2.5799  2.0474  1.0508  1.0508  1.2869  1.2869  1.2763  1.2763  0.9094
  0.9094  0.9010  0.9010  0.6732  0.6732

  free energy =  -0.454833082170E+04  energy without entropy=  -0.454848076133E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   26(  17)  ---------------------------------------



 eigenvalue-minimisations  :  2216
 total energy-change (2. order) :-0.1291663E-04  (-0.1487231E-06)
 number of electron    2498.0000137 magnetization 
 augmentation part      162.9466815 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4686
  5.0449  2.6620  2.3307  1.5009  1.5009  1.0496  1.0496  1.1859  1.1859  0.9306
  0.9306  0.9366  0.9366  0.8726  0.6612  0.7192

  free energy =  -0.454833083461E+04  energy without entropy=  -0.454848077072E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   26(  18)  ---------------------------------------



 eigenvalue-minimisations  :  2224
 total energy-change (2. order) :-0.8420495E-05  (-0.9931783E-07)
 number of electron    2498.0000137 magnetization 
 augmentation part      162.9466815 magnetization 

  free energy =  -0.454833084303E+04  energy without entropy=  -0.454848078073E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.9601       2 -56.1585       3 -56.0506       4 -55.7532       5 -55.7811
       6 -56.2781       7 -58.0552       8 -58.3044       9 -56.2672      10 -55.9931
      11 -56.0389      12 -55.7724      13 -55.7161      14 -55.9147      15 -58.0812
      16 -58.0896      17 -56.2628      18 -54.8772      19 -54.7059      20 -55.1493
      21 -55.6038      22 -55.5717      23 -55.6639      24 -55.6220      25 -55.0377
      26 -54.7208      27 -54.9027      28 -54.9977      29 -60.4121      30 -60.3699
      31 -55.6007      32 -55.8271      33 -55.7162      34 -55.2048      35 -55.4709
      36 -55.9548      37 -57.7926      38 -58.1159      39 -56.0558      40 -55.7899
      41 -55.9410      42 -55.6977      43 -55.7179      44 -55.8676      45 -58.1368
      46 -58.1795      47 -56.4683      48 -55.1145      49 -54.9034      50 -55.3026
      51 -55.8770      52 -55.7932      53 -55.7114      54 -55.7688      55 -55.1245
      56 -54.7552      57 -54.9294      58 -56.3192      59 -60.4208      60 -60.5909
      61 -55.9550      62 -56.0582      63 -55.9201      64 -55.7220      65 -55.7564
      66 -56.2108      67 -57.9376      68 -58.2544      69 -56.2068      70 -55.9156
      71 -56.0437      72 -55.7082      73 -55.6278      74 -55.8751      75 -58.0544
      76 -58.2367      77 -56.4411      78 -55.0324      79 -54.8558      80 -55.3305
      81 -55.7858      82 -55.7986      83 -55.7905      84 -55.8298      85 -55.0473
      86 -54.9306      87 -55.0649      88 -56.3825      89 -60.6540      90 -60.4396
      91 -55.6483      92 -55.7728      93 -55.6578      94 -55.3751      95 -55.4768
      96 -55.9582      97 -57.8775      98 -58.0271      99 -56.0629     100 -55.8632
     101 -55.9878     102 -55.5485     103 -55.5867     104 -55.8613     105 -58.1014
     106 -58.2397     107 -56.4366     108 -55.0243     109 -54.8742     110 -55.2989
     111 -55.7829     112 -55.7127     113 -55.7440     114 -55.8968     115 -55.2191
     116 -54.8843     117 -55.0213     118 -56.3821     119 -60.4797     120 -60.4478
     121 -55.8816     122 -55.9761     123 -55.8463     124 -55.7214     125 -55.7389
     126 -56.1262     127 -57.9877     128 -58.2057     129 -56.0230     130 -55.7238
     131 -55.8421     132 -55.5679     133 -55.4903     134 -55.7463     135 -57.8542
     136 -58.0905     137 -56.3183     138 -54.9488     139 -54.7938     140 -55.1908
     141 -55.7061     142 -55.8169     143 -55.7826     144 -55.7304     145 -55.1141
     146 -54.9091     147 -55.0746     148 -56.3720     149 -60.4861     150 -60.4695
     151 -55.5821     152 -55.6828     153 -55.5457     154 -55.3468     155 -55.4333
     156 -55.8669     157 -57.8541     158 -57.9492     159 -55.9632     160 -55.7347
     161 -55.9421     162 -55.5459     163 -55.5846     164 -55.8193     165 -58.0191
     166 -58.1815     167 -56.5050     168 -55.1327     169 -54.8862     170 -55.3281
     171 -55.9190     172 -55.9191     173 -55.8211     174 -55.6985     175 -55.1365
     176 -54.6424     177 -54.8795     178 -56.2378     179 -60.4433     180 -60.4981
     181 -55.8962     182 -56.1261     183 -55.9522     184 -55.6800     185 -55.6794
     186 -56.2209     187 -57.8916     188 -58.3392     189 -56.2109     190 -55.8546
     191 -56.0062     192 -55.7549     193 -55.6739     194 -55.8899     195 -58.0007
     196 -58.2769     197 -56.3697     198 -54.8997     199 -54.8093     200 -55.2285
     201 -55.7911     202 -55.8422     203 -55.8200     204 -55.7985     205 -55.1983
     206 -55.0315     207 -55.0736     208 -56.3904     209 -60.6621     210 -60.4249
     211 -55.9668     212 -56.1400     213 -55.9301     214 -55.7530     215 -55.7337
     216 -56.2296     217 -58.0912     218 -58.4040     219 -56.1325     220 -55.8040
     221 -55.9220     222 -55.6030     223 -55.4811     224 -55.7677     225 -57.8945
     226 -58.2101     227 -56.3343     228 -54.8865     229 -54.8775     230 -55.0572
     231 -55.6126     232 -55.8550     233 -55.9075     234 -55.5128     235 -55.1506
     236 -54.9263     237 -55.0906     238 -56.4011     239 -60.2658     240 -60.3258
     241 -55.8978     242 -55.9713     243 -55.8462     244 -55.6919     245 -55.7344
     246 -56.1507     247 -58.0798     248 -58.1249     249 -56.1843     250 -55.8945
     251 -56.0306     252 -55.7350     253 -55.7329     254 -55.9311     255 -58.0444
     256 -58.1318     257 -56.3906     258 -55.0760     259 -54.8428     260 -55.1930
     261 -55.7507     262 -55.8115     263 -55.8694     264 -55.8682     265 -55.3996
     266 -54.9106     267 -55.1551     268 -56.4447     269 -60.5198     270 -60.3276
     271 -55.8251     272 -55.9099     273 -55.7194     274 -55.6665     275 -55.6515
     276 -55.9981     277 -58.1434     278 -58.1322     279 -55.7573     280 -55.5946
     281 -55.6942     282 -55.3498     283 -55.2580     284 -55.6244     285 -57.9378
     286 -58.0280     287 -56.5555     288 -55.0919     289 -54.9169     290 -55.4061
     291 -55.8239     292 -55.7994     293 -55.7753     294 -55.7736     295 -55.1113
     296 -54.7905     297 -54.9053     298 -56.3397     299 -60.4332     300 -60.5445
     301 -55.8387     302 -55.9827     303 -55.8259     304 -55.5536     305 -55.6056
     306 -56.0779     307 -58.0552     308 -58.2500     309 -56.1221     310 -55.8019
     311 -55.9678     312 -55.6610     313 -55.6199     314 -55.8556     315 -57.9439
     316 -58.1603     317 -56.3433     318 -54.9380     319 -54.7975     320 -55.1709
     321 -55.7173     322 -55.7760     323 -55.8041     324 -55.7964     325 -55.1078
     326 -54.9987     327 -55.1319     328 -56.4323     329 -60.5097     330 -60.3155
     331 -55.7480     332 -55.7873     333 -55.6344     334 -55.5791     335 -55.5673
     336 -55.9676     337 -57.9381     338 -57.9311     339 -55.8025     340 -55.5290
     341 -55.6779     342 -55.4084     343 -55.4105     344 -55.6261     345 -57.8904
     346 -57.9108     347 -56.3472     348 -54.8622     349 -54.7737     350 -55.2632
     351 -55.7100     352 -55.7441     353 -55.6842     354 -55.5828     355 -55.0798
     356 -54.6503     357 -54.8448     358 -56.2562     359 -60.3392     360 -60.4379
     361 -39.1463     362 -38.8213     363 -38.9775     364 -39.1449     365 -38.9921
     366 -38.8445     367 -38.2438     368 -38.0495     369 -38.1452     370 -38.1825
     371 -38.1767     372 -38.1491     373 -38.9354     374 -38.4230     375 -38.6886
     376 -38.9083     377 -38.8904     378 -38.8889     379 -38.2467     380 -38.1475
     381 -38.2131     382 -38.0105     383 -38.1759     384 -37.9827     385 -38.9895
     386 -38.7253     387 -38.8617     388 -38.9990     389 -38.8765     390 -38.6601
     391 -38.3213     392 -38.1277     393 -38.2556     394 -37.9802     395 -38.2528
     396 -38.1924     397 -38.8344     398 -38.3962     399 -38.6907     400 -38.9185
     401 -38.6627     402 -38.8176     403 -38.2001     404 -38.0763     405 -38.2611
     406 -38.1048     407 -38.0448     408 -37.9433     409 -38.8689     410 -38.7993
     411 -38.9559     412 -38.8167     413 -38.8334     414 -38.5779     415 -38.1909
     416 -38.1384     417 -38.0043     418 -38.1331     419 -38.1953     420 -38.1414
     421 -38.6700     422 -38.3909     423 -38.5673     424 -38.7662     425 -38.6926
     426 -38.7426     427 -38.1723     428 -38.0541     429 -38.2796     430 -38.0976
     431 -38.1262     432 -37.9450     433 -38.9811     434 -38.6721     435 -39.0146
     436 -38.8878     437 -38.9965     438 -38.7000     439 -38.4539     440 -37.9974
     441 -38.1529     442 -38.1629     443 -38.3753     444 -38.0992     445 -38.9584
     446 -38.8620     447 -38.8748     448 -38.8399     449 -38.7284     450 -38.3826
     451 -38.1128     452 -37.8364     453 -38.0842     454 -38.0659     455 -38.0920
     456 -38.1574     457 -38.9184     458 -38.7878     459 -38.8986     460 -39.0007
     461 -38.9113     462 -38.7768     463 -38.0927     464 -38.1699     465 -38.1626
     466 -38.4895     467 -38.1770     468 -38.0866     469 -38.9682     470 -38.9558
     471 -38.7306     472 -38.7656     473 -38.5194     474 -38.3150     475 -38.2619
     476 -38.0751     477 -38.3109     478 -38.0200     479 -38.2110     480 -37.9574
     481 -38.9285     482 -38.7305     483 -38.8358     484 -38.9209     485 -38.8633
     486 -38.7970     487 -38.2326     488 -38.0882     489 -38.0305     490 -38.1517
     491 -38.2113     492 -38.2547     493 -38.8288     494 -38.6197     495 -38.6517
     496 -38.7428     497 -38.6116     498 -38.5024     499 -38.0922     500 -37.8677
     501 -38.1884     502 -38.0266     503 -38.0613     504 -37.8451     505 -38.2455
     506 -41.0029     507 -71.5276     508 -71.3610     509 -71.3934     510 -71.5377
     511 -71.3726     512 -71.4869     513 -71.3372     514 -71.5091     515 -71.4251
     516 -71.2519     517 -71.2684     518 -71.5770     519 -71.3949     520 -71.4781
     521 -71.4923     522 -71.3908     523 -71.4697     524 -71.3744     525 -71.4682
     526 -71.4485     527 -71.4555     528 -71.3517     529 -71.0129     530 -71.3346
     531 -76.9752     532 -76.8046     533 -76.8183     534 -76.9739     535 -76.8582
     536 -76.5215     537 -76.8080     538 -76.9825     539 -77.0345     540 -76.4810
     541 -76.9358     542 -76.8476     543 -76.7405     544 -76.6973     545 -76.9018
     546 -76.9060     547 -76.9681     548 -76.7600     549 -76.9534     550 -76.5823
     551 -76.7262     552 -76.6433     553 -76.7692     554 -76.6355     555 -77.1761
     556 -76.6279     557 -77.1102     558 -76.7816     559 -77.1767     560 -76.8496
     561 -76.9680     562 -76.6057     563 -76.7361     564 -76.9149     565 -76.8438
     566 -76.8028     567 -76.8275     568 -77.0827     569 -76.6663     570 -76.5634
     571 -77.0019     572 -76.8391     573 -76.9350     574 -76.7036     575 -76.6587
     576 -76.7134     577 -76.5590     578 -76.6758     579 -82.3399     580 -82.3848
     581 -82.5205     582 -82.3377     583 -82.3501     584 -82.3499     585 -82.4913
     586 -82.5088     587 -82.4706     588 -82.2144     589 -82.1593     590 -82.3764
     591 -82.4262     592 -82.3011     593 -82.4775     594 -82.5039     595 -82.5365
     596 -82.7627     597 -82.4300     598 -82.3469     599 -82.3965     600 -82.4326
     601 -82.2921     602 -81.6913     603 -82.5169     604 -82.3977     605 -82.7082
     606 -82.2189     607 -82.3380     608 -82.8440     609 -82.6056     610 -82.0383
     611 -82.4489     612 -82.3157     613 -82.2263     614 -82.3800     615 -82.4209
     616 -82.4737     617 -82.4700     618 -82.6971     619 -82.7412     620 -82.6744
     621 -82.2549     622 -82.2744     623 -82.6834     624 -82.3267     625 -82.5513
     626 -82.1015     627 -82.0818     628 -82.3375     629 -82.4231     630 -82.3730
     631 -82.4014     632 -82.3486     633 -82.3270     634 -82.6737     635 -82.4270
     636 -82.2376     637 -82.4031     638 -82.3039     639 -82.2762     640 -82.2121
     641 -82.2832     642 -82.2852     643 -82.6644     644 -82.4438     645 -82.3421
     646 -82.4543     647 -82.4511     648 -82.3032     649 -82.2666     650 -82.2703
 
 
 
 E-fermi :  -1.3358     XC(G=0):  -6.4127     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.2626      2.00000
      2     -29.1848      2.00000
      3     -29.1512      2.00000
      4     -29.1318      2.00000
      5     -29.0861      2.00000
      6     -29.0766      2.00000
      7     -29.0546      2.00000
      8     -29.0175      2.00000
      9     -29.0125      2.00000
     10     -29.0092      2.00000
     11     -29.0002      2.00000
     12     -28.9714      2.00000
     13     -28.9278      2.00000
     14     -28.9053      2.00000
     15     -28.8140      2.00000
     16     -28.7982      2.00000
     17     -28.7790      2.00000
     18     -28.7775      2.00000
     19     -28.7442      2.00000
     20     -28.7157      2.00000
     21     -28.7084      2.00000
     22     -28.6835      2.00000
     23     -28.6516      2.00000
     24     -28.3213      2.00000
     25     -26.9935      2.00000
     26     -26.8942      2.00000
     27     -26.8353      2.00000
     28     -26.7701      2.00000
     29     -26.7490      2.00000
     30     -26.7428      2.00000
     31     -26.7271      2.00000
     32     -26.7244      2.00000
     33     -26.7159      2.00000
     34     -26.7080      2.00000
     35     -26.6940      2.00000
     36     -26.6821      2.00000
     37     -26.6056      2.00000
     38     -26.5686      2.00000
     39     -26.5618      2.00000
     40     -26.5186      2.00000
     41     -26.5183      2.00000
     42     -26.5136      2.00000
     43     -26.5077      2.00000
     44     -26.5058      2.00000
     45     -26.5039      2.00000
     46     -26.5006      2.00000
     47     -26.4530      2.00000
     48     -26.4494      2.00000
     49     -26.4399      2.00000
     50     -26.4325      2.00000
     51     -26.4279      2.00000
     52     -26.4264      2.00000
     53     -26.4190      2.00000
     54     -26.4076      2.00000
     55     -26.4036      2.00000
     56     -26.3880      2.00000
     57     -26.3820      2.00000
     58     -26.3785      2.00000
     59     -26.3737      2.00000
     60     -26.3530      2.00000
     61     -26.3509      2.00000
     62     -26.3456      2.00000
     63     -26.3269      2.00000
     64     -26.3246      2.00000
     65     -26.2989      2.00000
     66     -26.2504      2.00000
     67     -26.2216      2.00000
     68     -26.2126      2.00000
     69     -26.1902      2.00000
     70     -26.1810      2.00000
     71     -26.0425      2.00000
     72     -25.5643      2.00000
     73     -23.6027      2.00000
     74     -23.5777      2.00000
     75     -23.4851      2.00000
     76     -23.4362      2.00000
     77     -23.4271      2.00000
     78     -23.3889      2.00000
     79     -23.3863      2.00000
     80     -23.3487      2.00000
     81     -23.3182      2.00000
     82     -23.2941      2.00000
     83     -23.2775      2.00000
     84     -23.2726      2.00000
     85     -23.2602      2.00000
     86     -23.2590      2.00000
     87     -23.2515      2.00000
     88     -23.2071      2.00000
     89     -23.1566      2.00000
     90     -23.1496      2.00000
     91     -23.1336      2.00000
     92     -23.1231      2.00000
     93     -23.0760      2.00000
     94     -23.0488      2.00000
     95     -23.0472      2.00000
     96     -23.0362      2.00000
     97     -22.9932      2.00000
     98     -22.9897      2.00000
     99     -22.9696      2.00000
    100     -22.9571      2.00000
    101     -22.9402      2.00000
    102     -22.8902      2.00000
    103     -22.8901      2.00000
    104     -22.8535      2.00000
    105     -22.8478      2.00000
    106     -22.8294      2.00000
    107     -22.7979      2.00000
    108     -22.7668      2.00000
    109     -22.7631      2.00000
    110     -22.7487      2.00000
    111     -22.7437      2.00000
    112     -22.7399      2.00000
    113     -22.7208      2.00000
    114     -22.7191      2.00000
    115     -22.7092      2.00000
    116     -22.6591      2.00000
    117     -22.6283      2.00000
    118     -22.4212      2.00000
    119     -22.3775      2.00000
    120     -22.3598      2.00000
    121     -20.3465      2.00000
    122     -20.3160      2.00000
    123     -20.3107      2.00000
    124     -20.3067      2.00000
    125     -20.2645      2.00000
    126     -20.2329      2.00000
    127     -20.2198      2.00000
    128     -20.2011      2.00000
    129     -20.1704      2.00000
    130     -20.1687      2.00000
    131     -20.1659      2.00000
    132     -20.1569      2.00000
    133     -20.1448      2.00000
    134     -20.1260      2.00000
    135     -20.1078      2.00000
    136     -20.1031      2.00000
    137     -20.0673      2.00000
    138     -20.0446      2.00000
    139     -20.0332      2.00000
    140     -20.0233      2.00000
    141     -20.0127      2.00000
    142     -20.0000      2.00000
    143     -19.9429      2.00000
    144     -19.8751      2.00000
    145     -18.5808      2.00000
    146     -18.5382      2.00000
    147     -18.4798      2.00000
    148     -18.4727      2.00000
    149     -18.4663      2.00000
    150     -18.4500      2.00000
    151     -18.4297      2.00000
    152     -18.4046      2.00000
    153     -18.3868      2.00000
    154     -18.3500      2.00000
    155     -18.3447      2.00000
    156     -18.2947      2.00000
    157     -18.2391      2.00000
    158     -18.1942      2.00000
    159     -18.1721      2.00000
    160     -18.1572      2.00000
    161     -18.1517      2.00000
    162     -18.1283      2.00000
    163     -18.1164      2.00000
    164     -18.0866      2.00000
    165     -18.0644      2.00000
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    167     -18.0055      2.00000
    168     -17.9717      2.00000
    169     -17.9674      2.00000
    170     -17.9235      2.00000
    171     -17.9163      2.00000
    172     -17.9050      2.00000
    173     -17.8337      2.00000
    174     -17.8189      2.00000
    175     -17.7896      2.00000
    176     -17.7659      2.00000
    177     -17.7446      2.00000
    178     -17.7210      2.00000
    179     -17.6956      2.00000
    180     -17.6682      2.00000
    181     -17.5757      2.00000
    182     -17.5155      2.00000
    183     -17.4925      2.00000
    184     -17.4900      2.00000
    185     -17.4857      2.00000
    186     -17.4686      2.00000
    187     -17.4671      2.00000
    188     -17.4481      2.00000
    189     -17.4447      2.00000
    190     -17.4327      2.00000
    191     -17.4037      2.00000
    192     -17.3934      2.00000
    193     -16.6854      2.00000
    194     -16.6812      2.00000
    195     -16.6162      2.00000
    196     -16.6056      2.00000
    197     -16.5617      2.00000
    198     -16.5556      2.00000
    199     -16.5461      2.00000
    200     -16.4988      2.00000
    201     -16.4831      2.00000
    202     -16.4368      2.00000
    203     -16.4210      2.00000
    204     -16.4025      2.00000
    205     -16.1211      2.00000
    206     -16.1177      2.00000
    207     -16.0877      2.00000
    208     -16.0577      2.00000
    209     -16.0195      2.00000
    210     -16.0022      2.00000
    211     -15.9910      2.00000
    212     -15.9270      2.00000
    213     -15.9181      2.00000
    214     -15.8898      2.00000
    215     -15.8364      2.00000
    216     -15.7654      2.00000
    217     -15.7270      2.00000
    218     -15.7198      2.00000
    219     -15.6804      2.00000
    220     -15.6555      2.00000
    221     -15.6286      2.00000
    222     -15.6172      2.00000
    223     -15.6004      2.00000
    224     -15.5894      2.00000
    225     -15.5643      2.00000
    226     -15.5514      2.00000
    227     -15.5212      2.00000
    228     -15.5176      2.00000
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    230     -15.4593      2.00000
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    232     -15.4330      2.00000
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    235     -15.4119      2.00000
    236     -15.4073      2.00000
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    238     -15.3788      2.00000
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    240     -15.3545      2.00000
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    256     -15.1806      2.00000
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    262     -15.1044      2.00000
    263     -15.0990      2.00000
    264     -15.0780      2.00000
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    268     -15.0350      2.00000
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    288     -14.2115      2.00000
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   1506       5.6738      0.00000
   1507       5.6826      0.00000
   1508       5.6895      0.00000
   1509       5.6972      0.00000
   1510       5.7108      0.00000
   1511       5.7185      0.00000
   1512       5.7314      0.00000
   1513       5.7376      0.00000
   1514       5.7541      0.00000
   1515       5.7598      0.00000
   1516       5.7705      0.00000
   1517       5.7776      0.00000
   1518       5.7840      0.00000
   1519       5.7935      0.00000
   1520       5.7995      0.00000
   1521       5.8120      0.00000
   1522       5.8310      0.00000
   1523       5.8375      0.00000
   1524       5.8396      0.00000
   1525       5.8414      0.00000
   1526       5.8545      0.00000
   1527       5.8599      0.00000
   1528       5.8709      0.00000
   1529       5.8879      0.00000
   1530       5.8924      0.00000
   1531       5.9038      0.00000
   1532       5.9076      0.00000
   1533       5.9172      0.00000
   1534       5.9225      0.00000
   1535       5.9276      0.00000
   1536       5.9385      0.00000
   1537       5.9578      0.00000
   1538       5.9626      0.00000
   1539       5.9701      0.00000
   1540       5.9780      0.00000
   1541       5.9908      0.00000
   1542       5.9971      0.00000
   1543       6.0070      0.00000
   1544       6.0107      0.00000
   1545       6.0335      0.00000
   1546       6.0428      0.00000
   1547       6.0489      0.00000
   1548       6.0517      0.00000
   1549       6.0596      0.00000
   1550       6.0686      0.00000
   1551       6.0856      0.00000
   1552       6.0866      0.00000
   1553       6.0918      0.00000
   1554       6.1046      0.00000
   1555       6.1152      0.00000
   1556       6.1241      0.00000
   1557       6.1248      0.00000
   1558       6.1338      0.00000
   1559       6.1399      0.00000
   1560       6.1519      0.00000
   1561       6.1548      0.00000
   1562       6.1756      0.00000
   1563       6.1847      0.00000
   1564       6.1877      0.00000
   1565       6.2011      0.00000
   1566       6.2091      0.00000
   1567       6.2169      0.00000
   1568       6.2217      0.00000
   1569       6.2254      0.00000
   1570       6.2389      0.00000
   1571       6.2437      0.00000
   1572       6.2621      0.00000
   1573       6.2752      0.00000
   1574       6.2898      0.00000
   1575       6.2989      0.00000
   1576       6.3063      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.082  13.404  -0.001   0.001  -0.000   0.001  -0.004   0.001
 13.404  17.820  -0.001   0.001  -0.000   0.001  -0.005   0.001
 -0.001  -0.001  -4.229   0.002   0.000   8.272  -0.004  -0.000
  0.001   0.001   0.002  -4.229   0.001  -0.004   8.272  -0.001
 -0.000  -0.000   0.000   0.001  -4.222  -0.000  -0.001   8.264
  0.001   0.001   8.272  -0.004  -0.000 -18.311   0.006   0.000
 -0.004  -0.005  -0.004   8.272  -0.001   0.006 -18.308   0.001
  0.001   0.001  -0.000  -0.001   8.264   0.000   0.001 -18.303
 total augmentation occupancy for first ion, spin component:           1
  8.307  -3.722   0.193   0.094  -0.057   0.025   0.018  -0.009
 -3.722   1.743  -0.104  -0.069   0.035  -0.011  -0.011   0.005
  0.193  -0.104   1.763  -0.066  -0.024   0.165  -0.011  -0.004
  0.094  -0.069  -0.066   1.885  -0.067  -0.011   0.176  -0.009
 -0.057   0.035  -0.024  -0.067   1.209  -0.004  -0.009   0.078
  0.025  -0.011   0.165  -0.011  -0.004   0.017  -0.001  -0.001
  0.018  -0.011  -0.011   0.176  -0.009  -0.001   0.018  -0.001
 -0.009   0.005  -0.004  -0.009   0.078  -0.001  -0.001   0.005


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -55327.48252110513.46692 35317.71592-12819.49834  6484.67649 25956.75330
  Hartree   -92.83572137622.83951 73497.51644-13154.91159  4483.21835 20434.91622
  E(xc)  -10740.87240-10600.04334-10641.36155     2.49230     7.98150    30.16555
  Local   22042.01058************************ 25963.93746-11012.52575-45837.14191
  n-local -5858.12110 -5977.73736 -6036.29841     6.42411    16.33116   -56.44096
  augment  1492.03267  1537.68888  1488.37326     4.15834    12.94692    -1.65980
  Kinetic 45582.89299 43252.65820 43764.67708   -33.69958   -79.93529  -543.74679
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total        5.4832150   -417.5705873    -65.2279141    -31.0972985    -87.3066252    -17.1543906
  in kB        0.9143700    -69.6332378    -10.8772768     -5.1857234    -14.5590786     -2.8606319
  external PRESSURE =     -26.5320482 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.288E+03 -.119E+03 0.248E+03   0.288E+03 0.120E+03 -.249E+03   -.216E+00 -.339E+00 0.134E+01   0.106E-04 -.477E-04 -.374E-04
   -.247E+03 -.142E+03 0.491E+02   0.247E+03 0.143E+03 -.489E+02   -.231E-01 -.128E+01 -.459E+00   -.140E-05 -.134E-04 0.115E-04
   -.208E+03 -.130E+03 0.266E+01   0.207E+03 0.131E+03 -.123E+01   0.452E+00 -.174E+01 -.182E+01   -.118E-04 -.200E-04 0.372E-04
   -.258E+03 -.109E+03 0.353E+03   0.258E+03 0.109E+03 -.355E+03   0.136E+00 -.103E-01 0.245E+01   -.178E-05 -.544E-04 -.289E-04
   -.215E+03 -.155E+03 0.315E+03   0.215E+03 0.156E+03 -.316E+03   0.139E+00 -.973E+00 0.979E+00   -.742E-04 -.664E-04 -.112E-04
   -.189E+03 -.119E+03 0.177E+03   0.189E+03 0.119E+03 -.177E+03   0.110E+00 -.615E-01 0.172E+00   -.784E-04 -.542E-04 0.191E-04
   -.299E+03 -.149E+03 0.179E+03   0.299E+03 0.154E+03 -.179E+03   0.311E+00 -.425E+01 0.940E+00   0.404E-04 -.635E-04 -.120E-03
   -.229E+03 -.120E+03 0.219E+02   0.229E+03 0.124E+03 -.246E+02   -.542E+00 -.406E+01 0.187E+01   -.103E-04 0.348E-05 0.432E-04
   -.138E+03 0.533E+01 0.208E+03   0.138E+03 -.555E+01 -.208E+03   -.355E-01 0.300E-01 0.234E+00   -.131E-03 -.188E-04 0.914E-05
   -.115E+03 0.883E+02 0.666E+02   0.115E+03 -.895E+02 -.655E+02   0.464E+00 0.194E+01 -.108E+01   -.664E-04 -.442E-04 0.496E-04
   -.124E+03 0.120E+03 0.137E+03   0.124E+03 -.121E+03 -.137E+03   0.506E+00 0.120E+01 0.836E-02   -.817E-04 -.260E-05 0.384E-04
   -.140E+03 0.745E+01 0.342E+03   0.140E+03 -.779E+01 -.343E+03   -.141E+00 0.379E+00 0.117E+01   -.223E-03 0.834E-04 -.655E-04
   -.139E+03 -.277E+02 0.378E+03   0.139E+03 0.285E+02 -.380E+03   0.208E+00 -.110E+01 0.241E+01   -.212E-03 0.146E-03 -.165E-03
   -.152E+03 0.424E+02 0.311E+03   0.153E+03 -.422E+02 -.312E+03   -.330E+00 -.142E+00 0.124E+01   -.127E-03 0.121E-03 -.745E-04
   -.153E+03 0.142E+03 0.282E+03   0.152E+03 -.149E+03 -.282E+03   0.590E+00 0.367E+01 0.221E+01   -.420E-04 0.220E-03 -.152E-03
   -.123E+03 0.138E+03 0.112E+03   0.123E+03 -.140E+03 -.116E+03   0.647E+00 0.305E+01 0.329E+01   -.142E-04 -.128E-04 0.103E-03
   -.126E+03 0.130E+03 0.613E+02   0.127E+03 -.126E+03 -.574E+02   -.608E+00 -.470E+01 -.371E+01   0.514E-04 0.648E-04 0.374E-04
   -.531E+02 0.216E+03 -.155E+03   0.525E+02 -.217E+03 0.156E+03   0.704E+00 0.153E+01 -.178E+01   0.751E-04 0.555E-04 0.728E-04
   -.248E+02 0.159E+03 -.209E+03   0.243E+02 -.160E+03 0.211E+03   0.408E+00 0.990E-01 -.211E+01   0.615E-04 0.447E-04 0.836E-04
   -.115E+03 0.130E+03 0.194E+03   0.116E+03 -.130E+03 -.197E+03   -.107E+01 -.960E+00 0.326E+01   0.728E-04 0.291E-04 0.295E-04
   -.493E+02 0.934E+02 -.505E+01   0.480E+02 -.952E+02 0.630E+01   0.143E+01 0.189E+01 -.138E+01   0.888E-04 0.249E-04 0.402E-04
   -.526E+02 0.232E+02 -.153E+03   0.528E+02 -.231E+02 0.154E+03   -.780E-01 0.378E+00 -.102E+01   0.517E-04 0.107E-04 0.875E-04
   -.783E+02 -.288E+02 -.199E+03   0.787E+02 0.291E+02 0.199E+03   -.322E+00 -.235E+00 0.682E+00   0.248E-04 -.350E-04 0.396E-04
   -.570E+02 -.815E+02 -.264E+03   0.580E+02 0.835E+02 0.263E+03   -.755E+00 -.219E+01 0.133E+01   0.663E-05 -.374E-04 0.382E-04
   -.371E+02 -.155E+03 -.372E+03   0.367E+02 0.156E+03 0.374E+03   0.414E+00 -.607E+00 -.184E+01   -.105E-04 -.851E-04 0.483E-04
   -.137E+03 -.170E+03 -.182E+03   0.138E+03 0.171E+03 0.180E+03   -.758E+00 -.200E+00 0.229E+01   0.237E-04 -.885E-04 0.109E-04
   -.109E+03 -.296E+03 -.219E+03   0.109E+03 0.297E+03 0.219E+03   -.854E-01 -.800E+00 0.399E+00   -.176E-05 -.115E-03 0.462E-05
   -.643E+02 -.264E+03 -.326E+03   0.645E+02 0.265E+03 0.326E+03   -.212E+00 -.121E+01 -.685E+00   -.940E-05 -.135E-03 0.292E-04
   -.547E+02 -.313E+02 -.257E+03   0.599E+02 0.401E+02 0.253E+03   -.534E+01 -.878E+01 0.473E+01   0.303E-04 0.821E-05 0.815E-04
   -.529E+02 0.672E+02 0.313E+02   0.481E+02 -.764E+02 -.262E+02   0.463E+01 0.943E+01 -.456E+01   0.216E-03 -.952E-04 0.416E-04
   -.211E+03 -.328E+02 -.489E+02   0.211E+03 0.330E+02 0.505E+02   0.943E-01 -.174E+00 -.180E+01   0.107E-04 -.581E-05 -.857E-05
   -.144E+03 -.156E+03 0.121E+03   0.144E+03 0.157E+03 -.121E+03   0.255E+00 -.150E+01 -.376E+00   0.144E-04 -.788E-05 -.216E-04
   -.168E+03 -.153E+03 0.161E+03   0.168E+03 0.154E+03 -.162E+03   -.128E+00 -.220E+01 0.869E+00   0.119E-04 -.910E-05 -.133E-05
   -.324E+03 0.767E+01 -.167E+03   0.324E+03 -.952E+01 0.169E+03   0.572E+00 0.192E+01 -.327E+01   0.135E-04 0.255E-04 0.241E-04
   -.311E+03 -.729E+02 -.196E+03   0.311E+03 0.731E+02 0.197E+03   0.329E+00 -.144E+00 -.143E+01   0.401E-04 0.233E-05 0.431E-04
   -.237E+03 -.665E+02 -.272E+02   0.236E+03 0.665E+02 0.275E+02   0.370E+00 0.335E+00 -.199E+00   0.253E-04 -.293E-04 0.211E-04
   -.109E+03 -.652E+02 -.191E+02   0.109E+03 0.698E+02 0.217E+02   -.249E+00 -.400E+01 -.300E+01   0.536E-05 -.557E-04 -.164E-04
   -.620E+02 -.150E+03 0.104E+03   0.618E+02 0.153E+03 -.994E+02   -.595E-01 -.319E+01 -.384E+01   0.284E-04 0.382E-05 -.750E-04
   -.205E+03 0.479E+02 -.377E+02   0.205E+03 -.483E+02 0.379E+02   0.179E+00 0.345E+00 -.194E+00   0.372E-04 -.538E-04 0.181E-04
   -.115E+03 0.648E+02 0.170E+03   0.115E+03 -.658E+02 -.172E+03   -.146E+00 0.168E+01 0.193E+01   0.307E-04 -.441E-04 -.793E-05
   -.627E+02 0.876E+02 0.955E+02   0.624E+02 -.890E+02 -.955E+02   0.407E+00 0.168E+01 0.417E+00   0.505E-04 -.248E-04 -.192E-04
   -.231E+03 0.842E+02 -.241E+03   0.231E+03 -.851E+02 0.242E+03   0.234E+00 0.109E+01 -.999E+00   0.714E-04 -.803E-04 0.232E-04
   -.189E+03 0.426E+02 -.313E+03   0.189E+03 -.427E+02 0.315E+03   -.200E-01 0.273E+00 -.238E+01   0.779E-04 -.646E-04 -.113E-05
   -.105E+03 0.667E+02 -.167E+03   0.105E+03 -.675E+02 0.168E+03   -.386E-01 0.588E+00 -.124E+01   0.591E-04 0.488E-05 0.109E-04
   -.444E+02 0.125E+03 -.104E+03   0.441E+02 -.131E+03 0.103E+03   0.512E+00 0.449E+01 -.633E+00   0.669E-04 0.107E-03 0.953E-04
   0.851E+00 0.917E+02 0.127E+03   -.157E+01 -.959E+02 -.126E+03   0.611E+00 0.451E+01 -.195E+01   0.714E-04 -.768E-05 -.659E-04
   0.500E+02 0.641E+02 0.976E+02   -.487E+02 -.587E+02 -.995E+02   -.137E+01 -.549E+01 0.161E+01   0.521E-04 0.886E-04 0.476E-04
   0.182E+02 0.145E+03 0.282E+03   -.173E+02 -.146E+03 -.284E+03   -.776E+00 0.126E+01 0.259E+01   0.623E-04 0.778E-04 0.113E-04
   -.195E+02 0.139E+03 0.243E+03   0.205E+02 -.139E+03 -.244E+03   -.915E+00 -.653E+00 0.178E+01   0.446E-04 0.547E-04 -.181E-04
   0.583E+02 0.853E+02 -.657E+02   -.590E+02 -.856E+02 0.690E+02   0.734E+00 0.222E+00 -.340E+01   0.226E-04 0.570E-04 0.596E-04
   0.170E+02 0.446E+02 0.911E+01   -.162E+02 -.461E+02 -.112E+02   -.958E+00 0.135E+01 0.178E+01   -.131E-04 0.431E-04 0.413E-04
   0.608E+01 0.270E+02 0.891E+02   -.568E+01 -.265E+02 -.899E+02   -.440E+00 -.550E+00 0.610E+00   -.172E-04 0.386E-04 -.748E-05
   -.103E+03 -.146E+02 0.446E+02   0.103E+03 0.147E+02 -.440E+02   0.162E+00 0.620E-01 -.401E+00   -.544E-04 0.113E-05 -.219E-04
   -.231E+03 -.311E+02 0.123E+03   0.231E+03 0.323E+02 -.121E+03   0.405E+00 -.858E+00 -.177E+01   0.895E-05 -.312E-04 -.936E-04
   -.299E+03 -.826E+02 0.185E+03   0.300E+03 0.828E+02 -.188E+03   -.891E+00 -.756E-01 0.322E+01   0.888E-05 -.323E-04 -.826E-04
   -.108E+03 -.138E+03 -.123E+03   0.108E+03 0.138E+03 0.125E+03   0.548E+00 0.633E+00 -.177E+01   -.741E-04 -.130E-04 0.650E-05
   -.150E+03 -.146E+03 -.169E+03   0.149E+03 0.147E+03 0.172E+03   0.588E+00 -.125E+01 -.271E+01   -.519E-04 -.110E-04 -.362E-05
   -.238E+03 -.662E+02 0.388E+02   0.237E+03 0.603E+02 -.368E+02   0.522E+00 0.598E+01 -.183E+01   -.301E-04 -.353E-04 -.310E-04
   -.243E+03 0.219E+01 0.167E+03   0.241E+03 0.459E+01 -.158E+03   0.228E+01 -.649E+01 -.847E+01   0.203E-03 -.105E-03 -.241E-03
   -.464E+02 0.134E+02 -.713E+02   0.488E+02 -.204E+02 0.634E+02   -.272E+01 0.718E+01 0.841E+01   -.459E-04 -.445E-04 0.167E-04
   -.419E+03 -.758E+02 0.807E+02   0.420E+03 0.768E+02 -.819E+02   -.254E+00 -.340E+00 0.158E+01   0.115E-03 -.519E-04 -.522E-04
   -.421E+03 -.102E+03 -.849E+02   0.421E+03 0.103E+03 0.848E+02   -.344E+00 -.128E+01 -.289E+00   0.340E-04 0.839E-05 0.360E-05
   -.369E+03 -.901E+02 -.125E+03   0.369E+03 0.906E+02 0.127E+03   0.206E+00 -.170E+01 -.193E+01   0.346E-04 0.974E-04 0.658E-04
   -.342E+03 -.669E+02 0.169E+03   0.341E+03 0.669E+02 -.171E+03   0.295E+00 -.384E+00 0.235E+01   0.168E-03 -.629E-04 -.109E-04
   -.291E+03 -.118E+03 0.131E+03   0.291E+03 0.119E+03 -.131E+03   0.546E-01 -.103E+01 0.999E+00   0.127E-03 0.460E-05 0.447E-04
   -.307E+03 -.834E+02 0.155E+02   0.307E+03 0.836E+02 -.158E+02   0.154E+00 -.234E-01 -.256E-01   0.693E-04 0.817E-04 0.864E-04
   -.437E+03 -.106E+03 0.148E+02   0.437E+03 0.109E+03 -.161E+02   0.101E+00 -.439E+01 0.889E+00   0.125E-03 -.760E-04 -.186E-03
   -.429E+03 -.868E+02 -.468E+02   0.430E+03 0.905E+02 0.428E+02   -.111E+01 -.402E+01 0.228E+01   -.128E-04 0.413E-04 0.124E-04
   -.253E+03 0.381E+02 0.409E+02   0.253E+03 -.383E+02 -.413E+02   -.979E-01 0.296E-01 0.221E+00   0.102E-03 0.841E-04 0.104E-03
   -.280E+03 0.116E+03 -.606E+02   0.280E+03 -.117E+03 0.617E+02   0.285E+00 0.217E+01 -.108E+01   0.165E-03 0.392E-04 0.111E-03
   -.287E+03 0.138E+03 0.733E+01   0.287E+03 -.139E+03 -.747E+01   0.292E+00 0.156E+01 0.236E+00   0.263E-03 0.150E-05 0.108E-03
   -.201E+03 0.414E+02 0.137E+03   0.202E+03 -.417E+02 -.138E+03   -.180E+00 0.319E+00 0.126E+01   0.123E-03 0.768E-04 0.752E-04
   -.200E+03 -.121E+02 0.151E+03   0.200E+03 0.130E+02 -.153E+03   0.484E-01 -.120E+01 0.259E+01   0.173E-03 0.331E-04 0.522E-04
   -.271E+03 0.441E+02 0.129E+03   0.271E+03 -.441E+02 -.131E+03   -.259E+00 0.290E-01 0.140E+01   0.252E-03 0.212E-05 0.860E-04
   -.300E+03 0.114E+03 0.127E+03   0.300E+03 -.120E+03 -.128E+03   0.228E+00 0.383E+01 0.234E+01   0.279E-03 -.453E-04 0.388E-04
   -.318E+03 0.155E+03 0.789E+02   0.318E+03 -.158E+03 -.835E+02   0.158E+00 0.343E+01 0.351E+01   0.329E-03 -.736E-04 0.421E-04
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   0.102E+04 0.123E+03 -.151E+03   -.107E+04 -.130E+03 0.129E+03   0.519E+02 0.701E+01 0.220E+02   0.135E-03 -.120E-04 -.492E-03
   -.471E+03 0.492E+02 -.366E+03   0.503E+03 -.506E+02 0.406E+03   -.314E+02 0.149E+01 -.403E+02   0.916E-04 0.223E-03 -.423E-04
   0.924E+02 0.563E+03 -.546E+02   -.110E+03 -.616E+03 0.550E+02   0.184E+02 0.528E+02 -.644E+00   0.236E-03 0.352E-03 -.217E-03
   -.253E+03 -.692E+02 0.197E+03   0.277E+03 0.726E+02 -.242E+03   -.244E+02 -.304E+01 0.449E+02   -.104E-04 0.335E-03 -.229E-03
   -.380E+03 -.345E+03 0.158E+03   0.402E+03 0.374E+03 -.193E+03   -.219E+02 -.287E+02 0.345E+02   0.557E-04 -.162E-03 0.291E-03
   0.203E+03 -.524E+03 -.243E+03   -.228E+03 0.560E+03 0.277E+03   0.252E+02 -.358E+02 -.340E+02   0.296E-03 -.206E-03 -.960E-04
   -.407E+03 -.136E+03 -.298E+02   0.448E+03 0.118E+03 0.588E+02   -.406E+02 0.177E+02 -.296E+02   0.172E-03 -.288E-04 -.836E-05
   0.931E+03 -.404E+02 -.183E+03   -.975E+03 0.625E+02 0.163E+03   0.442E+02 -.220E+02 0.195E+02   -.220E-03 -.449E-04 -.160E-03
   0.501E+03 0.461E+03 0.576E+02   -.484E+03 -.490E+03 -.989E+02   -.167E+02 0.297E+02 0.408E+02   -.111E-03 -.107E-03 -.935E-04
   0.829E+03 0.323E+03 -.408E+03   -.849E+03 -.358E+03 0.445E+03   0.193E+02 0.352E+02 -.370E+02   -.811E-04 -.162E-03 -.183E-03
   0.456E+03 -.104E+03 -.613E+03   -.485E+03 0.122E+03 0.654E+03   0.287E+02 -.179E+02 -.415E+02   -.851E-04 -.820E-05 -.145E-03
   0.800E+02 -.366E+03 -.433E+02   -.494E+02 0.405E+03 0.281E+02   -.306E+02 -.389E+02 0.154E+02   -.104E-03 -.348E-04 -.232E-04
   0.320E+03 0.149E+03 0.108E+03   -.355E+03 -.151E+03 -.150E+03   0.344E+02 0.217E+01 0.420E+02   0.254E-04 0.548E-04 -.492E-05
   -.271E+03 -.132E+03 -.350E+03   0.309E+03 0.136E+03 0.385E+03   -.378E+02 -.471E+01 -.351E+02   -.566E-04 0.220E-04 0.158E-03
   0.297E+03 0.325E+03 -.179E+03   -.323E+03 -.370E+03 0.197E+03   0.263E+02 0.444E+02 -.174E+02   0.915E-04 0.667E-04 0.516E-04
   -.112E+03 0.223E+02 0.129E+03   0.138E+03 -.369E+02 -.174E+03   -.258E+02 0.149E+02 0.451E+02   -.106E-03 0.830E-04 -.124E-03
   -.313E+03 -.421E+03 0.417E+03   0.342E+03 0.454E+03 -.447E+03   -.283E+02 -.333E+02 0.298E+02   -.548E-04 0.714E-04 0.448E-04
   0.174E+03 -.505E+03 -.101E+03   -.203E+03 0.535E+03 0.133E+03   0.289E+02 -.297E+02 -.319E+02   0.132E-04 -.893E-04 -.105E-03
   -.292E+03 -.118E+03 -.218E+02   0.326E+03 0.971E+02 0.568E+02   -.338E+02 0.203E+02 -.353E+02   -.176E-03 0.142E-04 0.384E-04
   -.264E+02 -.110E+03 0.865E+03   -.304E+01 0.133E+03 -.905E+03   0.296E+02 -.225E+02 0.401E+02   -.562E-04 -.237E-04 -.427E-03
   -.242E+03 0.192E+03 0.670E+03   0.281E+03 -.218E+03 -.696E+03   -.386E+02 0.253E+02 0.250E+02   -.205E-03 0.204E-03 -.135E-03
   0.111E+03 0.413E+03 0.295E+03   -.144E+03 -.448E+03 -.276E+03   0.327E+02 0.349E+02 -.192E+02   0.340E-04 0.170E-03 -.398E-05
 -----------------------------------------------------------------------------------------------
   -.139E+02 -.417E+01 0.228E+02   -.115E-10 -.256E-11 -.364E-11   0.139E+02 0.416E+01 -.229E+02   0.537E-02 -.272E-02 -.571E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.87828      3.16343      1.41198        -0.025928      0.028610      0.194368
     12.69506      3.60277      2.73368         0.051416     -0.102843     -0.311549
     12.64381      4.98891      3.04555         0.219163     -0.796933     -0.393231
     12.91210      4.07779      0.36632         0.198758      0.055747      0.361437
     12.90020      5.44238      0.67629         0.007566     -0.356161      0.046805
     12.80244      5.94446      1.99892         0.057701      0.149882     -0.026446
     12.94846      1.66467      1.35382        -0.209190      1.292698      1.567333
     12.49821      2.35475      3.58335         0.143862     -0.032497     -0.807255
     12.90103      7.44074      2.22935         0.016069     -0.192310     -0.083794
     12.83293      8.02758      3.51727         0.278263      0.745294     -0.007510
     13.13315      9.40075      3.65929         0.224657      0.356740      0.001976
     13.14480      8.32369      1.13947         0.076397      0.036006      0.153306
     13.33922      9.70150      1.27464         0.191163     -0.337549      0.524509
     13.38283     10.22882      2.55874        -0.086245      0.047830      0.137514
     13.61838     11.65861      2.99510        -0.465651     -3.251506      2.190921
     13.28133     10.25812      4.90056         0.300116      0.442219     -1.074421
     13.68466     12.77553      5.29469        -0.170881     -0.415760      0.189962
     13.33768     12.69824      6.65207         0.102995     -0.219578     -0.188247
     13.38052     13.80473      7.48619        -0.082400     -0.328779     -0.143593
     13.98003     14.07348      4.83580        -0.107950     -0.286307      0.288505
     13.98743     15.17449      5.71606         0.083452      0.135953     -0.132919
     13.72251     15.10359      7.12651         0.140684      0.434962     -0.198594
     13.75283     16.24154      8.16023         0.101475     -0.001072     -0.027947
     13.21565     16.20242      9.49706         0.229925     -0.244165      0.207514
     13.35329     17.27912     10.39478         0.090839      0.038502     -0.056681
     14.31066     17.50720      7.86212         0.142547      0.171091      0.271293
     14.36468     18.60354      8.72078        -0.021910     -0.055958      0.230897
     13.92807     18.49850     10.03828        -0.042928     -0.035813     -0.175199
     12.50472     15.02041     10.11970        -0.172173      0.040915      0.254943
     14.47160     16.42774      5.05748        -0.154478      0.228201      0.515723
      9.66561      3.85861      4.81407         0.086768      0.063949     -0.243455
      9.80935      4.80691      3.80173         0.042245     -0.209084      0.011415
      9.97882      6.16817      4.11813        -0.274060     -0.797543     -0.053265
      9.63305      4.22484      6.14718         0.204148      0.076651     -0.550568
      9.71726      5.56929      6.46480         0.098136      0.048329     -0.159566
      9.91591      6.56511      5.47490         0.033235      0.305087      0.142830
      9.52354      2.49478      4.25269         0.027140      0.562301     -0.453319
      9.80728      4.06604      2.48534        -0.231063     -0.657819      1.041112
     10.03405      8.00555      5.86512        -0.000483     -0.061759     -0.014945
     10.26936      8.98905      4.87592        -0.165447      0.653626      0.124907
     10.30393     10.33528      5.25076         0.166465      0.299561      0.427837
      9.89555      8.44014      7.21120         0.151540      0.189051     -0.245447
     10.00592      9.78361      7.59103         0.008525      0.160969     -0.659059
     10.20045     10.73812      6.59364        -0.039879     -0.244364     -0.200093
     10.33407     12.22523      6.70152         0.153847     -1.535167     -2.158187
     10.53784     11.56335      4.42936        -0.109233      0.332892     -0.365316
     10.86280     14.05938      4.99554        -0.017808     -0.066589     -0.253236
     11.34304     14.40974      3.72345         0.111608      0.104927      0.262052
     11.71466     15.72379      3.44239         0.133006     -0.327322      0.065106
     10.82842     15.12390      5.92150         0.009430     -0.102494     -0.045448
     11.11780     16.47058      5.58798        -0.083859     -0.103929     -0.270961
     11.58415     16.85028      4.27371        -0.033713     -0.003291     -0.225290
     12.02383     18.23453      3.75725         0.067430      0.162548      0.174760
     12.51402     18.60757      2.44555         0.016816      0.301418      0.015574
     12.68413     19.98029      2.12022         0.187940      0.116382      0.007079
     11.92638     19.34767      4.62130        -0.092461      0.135062     -0.033071
     12.12691     20.69150      4.32329         0.085425     -0.128960     -0.273221
     12.52482     21.05834      3.03241        -0.239236      0.114090      0.174370
     12.82959     17.66419      1.24934         0.256732      0.287379     -0.033867
     10.84990     17.42983      6.72732        -0.246481      0.128304      0.461446
     10.20245      7.14065     14.59606        -0.074273      0.639561      0.452827
     10.09860      7.59301     15.92940        -0.102328      0.050145     -0.315787
     10.07485      8.98460     16.24722         0.130563     -1.134509     -0.438045
     10.21534      8.09420     13.56028         0.202045     -0.408793      0.480254
     10.23989      9.46166     13.87460        -0.026101     -0.320897      0.281875
     10.19803      9.95405     15.21830         0.176485      0.215240     -0.412699
     10.14263      5.64526     14.56407         0.630630     -0.991946     -0.456931
      9.83140      6.37371     16.80726         0.268339     -0.302867     -1.748621
     10.27660     11.45395     15.49461         0.057096     -0.198898     -0.090544
     10.20111     11.99595     16.80438         0.315318      0.791902      0.069685
     10.40280     13.38555     16.99701         0.228133      0.393429      0.099541
     10.47251     12.38589     14.43209         0.066111     -0.020906      0.193746
     10.62006     13.76412     14.61910         0.152278     -0.279376      0.431574
     10.61779     14.25360     15.92006        -0.015598      0.093201      0.198575
     10.74619     15.68430     16.39341        -0.256715     -2.072838      1.018917
     10.40470     14.25425     18.25913         0.309500      0.366090     -1.100939
     10.57698     16.85450     18.64842         0.052309     -0.566333      0.057637
     10.17750     16.78771     19.98784         0.107643      0.077742     -0.216668
     10.00249     17.94349     20.74908        -0.050711     -0.250853     -0.109029
     10.82857     18.17260     18.17587         0.115194     -0.383034      0.286750
     10.78951     19.29871     19.03249        -0.003332      0.196353     -0.262583
     10.32498     19.26222     20.39909         0.134007      0.148885      0.038893
     10.15593     20.43134      0.14831         0.273741     -0.145824      0.120482
      9.69845     20.34099      1.51770        -0.319943     -0.079631      0.055329
      9.58609      0.20044      2.37011         0.081319      0.165197     -0.125763
     10.51499      0.51166     21.11772         0.052725      0.093111      0.434780
     10.24415      1.65266      0.62270        -0.143272     -0.126280     -0.027002
      9.77031      1.53139      1.93650         0.102650     -0.000624     -0.271991
      9.24027     19.07964      2.23240        -0.322485      0.203679      0.392665
     11.19162     20.59955     18.38015         0.078715      0.220071      0.057276
      7.02604      7.64414     17.53833         0.150959     -0.145848     -0.328038
      7.11809      8.60577     16.52454         0.492220     -0.313849      0.018096
      7.34121      9.95977     16.84026        -0.327386     -0.602348     -0.135667
      7.08463      8.00586     18.87877         0.169855      0.207088     -0.412650
      7.12773      9.36709     19.18561         0.170824     -0.101772     -0.248044
      7.26739     10.37637     18.19084        -0.015453      0.286207      0.082033
      6.84252      6.27353     16.94532         0.171882      1.900643     -0.846750
      7.11894      7.87557     15.19210        -0.259291     -0.373254      0.699808
      7.30226     11.83893     18.57212        -0.030337     -0.092398      0.027097
      7.50724     12.89382     17.63947        -0.260574      0.790740      0.289291
      7.43395     14.23843     18.07827        -0.025454      0.017584      0.266093
      7.09170     12.21132     19.92051         0.135623      0.273254     -0.132722
      7.08594     13.53902     20.36423         0.122687      0.134160     -0.557838
      7.23112     14.56266     19.43193        -0.025550     -0.137504     -0.180304
      7.25101     16.05376     19.63627         0.237304     -1.195380     -1.894035
      7.63978     15.53559     17.33951        -0.159325      0.237211      0.188758
      7.69082     18.02130     18.07313        -0.115338     -0.152272     -0.283549
      8.32453     18.44129     16.89569         0.106404      0.220378      0.229284
      8.64081     19.78656     16.70220         0.133166     -0.559139     -0.043342
      7.39576     19.05814     18.98895         0.059512      0.085961     -0.251023
      7.55363     20.43280     18.65586        -0.277169     -0.224327      0.040335
      8.19404     20.88114     17.45909         0.148168     -0.008528     -0.485448
      8.59820      1.03054     16.99301         0.047866      0.403761      0.120762
      9.06577      1.35465     15.67059         0.223378     -0.123741      0.121806
      9.43114      2.70067     15.33796         0.173511      0.220061      0.139148
      8.62165      2.16437     17.86935         0.289382      0.143778     -0.275686
      9.00249      3.48135     17.54688         0.102511     -0.579885     -0.039337
      9.45372      3.79450     16.24596        -0.137758      0.268696      0.459543
      9.37390      0.34315     14.50397        -0.360803     -0.835418     -0.568091
      7.05656      0.13092     19.70043        -0.429742      0.117635      0.299748
      6.99696     10.85473      6.10979        -0.064085      0.237947      0.264939
      6.81865     11.33592      7.41904         0.030517      0.039109     -0.240094
      6.94562     12.70592      7.73520        -0.103701     -0.716509     -0.299530
      7.34498     11.72848      5.08661        -0.198789      0.092909      0.348639
      7.47446     13.08987      5.39819        -0.178736     -0.197920      0.079906
      7.26225     13.62664      6.70134        -0.079135      0.122096     -0.152630
      6.89456      9.36714      6.08467        -0.104746      0.694445      1.209091
      6.59415     10.14311      8.31144         0.325874     -0.285411     -1.403878
      7.36418     15.11622      6.93253        -0.076016     -0.135884     -0.201674
      7.11478     15.73251      8.18253        -0.011782      0.818693     -0.042988
      7.23269     17.14058      8.29638        -0.012919      0.147538     -0.079346
      7.71585     15.97178      5.85094        -0.167407      0.161240      0.121727
      7.75453     17.36242      5.94747        -0.267822     -0.135115      0.407440
      7.52104     17.95348      7.19036        -0.148979     -0.038046      0.409875
      7.72118     19.39069      7.63134        -0.460809     -1.141269      0.968177
      7.19339     18.02421      9.52882         0.633377      0.876683     -2.354521
      7.54910     20.59204      9.88829        -0.031664     -0.449373      0.232109
      7.08554     20.55181     11.21755         0.129407      0.132467     -0.140134
      6.92049      0.44897     11.98818         0.235034     -0.250612     -0.359712
      7.93599      0.62276      9.46143        -0.103578     -0.139129      0.278797
      7.95686      1.72018     10.37748         0.305625      0.278242     -0.166461
      7.44751      1.73110     11.71826        -0.180645      0.155283      0.034431
      7.38432      2.93036     12.76310        -0.068075     -0.017698      0.262730
      6.87713      2.89920     14.12392         0.565285      0.688821     -0.655872
      6.74507      4.02256     14.98353         0.372309      0.036409     -0.459466
      7.81253      4.25303     12.51994         0.326863     -0.026921     -0.020388
      7.64181      5.39938     13.31586        -0.273387      0.161318      0.066733
      7.06626      5.34816     14.59998         0.280953     -0.367577     -0.253271
      6.25206      1.71572     14.70205        -1.370951     -0.031157      1.387892
      8.58207      2.94613      9.79866         0.057387      0.120514      0.118496
      4.03258     11.50483     10.77730         0.038701     -0.000035     -0.348273
      3.75688     12.39453      9.72451         0.159146     -0.232418      0.103046
      3.82125     13.78227      9.90401         0.064540     -0.668753     -0.015876
      4.37504     11.97581     12.03816        -0.024879      0.293489     -0.505658
      4.43111     13.36298     12.22189         0.011585     -0.022309     -0.166073
      4.16812     14.29511     11.17760         0.082196      0.075551      0.002849
      3.86317     10.09246     10.31642        -0.261566      1.380885     -0.883456
      3.38909     11.58659      8.50698         0.419121     -0.626449      1.352825
      4.26937     15.77803     11.39508         0.074791     -0.223516      0.216844
      4.08701     16.70414     10.33618         0.057621      0.614589     -0.021686
      4.15184     18.08740     10.60577         0.095413      0.146143      0.305345
      4.60610     16.28237     12.68093         0.058640      0.351755     -0.331653
      4.76087     17.64588     12.91441        -0.122700      0.306064     -0.260075
      4.44125     18.54336     11.89812        -0.065749     -0.136680     -0.392812
      4.40055     20.01792     11.92028         0.004438      1.258451      1.216139
      4.18217     19.30787      9.72110         0.007848      0.352122     -1.134131
      4.49292      0.62690     10.16658         0.099473      0.075184     -0.599588
      4.84067      0.94771      8.84031         0.034934      0.156695      0.001983
      5.21053      2.25349      8.47958        -0.202991     -0.150884      0.127015
      4.47173      1.75784     11.01483        -0.079667      0.049634     -0.072646
      4.77666      3.10759     10.62151        -0.152313     -0.316942     -0.075375
      5.28943      3.41069      9.29660         0.190052     -0.028541     -0.094475
      5.86910      4.79659      8.70707         0.157908      0.013405      0.540422
      6.35798      5.11386      7.38591         0.312278      0.019583      0.039520
      6.61843      6.46060      6.98684         0.197324     -0.158157      0.115087
      5.84193      5.95724      9.50928         0.217985      0.157142     -0.019692
      6.14472      7.26809      9.15369        -0.059857     -0.123931     -0.099276
      6.50237      7.58131      7.84077        -0.201827      0.088865      0.203525
      6.46485      4.04956      6.28023         0.477437     -0.075901      0.220927
      4.57269      4.08194     11.78736        -0.553305      0.292735      0.398171
      1.16366     14.34639      0.75468         0.319337     -0.088570      0.534986
      1.75917     14.77323      1.96141        -0.383284     -0.149534     -0.146630
      1.70721     16.15038      2.31086        -0.208463     -0.717647     -0.427300
      0.72800     15.23972     21.04402        -0.243002      0.166010      0.394358
      0.76349     16.59583      0.10398         0.010120     -0.609481      0.140428
      1.15683     17.08562      1.37904        -0.061793      0.324114     -0.392996
      1.18558     12.87346      0.66169         0.013510     -0.086733      0.216886
      2.39308     13.50712      2.61467        -2.019558      0.205255     -3.106600
      1.02652     18.58699      1.57484        -0.194497     -0.178059     -0.242903
      1.38964     19.25402      2.76542        -0.310143      0.835364     -0.064232
      1.20773     20.65256      2.84008        -0.017959      0.082365     -0.122933
      0.53023     19.39976      0.49752        -0.034434      0.135179      0.233695
      0.35922     20.78406      0.57420         0.109453     -0.194812      0.472290
      0.68440      0.14058      1.77417         0.056402     -0.076114      0.084976
      0.69589      1.60229      2.07635         0.383286     -1.131317      1.073808
      1.62262      0.35905      3.91533        -0.836890      0.684757     -1.754746
      1.45417      2.94668      4.04461         0.220001     -0.195422      0.422976
      2.02187      2.94456      5.31353        -0.155754     -0.146543     -0.010510
      2.16391      4.11081      6.03553         0.001615     -0.285329      0.189213
      1.06946      4.22115      3.58482        -0.041156     -0.070791      0.122088
      1.26973      5.38371      4.36337        -0.522327      0.573252     -0.475231
      1.87404      5.43797      5.65873        -0.102478      0.086682     -0.368657
      2.20903      6.69338      6.49317         0.031224      0.063352      0.244958
      2.73034      6.64386      7.81165        -0.007955      0.308945     -0.009344
      3.22499      7.74081      8.56791        -0.293072     -0.143712     -0.069709
      2.14731      8.05548      6.09575        -0.050403      0.060170      0.298151
      2.57715      9.17283      6.81521         0.236116     -0.076536      0.242722
      3.13123      9.06202      8.11142        -0.108962      0.055264     -0.280090
      2.94845      5.34968      8.46491         0.553136     -0.709681      0.840969
      0.66648      6.61782      3.73141        -0.053553      0.141967      0.160497
      4.68023     14.08262      0.70456        -0.083463     -0.042802     -0.167927
      4.01083     15.00374     -0.11595        -0.063762     -0.048144      0.172135
      3.98363     16.38376      0.25551         0.278179     -0.519479     -0.099268
      5.39366     14.51658      1.82188        -0.045878      0.459870     -0.176581
      5.41896     15.88747      2.13881        -0.099054     -0.365808     -0.282384
      4.69897     16.87195      1.39930         0.135072      0.148235      0.093954
      4.53744     12.67699      0.17775        -0.570537      1.306893     -0.424433
      3.37316     14.18253     19.98594         1.351889     -0.725416      1.797361
      4.76109     18.35568      1.85789         0.102060     -0.161844      0.067368
      4.08374     19.44182      1.22612         0.219474      0.673362      0.289141
      4.23345     20.77747      1.70943         0.095855      0.070762     -0.027950
      5.56814     18.71549      2.98432        -0.101127      0.373414      0.010666
      5.72442     20.03089      3.46579        -0.221980     -0.116572     -0.343578
      5.04307     21.05947      2.82097        -0.107964      0.085061     -0.272021
      5.07514      1.28384      3.10758        -0.534096     -0.820782     -0.897366
      3.67791      0.86626      1.21256         1.152245     -0.330739      1.289706
      3.91140      3.32170      2.13183        -0.073367     -0.127629     -0.596493
      3.04751      3.90502      1.19125        -0.070340      0.059763     -0.062204
      2.75119      5.27822      1.17288         0.018767     -0.328049      0.138649
      4.37794      4.26539      3.06326        -0.165262      0.005857     -0.257157
      4.11923      5.65662      2.92858         0.459682      0.567598      0.223272
      3.36019      6.33247      1.92914         0.174116     -0.008668      0.417068
      3.14033      8.00327      1.86194         0.762416     -0.240603      0.307660
      2.20101      8.61637      1.00881         0.126840     -0.151781     -0.772169
      1.94853     10.00598      0.84244        -0.139958     -0.881840     -0.034806
      3.72972      9.02908      2.68725        -0.520315      0.356763     -0.216201
      3.36396     10.40235      2.68338        -0.653353     -0.459700     -0.464083
      2.46953     10.96797      1.72030         0.091555     -0.004596      1.031674
      1.58453      7.65402      0.04147        -1.107125      0.910877      0.232712
      4.79860      6.45940      3.98985        -0.568811      0.343442     -0.516423
     18.24719     17.31646     13.41875        -0.148193      0.101129      0.177036
     19.29708     17.82493     14.19853        -0.368070     -0.357790     -0.088163
     19.53568     19.20602     14.31857        -0.177044     -0.562233      0.145499
     17.41179     18.19012     12.72055         0.396253      0.069676      0.565654
     17.61309     19.56515     12.89013         0.166133      0.023047      0.084526
     18.65672     20.11885     13.68565        -0.005125      0.174447      0.014524
     18.20926     15.80919     13.49442         1.978425      2.138339      1.338108
     20.02276     16.64424     14.77791         0.117957     -0.127573      0.473433
     18.79184      0.35602     13.89307        -0.098173     -0.117277      0.016405
     19.83408      0.92191     14.67612        -0.190022      0.843046      0.316442
     19.79800      2.30153     14.99998        -0.454320      0.141767      0.087971
     17.79988      1.24678     13.39948         0.096982     -0.000642      0.202642
     17.78968      2.62080     13.66809         0.422794     -0.035070      0.489118
     18.78899      3.14686     14.49753         0.242456     -0.219366      0.114032
     18.97846      4.55109     15.02225         1.012188     -1.379425      0.483289
     20.61911      3.11320     15.98956        -0.731927      0.451672     -0.262931
     20.68157      5.62790     16.63706        -0.086424      0.061522     -0.155701
      0.74025      5.60426     17.13830        -0.827998     -0.704302     -0.381359
      1.37688      6.78148     17.47183         1.468915     -0.296411     -0.094508
     20.10367      6.92325     16.63953         0.727150     -0.080739      0.182373
     20.74496      8.05342     17.25376        -0.393353     -0.361514      0.092277
      0.84805      8.03752     17.74355        -0.719685      0.741201     -0.382577
      1.71411      9.19246     18.35138        -0.106476      0.645554      0.569693
      3.04192      9.11978     18.97729        -0.571180     -0.442280     -0.530123
      3.67445     10.21929     19.62199        -0.672403      0.468214     -0.226688
      1.16917     10.48452     18.57953         0.336306     -0.367475     -0.023622
      1.84912     11.61640     19.05644         0.118162      0.203771      0.117311
      3.12417     11.54191     19.63152        -0.181889      0.304542     -0.176777
      3.93337      7.87193     18.88522         0.201455      0.576593      0.272822
     19.80137      9.21698     17.39465         0.139354      0.208659      0.660607
      2.04608     18.16421     14.11523        -0.110560     -0.036144     -0.001922
      1.27802     19.13718     13.47437         0.091818     -0.583535     -0.355696
      1.40456     20.49575     13.77465        -0.299856     -0.739348     -0.112829
      3.01838     18.53203     15.04163        -0.421681      0.545447     -0.419585
      3.23497     19.89485     15.24191        -0.272655      0.296090      0.095716
      2.38230     20.90749     14.70237        -0.159285      0.039350      0.012940
      1.72548     16.81007     13.58127        -1.646108      2.903113     -0.672115
      0.42101     18.42617     12.45235         0.629211     -0.641102      0.458993
      2.53398      1.10257     15.00366         0.062260     -0.197142      0.181675
      1.78513      2.07021     14.30367         0.110016      1.422922     -0.062916
      2.09250      3.44068     14.49115         0.115098      0.135243      0.469262
      3.49521      1.55071     15.93842        -0.605867      0.158876     -0.045282
      3.77190      2.90362     16.14589        -0.319993      0.515951     -0.177612
      3.09856      3.85200     15.38523        -0.572054     -0.416531     -0.293348
      3.19322      5.33038     15.39319         0.401450      1.097666      0.682480
      1.40760      4.69236     14.03133        -0.783004      0.105878     -0.296444
      1.60748      7.22851     14.61263        -0.191277      0.057699     -0.251659
      0.32849      7.53788     14.10543         0.117841      0.012649      0.203114
     21.06529      8.83079     14.16143         0.060649      0.087311      0.103917
      2.25507      8.35371     15.21478        -0.066787     -0.365551     -0.263480
      1.73657      9.67382     15.19537        -0.169348     -0.138153     -0.078462
      0.42261      9.99552     14.66691         0.118859     -0.091068     -0.169498
     20.92604     11.34325     14.65432        -0.006487      0.090399     -0.041048
     19.58744     11.62332     14.14796        -0.141410      0.042568     -0.145402
     19.11775     12.94767     14.02750        -0.117079      0.292368      0.109581
      0.31385     12.53829     15.04284        -0.108564      0.022710     -0.289638
     -0.18478     13.83364     15.04455        -0.339128      0.007968     -0.141206
     19.80796     14.09141     14.50765         0.120691      0.177670      0.159661
     18.56527     10.61366     13.55056        -0.013786      0.472511      0.280158
      2.65482     10.70338     15.81234         0.610495      0.019941     -0.322616
     16.10952      0.41855      5.17312         0.113098      0.108955      0.161539
     16.93725      0.90088      6.20353        -0.159988     -0.057269     -0.193155
     17.02833      2.28070      6.48375        -0.235555     -0.646575     -0.138483
     15.27968      1.29216      4.48419         0.364974      0.044819      0.422275
     15.33874      2.65743      4.79630         0.143213     -0.176314      0.137716
     16.23104      3.20268      5.75472        -0.177049      0.194961     -0.007932
     16.35034     20.21698      4.92862         0.800516      1.110762      1.346972
     17.66235     20.97294      6.79132        -0.934655     -0.226440     -0.934280
     16.28330      4.70332      5.98667        -0.227088     -0.162069     -0.101479
     17.15826      5.30209      6.92518        -0.201249      0.657512      0.162732
     17.10927      6.69564      7.14219        -0.246866      0.152424      0.008194
     15.40002      5.58075      5.29121         0.152756      0.081477      0.131435
     15.37310      6.96813      5.48494         0.422508     -0.250462      0.287933
     16.25129      7.53096      6.40561         0.171377     -0.146670      0.288691
     16.40930      8.96247      6.83859         0.841910     -1.316798      0.713712
     17.77237      7.53950      8.20869        -1.266660      0.800157     -1.208003
     17.81624     10.11217      8.60482         0.214937     -0.243021      0.272843
     18.85026     10.00223      9.53933        -0.132967      0.029671      0.033839
     19.42109     11.12258     10.13476        -0.079296     -0.073817     -0.217727
     17.38438     11.44220      8.37772         0.117981     -0.184255      0.048216
     17.90302     12.54389      9.10391        -0.336795      0.165304      0.018495
     18.98010     12.45970     10.06210         0.191172      0.044259     -0.052690
     19.72382     13.59761     10.82641         0.368140     -0.196566      0.114111
     20.97032     13.49095     11.57059         0.102749     -0.215314     -0.046937
      0.38350     14.58924     12.13357        -0.110028      0.439403     -0.152856
     19.29311     14.94062     10.84643        -0.142830     -0.184584      0.061926
     19.98421     16.06544     11.32308        -0.121938     -0.171225      0.161051
     21.21257     15.92264     11.98342        -0.103533      0.217423     -0.048777
      0.53869     12.23767     11.77423         0.493328      0.402349      0.185414
     17.19070     13.83378      8.77265         0.124110      0.208856     -0.289789
     20.34398      1.28344      6.13816         0.014184      0.110903      0.053341
     19.79453      2.35298      5.39777         0.038720     -0.152788      0.224266
     19.83938      3.65927      5.85690        -0.029368     -0.248926     -0.163535
     20.87343      1.50616      7.40905        -0.167631      0.560728     -0.442716
     20.92972      2.83284      7.86450        -0.131614      0.166481     -0.156417
     20.45024      3.94422      7.09729         0.033705     -0.275932      0.224914
     20.13572      0.00486      5.38086        -0.488093      2.121347     -0.570843
     19.05670      1.80073      4.20949         0.905148     -0.846420      1.022682
     20.58011      5.36701      7.52876        -0.092566     -0.472281      0.414801
     20.17743      6.39563      6.66689        -0.038671      0.469737      0.141095
     20.44806      7.72183      7.00484         0.129145      0.275721      0.645977
     -0.13045      5.71936      8.78076        -0.245536      0.514431      0.066400
      0.19022      7.03688      9.10280        -0.304201      0.541115     -0.326307
     21.13178      8.03635      8.18069        -0.227414     -0.111427      0.165387
      0.07602      9.50895      8.27033        -1.049750     -0.840150     -1.487882
     20.08062      9.00174      6.34699        -0.166171      0.506214     -0.111224
     20.39074     11.48949      6.94325        -0.142452      0.026190     -0.396463
     19.53457     11.89170      5.90799         0.033969      0.288035      0.013129
     19.21599     13.23396      5.69782        -0.087633     -0.212108     -0.124492
     20.91585     12.56407      7.71266        -0.051756     -0.251602     -0.302115
     20.64535     13.92035      7.40950         0.034084      0.002864     -0.203954
     19.71139     14.35724      6.38797         0.097496      0.151801     -0.016527
     19.17862     15.80061      6.10087         0.246292     -0.015372      0.114674
     18.29810     16.22694      5.04453         0.135696      0.058971      0.015152
     17.78404     17.54131      4.94509         0.203465      0.010314     -0.103787
     19.46357     16.90303      6.95087        -0.066004      0.200475     -0.080082
     18.91118     18.18132      6.90874        -0.127878      0.040429     -0.095604
     17.98707     18.54282      5.91610         0.337104      0.022347      0.185296
     17.75662     15.29206      3.98750         0.158296      0.060583     -0.212580
      0.18371     14.90124      8.21742         0.286973      0.236424      0.179379
     12.44209      5.27331      4.07530         0.179627      0.132085      0.063714
     12.93730      3.72971     20.59581         0.148888      0.034363     -0.162423
     12.97627      6.11088     21.08577        -0.064992      0.235837     -0.032869
     12.53196      7.47469      4.40835         0.216763     -0.162051     -0.055442
     13.23773      7.94306      0.13182        -0.098531     -0.230349     -0.217814
     13.54216     10.32773      0.42017        -0.014270      0.199840     -0.402033
     13.07466     13.56661      8.47155         0.008173     -0.086756      0.517523
     12.95109     11.78813      7.10444         0.362834     -0.134883     -0.158442
     14.11336     14.24586      3.76988         0.297650     -0.013862      0.216482
     12.97968     17.13894     11.40526        -0.065730      0.068003      0.046208
     14.64028     17.78454      6.88216         0.271339     -0.365975      0.187439
     14.70747     19.55020      8.28824         0.128859     -0.067218      0.250635
     10.17914      6.86236      3.30955        -0.179788      0.194230     -0.081284
      9.45151      3.46321      6.87468         0.226352     -0.103698      0.284854
      9.57538      5.82762      7.50855         0.172940      0.208329      0.142161
     10.45862      8.73207      3.83180        -0.319029      0.055022      0.122793
      9.67784      7.73709      8.00527         0.034640     -0.296792      0.074680
      9.90910     10.09477      8.62160        -0.022321     -0.010088      0.386086
     12.29066     15.76626      2.53835        -0.109054      0.268689     -0.172030
     11.64752     13.66866      2.98964        -0.402083     -0.085296     -0.018019
     10.67192     14.87861      6.96697        -0.366758      0.134339     -0.087681
     12.84347     20.22298      1.07451         0.410399     -0.040370      0.121320
     11.66910     19.23992      5.65791        -0.104213     -0.234688     -0.163438
     11.87056      0.15615      5.09770         0.288214      0.012971     -0.129792
      9.85638      9.26461     17.27089         0.288166      0.102112      0.266144
     10.15538      7.75994     12.52398         0.162539      0.075872     -0.053584
     10.24647     10.13134     13.01258         0.010537      0.151779      0.210500
      9.93732     11.39583     17.67212         0.236211     -0.190200      0.054878
     10.54435     12.05024     13.40655        -0.036930     -0.272216     -0.232101
     10.78861     14.43725     13.78938        -0.024032      0.111848     -0.350700
      9.63601     17.68290      0.45488        -0.268287      0.209956      0.130765
      9.97384     15.85012     20.50659         0.039003     -0.000918     -0.322556
     10.95291     18.31783     17.10329         0.523013      0.079186      0.279421
      9.48505      0.04653      3.44121        -0.508733     -0.088274     -0.252159
     11.09426      0.78166     20.26473         0.101221     -0.201471     -0.285788
     10.47411      2.61777      0.15765        -0.075980     -0.175184      0.313281
      7.64194     10.63649     16.04451        -0.415404      0.216922     -0.100280
      6.96375      7.25236     19.65089         0.262935     -0.028446      0.083369
      7.01143      9.61121     20.23720         0.189801      0.227338      0.092125
      7.77092     12.71107     16.59977        -0.311753     -0.074955     -0.079518
      6.85829     11.47021     20.67571         0.194189     -0.206833     -0.001992
      6.89470     13.77628      0.14342         0.324957     -0.056307      0.099716
      9.46148     19.87466     16.01249        -0.274107      0.387357     -0.308856
      8.79141     17.73470     16.21138        -0.302383      0.005386      0.013603
      7.15929     18.79770     20.01455        -0.504885      0.056970     -0.054299
      9.58559      2.96783     14.30144         0.507130     -0.297111     -0.159764
      8.48055      2.04884     18.93932        -0.385561     -0.182544     -0.238178
      8.91265      4.21769     18.35196         0.235690     -0.076865     -0.307477
      6.80711     13.01662      8.76953         0.019342      0.081656      0.037559
      7.54171     11.34423      4.08577        -0.039157      0.096609     -0.101688
      7.77973     13.72629      4.57117        -0.065036      0.199401      0.053249
      6.82205     15.16856      9.06500         0.097919     -0.150946      0.089490
      8.03856     15.56771      4.89472        -0.145451     -0.188824     -0.038496
      8.11411     17.96046      5.11886        -0.227581      0.043755     -0.208540
      6.22368      0.26062     12.77251         0.217664      0.161239      0.587669
      6.74421     19.60687     11.65079         0.111182      0.224167     -0.126871
      8.15345      0.80017      8.40155         0.227164     -0.079763      0.467521
      6.52164      3.83472     16.02696        -0.314658      0.081697     -0.234444
      8.24881      4.51828     11.58405         0.298920     -0.033487     -0.120367
      7.90357      6.32982     12.80525         0.033568      0.030191      0.417358
      3.57566     14.43293      9.06832         0.015173      0.018371     -0.039463
      4.56999     11.28478     12.84881         0.066997     -0.078674      0.187493
      4.67350     13.69790     13.22785         0.051430      0.197738     -0.002983
      3.93640     16.36489      9.30955        -0.091435      0.068255      0.056427
      4.68582     15.64756     13.55732         0.256139     -0.317410     -0.146701
      5.08729     18.03356     13.87444         0.088805     -0.116152      0.063393
      5.42195      2.29461      7.42870         0.177329      0.167933      0.008282
      4.91876      0.20071      8.04540        -0.229384      0.002314      0.253055
      4.34952      1.56734     12.07361        -0.482503      0.135313     -0.045772
      6.84699      6.65456      5.94561         0.272304     -0.174129      0.133486
      5.46610      5.95422     10.50953         0.038287     -0.298957     -0.050525
      5.94278      8.02559      9.91216         0.283355     -0.011329     -0.164151
      2.11182     16.46740      3.26184         0.086692      0.179340      0.312746
      0.41516     14.90310     20.05201        -0.084340      0.004628      0.189874
      0.49552     17.25684     20.55000        -0.153012      0.242655      0.040637
      1.83506     18.74822      3.61524         0.000790     -0.206671      0.154408
      0.26738     18.98867     20.78897        -0.005751     -0.319948     -0.008176
      0.02728      0.13656     20.99537        -0.079180     -0.153439     -0.146583
      2.49344      3.80342      6.98978         0.123599      0.252026      0.116146
      2.32120      2.02311      5.82391        -0.123324      0.230239     -0.314021
      0.63536      4.31706      2.59403        -0.149885      0.038474      0.232678
      3.68125      7.55358      9.53852        -0.419754      0.034282     -0.220212
      1.76583      8.35370      5.15415        -0.278830     -0.040351     -0.622601
      2.49136     10.14062      6.32543        -0.076773      0.018904      0.101704
      3.35071     17.05715     20.95127         0.087384      0.233657     -0.338398
      5.98468     13.80498      2.40216        -0.136765      0.005171      0.123740
      6.05601     16.14478      2.98394        -0.152244      0.236068      0.027911
      3.41442     19.28019      0.38742         0.044647     -0.062750     -0.254811
      6.16155     17.98415      3.52254        -0.100007     -0.304308     -0.065273
      6.39855     20.27155      4.29291        -0.068731     -0.194664      0.029870
      1.89301      5.39160      0.55549        -0.153242      0.280879     -0.331662
      2.45092      3.31210      0.49248         0.307958     -0.016908      0.157932
      4.87648      3.92232      3.95595         0.259095      0.046903     -0.175582
      1.37788     10.28105     21.21818        -0.318932     -0.014660      0.401913
      4.35286      8.82462      3.53786         0.401193     -0.067651     -0.374494
      3.71499     10.96228      3.54140         0.277055      0.417551     -0.098848
     20.42520     19.52855     14.86550        -0.314331      0.046315      0.163031
     16.61871     17.81531     12.08773        -0.288066     -0.079448     -0.181483
     16.91226     20.21564     12.37503         0.011073      0.182183     -0.083704
     20.65884      0.32652     15.06533        -0.133229     -0.101121      0.155877
     16.95828      0.85226     12.83705        -0.036408     -0.061547     -0.125973
     16.97570      3.25052     13.32517        -0.115450      0.123646     -0.196646
      2.44618      6.69324     17.30624        -0.249554      0.010272      0.712589
      1.32895      4.68199     17.10743        -0.129977      0.194872     -0.002422
     19.22905      7.08812     16.02166        -0.388815      0.051766      0.457251
      4.55460     10.03746     20.20947         0.471906     -0.133202     -0.044637
      0.16083     10.74220     18.32115        -0.145803     -0.227724     -0.170842
      1.31028     12.56366     18.90499         0.348146     -0.297830      0.361624
      0.71398     21.17183     13.27538         0.168166      0.196996     -0.052447
      3.66383     17.79999     15.49531         0.201526     -0.332436      0.289962
      4.15731     20.16571     15.75069        -0.157758      0.194151      0.389050
      0.95158      1.82230     13.64362         0.234485     -0.033793     -0.082444
      4.18509      0.83862     16.37503        -0.354623     -0.165406      0.419742
      4.60977      3.22859     16.74647        -0.175258     -0.010047      0.514321
     20.05199      8.86646     13.81089        -0.070111      0.057407      0.012728
     20.87282      6.77740     13.79800         0.371323     -0.133020     -0.306563
      3.10464      8.16842     15.86937         0.344833      0.130946     -0.580728
     18.22366     13.11650     13.43069        -0.094117     -0.080695      0.412324
      1.36103     12.57918     15.24738         0.062288     -0.290016     -0.068830
      0.52118     14.61640     15.31771        -0.320806      0.034873      0.101751
     17.76535      2.61402      7.20419        -0.052656      0.068950      0.340756
     14.59339      0.88955      3.74922         0.099744      0.103193     -0.157335
     14.64195      3.29895      4.26798         0.187169      0.201287     -0.025030
     17.88627      4.72381      7.48575        -0.089219     -0.153531      0.181506
     14.68881      5.19726      4.56566         0.024959     -0.206323     -0.035018
     14.66555      7.59792      4.96210        -0.046425      0.033858     -0.195219
     20.33897     10.83351     10.59147         0.039832      0.269261      0.364509
     19.30516      9.03687      9.78450        -0.263010      0.220262     -0.116085
     16.67394     11.63778      7.57621        -0.060409     -0.018897      0.296290
      1.25247     14.43706     12.77016        -0.098704     -0.199668     -0.455446
     18.35711     15.19564     10.39347        -0.321992      0.016193     -0.015373
     19.49630     17.01872     11.12197         0.341994      0.065548      0.139257
     19.35087      4.42532      5.25222         0.128011     -0.037373      0.020891
     21.20129      0.67750      8.02948         0.158597     -0.071814      0.074691
      0.13917      2.98973      8.83548        -0.161928      0.132599      0.029986
     19.71321      6.17192      5.71641        -0.165867      0.063535      0.058916
      0.15283      4.98244      9.51168        -0.359297     -0.334694      0.208163
      0.67682      7.30437     10.03579         0.020433     -0.091881      0.225062
     18.48495     13.31734      4.91993        -0.034944      0.201752      0.001497
     19.04012     11.17870      5.25165         0.177603     -0.058475      0.133097
      0.24647     12.33374      8.59659         0.236458      0.121780     -0.308445
     17.10250     17.72287      4.12420         0.171030      0.153942     -0.067433
     20.12269     16.83965      7.78801         0.175895     -0.239849     -0.149647
     19.24601     18.89156      7.66627        -0.173617     -0.089191     -0.094509
     13.98733     19.33992     10.74573        -0.068585     -0.287486     -0.168077
     18.81787     21.01033      3.73291         0.122317     -0.182748     -0.373628
     12.64879      1.21355      2.68070         0.054631     -0.434522      0.072493
     13.59871     11.60788      4.43561        -0.155497      0.252779      0.329541
      9.67224      2.64416      2.83233        -0.081996      0.002732     -0.211918
     10.57954     12.68259      5.34553         0.059408      0.358501      0.053741
      9.79229      5.20070     15.88896         0.156234     -0.298387     -0.017293
     10.62724     15.63290     17.81300        -0.061527      0.797575      0.406232
      6.94994      6.45801     15.52178         0.269749     -0.163050     -0.645759
      7.51053     16.60544     18.33244        -0.136672      0.300983     -0.058836
      6.60299      8.97152      7.42846         0.207913     -0.351951      0.042795
      7.49527     19.39034      9.05324         0.112822      0.352809      0.349383
      3.49853     10.18736      8.92052        -0.118449     -0.208386     -0.414121
      4.27839     20.49908     10.58442        -0.115991     -0.260290      0.074211
      2.09561     12.39409      1.64573         0.002952     -0.658246      0.372361
      1.27010      1.70744      3.38053        -0.118122     -0.103567     -0.131756
      3.71903     12.75481     20.28484        -0.643554     -0.491040     -0.662258
      4.17579      1.88531      2.17200        -0.018868      0.468629     -0.229538
     19.35231     15.45108     14.30909        -0.122875     -0.380599      0.201718
     20.07052      4.47526     15.96871         0.340431      0.039770      0.237422
      0.70488     17.01392     12.57436        -0.064749     -0.448844      0.108053
      2.09961      5.84846     14.60385         0.152854     -0.074253      0.095268
     17.35590     19.84729      5.89266         0.244291     -0.591248     -0.022841
     17.37655      8.93386      7.89826        -0.097368      0.188177      0.287389
     19.34604      0.42023      4.28017        -0.190756     -0.066908     -0.349104
     20.63441     10.08537      7.14978         0.112444     -0.040858      0.065633
     12.26123      2.29617      4.77736         0.120486      0.030611      0.025234
     13.23605      0.96884      0.41812         0.582484     -0.611151     -1.131727
     13.17509      9.91977      6.05602        -0.164899     -0.345175      0.441407
     13.74641     12.62689      2.32831         0.454383      2.347624     -1.843199
      9.89779      4.49659      1.36054        -0.122156      0.327996     -0.639894
      9.34465      1.44612      4.83847        -0.067309     -0.060006      0.425153
     10.65220     11.63328      3.20257        -0.199140     -0.024647      0.777195
     10.25497     12.91306      7.67544        -0.219890      0.912567      1.494549
      9.63340      6.34047     17.99443         0.127251     -0.064376      0.905192
     10.40741      4.89431     13.60779        -0.144224      1.095573      1.179654
     10.24918     13.92328     19.40974         0.093620     -0.386853      0.600405
     10.87439     16.68054     15.73662         0.332352      1.169417     -1.103036
      7.22972      8.33160     14.06834        -0.128552     -0.069271      0.097438
      6.65084      5.22962     17.50865        -0.194896     -0.927556      0.862758
      7.88879     15.70296     16.15030        -0.368889     -0.148949      0.436077
      7.10305     16.68300     20.65107        -0.216966      0.542937      1.100248
      6.48718     10.12367      9.51595         0.115666      0.020696      0.653016
      7.08433      8.60954      5.15731         0.113009     -0.043240     -0.534904
      6.99081     17.71148     10.66530         0.010897     -0.512090      1.464714
      8.03874     20.36117      6.98138        -0.040714      0.358583     -0.533174
      3.07491     11.97236      7.40624        -0.133610      0.271766     -0.662164
      3.98485      9.07066     10.94836         0.054737     -0.647517      0.623228
      4.22716     19.33700      8.48898        -0.225053     -0.063016      1.073714
      4.44964     20.74429     12.94168        -0.157034     -1.424717     -1.805805
      2.97640     13.36455      3.62816         1.355548     -0.175780      2.339397
      0.51059     12.19256     21.15576        -0.105378      0.314302      0.276213
      2.15686      0.13619      4.96471         0.577359     -0.319168      0.987403
      0.33106      2.53667      1.39949        -0.458563      0.343000     -0.609965
      2.75983     14.55270     19.02644        -0.497513      0.343177     -1.001641
      5.01702     11.65777      0.62949         0.425662     -0.589297      0.447562
      2.99174      1.10413      0.25161        -0.267050      0.093953     -0.629781
      5.74417      1.87248      3.92848         0.313323      0.037348      0.304087
     -0.25763     16.67072     15.52771        -0.706574      0.000310     -0.302879
     17.43641     15.05838     12.99511        -1.805281     -1.380587     -0.796520
      0.26967      2.73469     16.70358        -0.226516     -0.006556      0.157757
     18.38336      5.55344     14.71399        -0.622798      0.762219     -0.276342
     20.89992     18.88248     11.65051        -0.426356      0.596255     -0.673956
      2.15855     15.76270     13.93256         1.259188     -2.374987      0.962359
      0.36110      4.74698     13.38357         0.728616      0.031119      0.087390
      3.99081      6.03584     16.03896        -0.918935     -1.021936     -1.168518
     18.31057     20.90431      7.81222         0.234391      0.021452      0.340325
     15.86958     19.48827      4.09390        -0.434617     -0.314914     -0.684337
     18.38959      7.18228      9.17684         0.299012     -0.359022      0.805931
     15.85739      9.95768      6.43486        -0.250693      0.577705     -0.547504
     18.32805      2.32685      3.39826        -0.260058      0.442072     -0.500682
     20.54702     20.14567      5.54590         0.466745     -1.196538      0.387319
     19.39235      9.14816      5.34764         0.020070     -0.073212      0.102873
      0.68141     10.12929      9.10000         0.677874      0.474258      0.872443
     13.76765     17.58115      5.29047         0.102658     -0.105218      0.231806
     15.70476     16.68801      5.57293         0.289208     -0.208020      0.067791
     14.56509     16.39215      3.72549         0.333312     -0.458639     -0.447989
     11.97362     15.27184     11.36292         0.062250      0.221540      0.033584
     11.45037     14.57845      9.38598        -0.299490      0.047014     -0.133907
     13.32851     13.94572     10.31921         0.311019     -0.217395      0.366076
     11.88308     18.15413      7.23219         0.573752     -0.045923      0.015685
      9.95312     18.39856      6.36867         0.034363      0.117914     -0.125529
     10.33726     16.80987      7.83513        -0.234123     -0.137784     -0.112563
     13.05590     18.34605      0.08345        -0.079842      0.252243      0.123615
     13.94524     16.89987      1.40570         0.430420      0.123378      0.350974
     11.85955     16.75635      0.95260        -0.316726      0.017267     -0.236273
     10.27984      0.32422     18.61855         0.222586      0.104961      0.046134
     12.37594     -0.16494     18.84402         0.559178     -0.211263      0.238610
     11.30951     20.59919     17.03124         0.493915     -0.657627     -0.209731
      9.05942     19.27703      3.58577        -0.396920      0.128829     -0.224996
      8.04868     18.61353      1.74191        -0.300369      0.243438     -0.146753
     10.05150     18.00088      2.19841        -0.026163     -0.362669     -0.002892
      8.04147      0.76009     20.39845         0.185093      0.212089      0.100499
      6.28483      1.13129     19.18059        -0.334407     -0.083274     -0.209627
      6.31352     20.79350     20.68087        -0.347449     -0.260351     -0.114924
      9.28407      0.98609     13.30289         1.046375     -0.070131      0.569400
     10.64367     21.08498     14.65106        -0.197100      0.648296     -0.356419
      8.61431     20.41064     14.22467         0.657947      1.373849      0.493451
      7.80084      4.07015      9.86017         0.231927     -0.008655     -0.064094
      9.74804      3.30079     10.40470         0.570618     -0.137538      0.325544
      8.85399      2.82498      8.49013         0.509637     -0.418437     -0.401321
      6.06242      1.84726     16.08191         0.493272     -0.196535     -0.294638
      5.01366      1.59012     14.13752         0.214195     -0.307092     -0.029104
      6.76585      0.50058     14.61018         0.796140     -0.874619      0.078716
      5.60053      4.94511     11.94092        -0.167446      0.152401      0.166497
      3.45679      4.90658     11.86228        -0.320797     -0.251810     -0.595911
      4.44744      3.44809     12.96755         0.255288     -0.445024      0.080050
      7.07047      4.43313      5.11612        -0.193710      0.390695      0.214991
      7.18299      2.94100      6.63159         0.077372     -0.075557      0.353083
      5.23146      3.57274      5.95501        -0.284292     -0.236940     -0.147594
     -0.22553      7.28189      4.50866        -0.406965     -0.077195      0.145535
      1.57661      7.59564      3.46327        -0.077890     -0.133670     -0.123522
      0.00617      6.38359      2.59319        -0.549869     -0.595521      0.156293
      3.40110      5.49174      9.72918        -0.387065      0.223620     -0.327322
      1.93810      4.42305      8.64151        -0.064079      0.218247      0.103334
      3.88196      4.65641      7.74698        -0.514869      0.402196      0.005585
      5.87965      7.11696      3.47525         0.215692     -0.215940      0.016018
      4.02888      7.39543      4.63270        -0.127270      0.218838     -0.264085
      5.13613      5.70480      5.01325         0.535098     -0.512396      0.530327
      0.91231      8.20493     20.27508        -0.554526      0.602730      0.089838
      2.58032      6.91802     -0.46209        -0.404541      0.026194     -0.550333
      0.61201      6.83253      0.54041         0.190209     -0.135952     -0.041991
     19.58712      9.48677     18.72121        -0.025662     -0.000707      0.558071
     20.23041     10.40255     16.85732        -0.176284      0.049692      0.007130
     18.58957      9.01861     16.86858        -0.764751     -0.360433     -0.284825
      4.81239      7.87348     19.94688        -0.027913      0.056413     -0.206286
      3.46969      6.60629     18.86859         0.382719     -0.205241     -0.182442
      4.61241      7.96557     17.69429        -0.055370      0.356436      0.204286
      3.25660     11.49811     14.85909         0.269454     -0.092614     -0.581863
      2.03803     11.58717     16.60935         0.073045      0.288980      0.480408
      3.69414     10.21483     16.55708        -0.022379     -0.217534     -0.573305
     17.44515     11.22292     13.05255         0.077548      0.147593      0.005033
     19.02523      9.84130     12.53174         0.053693     -0.037992     -0.565273
     18.11009      9.72870     14.46552        -0.193198     -0.208980      0.679980
     16.47727     14.30588      9.83122        -0.410800     -0.025604      0.381972
     18.02072     14.86185      8.40769         0.068396      0.063727      0.111594
     16.33259     13.73729      7.72518        -0.239118     -0.252636     -0.035513
      1.53633     12.39833     12.71231        -0.046653     -0.033685     -0.341674
     21.13212     11.13468     12.17388         0.312867     -0.315608     -0.039684
      1.18745     11.88889     10.63847         0.114155      0.246667     -0.287103
      0.91355     15.75880      7.44738         0.427579     -0.041012     -0.560295
     20.68678     15.71855      8.99956         0.058606      0.024031      0.124905
      1.05962     14.35241      9.10718         0.282723     -0.417049     -0.354741
     17.03514     15.88921      3.00452         0.213596      0.265769     -0.136725
     18.75826     14.61563      3.35127         0.313243     -0.017262     -0.461684
     16.91235     14.33566      4.50125        -0.270441      0.022739      0.074619
 -----------------------------------------------------------------------------------
    total drift:                                0.005096     -0.014393     -0.020742


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4548.3308430339 eV

  energy  without entropy=    -4548.4807807301  energy(sigma->0) =    -4548.38082227
 
 d Force = 0.3758005E+01[ 0.757E-01, 0.744E+01]  d Energy = 0.3768390E+01-0.104E-01
 d Force = 0.2286873E+04[ 0.225E+04, 0.232E+04]  d Ewald  = 0.2286909E+04-0.363E-01


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -3.768390  1 .order   -3.758005   -7.440298   -0.075712
  (g-gl).g = 0.202E+02      g.g   = 0.202E+02  gl.gl    = 0.254E+02
 g(Force)  = 0.202E+02   g(Stress)= 0.000E+00 ortho     =-0.274E-01
 gamma     =   0.79457
 trial     =   0.36797
 opt step  =   0.37175  (harmonic =   0.37175) maximal distance =0.08536738
 next E    = -4548.320847   (d E  =  -3.75839)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   27(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3232
 total energy-change (2. order) : 0.2019024E-03  (-0.2661651E-01)
 number of electron    2498.0000137 magnetization 
 augmentation part      162.9492279 magnetization 

  free energy =  -0.454833063271E+04  energy without entropy=  -0.454848053147E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   27(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) :-0.5790258E-03  (-0.7167309E-03)
 number of electron    2498.0000137 magnetization 
 augmentation part      162.9503334 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8278
  0.8278

  free energy =  -0.454833121174E+04  energy without entropy=  -0.454848111204E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   27(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3600
 total energy-change (2. order) : 0.9125302E-05  (-0.1379513E-04)
 number of electron    2498.0000137 magnetization 
 augmentation part      162.9496319 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3438
  1.1891  1.4985

  free energy =  -0.454833120261E+04  energy without entropy=  -0.454848110419E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   27(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3312
 total energy-change (2. order) :-0.2279138E-04  (-0.1051912E-04)
 number of electron    2498.0000137 magnetization 
 augmentation part      162.9497436 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2704
  2.1334  0.9212  0.7567

  free energy =  -0.454833122540E+04  energy without entropy=  -0.454848112225E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   27(   5)  ---------------------------------------



 eigenvalue-minimisations  :  2424
 total energy-change (2. order) :-0.5524780E-05  (-0.2307814E-05)
 number of electron    2498.0000137 magnetization 
 augmentation part      162.9497436 magnetization 

  free energy =  -0.454833123093E+04  energy without entropy=  -0.454848112784E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.9599       2 -56.1584       3 -56.0506       4 -55.7530       5 -55.7811
       6 -56.2781       7 -58.0553       8 -58.3043       9 -56.2671      10 -55.9930
      11 -56.0388      12 -55.7722      13 -55.7159      14 -55.9144      15 -58.0819
      16 -58.0897      17 -56.2620      18 -54.8767      19 -54.7058      20 -55.1489
      21 -55.6035      22 -55.5714      23 -55.6640      24 -55.6220      25 -55.0377
      26 -54.7210      27 -54.9028      28 -54.9976      29 -60.4120      30 -60.3699
      31 -55.6009      32 -55.8271      33 -55.7162      34 -55.2050      35 -55.4710
      36 -55.9550      37 -57.7925      38 -58.1161      39 -56.0559      40 -55.7900
      41 -55.9410      42 -55.6978      43 -55.7179      44 -55.8675      45 -58.1371
      46 -58.1797      47 -56.4679      48 -55.1146      49 -54.9036      50 -55.3025
      51 -55.8770      52 -55.7931      53 -55.7109      54 -55.7680      55 -55.1236
      56 -54.7549      57 -54.9288      58 -56.3182      59 -60.4203      60 -60.5906
      61 -55.9550      62 -56.0582      63 -55.9199      64 -55.7218      65 -55.7564
      66 -56.2107      67 -57.9377      68 -58.2543      69 -56.2066      70 -55.9154
      71 -56.0434      72 -55.7081      73 -55.6276      74 -55.8748      75 -58.0545
      76 -58.2369      77 -56.4402      78 -55.0321      79 -54.8557      80 -55.3299
      81 -55.7853      82 -55.7980      83 -55.7902      84 -55.8297      85 -55.0470
      86 -54.9305      87 -55.0647      88 -56.3818      89 -60.6538      90 -60.4393
      91 -55.6479      92 -55.7722      93 -55.6573      94 -55.3746      95 -55.4765
      96 -55.9579      97 -57.8777      98 -58.0267      99 -56.0628     100 -55.8631
     101 -55.9878     102 -55.5486     103 -55.5867     104 -55.8612     105 -58.1014
     106 -58.2396     107 -56.4358     108 -55.0241     109 -54.8741     110 -55.2984
     111 -55.7826     112 -55.7124     113 -55.7436     114 -55.8966     115 -55.2184
     116 -54.8841     117 -55.0208     118 -56.3812     119 -60.4796     120 -60.4474
     121 -55.8819     122 -55.9764     123 -55.8466     124 -55.7216     125 -55.7393
     126 -56.1266     127 -57.9876     128 -58.2059     129 -56.0232     130 -55.7239
     131 -55.8423     132 -55.5681     133 -55.4904     134 -55.7465     135 -57.8540
     136 -58.0910     137 -56.3174     138 -54.9483     139 -54.7932     140 -55.1899
     141 -55.7056     142 -55.8163     143 -55.7830     144 -55.7311     145 -55.1147
     146 -54.9094     147 -55.0747     148 -56.3718     149 -60.4856     150 -60.4690
     151 -55.5825     152 -55.6832     153 -55.5462     154 -55.3472     155 -55.4340
     156 -55.8676     157 -57.8548     158 -57.9497     159 -55.9645     160 -55.7360
     161 -55.9437     162 -55.5472     163 -55.5861     164 -55.8211     165 -58.0185
     166 -58.1822     167 -56.5053     168 -55.1328     169 -54.8862     170 -55.3279
     171 -55.9190     172 -55.9193     173 -55.8207     174 -55.6982     175 -55.1362
     176 -54.6422     177 -54.8791     178 -56.2373     179 -60.4430     180 -60.4978
     181 -55.8958     182 -56.1256     183 -55.9518     184 -55.6798     185 -55.6793
     186 -56.2205     187 -57.8910     188 -58.3395     189 -56.2109     190 -55.8547
     191 -56.0064     192 -55.7551     193 -55.6741     194 -55.8901     195 -58.0009
     196 -58.2773     197 -56.3691     198 -54.8994     199 -54.8094     200 -55.2280
     201 -55.7907     202 -55.8419     203 -55.8203     204 -55.7988     205 -55.1985
     206 -55.0319     207 -55.0735     208 -56.3903     209 -60.6619     210 -60.4246
     211 -55.9662     212 -56.1393     213 -55.9296     214 -55.7525     215 -55.7334
     216 -56.2291     217 -58.0910     218 -58.4039     219 -56.1323     220 -55.8038
     221 -55.9219     222 -55.6029     223 -55.4810     224 -55.7675     225 -57.8945
     226 -58.2105     227 -56.3340     228 -54.8867     229 -54.8777     230 -55.0569
     231 -55.6125     232 -55.8551     233 -55.9074     234 -55.5125     235 -55.1501
     236 -54.9265     237 -55.0903     238 -56.4004     239 -60.2658     240 -60.3258
     241 -55.8974     242 -55.9711     243 -55.8461     244 -55.6916     245 -55.7343
     246 -56.1507     247 -58.0800     248 -58.1247     249 -56.1843     250 -55.8943
     251 -56.0305     252 -55.7349     253 -55.7327     254 -55.9310     255 -58.0440
     256 -58.1318     257 -56.3894     258 -55.0754     259 -54.8425     260 -55.1922
     261 -55.7502     262 -55.8109     263 -55.8688     264 -55.8679     265 -55.3990
     266 -54.9099     267 -55.1543     268 -56.4439     269 -60.5194     270 -60.3272
     271 -55.8244     272 -55.9090     273 -55.7187     274 -55.6657     275 -55.6509
     276 -55.9975     277 -58.1439     278 -58.1316     279 -55.7573     280 -55.5946
     281 -55.6943     282 -55.3496     283 -55.2581     284 -55.6248     285 -57.9367
     286 -58.0285     287 -56.5551     288 -55.0916     289 -54.9167     290 -55.4052
     291 -55.8235     292 -55.7992     293 -55.7748     294 -55.7728     295 -55.1105
     296 -54.7901     297 -54.9048     298 -56.3388     299 -60.4328     300 -60.5438
     301 -55.8385     302 -55.9825     303 -55.8257     304 -55.5534     305 -55.6055
     306 -56.0778     307 -58.0554     308 -58.2500     309 -56.1221     310 -55.8018
     311 -55.9679     312 -55.6610     313 -55.6198     314 -55.8556     315 -57.9439
     316 -58.1605     317 -56.3426     318 -54.9376     319 -54.7974     320 -55.1702
     321 -55.7168     322 -55.7755     323 -55.8041     324 -55.7966     325 -55.1080
     326 -54.9986     327 -55.1315     328 -56.4316     329 -60.5099     330 -60.3152
     331 -55.7475     332 -55.7867     333 -55.6340     334 -55.5788     335 -55.5673
     336 -55.9675     337 -57.9383     338 -57.9309     339 -55.8026     340 -55.5292
     341 -55.6783     342 -55.4087     343 -55.4109     344 -55.6265     345 -57.8902
     346 -57.9108     347 -56.3468     348 -54.8618     349 -54.7735     350 -55.2627
     351 -55.7098     352 -55.7439     353 -55.6841     354 -55.5826     355 -55.0796
     356 -54.6502     357 -54.8446     358 -56.2556     359 -60.3388     360 -60.4377
     361 -39.1471     362 -38.8218     363 -38.9775     364 -39.1452     365 -38.9926
     366 -38.8455     367 -38.2438     368 -38.0484     369 -38.1442     370 -38.1827
     371 -38.1764     372 -38.1486     373 -38.9360     374 -38.4237     375 -38.6886
     376 -38.9086     377 -38.8907     378 -38.8895     379 -38.2474     380 -38.1479
     381 -38.2132     382 -38.0099     383 -38.1748     384 -37.9820     385 -38.9907
     386 -38.7259     387 -38.8618     388 -38.9995     389 -38.8770     390 -38.6610
     391 -38.3213     392 -38.1270     393 -38.2549     394 -37.9788     395 -38.2532
     396 -38.1918     397 -38.8349     398 -38.3963     399 -38.6904     400 -38.9190
     401 -38.6629     402 -38.8181     403 -38.2006     404 -38.0762     405 -38.2613
     406 -38.1053     407 -38.0442     408 -37.9424     409 -38.8698     410 -38.7999
     411 -38.9560     412 -38.8175     413 -38.8336     414 -38.5783     415 -38.1902
     416 -38.1376     417 -38.0040     418 -38.1316     419 -38.1944     420 -38.1419
     421 -38.6708     422 -38.3915     423 -38.5676     424 -38.7669     425 -38.6938
     426 -38.7423     427 -38.1728     428 -38.0532     429 -38.2787     430 -38.0977
     431 -38.1242     432 -37.9443     433 -38.9822     434 -38.6715     435 -39.0142
     436 -38.8889     437 -38.9964     438 -38.7010     439 -38.4529     440 -37.9966
     441 -38.1524     442 -38.1621     443 -38.3747     444 -38.0999     445 -38.9593
     446 -38.8623     447 -38.8749     448 -38.8406     449 -38.7285     450 -38.3825
     451 -38.1139     452 -37.8363     453 -38.0842     454 -38.0650     455 -38.0905
     456 -38.1585     457 -38.9181     458 -38.7888     459 -38.8985     460 -39.0007
     461 -38.9115     462 -38.7772     463 -38.0915     464 -38.1691     465 -38.1622
     466 -38.4899     467 -38.1749     468 -38.0877     469 -38.9675     470 -38.9571
     471 -38.7303     472 -38.7654     473 -38.5196     474 -38.3144     475 -38.2623
     476 -38.0758     477 -38.3092     478 -38.0191     479 -38.2111     480 -37.9575
     481 -38.9290     482 -38.7308     483 -38.8358     484 -38.9212     485 -38.8633
     486 -38.7977     487 -38.2327     488 -38.0871     489 -38.0303     490 -38.1510
     491 -38.2125     492 -38.2554     493 -38.8287     494 -38.6203     495 -38.6508
     496 -38.7424     497 -38.6115     498 -38.5021     499 -38.0922     500 -37.8675
     501 -38.1879     502 -38.0264     503 -38.0607     504 -37.8446     505 -38.2456
     506 -41.0005     507 -71.5257     508 -71.3589     509 -71.3927     510 -71.5361
     511 -71.3699     512 -71.4857     513 -71.3357     514 -71.5069     515 -71.4238
     516 -71.2503     517 -71.2678     518 -71.5791     519 -71.3928     520 -71.4767
     521 -71.4903     522 -71.3902     523 -71.4679     524 -71.3725     525 -71.4663
     526 -71.4484     527 -71.4540     528 -71.3504     529 -71.0122     530 -71.3339
     531 -76.9766     532 -76.8067     533 -76.8203     534 -76.9783     535 -76.8601
     536 -76.5213     537 -76.8096     538 -76.9850     539 -77.0368     540 -76.4833
     541 -76.9376     542 -76.8495     543 -76.7414     544 -76.6994     545 -76.9031
     546 -76.9084     547 -76.9697     548 -76.7607     549 -76.9561     550 -76.5832
     551 -76.7279     552 -76.6456     553 -76.7689     554 -76.6298     555 -77.1800
     556 -76.6277     557 -77.1126     558 -76.7830     559 -77.1790     560 -76.8510
     561 -76.9700     562 -76.6061     563 -76.7368     564 -76.9182     565 -76.8453
     566 -76.8036     567 -76.8283     568 -77.0869     569 -76.6690     570 -76.5587
     571 -77.0034     572 -76.8409     573 -76.9366     574 -76.7048     575 -76.6595
     576 -76.7156     577 -76.5589     578 -76.6757     579 -82.3409     580 -82.3827
     581 -82.5221     582 -82.3381     583 -82.3498     584 -82.3497     585 -82.4908
     586 -82.5081     587 -82.4715     588 -82.2136     589 -82.1605     590 -82.3786
     591 -82.4270     592 -82.3000     593 -82.4781     594 -82.5033     595 -82.5336
     596 -82.7647     597 -82.4294     598 -82.3461     599 -82.3975     600 -82.4296
     601 -82.2930     602 -81.6929     603 -82.5162     604 -82.3962     605 -82.7098
     606 -82.2151     607 -82.3362     608 -82.8419     609 -82.6047     610 -82.0364
     611 -82.4505     612 -82.3163     613 -82.2258     614 -82.3807     615 -82.4192
     616 -82.4753     617 -82.4703     618 -82.6942     619 -82.7391     620 -82.6763
     621 -82.2537     622 -82.2748     623 -82.6853     624 -82.3269     625 -82.5539
     626 -82.0992     627 -82.0800     628 -82.3364     629 -82.4228     630 -82.3698
     631 -82.4078     632 -82.3457     633 -82.3251     634 -82.6733     635 -82.4271
     636 -82.2372     637 -82.4038     638 -82.3052     639 -82.2754     640 -82.2125
     641 -82.2833     642 -82.2839     643 -82.6657     644 -82.4434     645 -82.3416
     646 -82.4542     647 -82.4518     648 -82.3037     649 -82.2656     650 -82.2700
 
 
 
 E-fermi :  -1.3354     XC(G=0):  -6.4126     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.2599      2.00000
      2     -29.1804      2.00000
      3     -29.1527      2.00000
      4     -29.1329      2.00000
      5     -29.0866      2.00000
      6     -29.0765      2.00000
      7     -29.0557      2.00000
      8     -29.0168      2.00000
      9     -29.0121      2.00000
     10     -29.0096      2.00000
     11     -29.0005      2.00000
     12     -28.9715      2.00000
     13     -28.9284      2.00000
     14     -28.9054      2.00000
     15     -28.8143      2.00000
     16     -28.7982      2.00000
     17     -28.7810      2.00000
     18     -28.7777      2.00000
     19     -28.7448      2.00000
     20     -28.7161      2.00000
     21     -28.7115      2.00000
     22     -28.6840      2.00000
     23     -28.6520      2.00000
     24     -28.3200      2.00000
     25     -26.9922      2.00000
     26     -26.8955      2.00000
     27     -26.8342      2.00000
     28     -26.7707      2.00000
     29     -26.7497      2.00000
     30     -26.7435      2.00000
     31     -26.7278      2.00000
     32     -26.7225      2.00000
     33     -26.7159      2.00000
     34     -26.7079      2.00000
     35     -26.6936      2.00000
     36     -26.6801      2.00000
     37     -26.6055      2.00000
     38     -26.5670      2.00000
     39     -26.5624      2.00000
     40     -26.5170      2.00000
     41     -26.5153      2.00000
     42     -26.5139      2.00000
     43     -26.5065      2.00000
     44     -26.5055      2.00000
     45     -26.5036      2.00000
     46     -26.5013      2.00000
     47     -26.4523      2.00000
     48     -26.4490      2.00000
     49     -26.4396      2.00000
     50     -26.4321      2.00000
     51     -26.4281      2.00000
     52     -26.4261      2.00000
     53     -26.4191      2.00000
     54     -26.4072      2.00000
     55     -26.4039      2.00000
     56     -26.3880      2.00000
     57     -26.3842      2.00000
     58     -26.3758      2.00000
     59     -26.3736      2.00000
     60     -26.3529      2.00000
     61     -26.3511      2.00000
     62     -26.3456      2.00000
     63     -26.3277      2.00000
     64     -26.3252      2.00000
     65     -26.2985      2.00000
     66     -26.2506      2.00000
     67     -26.2218      2.00000
     68     -26.2107      2.00000
     69     -26.1913      2.00000
     70     -26.1796      2.00000
     71     -26.0411      2.00000
     72     -25.5657      2.00000
     73     -23.6107      2.00000
     74     -23.5858      2.00000
     75     -23.4937      2.00000
     76     -23.4411      2.00000
     77     -23.4311      2.00000
     78     -23.3944      2.00000
     79     -23.3935      2.00000
     80     -23.3522      2.00000
     81     -23.3213      2.00000
     82     -23.2972      2.00000
     83     -23.2825      2.00000
     84     -23.2750      2.00000
     85     -23.2652      2.00000
     86     -23.2635      2.00000
     87     -23.2543      2.00000
     88     -23.2105      2.00000
     89     -23.1574      2.00000
     90     -23.1521      2.00000
     91     -23.1365      2.00000
     92     -23.1268      2.00000
     93     -23.0797      2.00000
     94     -23.0526      2.00000
     95     -23.0502      2.00000
     96     -23.0396      2.00000
     97     -22.9976      2.00000
     98     -22.9941      2.00000
     99     -22.9728      2.00000
    100     -22.9614      2.00000
    101     -22.9445      2.00000
    102     -22.8927      2.00000
    103     -22.8861      2.00000
    104     -22.8568      2.00000
    105     -22.8518      2.00000
    106     -22.8319      2.00000
    107     -22.7996      2.00000
    108     -22.7702      2.00000
    109     -22.7648      2.00000
    110     -22.7498      2.00000
    111     -22.7465      2.00000
    112     -22.7435      2.00000
    113     -22.7252      2.00000
    114     -22.7209      2.00000
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   1257       0.3423     -0.00000
   1258       0.3468     -0.00000
   1259       0.3650     -0.00000
   1260       0.3951     -0.00000
   1261       0.4437     -0.00000
   1262       0.6375     -0.00000
   1263       0.6538     -0.00000
   1264       0.6886     -0.00000
   1265       0.7061     -0.00000
   1266       0.7174     -0.00000
   1267       0.7742     -0.00000
   1268       0.7906     -0.00000
   1269       0.7976     -0.00000
   1270       0.8084     -0.00000
   1271       0.8107     -0.00000
   1272       0.8313     -0.00000
   1273       0.8620     -0.00000
   1274       0.8737     -0.00000
   1275       0.8935     -0.00000
   1276       0.9152     -0.00000
   1277       0.9328     -0.00000
   1278       0.9542     -0.00000
   1279       0.9885     -0.00000
   1280       1.0732     -0.00000
   1281       1.0932     -0.00000
   1282       1.1238     -0.00000
   1283       1.1321     -0.00000
   1284       1.1428     -0.00000
   1285       1.2041     -0.00000
   1286       1.2479     -0.00000
   1287       1.2826     -0.00000
   1288       1.3617     -0.00000
   1289       1.3725     -0.00000
   1290       1.3842     -0.00000
   1291       1.4738     -0.00000
   1292       1.5493     -0.00000
   1293       1.5612     -0.00000
   1294       1.5939     -0.00000
   1295       1.6513     -0.00000
   1296       1.6693     -0.00000
   1297       1.6951     -0.00000
   1298       1.8203     -0.00000
   1299       1.8636     -0.00000
   1300       1.8980     -0.00000
   1301       1.9212     -0.00000
   1302       1.9617     -0.00000
   1303       1.9828     -0.00000
   1304       2.0074     -0.00000
   1305       2.0198     -0.00000
   1306       2.0581     -0.00000
   1307       2.0801     -0.00000
   1308       2.0861     -0.00000
   1309       2.1085     -0.00000
   1310       2.1218     -0.00000
   1311       2.1426     -0.00000
   1312       2.1683     -0.00000
   1313       2.1875     -0.00000
   1314       2.2079     -0.00000
   1315       2.2179     -0.00000
   1316       2.2417     -0.00000
   1317       2.2777     -0.00000
   1318       2.2963     -0.00000
   1319       2.3088     -0.00000
   1320       2.3540     -0.00000
   1321       2.3744     -0.00000
   1322       2.4119     -0.00000
   1323       2.4275     -0.00000
   1324       2.4555     -0.00000
   1325       2.4697     -0.00000
   1326       2.4964     -0.00000
   1327       2.5263     -0.00000
   1328       2.5551     -0.00000
   1329       2.5762     -0.00000
   1330       2.5824     -0.00000
   1331       2.5986     -0.00000
   1332       2.6154     -0.00000
   1333       2.6241     -0.00000
   1334       2.6460     -0.00000
   1335       2.6638     -0.00000
   1336       2.6831     -0.00000
   1337       2.6963     -0.00000
   1338       2.7033     -0.00000
   1339       2.7194     -0.00000
   1340       2.7551     -0.00000
   1341       2.7631     -0.00000
   1342       2.7867     -0.00000
   1343       2.7991     -0.00000
   1344       2.8122     -0.00000
   1345       2.8760     -0.00000
   1346       2.9448     -0.00000
   1347       2.9887     -0.00000
   1348       3.0447     -0.00000
   1349       3.0682     -0.00000
   1350       3.0730     -0.00000
   1351       3.0978     -0.00000
   1352       3.1216     -0.00000
   1353       3.1401     -0.00000
   1354       3.1649     -0.00000
   1355       3.1761     -0.00000
   1356       3.2012     -0.00000
   1357       3.2070     -0.00000
   1358       3.2363     -0.00000
   1359       3.2645     -0.00000
   1360       3.2962     -0.00000
   1361       3.3298     -0.00000
   1362       3.4170     -0.00000
   1363       3.4693     -0.00000
   1364       3.5371     -0.00000
   1365       3.6203     -0.00000
   1366       3.6648     -0.00000
   1367       3.6901     -0.00000
   1368       3.7277     -0.00000
   1369       3.7582     -0.00000
   1370       3.7830     -0.00000
   1371       3.8015     -0.00000
   1372       3.8056     -0.00000
   1373       3.8391     -0.00000
   1374       3.8488     -0.00000
   1375       3.8710     -0.00000
   1376       3.8855     -0.00000
   1377       3.9106     -0.00000
   1378       3.9251     -0.00000
   1379       3.9524     -0.00000
   1380       3.9646     -0.00000
   1381       3.9744     -0.00000
   1382       3.9772     -0.00000
   1383       3.9924      0.00000
   1384       4.0377      0.00000
   1385       4.0444      0.00000
   1386       4.0645      0.00000
   1387       4.0754      0.00000
   1388       4.0818      0.00000
   1389       4.0969      0.00000
   1390       4.1092      0.00000
   1391       4.1262      0.00000
   1392       4.1314      0.00000
   1393       4.1427      0.00000
   1394       4.1536      0.00000
   1395       4.1724      0.00000
   1396       4.1833      0.00000
   1397       4.1952      0.00000
   1398       4.2039      0.00000
   1399       4.2155      0.00000
   1400       4.2287      0.00000
   1401       4.2334      0.00000
   1402       4.2455      0.00000
   1403       4.2602      0.00000
   1404       4.2744      0.00000
   1405       4.2973      0.00000
   1406       4.3107      0.00000
   1407       4.3266      0.00000
   1408       4.3349      0.00000
   1409       4.3419      0.00000
   1410       4.3529      0.00000
   1411       4.3653      0.00000
   1412       4.3800      0.00000
   1413       4.4004      0.00000
   1414       4.4103      0.00000
   1415       4.4224      0.00000
   1416       4.4409      0.00000
   1417       4.4566      0.00000
   1418       4.4727      0.00000
   1419       4.4962      0.00000
   1420       4.5079      0.00000
   1421       4.5149      0.00000
   1422       4.5276      0.00000
   1423       4.5413      0.00000
   1424       4.5520      0.00000
   1425       4.5772      0.00000
   1426       4.5897      0.00000
   1427       4.5986      0.00000
   1428       4.6094      0.00000
   1429       4.6166      0.00000
   1430       4.6235      0.00000
   1431       4.6535      0.00000
   1432       4.6714      0.00000
   1433       4.6976      0.00000
   1434       4.7117      0.00000
   1435       4.7327      0.00000
   1436       4.7660      0.00000
   1437       4.7968      0.00000
   1438       4.8179      0.00000
   1439       4.8390      0.00000
   1440       4.8438      0.00000
   1441       4.8650      0.00000
   1442       4.8775      0.00000
   1443       4.9127      0.00000
   1444       4.9146      0.00000
   1445       4.9460      0.00000
   1446       4.9713      0.00000
   1447       4.9776      0.00000
   1448       4.9878      0.00000
   1449       5.0023      0.00000
   1450       5.0077      0.00000
   1451       5.0261      0.00000
   1452       5.0392      0.00000
   1453       5.0622      0.00000
   1454       5.0728      0.00000
   1455       5.0943      0.00000
   1456       5.1222      0.00000
   1457       5.1274      0.00000
   1458       5.1411      0.00000
   1459       5.1557      0.00000
   1460       5.1586      0.00000
   1461       5.1839      0.00000
   1462       5.1977      0.00000
   1463       5.2207      0.00000
   1464       5.2276      0.00000
   1465       5.2329      0.00000
   1466       5.2653      0.00000
   1467       5.2711      0.00000
   1468       5.2813      0.00000
   1469       5.3009      0.00000
   1470       5.3131      0.00000
   1471       5.3163      0.00000
   1472       5.3302      0.00000
   1473       5.3349      0.00000
   1474       5.3449      0.00000
   1475       5.3457      0.00000
   1476       5.3757      0.00000
   1477       5.3818      0.00000
   1478       5.3983      0.00000
   1479       5.4003      0.00000
   1480       5.4244      0.00000
   1481       5.4408      0.00000
   1482       5.4477      0.00000
   1483       5.4582      0.00000
   1484       5.4653      0.00000
   1485       5.4674      0.00000
   1486       5.4774      0.00000
   1487       5.4859      0.00000
   1488       5.4906      0.00000
   1489       5.5059      0.00000
   1490       5.5132      0.00000
   1491       5.5201      0.00000
   1492       5.5410      0.00000
   1493       5.5440      0.00000
   1494       5.5493      0.00000
   1495       5.5644      0.00000
   1496       5.5736      0.00000
   1497       5.5776      0.00000
   1498       5.5917      0.00000
   1499       5.5941      0.00000
   1500       5.6215      0.00000
   1501       5.6313      0.00000
   1502       5.6378      0.00000
   1503       5.6506      0.00000
   1504       5.6580      0.00000
   1505       5.6630      0.00000
   1506       5.6741      0.00000
   1507       5.6833      0.00000
   1508       5.6901      0.00000
   1509       5.6979      0.00000
   1510       5.7115      0.00000
   1511       5.7187      0.00000
   1512       5.7317      0.00000
   1513       5.7381      0.00000
   1514       5.7545      0.00000
   1515       5.7602      0.00000
   1516       5.7709      0.00000
   1517       5.7777      0.00000
   1518       5.7843      0.00000
   1519       5.7938      0.00000
   1520       5.7998      0.00000
   1521       5.8123      0.00000
   1522       5.8313      0.00000
   1523       5.8376      0.00000
   1524       5.8400      0.00000
   1525       5.8417      0.00000
   1526       5.8548      0.00000
   1527       5.8602      0.00000
   1528       5.8710      0.00000
   1529       5.8881      0.00000
   1530       5.8928      0.00000
   1531       5.9040      0.00000
   1532       5.9079      0.00000
   1533       5.9175      0.00000
   1534       5.9227      0.00000
   1535       5.9277      0.00000
   1536       5.9386      0.00000
   1537       5.9579      0.00000
   1538       5.9629      0.00000
   1539       5.9704      0.00000
   1540       5.9781      0.00000
   1541       5.9911      0.00000
   1542       5.9973      0.00000
   1543       6.0072      0.00000
   1544       6.0112      0.00000
   1545       6.0337      0.00000
   1546       6.0431      0.00000
   1547       6.0490      0.00000
   1548       6.0518      0.00000
   1549       6.0599      0.00000
   1550       6.0687      0.00000
   1551       6.0859      0.00000
   1552       6.0867      0.00000
   1553       6.0921      0.00000
   1554       6.1048      0.00000
   1555       6.1155      0.00000
   1556       6.1242      0.00000
   1557       6.1250      0.00000
   1558       6.1339      0.00000
   1559       6.1401      0.00000
   1560       6.1521      0.00000
   1561       6.1551      0.00000
   1562       6.1757      0.00000
   1563       6.1846      0.00000
   1564       6.1878      0.00000
   1565       6.2010      0.00000
   1566       6.2092      0.00000
   1567       6.2166      0.00000
   1568       6.2216      0.00000
   1569       6.2255      0.00000
   1570       6.2388      0.00000
   1571       6.2434      0.00000
   1572       6.2619      0.00000
   1573       6.2748      0.00000
   1574       6.2893      0.00000
   1575       6.2970      0.00000
   1576       6.3061      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.082  13.404  -0.001   0.001  -0.000   0.001  -0.004   0.001
 13.404  17.820  -0.001   0.001  -0.000   0.001  -0.005   0.001
 -0.001  -0.001  -4.229   0.002   0.000   8.272  -0.004  -0.000
  0.001   0.001   0.002  -4.229   0.001  -0.004   8.272  -0.001
 -0.000  -0.000   0.000   0.001  -4.222  -0.000  -0.001   8.264
  0.001   0.001   8.272  -0.004  -0.000 -18.311   0.006   0.000
 -0.004  -0.005  -0.004   8.272  -0.001   0.006 -18.308   0.001
  0.001   0.001  -0.000  -0.001   8.264   0.000   0.001 -18.303
 total augmentation occupancy for first ion, spin component:           1
  8.306  -3.722   0.194   0.094  -0.057   0.025   0.018  -0.009
 -3.722   1.742  -0.104  -0.069   0.035  -0.011  -0.011   0.005
  0.194  -0.104   1.763  -0.066  -0.025   0.165  -0.011  -0.004
  0.094  -0.069  -0.066   1.885  -0.067  -0.011   0.176  -0.009
 -0.057   0.035  -0.025  -0.067   1.209  -0.004  -0.009   0.078
  0.025  -0.011   0.165  -0.011  -0.004   0.017  -0.001  -0.001
  0.018  -0.011  -0.011   0.176  -0.009  -0.001   0.018  -0.001
 -0.009   0.005  -0.004  -0.009   0.078  -0.001  -0.001   0.005


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -55321.51835110496.81307 35305.26251-12819.85538  6483.17726 25948.95857
  Hartree   -86.80595137606.30403 73485.15565-13154.67808  4483.31905 20427.54944
  E(xc)  -10740.89091-10600.05324-10641.37456     2.49002     7.97584    30.16644
  Local   22030.02091************************ 25963.94219-11011.46268-45821.99779
  n-local -5858.12413 -5977.78372 -6036.35220     6.43617    16.35565   -56.45815
  augment  1492.05063  1537.69343  1488.39187     4.15979    12.95507    -1.65446
  Kinetic 45582.80803 43252.85210 43764.63699   -33.62301   -79.68028  -543.68280
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total        5.3989514   -417.2116654    -65.1381797    -31.1282945    -87.3600872    -17.1187465
  in kB        0.9003184    -69.5733847    -10.8623129     -5.1908923    -14.5679938     -2.8546880
  external PRESSURE =     -26.5117931 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.288E+03 -.119E+03 0.248E+03   0.288E+03 0.120E+03 -.249E+03   -.217E+00 -.335E+00 0.134E+01   0.102E-02 -.606E-03 -.187E-03
   -.247E+03 -.142E+03 0.491E+02   0.247E+03 0.143E+03 -.490E+02   -.232E-01 -.128E+01 -.460E+00   0.784E-03 -.193E-03 0.242E-03
   -.208E+03 -.130E+03 0.267E+01   0.207E+03 0.131E+03 -.124E+01   0.452E+00 -.174E+01 -.182E+01   0.516E-03 0.180E-04 0.287E-03
   -.258E+03 -.109E+03 0.353E+03   0.258E+03 0.109E+03 -.355E+03   0.135E+00 -.108E-01 0.245E+01   0.594E-03 -.152E-03 -.297E-03
   -.215E+03 -.155E+03 0.315E+03   0.214E+03 0.156E+03 -.316E+03   0.139E+00 -.974E+00 0.981E+00   0.282E-03 -.100E-04 -.319E-03
   -.189E+03 -.119E+03 0.177E+03   0.189E+03 0.119E+03 -.177E+03   0.110E+00 -.594E-01 0.173E+00   0.318E-03 0.762E-05 0.441E-04
   -.299E+03 -.149E+03 0.179E+03   0.299E+03 0.154E+03 -.178E+03   0.312E+00 -.425E+01 0.940E+00   0.149E-02 -.289E-03 -.804E-03
   -.229E+03 -.120E+03 0.220E+02   0.229E+03 0.124E+03 -.247E+02   -.541E+00 -.405E+01 0.187E+01   0.916E-03 0.355E-03 -.118E-04
   -.138E+03 0.534E+01 0.208E+03   0.138E+03 -.556E+01 -.208E+03   -.364E-01 0.288E-01 0.233E+00   0.264E-03 0.159E-03 0.471E-04
   -.115E+03 0.882E+02 0.666E+02   0.114E+03 -.894E+02 -.655E+02   0.465E+00 0.195E+01 -.108E+01   0.443E-03 0.963E-04 0.295E-03
   -.124E+03 0.120E+03 0.137E+03   0.124E+03 -.121E+03 -.137E+03   0.506E+00 0.120E+01 0.694E-02   0.642E-03 0.329E-03 0.325E-03
   -.140E+03 0.746E+01 0.342E+03   0.140E+03 -.780E+01 -.343E+03   -.140E+00 0.379E+00 0.117E+01   0.127E-03 0.395E-03 -.284E-03
   -.139E+03 -.277E+02 0.378E+03   0.139E+03 0.285E+02 -.379E+03   0.209E+00 -.110E+01 0.241E+01   0.232E-03 0.578E-03 -.224E-03
   -.152E+03 0.423E+02 0.311E+03   0.153E+03 -.422E+02 -.312E+03   -.333E+00 -.144E+00 0.124E+01   0.631E-03 0.103E-02 -.417E-04
   -.153E+03 0.142E+03 0.282E+03   0.152E+03 -.149E+03 -.282E+03   0.591E+00 0.367E+01 0.221E+01   0.604E-03 0.270E-03 -.538E-03
   -.123E+03 0.138E+03 0.112E+03   0.123E+03 -.140E+03 -.116E+03   0.648E+00 0.305E+01 0.329E+01   0.703E-03 -.301E-03 0.237E-03
   -.126E+03 0.130E+03 0.613E+02   0.127E+03 -.126E+03 -.574E+02   -.608E+00 -.470E+01 -.371E+01   0.718E-03 -.241E-03 -.324E-03
   -.530E+02 0.216E+03 -.155E+03   0.524E+02 -.217E+03 0.156E+03   0.704E+00 0.152E+01 -.178E+01   0.730E-03 -.263E-03 -.925E-04
   -.248E+02 0.159E+03 -.209E+03   0.243E+02 -.160E+03 0.211E+03   0.405E+00 0.988E-01 -.211E+01   0.750E-03 -.192E-03 0.264E-04
   -.115E+03 0.130E+03 0.194E+03   0.116E+03 -.129E+03 -.197E+03   -.107E+01 -.957E+00 0.325E+01   0.658E-03 -.432E-03 -.392E-03
   -.493E+02 0.934E+02 -.507E+01   0.479E+02 -.951E+02 0.632E+01   0.143E+01 0.189E+01 -.138E+01   0.746E-03 -.482E-03 -.241E-03
   -.526E+02 0.231E+02 -.153E+03   0.528E+02 -.230E+02 0.154E+03   -.764E-01 0.381E+00 -.103E+01   0.637E-03 -.543E-03 0.171E-03
   -.782E+02 -.288E+02 -.199E+03   0.786E+02 0.291E+02 0.199E+03   -.323E+00 -.235E+00 0.683E+00   0.523E-03 -.393E-03 0.419E-03
   -.570E+02 -.815E+02 -.264E+03   0.580E+02 0.834E+02 0.263E+03   -.757E+00 -.219E+01 0.133E+01   0.279E-03 -.519E-04 0.554E-03
   -.371E+02 -.155E+03 -.372E+03   0.367E+02 0.156E+03 0.374E+03   0.415E+00 -.607E+00 -.184E+01   0.119E-03 -.108E-03 0.429E-03
   -.137E+03 -.170E+03 -.182E+03   0.137E+03 0.171E+03 0.180E+03   -.758E+00 -.200E+00 0.229E+01   0.750E-03 -.356E-03 0.358E-03
   -.109E+03 -.296E+03 -.219E+03   0.109E+03 0.297E+03 0.219E+03   -.852E-01 -.799E+00 0.399E+00   0.476E-03 -.405E-04 0.470E-03
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 -----------------------------------------------------------------------------------------------
   -.139E+02 -.436E+01 0.228E+02   -.120E-10 -.637E-11 -.159E-11   0.139E+02 0.436E+01 -.228E+02   0.244E-01 -.238E-01 -.284E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.87861      3.16337      1.41196        -0.027467      0.031597      0.195326
     12.69530      3.60269      2.73373         0.051126     -0.099672     -0.313798
     12.64397      4.98894      3.04566         0.220044     -0.802304     -0.398846
     12.91229      4.07781      0.36628         0.198364      0.055064      0.365127
     12.90029      5.44240      0.67622         0.007124     -0.357306      0.048439
     12.80256      5.94436      1.99893         0.057933      0.154301     -0.025933
     12.94889      1.66454      1.35359        -0.217154      1.311078      1.593510
     12.49844      2.35474      3.58348         0.147914     -0.034022     -0.825870
     12.90117      7.44077      2.22939         0.015140     -0.195301     -0.084950
     12.83309      8.02748      3.51737         0.279380      0.749755     -0.010294
     13.13337      9.40074      3.65936         0.224553      0.355816     -0.000282
     13.14483      8.32368      1.13939         0.076371      0.035601      0.156798
     13.33931      9.70146      1.27454         0.190696     -0.337594      0.530909
     13.38310     10.22877      2.55871        -0.088381      0.047575      0.138087
     13.61854     11.65888      2.99485        -0.471127     -3.303462      2.225561
     13.28158     10.25799      4.90076         0.302640      0.451318     -1.096808
     13.68487     12.77535      5.29464        -0.170947     -0.410149      0.192697
     13.33793     12.69827      6.65211         0.102151     -0.228134     -0.192373
     13.38078     13.80464      7.48625        -0.085080     -0.330422     -0.140001
     13.98022     14.07331      4.83579        -0.107186     -0.283592      0.285377
     13.98760     15.17426      5.71612         0.083369      0.139243     -0.132228
     13.72266     15.10342      7.12674         0.143502      0.441922     -0.207332
     13.75300     16.24150      8.16033         0.100877     -0.002389     -0.026894
     13.21581     16.20248      9.49712         0.226822     -0.248273      0.211069
     13.35329     17.27914     10.39495         0.091511      0.038414     -0.057945
     14.31084     17.50714      7.86228         0.142932      0.171266      0.269757
     14.36474     18.60347      8.72095        -0.021150     -0.053676      0.230039
     13.92808     18.49850     10.03844        -0.043515     -0.036116     -0.175009
     12.50475     15.02048     10.11995        -0.172119      0.040583      0.251440
     14.47181     16.42754      5.05735        -0.151942      0.225463      0.524657
      9.66556      3.85862      4.81402         0.087074      0.066154     -0.240784
      9.80916      4.80690      3.80162         0.043672     -0.206180      0.012737
      9.97871      6.16827      4.11802        -0.275163     -0.803479     -0.050325
      9.63316      4.22486      6.14724         0.204569      0.077081     -0.555882
      9.71731      5.56928      6.46486         0.098669      0.049915     -0.161744
      9.91585      6.56510      5.47485         0.033705      0.307154      0.142741
      9.52336      2.49480      4.25274         0.027269      0.558960     -0.455246
      9.80699      4.06608      2.48512        -0.232832     -0.664672      1.061801
     10.03399      8.00564      5.86505        -0.000887     -0.064317     -0.014759
     10.26921      8.98914      4.87578        -0.165984      0.653077      0.127677
     10.30375     10.33536      5.25065         0.167430      0.300130      0.431094
      9.89551      8.44010      7.21121         0.152514      0.191510     -0.247290
     10.00584      9.78360      7.59107         0.009395      0.161860     -0.664412
     10.20027     10.73818      6.59362        -0.039337     -0.246563     -0.199306
     10.33386     12.22541      6.70175         0.155930     -1.558118     -2.188651
     10.53763     11.56339      4.42917        -0.113431      0.334010     -0.347765
     10.86253     14.05945      4.99557        -0.017098     -0.068519     -0.253994
     11.34283     14.40985      3.72348         0.111529      0.100853      0.263861
     11.71468     15.72380      3.44247         0.132025     -0.327756      0.062505
     10.82821     15.12389      5.92152         0.009114     -0.102223     -0.044058
     11.11765     16.47049      5.58792        -0.083620     -0.099686     -0.270036
     11.58411     16.85027      4.27364        -0.033781     -0.000862     -0.220501
     12.02385     18.23454      3.75722         0.067934      0.161803      0.172703
     12.51409     18.60774      2.44557         0.016469      0.297985      0.012279
     12.68424     19.98044      2.12015         0.189696      0.113049      0.004466
     11.92649     19.34766      4.62124        -0.094680      0.132698     -0.028143
     12.12711     20.69137      4.32323         0.085610     -0.122188     -0.275480
     12.52503     21.05833      3.03231        -0.240279      0.115569      0.177873
     12.82977     17.66436      1.24919         0.256206      0.296270     -0.028410
     10.84970     17.42967      6.72739        -0.244402      0.131728      0.458625
     10.20274      7.14049     14.59611        -0.074742      0.645321      0.452810
     10.09886      7.59285     15.92950        -0.101846      0.056636     -0.317681
     10.07515      8.98469     16.24741         0.130510     -1.146510     -0.444409
     10.21552      8.09421     13.56029         0.202379     -0.410421      0.484856
     10.24006      9.46165     13.87453        -0.026976     -0.321744      0.287745
     10.19825      9.95392     15.21845         0.176513      0.220678     -0.418281
     10.14320      5.64505     14.56385         0.623394     -0.977837     -0.432076
      9.83174      6.37365     16.80753         0.272966     -0.304314     -1.782069
     10.27677     11.45395     15.49468         0.056721     -0.201031     -0.091930
     10.20127     11.99584     16.80448         0.316875      0.798400      0.067078
     10.40303     13.38555     16.99706         0.227698      0.392125      0.098341
     10.47260     12.38586     14.43202         0.065693     -0.021542      0.197780
     10.62016     13.76408     14.61900         0.151743     -0.280232      0.436868
     10.61806     14.25358     15.92001        -0.017351      0.092293      0.199927
     10.74640     15.68450     16.39327        -0.259060     -2.100808      1.033206
     10.40497     14.25425     18.25932         0.312077      0.370172     -1.122200
     10.57724     16.85450     18.64835         0.051706     -0.566567      0.058787
     10.17760     16.78784     19.98780         0.107984      0.070268     -0.220844
     10.00252     17.94346     20.74906        -0.052692     -0.251623     -0.105987
     10.82897     18.17248     18.17578         0.114729     -0.380936      0.286469
     10.78983     19.29846     19.03260        -0.002628      0.203337     -0.266570
     10.32506     19.26207     20.39912         0.136108      0.154606      0.036426
     10.15592     20.43138      0.14826         0.272631     -0.150853      0.121609
      9.69827     20.34096      1.51762        -0.319335     -0.078271      0.059361
      9.58586      0.20043      2.37011         0.081055      0.165253     -0.125387
     10.51501      0.51161     21.11772         0.051668      0.095195      0.437273
     10.24398      1.65258      0.62277        -0.140882     -0.123080     -0.030384
      9.77008      1.53147      1.93647         0.101447     -0.008879     -0.269386
      9.24003     19.07965      2.23253        -0.330584      0.205951      0.390476
     11.19214     20.59945     18.38012         0.077679      0.213666      0.063081
      7.02596      7.64419     17.53829         0.151733     -0.144896     -0.327368
      7.11782      8.60586     16.52440         0.494364     -0.315838      0.020510
      7.34097      9.95989     16.84011        -0.328165     -0.606801     -0.132197
      7.08471      8.00592     18.87880         0.169816      0.206039     -0.417856
      7.12775      9.36710     19.18563         0.171704     -0.099248     -0.249309
      7.26729     10.37636     18.19075        -0.015470      0.288802      0.083356
      6.84230      6.27337     16.94542         0.176331      1.926518     -0.859016
      7.11871      7.87562     15.19190        -0.263152     -0.378663      0.718663
      7.30217     11.83903     18.57205        -0.030588     -0.095926      0.027065
      7.50705     12.89385     17.63928        -0.261360      0.793407      0.293984
      7.43370     14.23852     18.07814        -0.024552      0.014623      0.267247
      7.09173     12.21130     19.92054         0.136411      0.274997     -0.134840
      7.08601     13.53901     20.36429         0.123319      0.134710     -0.562862
      7.23100     14.56270     19.43187        -0.025300     -0.139570     -0.178195
      7.25081     16.05386     19.63645         0.241858     -1.212741     -1.925075
      7.63948     15.53561     17.33926        -0.164298      0.238369      0.206675
      7.69051     18.02137     18.07315        -0.114206     -0.155927     -0.285861
      8.32432     18.44136     16.89574         0.107624      0.217793      0.228800
      8.64075     19.78654     16.70233         0.133434     -0.559045     -0.046548
      7.39546     19.05809     18.98894         0.059548      0.087522     -0.249974
      7.55338     20.43267     18.65572        -0.278960     -0.219531      0.044816
      8.19391     20.88112     17.45907         0.148906     -0.007489     -0.483912
      8.59824      1.03047     16.99300         0.048364      0.405296      0.119183
      9.06602      1.35469     15.67060         0.221159     -0.130398      0.120450
      9.43141      2.70057     15.33787         0.173789      0.220068      0.140855
      8.62173      2.16432     17.86928         0.287620      0.141956     -0.274067
      9.00264      3.48120     17.54674         0.102873     -0.576150     -0.036046
      9.45400      3.79433     16.24587        -0.138116      0.272101      0.460735
      9.37432      0.34304     14.50388        -0.362512     -0.825883     -0.572451
      7.05608      0.13073     19.70038        -0.424519      0.120207      0.296838
      6.99687     10.85470      6.10977        -0.063598      0.241266      0.265822
      6.81858     11.33586      7.41910         0.031319      0.041657     -0.242067
      6.94555     12.70591      7.73530        -0.103146     -0.718844     -0.303589
      7.34490     11.72851      5.08657        -0.199419      0.093199      0.351517
      7.47439     13.08990      5.39814        -0.179285     -0.198043      0.082459
      7.26216     13.62660      6.70138        -0.078764      0.124252     -0.153744
      6.89465      9.36715      6.08454        -0.107126      0.696779      1.220077
      6.59426     10.14313      8.31158         0.327188     -0.288575     -1.422026
      7.36408     15.11628      6.93258        -0.075783     -0.137690     -0.203523
      7.11473     15.73249      8.18262        -0.010852      0.822601     -0.045309
      7.23262     17.14064      8.29647        -0.012213      0.146498     -0.081764
      7.71571     15.97180      5.85084        -0.168155      0.159392      0.125086
      7.75432     17.36242      5.94738        -0.268334     -0.134611      0.410874
      7.52086     17.95354      7.19035        -0.148823     -0.040556      0.410903
      7.72117     19.39079      7.63126        -0.464856     -1.152454      0.977892
      7.19357     18.02415      9.52907         0.638036      0.886260     -2.384830
      7.54934     20.59207      9.88827        -0.033239     -0.450498      0.235477
      7.08572     20.55189     11.21760         0.129580      0.127105     -0.143883
      6.92058      0.44896     11.98818         0.236428     -0.247812     -0.356929
      7.93627      0.62268      9.46141        -0.103922     -0.137716      0.277316
      7.95713      1.71996     10.37755         0.307035      0.285761     -0.166934
      7.44770      1.73105     11.71837        -0.179555      0.157440      0.030461
      7.38444      2.93054     12.76314        -0.068944     -0.024394      0.261472
      6.87717      2.89903     14.12392         0.569880      0.704055     -0.658105
      6.74500      4.02259     14.98353         0.372325      0.036411     -0.457260
      7.81261      4.25316     12.51996         0.329524     -0.025278     -0.023093
      7.64191      5.39947     13.31591        -0.275597      0.161389      0.068017
      7.06618      5.34832     14.59996         0.279788     -0.374423     -0.252019
      6.25217      1.71594     14.70187        -1.383297     -0.051661      1.401941
      8.58256      2.94591      9.79852         0.053945      0.120534      0.127833
      4.03261     11.50476     10.77728         0.038744      0.002845     -0.348446
      3.75689     12.39448      9.72440         0.160314     -0.232726      0.106253
      3.82124     13.78228      9.90389         0.065230     -0.671784     -0.013910
      4.37508     11.97578     12.03819        -0.025638      0.295330     -0.509970
      4.43115     13.36299     12.22189         0.011113     -0.021499     -0.167957
      4.16812     14.29512     11.17750         0.082538      0.074582      0.003531
      3.86316     10.09228     10.31654        -0.263896      1.401152     -0.895829
      3.38907     11.58658      8.50683         0.423898     -0.631664      1.369491
      4.26937     15.77808     11.39490         0.075436     -0.225755      0.220483
      4.08697     16.70415     10.33603         0.057394      0.617383     -0.022201
      4.15174     18.08748     10.60566         0.095693      0.140814      0.306595
      4.60620     16.28233     12.68083         0.057750      0.354452     -0.335026
      4.76089     17.64588     12.91425        -0.121539      0.304150     -0.254509
      4.44108     18.54339     11.89809        -0.065583     -0.139899     -0.398261
      4.40027     20.01757     11.91979         0.007939      1.304213      1.265258
      4.18206     19.30788      9.72121         0.006961      0.356206     -1.152351
      4.49263      0.62690     10.16664         0.101636      0.080303     -0.600885
      4.84055      0.94783      8.84041         0.033859      0.149738      0.000074
      5.21048      2.25348      8.47960        -0.202547     -0.149388      0.126751
      4.47145      1.75782     11.01489        -0.079504      0.050624     -0.072929
      4.77646      3.10752     10.62142        -0.151968     -0.315639     -0.072041
      5.28940      3.41068      9.29648         0.189696     -0.026909     -0.088462
      5.86921      4.79654      8.70713         0.158922      0.016391      0.537137
      6.35831      5.11400      7.38603         0.310220      0.012749      0.036495
      6.61869      6.46063      6.98672         0.197136     -0.156846      0.117130
      5.84200      5.95734      9.50918         0.213546      0.145461     -0.010944
      6.14482      7.26790      9.15357        -0.058678     -0.111418     -0.097067
      6.50252      7.58127      7.84074        -0.200772      0.088693      0.199120
      6.46517      4.04967      6.28023         0.476823     -0.075590      0.224851
      4.57232      4.08167     11.78754        -0.551333      0.300088      0.391053
      1.16327     14.34627      0.75481         0.324065     -0.086180      0.540805
      1.75898     14.77319      1.96158        -0.384540     -0.146940     -0.148059
      1.70716     16.15046      2.31107        -0.210413     -0.725160     -0.433275
      0.72779     15.23966     21.04417        -0.243572      0.164720      0.390309
      0.76339     16.59577      0.10400         0.010440     -0.607351      0.144024
      1.15671     17.08551      1.37920        -0.062613      0.327484     -0.396461
      1.18515     12.87331      0.66181         0.018721     -0.079802      0.225260
      2.39304     13.50710      2.61503        -2.046668      0.212934     -3.151921
      1.02639     18.58693      1.57497        -0.194035     -0.178849     -0.243947
      1.38958     19.25390      2.76556        -0.312915      0.841681     -0.069073
      1.20762     20.65256      2.84014        -0.017041      0.078715     -0.123045
      0.53014     19.39965      0.49751        -0.033876      0.135556      0.235120
      0.35912     20.78395      0.57410         0.112091     -0.194594      0.480645
      0.68428      0.14055      1.77425         0.055286     -0.078523      0.079423
      0.69567      1.60233      2.07626         0.389372     -1.143003      1.085585
      1.62264      0.35897      3.91547        -0.848347      0.691064     -1.777118
      1.45400      2.94667      4.04449         0.222512     -0.194817      0.428044
      2.02174      2.94469      5.31345        -0.155175     -0.151503     -0.010513
      2.16373      4.11083      6.03555         0.005051     -0.289055      0.194882
      1.06928      4.22104      3.58475        -0.042539     -0.066293      0.120213
      1.26953      5.38354      4.36345        -0.523806      0.578312     -0.478114
      1.87387      5.43790      5.65886        -0.105445      0.092428     -0.374819
      2.20876      6.69345      6.49311         0.033061      0.064013      0.247185
      2.72993      6.64394      7.81169        -0.005757      0.312762     -0.008391
      3.22471      7.74084      8.56803        -0.292065     -0.140153     -0.070371
      2.14726      8.05566      6.09574        -0.053764      0.053670      0.292646
      2.57711      9.17284      6.81519         0.237305     -0.072720      0.245641
      3.13110      9.06217      8.11142        -0.107931      0.044602     -0.277935
      2.94820      5.34992      8.46492         0.552424     -0.717506      0.853461
      0.66609      6.61774      3.73128        -0.053098      0.136144      0.169637
      4.68036     14.08267      0.70446        -0.084501     -0.042350     -0.167725
      4.01099     15.00380     -0.11615        -0.064207     -0.047783      0.174212
      3.98370     16.38393      0.25531         0.280646     -0.528311     -0.098557
      5.39370     14.51662      1.82188        -0.047607      0.461297     -0.178214
      5.41899     15.88752      2.13881        -0.100420     -0.366820     -0.284328
      4.69897     16.87189      1.39912         0.136611      0.153008      0.097275
      4.53758     12.67680      0.17783        -0.580113      1.328753     -0.433742
      3.37319     14.18259     19.98564         1.371191     -0.734034      1.825349
      4.76108     18.35573      1.85777         0.103558     -0.165796      0.068983
      4.08375     19.44175      1.22595         0.221665      0.679825      0.293464
      4.23349     20.77752      1.70934         0.096584      0.068337     -0.027735
      5.56813     18.71539      2.98432        -0.103012      0.376271      0.009107
      5.72441     20.03081      3.46580        -0.223024     -0.116326     -0.344888
      5.04314     21.05949      2.82094        -0.109545      0.083205     -0.273969
      5.07529      1.28390      3.10757        -0.538160     -0.825709     -0.902219
      3.67799      0.86635      1.21232         1.163926     -0.336428      1.306555
      3.91168      3.32164      2.13184        -0.078862     -0.125828     -0.603267
      3.04775      3.90500      1.19115        -0.071153      0.059692     -0.059514
      2.75119      5.27823      1.17286         0.021180     -0.331946      0.137401
      4.37814      4.26528      3.06318        -0.164387      0.010046     -0.254807
      4.11936      5.65649      2.92839         0.460231      0.571238      0.225989
      3.36008      6.33249      1.92897         0.181557     -0.008946      0.426057
      3.14023      8.00324      1.86214         0.762542     -0.238100      0.305373
      2.20098      8.61633      1.00903         0.122844     -0.154052     -0.779886
      1.94824     10.00595      0.84260        -0.138636     -0.883084     -0.035291
      3.72968      9.02930      2.68732        -0.515083      0.349096     -0.212657
      3.36401     10.40245      2.68347        -0.658006     -0.459284     -0.469074
      2.46935     10.96787      1.72038         0.090717      0.000884      1.033423
      1.58432      7.65401      0.04139        -1.111029      0.915251      0.243578
      4.79888      6.45919      3.98990        -0.573788      0.346301     -0.528991
     18.24697     17.31641     13.41902        -0.148233      0.104389      0.175008
     19.29696     17.82487     14.19882        -0.370520     -0.357004     -0.091013
     19.53567     19.20600     14.31875        -0.179541     -0.563039      0.144641
     17.41165     18.19014     12.72060         0.402399      0.068097      0.570665
     17.61302     19.56515     12.89014         0.168138      0.023749      0.085848
     18.65672     20.11881     13.68572        -0.005366      0.176870      0.014762
     18.20878     15.80898     13.49457         2.010546      2.172296      1.358652
     20.02257     16.64422     14.77831         0.108655     -0.130043      0.468043
     18.79182      0.35613     13.89317        -0.099403     -0.120167      0.015052
     19.83404      0.92195     14.67632        -0.192058      0.845689      0.315759
     19.79797      2.30163     15.00025        -0.457891      0.139828      0.084891
     17.79979      1.24684     13.39942         0.100692     -0.002292      0.205417
     17.78962      2.62083     13.66808         0.425790     -0.034640      0.491286
     18.78889      3.14693     14.49769         0.244052     -0.222382      0.113219
     18.97836      4.55123     15.02227         1.021703     -1.394166      0.489994
     20.61905      3.11315     15.98994        -0.745408      0.460467     -0.273557
     20.68143      5.62795     16.63723        -0.090067      0.061620     -0.158027
      0.74007      5.60437     17.13837        -0.827057     -0.710052     -0.381943
      1.37660      6.78152     17.47181         1.480796     -0.298529     -0.091015
     20.10342      6.92314     16.63974         0.729745     -0.075322      0.184165
     20.74491      8.05332     17.25407        -0.403232     -0.361400      0.087645
      0.84795      8.03744     17.74363        -0.722524      0.748928     -0.381105
      1.71390      9.19255     18.35136        -0.093996      0.640670      0.573192
      3.04199      9.11981     18.97724        -0.577474     -0.445156     -0.531143
      3.67459     10.21925     19.62217        -0.676612      0.466650     -0.232980
      1.16932     10.48461     18.57953         0.323247     -0.367569     -0.026988
      1.84908     11.61640     19.05639         0.130120      0.202729      0.123673
      3.12426     11.54177     19.63152        -0.185381      0.310005     -0.177056
      3.93336      7.87173     18.88501         0.214222      0.598175      0.275699
     19.80098      9.21671     17.39494         0.141867      0.213746      0.662569
      2.04619     18.16429     14.11512        -0.112747     -0.037296     -0.000081
      1.27797     19.13723     13.47426         0.093984     -0.584619     -0.355112
      1.40443     20.49588     13.77460        -0.298393     -0.742888     -0.112638
      3.01837     18.53202     15.04179        -0.428277      0.549469     -0.425125
      3.23481     19.89483     15.24213        -0.274588      0.299198      0.093326
      2.38213     20.90752     14.70248        -0.160121      0.038364      0.011483
      1.72561     16.80980     13.58142        -1.664379      2.956530     -0.689564
      0.42104     18.42612     12.45200         0.643766     -0.645867      0.475321
      2.53376      1.10265     15.00370         0.064659     -0.200303      0.183914
      1.78500      2.07021     14.30359         0.111139      1.429402     -0.063562
      2.09245      3.44083     14.49098         0.116454      0.128592      0.471326
      3.49495      1.55067     15.93866        -0.609276      0.161242     -0.048811
      3.77170      2.90356     16.14593        -0.319014      0.518627     -0.176552
      3.09865      3.85207     15.38511        -0.577897     -0.420871     -0.296527
      3.19322      5.33022     15.39278         0.425029      1.126999      0.702516
      1.40755      4.69245     14.03097        -0.763306      0.103223     -0.284030
      1.60771      7.22855     14.61222        -0.190275      0.060757     -0.247550
      0.32860      7.53801     14.10518         0.123237      0.007864      0.204960
     21.06531      8.83078     14.16137         0.060914      0.087953      0.103014
      2.25532      8.35366     15.21443        -0.066156     -0.363761     -0.263132
      1.73671      9.67374     15.19503        -0.169163     -0.135585     -0.076675
      0.42260      9.99549     14.66674         0.121211     -0.089595     -0.166820
     20.92598     11.34324     14.65431        -0.007128      0.089424     -0.042465
     19.58740     11.62350     14.14803        -0.145320      0.038387     -0.147877
     19.11756     12.94780     14.02759        -0.119456      0.289834      0.108189
      0.31382     12.53825     15.04274        -0.109192      0.021919     -0.288997
     -0.18494     13.83346     15.04466        -0.342373      0.013570     -0.142955
     19.80773     14.09142     14.50787         0.120848      0.177735      0.159497
     18.56496     10.61380     13.55057        -0.006414      0.480109      0.281641
      2.65516     10.70327     15.81196         0.608338      0.022929     -0.324173
     16.10942      0.41849      5.17324         0.112092      0.111626      0.160154
     16.93714      0.90079      6.20372        -0.160856     -0.056024     -0.193787
     17.02825      2.28067      6.48398        -0.238089     -0.650078     -0.141951
     15.27964      1.29219      4.48419         0.368782      0.044277      0.425687
     15.33870      2.65747      4.79630         0.144943     -0.177104      0.139146
     16.23101      3.20260      5.75484        -0.177518      0.197946     -0.008237
     16.35018     20.21688      4.92850         0.811129      1.125542      1.365082
     17.66222     20.97284      6.79163        -0.944994     -0.225984     -0.952160
     16.28331      4.70332      5.98675        -0.228366     -0.162867     -0.102739
     17.15824      5.30206      6.92532        -0.203215      0.660329      0.161524
     17.10924      6.69565      7.14234        -0.248835      0.152537      0.006159
     15.39999      5.58074      5.29117         0.155007      0.080103      0.133484
     15.37311      6.96812      5.48486         0.425811     -0.251057      0.291125
     16.25129      7.53100      6.40562         0.171413     -0.149256      0.288926
     16.40920      8.96257      6.83855         0.850882     -1.330584      0.720889
     17.77220      7.53945      8.20901        -1.275965      0.807458     -1.223639
     17.81601     10.11221      8.60483         0.218931     -0.242692      0.277008
     18.85011     10.00235      9.53940        -0.134857      0.022552      0.030911
     19.42101     11.12256     10.13476        -0.076935     -0.071127     -0.215580
     17.38418     11.44217      8.37776         0.117123     -0.184047      0.046672
     17.90288     12.54372      9.10401        -0.338475      0.172793      0.017639
     18.98003     12.45967     10.06213         0.189444      0.046089     -0.054003
     19.72372     13.59774     10.82630         0.373211     -0.203434      0.116422
     20.97035     13.49088     11.57049         0.104009     -0.211005     -0.045457
      0.38361     14.58929     12.13357        -0.111221      0.435548     -0.155396
     19.29309     14.94065     10.84641        -0.140131     -0.182608      0.064358
     19.98427     16.06545     11.32302        -0.121735     -0.172833      0.161243
     21.21261     15.92274     11.98325        -0.098919      0.211821     -0.044944
      0.53894     12.23758     11.77401         0.495419      0.408168      0.186617
     17.19040     13.83372      8.77266         0.127039      0.205505     -0.286622
     20.34412      1.28344      6.13804         0.015423      0.112658      0.056059
     19.79468      2.35302      5.39761         0.039000     -0.153562      0.226354
     19.83944      3.65931      5.85677        -0.028547     -0.249049     -0.160811
     20.87355      1.50615      7.40903        -0.170095      0.564394     -0.446775
     20.92973      2.83286      7.86451        -0.132220      0.168559     -0.156303
     20.45020      3.94432      7.09725         0.034125     -0.280451      0.225226
     20.13603      0.00472      5.38071        -0.497400      2.151569     -0.571458
     19.05679      1.80080      4.20929         0.914881     -0.850151      1.034954
     20.57994      5.36707      7.52875        -0.091466     -0.472248      0.417079
     20.17731      6.39572      6.66693        -0.039461      0.468502      0.139094
     20.44799      7.72192      7.00483         0.129840      0.275799      0.647666
     -0.13066      5.71936      8.78083        -0.245421      0.517259      0.065716
      0.19013      7.03694      9.10279        -0.304383      0.540455     -0.325829
     21.13179      8.03648      8.18065        -0.228023     -0.116193      0.166678
      0.07620      9.50896      8.27022        -1.051879     -0.836545     -1.490154
     20.08064      9.00172      6.34702        -0.168613      0.512742     -0.116066
     20.39095     11.48951      6.94313        -0.143568      0.028009     -0.396736
     19.53469     11.89178      5.90791         0.035591      0.283289      0.015809
     19.21603     13.23394      5.69778        -0.089653     -0.211054     -0.127101
     20.91607     12.56401      7.71255        -0.051378     -0.251974     -0.300642
     20.64544     13.92017      7.40932         0.035621      0.009538     -0.202446
     19.71139     14.35721      6.38776         0.102038      0.154260     -0.010400
     19.17874     15.80069      6.10078         0.244849     -0.017413      0.112764
     18.29825     16.22711      5.04445         0.134709      0.056387      0.012742
     17.78410     17.54141      4.94494         0.202808      0.011325     -0.104398
     19.46363     16.90310      6.95077        -0.063014      0.197024     -0.077606
     18.91119     18.18125      6.90867        -0.129870      0.046019     -0.094563
     17.98704     18.54283      5.91602         0.337894      0.022426      0.186306
     17.75664     15.29231      3.98733         0.160649      0.057137     -0.211212
      0.18411     14.90101      8.21725         0.282055      0.238184      0.176734
     12.44243      5.27326      4.07539         0.178564      0.133071      0.065544
     12.93737      3.72972     20.59584         0.149160      0.033738     -0.164720
     12.97619      6.11095     21.08570        -0.064963      0.235311     -0.032004
     12.53217      7.47464      4.40847         0.216263     -0.162646     -0.055139
     13.23769      7.94306      0.13177        -0.098600     -0.231219     -0.219039
     13.54212     10.32772      0.42019        -0.013618      0.201519     -0.405082
     13.07475     13.56655      8.47153         0.007821     -0.087518      0.519731
     12.95149     11.78791      7.10431         0.362927     -0.131872     -0.158047
     14.11375     14.24580      3.76974         0.296323     -0.014653      0.221930
     12.97957     17.13896     11.40542        -0.065344      0.068009      0.045362
     14.64068     17.78437      6.88236         0.271081     -0.365579      0.186930
     14.70754     19.55019      8.28845         0.128559     -0.068529      0.250870
     10.17900      6.86242      3.30945        -0.179445      0.195418     -0.082309
      9.45173      3.46325      6.87470         0.225916     -0.105362      0.286203
      9.57551      5.82768      7.50861         0.173001      0.208086      0.141735
     10.45823      8.73216      3.83164        -0.318185      0.054813      0.122366
      9.67794      7.73706      8.00528         0.034465     -0.297500      0.074866
      9.90915     10.09475      8.62160        -0.022671     -0.009652      0.387913
     12.29058     15.76630      2.53841        -0.107800      0.268544     -0.173877
     11.64720     13.66863      2.98977        -0.401841     -0.084663     -0.018588
     10.67157     14.87863      6.96703        -0.366010      0.134885     -0.089218
     12.84399     20.22302      1.07440         0.408973     -0.040812      0.123695
     11.66898     19.23990      5.65787        -0.103543     -0.234554     -0.164936
     11.87073      0.15623      5.09747         0.288425      0.011423     -0.129406
      9.85671      9.26451     17.27101         0.287219      0.103986      0.269810
     10.15552      7.75995     12.52409         0.162375      0.074931     -0.056577
     10.24640     10.13140     13.01256         0.010822      0.151414      0.211074
      9.93758     11.39578     17.67223         0.235537     -0.191250      0.055806
     10.54432     12.05021     13.40651        -0.036865     -0.272951     -0.233262
     10.78852     14.43723     13.78937        -0.023385      0.113592     -0.353423
      9.63567     17.68295      0.45475        -0.267950      0.209503      0.131763
      9.97387     15.85006     20.50630         0.039028      0.001212     -0.322229
     10.95347     18.31780     17.10315         0.522217      0.078999      0.282452
      9.48454      0.04659      3.44131        -0.507592     -0.087988     -0.256013
     11.09458      0.78159     20.26499         0.101700     -0.200733     -0.288349
     10.47392      2.61779      0.15784        -0.075630     -0.176505      0.312750
      7.64155     10.63658     16.04439        -0.414477      0.218703     -0.101946
      6.96391      7.25241     19.65087         0.262737     -0.029548      0.084653
      7.01162      9.61125     20.23727         0.189755      0.227187      0.090927
      7.77057     12.71115     16.59958        -0.310939     -0.075538     -0.080646
      6.85846     11.47014     20.67574         0.194287     -0.206588     -0.002487
      6.89499     13.77621      0.14348         0.324394     -0.055472      0.101145
      9.46124     19.87478     16.01245        -0.272871      0.386510     -0.308786
      8.79112     17.73462     16.21148        -0.302433      0.006544      0.013920
      7.15901     18.79764     20.01456        -0.504890      0.057652     -0.054902
      9.58597      2.96765     14.30141         0.507126     -0.296836     -0.161644
      8.48032      2.04877     18.93923        -0.385024     -0.182058     -0.238451
      8.91289      4.21770     18.35180         0.235469     -0.079238     -0.309207
      6.80712     13.01659      8.76958         0.019072      0.082194      0.039144
      7.54168     11.34430      4.08580        -0.038958      0.095746     -0.103380
      7.77970     13.72639      4.57114        -0.065439      0.198487      0.054108
      6.82210     15.16859      9.06510         0.097558     -0.152040      0.090415
      8.03852     15.56763      4.89467        -0.145845     -0.188160     -0.037839
      8.11390     17.96040      5.11880        -0.226932      0.045131     -0.209638
      6.22386      0.26066     12.77252         0.215044      0.159937      0.590258
      6.74454     19.60677     11.65070         0.110705      0.226555     -0.126544
      8.15360      0.80017      8.40148         0.227201     -0.080076      0.469016
      6.52132      3.83488     16.02708        -0.313176      0.081914     -0.239671
      8.24931      4.51840     11.58417         0.296778     -0.034696     -0.118695
      7.90345      6.32999     12.80546         0.035009      0.031172      0.415575
      3.57563     14.43289      9.06821         0.015074      0.019088     -0.040163
      4.57000     11.28478     12.84880         0.067351     -0.079761      0.188935
      4.67355     13.69795     13.22787         0.051136      0.197236     -0.004182
      3.93629     16.36482      9.30944        -0.091232      0.068799      0.056404
      4.68601     15.64746     13.55717         0.256300     -0.316990     -0.146650
      5.08755     18.03349     13.87431         0.087548     -0.116236      0.061481
      5.42194      2.29464      7.42879         0.178034      0.167361      0.005499
      4.91863      0.20067      8.04555        -0.229372      0.004409      0.254440
      4.34909      1.56737     12.07370        -0.481931      0.135109     -0.047378
      6.84728      6.65459      5.94545         0.271996     -0.174627      0.134913
      5.46613      5.95419     10.50955         0.039826     -0.298267     -0.054176
      5.94306      8.02563      9.91199         0.283241     -0.013930     -0.165479
      2.11183     16.46741      3.26193         0.087899      0.180646      0.315667
      0.41502     14.90299     20.05208        -0.084177      0.005353      0.191442
      0.49537     17.25688     20.55006        -0.152107      0.240911      0.042001
      1.83506     18.74822      3.61530         0.001936     -0.208416      0.156913
      0.26739     18.98849     20.78893        -0.005570     -0.319413     -0.006996
      0.02726      0.13643     20.99534        -0.080079     -0.151844     -0.148880
      2.49337      3.80344      6.98986         0.122662      0.252193      0.113671
      2.32112      2.02311      5.82370        -0.123779      0.232737     -0.314263
      0.63508      4.31703      2.59393        -0.148584      0.038357      0.235135
      3.68110      7.55364      9.53871        -0.421614      0.034299     -0.223727
      1.76557      8.35387      5.15414        -0.277384     -0.040704     -0.620894
      2.49133     10.14068      6.32567        -0.077127      0.020544      0.099252
      3.35092     17.05718     20.95094         0.085210      0.236358     -0.339391
      5.98452     13.80502      2.40227        -0.135614      0.004087      0.124346
      6.05598     16.14485      2.98398        -0.152702      0.236270      0.027521
      3.41449     19.28026      0.38726         0.043174     -0.063664     -0.256523
      6.16153     17.98404      3.52255        -0.100441     -0.304096     -0.065602
      6.39851     20.27146      4.29293        -0.068488     -0.194614      0.030196
      1.89307      5.39159      0.55560        -0.157231      0.281300     -0.334716
      2.45101      3.31192      0.49258         0.308876     -0.015485      0.158080
      4.87666      3.92223      3.95593         0.258649      0.047492     -0.176385
      1.37743     10.28112     21.21837        -0.317181     -0.016082      0.403811
      4.35341      8.82484      3.53764         0.398159     -0.067165     -0.376600
      3.71506     10.96249      3.54131         0.278313      0.418591     -0.096739
     20.42507     19.52852     14.86589        -0.314086      0.046393      0.162233
     16.61877     17.81532     12.08773        -0.291312     -0.080617     -0.183723
     16.91225     20.21566     12.37498         0.011390      0.182268     -0.083636
     20.65876      0.32656     15.06552        -0.132520     -0.101839      0.156048
     16.95823      0.85223     12.83703        -0.036487     -0.061323     -0.126299
     16.97572      3.25049     13.32507        -0.116881      0.125292     -0.197065
      2.44604      6.69325     17.30661        -0.251353      0.009712      0.711672
      1.32862      4.68194     17.10763        -0.129534      0.196744     -0.002691
     19.22874      7.08812     16.02194        -0.387671      0.051377      0.457785
      4.55489     10.03746     20.20929         0.473428     -0.133835     -0.042742
      0.16079     10.74224     18.32142        -0.143395     -0.228268     -0.170987
      1.31039     12.56368     18.90548         0.345455     -0.295159      0.359564
      0.71398     21.17195     13.27506         0.168765      0.196395     -0.051086
      3.66362     17.80008     15.49547         0.205547     -0.336541      0.292333
      4.15713     20.16577     15.75083        -0.156594      0.194570      0.390110
      0.95163      1.82235     13.64325         0.234773     -0.033996     -0.081210
      4.18458      0.83855     16.37549        -0.353160     -0.166192      0.419897
      4.60942      3.22855     16.74672        -0.175196     -0.010224      0.513990
     20.05206      8.86639     13.81087        -0.073356      0.057891      0.012014
     20.87319      6.77736     13.79788         0.368208     -0.133788     -0.307666
      3.10516      8.16854     15.86886         0.341966      0.130251     -0.581902
     18.22326     13.11649     13.43083        -0.090202     -0.080974      0.414399
      1.36097     12.57919     15.24701         0.065601     -0.290415     -0.067407
      0.52080     14.61640     15.31769        -0.318696      0.034899      0.102829
     17.76518      2.61391      7.20445        -0.051035      0.070094      0.342037
     14.59352      0.88965      3.74912         0.098280      0.102209     -0.158638
     14.64200      3.29908      4.26792         0.187904      0.200665     -0.024624
     17.88622      4.72382      7.48593        -0.088549     -0.154443      0.181988
     14.68879      5.19720      4.56561         0.025529     -0.205946     -0.034536
     14.66559      7.59786      4.96207        -0.047895      0.035491     -0.196569
     20.33894     10.83358     10.59140         0.040533      0.268660      0.365426
     19.30483      9.03678      9.78454        -0.263161      0.223530     -0.116422
     16.67378     11.63779      7.57619        -0.059798     -0.018818      0.297304
      1.25287     14.43713     12.76999        -0.103389     -0.199224     -0.457824
     18.35702     15.19562     10.39390        -0.326650      0.017578     -0.018821
     19.49654     17.01871     11.12206         0.339161      0.068613      0.138129
     19.35089      4.42536      5.25217         0.127639     -0.037054      0.020160
     21.20137      0.67755      8.02943         0.159390     -0.073775      0.076145
      0.13909      2.98979      8.83562        -0.162981      0.132059      0.027395
     19.71320      6.17194      5.71637        -0.165726      0.064145      0.060454
      0.15249      4.98243      9.51182        -0.359327     -0.333845      0.207517
      0.67678      7.30440     10.03582         0.019773     -0.092132      0.223783
     18.48494     13.31730      4.91999        -0.036614      0.202125     -0.000276
     19.04020     11.17860      5.25182         0.177107     -0.057988      0.131944
      0.24679     12.33373      8.59652         0.234730      0.122216     -0.310752
     17.10257     17.72302      4.12396         0.172413      0.153142     -0.065543
     20.12282     16.83965      7.78789         0.175372     -0.239799     -0.149749
     19.24578     18.89161      7.66628        -0.173387     -0.091078     -0.095702
     13.98722     19.33990     10.74590        -0.068209     -0.286868     -0.168271
     18.81808     21.01039      3.73279         0.125376     -0.179134     -0.370600
     12.64915      1.21347      2.68065         0.053000     -0.433005      0.073124
     13.59902     11.60801      4.43554        -0.158594      0.244031      0.333323
      9.67186      2.64408      2.83228        -0.080668      0.007530     -0.210328
     10.57914     12.68272      5.34562         0.062373      0.358106      0.047580
      9.79261      5.20052     15.88902         0.157110     -0.298142     -0.021679
     10.62758     15.63297     17.81286        -0.063929      0.796414      0.413763
      6.94963      6.45805     15.52171         0.271636     -0.164745     -0.645174
      7.51011     16.60556     18.33237        -0.135034      0.298628     -0.058884
      6.60318      8.97139      7.42847         0.207622     -0.346899      0.041820
      7.49551     19.39048      9.05334         0.112023      0.348181      0.346090
      3.49852     10.18725      8.92047        -0.117705     -0.203746     -0.412993
      4.27811     20.49930     10.58436        -0.115898     -0.275231      0.076284
      2.09523     12.39410      1.64591         0.005205     -0.665374      0.370395
      1.27000      1.70755      3.38061        -0.119906     -0.108950     -0.138294
      3.71911     12.75487     20.28479        -0.643029     -0.498733     -0.660967
      4.17593      1.88543      2.17194        -0.017550      0.465113     -0.228785
     19.35184     15.45100     14.30944        -0.115115     -0.379740      0.204385
     20.07040      4.47548     15.96887         0.342158      0.032032      0.236843
      0.70508     17.01386     12.57424        -0.070208     -0.447662      0.105001
      2.09987      5.84862     14.60369         0.147164     -0.080577      0.090793
     17.35582     19.84720      5.89273         0.243512     -0.590983     -0.024021
     17.37638      8.93400      7.89847        -0.099394      0.182987      0.283525
     19.34633      0.42035      4.28014        -0.198322     -0.075388     -0.358624
     20.63468     10.08560      7.14971         0.109082     -0.052028      0.062696
     12.26163      2.29613      4.77729         0.116103      0.029730      0.040250
     13.23658      0.96897      0.41819         0.588256     -0.628286     -1.154434
     13.17549      9.91964      6.05598        -0.167151     -0.348515      0.457592
     13.74649     12.62663      2.32841         0.460149      2.396389     -1.877195
      9.89734      4.49660      1.36057        -0.119725      0.333607     -0.657435
      9.34451      1.44613      4.83861        -0.066496     -0.057270      0.423544
     10.65160     11.63334      3.20255        -0.195628     -0.022955      0.765133
     10.25484     12.91298      7.67536        -0.221771      0.932895      1.523396
      9.63389      6.34038     17.99431         0.121313     -0.065156      0.936796
     10.40817      4.89434     13.60795        -0.141089      1.081523      1.161415
     10.24959     13.92323     19.40972         0.091055     -0.389001      0.614523
     10.87459     16.68042     15.73661         0.334643      1.193408     -1.118563
      7.22918      8.33166     14.06835        -0.125241     -0.063958      0.081379
      6.65057      5.22980     17.50872        -0.197773     -0.948357      0.872592
      7.88818     15.70300     16.15022        -0.364218     -0.146954      0.421768
      7.10302     16.68287     20.65094        -0.220655      0.559809      1.127473
      6.48742     10.12364      9.51587         0.113639      0.020610      0.670137
      7.08442      8.60963      5.15728         0.114242     -0.048737     -0.542531
      6.99123     17.71149     10.66524         0.005175     -0.519810      1.493192
      8.03859     20.36107      6.98126        -0.037070      0.369987     -0.540093
      3.07496     11.97236      7.40630        -0.137907      0.275882     -0.676928
      3.98471      9.07078     10.94845         0.056984     -0.665940      0.633494
      4.22704     19.33710      8.48892        -0.225038     -0.064431      1.084129
      4.44934     20.74463     12.94190        -0.158250     -1.457788     -1.847690
      2.97629     13.36455      3.62794         1.380857     -0.181761      2.382319
      0.51003     12.19254     21.15606        -0.108449      0.308667      0.270146
      2.15684      0.13618      4.96452         0.588371     -0.323640      1.009085
      0.33077      2.53648      1.39944        -0.461940      0.353940     -0.617366
      2.76035     14.55273     19.02629        -0.515220      0.352106     -1.026935
      5.01711     11.65787      0.62960         0.431498     -0.604571      0.453011
      2.99206      1.10414      0.25150        -0.278487      0.098411     -0.644490
      5.74431      1.87235      3.92850         0.316064      0.041412      0.308018
     -0.25805     16.67071     15.52826        -0.700914     -0.000687     -0.301103
     17.43625     15.05857     12.99545        -1.836326     -1.411465     -0.817577
      0.26928      2.73464     16.70400        -0.214002     -0.010838      0.166521
     18.38338      5.55338     14.71404        -0.632609      0.778361     -0.282105
     20.90027     18.88247     11.65019        -0.437498      0.600593     -0.684777
      2.15854     15.76298     13.93244         1.278468     -2.423065      0.979248
      0.36140      4.74700     13.38326         0.710930      0.033953      0.077376
      3.99123      6.03617     16.03871        -0.941589     -1.043984     -1.184781
     18.31021     20.90413      7.81238         0.244846      0.020680      0.355450
     15.86960     19.48843      4.09388        -0.442996     -0.328623     -0.699209
     18.38915      7.18228      9.17706         0.309172     -0.364336      0.820198
     15.85748      9.95759      6.43471        -0.257857      0.591172     -0.552695
     18.32820      2.32695      3.39829        -0.267900      0.445807     -0.509632
     20.54732     20.14590      5.54573         0.475419     -1.223591      0.390834
     19.39230      9.14824      5.34766         0.022834     -0.074270      0.107399
      0.68169     10.12935      9.09972         0.680126      0.475897      0.877763
     13.76804     17.58097      5.29035         0.101144     -0.103607      0.232782
     15.70512     16.68762      5.57299         0.285032     -0.207337      0.066171
     14.56535     16.39189      3.72553         0.333055     -0.458111     -0.453753
     11.97366     15.27211     11.36300         0.061486      0.222053      0.037357
     11.45027     14.57845      9.38639        -0.298492      0.047502     -0.136443
     13.32829     13.94563     10.31958         0.312413     -0.216870      0.364844
     11.88302     18.15381      7.23233         0.573312     -0.045414      0.013791
      9.95297     18.39858      6.36889         0.036293      0.117178     -0.126571
     10.33705     16.80983      7.83507        -0.235683     -0.140815     -0.109233
     13.05623     18.34629      0.08348        -0.081381      0.255858      0.118245
     13.94537     16.90032      1.40537         0.436922      0.116327      0.355120
     11.85979     16.75680      0.95250        -0.322640      0.010956     -0.236946
     10.28043      0.32415     18.61835         0.220544      0.106299      0.046655
     12.37647     -0.16524     18.84415         0.558608     -0.209786      0.238858
     11.31017     20.59890     17.03133         0.492949     -0.657099     -0.213932
      9.05897     19.27728      3.58584        -0.395659      0.128778     -0.225066
      8.04813     18.61372      1.74199        -0.294906      0.244672     -0.146123
     10.05076     18.00072      2.19884        -0.020614     -0.365573     -0.005419
      8.04112      0.75996     20.39834         0.184088      0.212031      0.098979
      6.28420      1.13107     19.18063        -0.332173     -0.083021     -0.210137
      6.31327     20.79339     20.68078        -0.349987     -0.263255     -0.111637
      9.28478      0.98638     13.30270         1.043186     -0.074738      0.574209
     10.64411     21.08540     14.65098        -0.196181      0.643251     -0.354774
      8.61473     20.41066     14.22429         0.659549      1.375167      0.494514
      7.80143      4.07013      9.86000         0.232103     -0.010327     -0.063038
      9.74860      3.30042     10.40463         0.568812     -0.136964      0.325725
      8.85443      2.82472      8.49023         0.510583     -0.419245     -0.409124
      6.06210      1.84755     16.08203         0.496669     -0.195343     -0.301490
      5.01347      1.59009     14.13759         0.222350     -0.305721     -0.028623
      6.76567      0.50035     14.61085         0.794435     -0.865326      0.073459
      5.60010      4.94514     11.94109        -0.169227      0.150435      0.165750
      3.45620      4.90623     11.86251        -0.317814     -0.252826     -0.596267
      4.44725      3.44791     12.96753         0.255755     -0.448181      0.084797
      7.07086      4.43318      5.11627        -0.194127      0.392847      0.211493
      7.18314      2.94093      6.63148         0.076725     -0.075927      0.354653
      5.23170      3.57315      5.95498        -0.285418     -0.239404     -0.146781
     -0.22605      7.28169      4.50862        -0.404979     -0.077207      0.144555
      1.57602      7.59554      3.46321        -0.073238     -0.129955     -0.124375
      0.00584      6.38333      2.59325        -0.552343     -0.596264      0.152563
      3.40084      5.49183      9.72956        -0.389294      0.224808     -0.338155
      1.93779      4.42305      8.64178        -0.058675      0.221950      0.100282
      3.88180      4.65669      7.74724        -0.515026      0.401830      0.004162
      5.88005      7.11659      3.47517         0.214508     -0.215485      0.017513
      4.02912      7.39535      4.63245        -0.128113      0.220359     -0.262828
      5.13618      5.70472      5.01319         0.537691     -0.516500      0.536315
      0.91162      8.20511     20.27555        -0.553524      0.604738      0.084639
      2.57976      6.91810     -0.46269        -0.402629      0.022901     -0.548602
      0.61173      6.83268      0.54088         0.195431     -0.136551     -0.046019
     19.58671      9.48652     18.72160        -0.023648     -0.000389      0.554195
     20.22993     10.40246     16.85751        -0.177060      0.045608      0.009149
     18.58910      9.01837     16.86900        -0.762280     -0.360917     -0.285993
      4.81253      7.87359     19.94677        -0.027649      0.057713     -0.204337
      3.47055      6.60648     18.86861         0.371420     -0.222727     -0.187831
      4.61277      7.96614     17.69418        -0.059994      0.352970      0.205381
      3.25696     11.49801     14.85865         0.267656     -0.092547     -0.581607
      2.03855     11.58718     16.60905         0.072285      0.287473      0.479863
      3.69452     10.21475     16.55648        -0.021859     -0.219231     -0.570113
     17.44496     11.22315     13.05270         0.074329      0.149113      0.001839
     19.02508      9.84167     12.53178         0.054613     -0.041076     -0.567638
     18.10974      9.72905     14.46541        -0.194149     -0.215531      0.685556
     16.47680     14.30572      9.83119        -0.409631     -0.025178      0.382417
     18.02029     14.86183      8.40774         0.071162      0.065002      0.111843
     16.33246     13.73714      7.72520        -0.241375     -0.253100     -0.038308
      1.53670     12.39867     12.71203        -0.048099     -0.035091     -0.341220
     21.13295     11.13444     12.17380         0.308710     -0.317414     -0.040257
      1.18783     11.88913     10.63824         0.112691      0.245467     -0.287926
      0.91398     15.75849      7.44716         0.426718     -0.040606     -0.560657
     20.68725     15.71846      8.99942         0.058371      0.023430      0.124245
      1.05995     14.35221      9.10693         0.283673     -0.418546     -0.352401
     17.03522     15.88943      3.00449         0.211134      0.268838     -0.139880
     18.75810     14.61572      3.35091         0.314538     -0.017201     -0.459474
     16.91230     14.33590      4.50099        -0.269734      0.021838      0.076615
 -----------------------------------------------------------------------------------
    total drift:                                0.003702     -0.015751     -0.027218


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4548.3312309278 eV

  energy  without entropy=    -4548.4811278425  energy(sigma->0) =    -4548.38119657
 
 d Force = 0.3678231E-03[-0.427E-04, 0.778E-03]  d Energy = 0.3878938E-03-0.201E-04
 d Force = 0.2314310E+02[ 0.231E+02, 0.231E+02]  d Ewald  = 0.2314310E+02 0.426E-06


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   28(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3184
 total energy-change (2. order) : 0.3334665E+01  (-0.2429559E+03)
 number of electron    2498.0000013 magnetization 
 augmentation part      162.7578177 magnetization 

  free energy =  -0.454499656006E+04  energy without entropy=  -0.454514742799E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   28(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) :-0.6565203E+01  (-0.7605686E+01)
 number of electron    2498.0000012 magnetization 
 augmentation part      162.9891473 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.7723
  0.7723

  free energy =  -0.455156176323E+04  energy without entropy=  -0.455171025989E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   28(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3752
 total energy-change (2. order) : 0.2509409E+00  (-0.1390961E+00)
 number of electron    2498.0000012 magnetization 
 augmentation part      162.8263672 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3069
  1.2183  1.3955

  free energy =  -0.455131082236E+04  energy without entropy=  -0.455145882784E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   28(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) : 0.3880146E-01  (-0.1284327E+00)
 number of electron    2498.0000012 magnetization 
 augmentation part      162.5701298 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2364
  2.0564  0.8721  0.7806

  free energy =  -0.455127202090E+04  energy without entropy=  -0.455142108199E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   28(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) :-0.1479602E-01  (-0.2586477E-01)
 number of electron    2498.0000013 magnetization 
 augmentation part      162.6127730 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3021
  2.3240  0.9877  0.9877  0.9091

  free energy =  -0.455128681692E+04  energy without entropy=  -0.455143500148E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   28(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) : 0.1261790E-01  (-0.1409192E-01)
 number of electron    2498.0000013 magnetization 
 augmentation part      162.6500081 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2491
  2.3762  1.0557  1.0557  0.8788  0.8788

  free energy =  -0.455127419902E+04  energy without entropy=  -0.455142292002E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   28(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3568
 total energy-change (2. order) :-0.9392296E-03  (-0.2945215E-02)
 number of electron    2498.0000013 magnetization 
 augmentation part      162.6669737 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2302
  2.4046  0.9623  0.9623  1.1738  1.1738  0.7044

  free energy =  -0.455127513825E+04  energy without entropy=  -0.455142335507E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   28(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) : 0.2931376E-03  (-0.4831759E-03)
 number of electron    2498.0000013 magnetization 
 augmentation part      162.6806803 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2079
  2.4285  1.1074  1.1074  1.1644  1.1644  0.8479  0.6350

  free energy =  -0.455127484511E+04  energy without entropy=  -0.455142311137E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   28(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) :-0.1991204E-03  (-0.3532347E-03)
 number of electron    2498.0000013 magnetization 
 augmentation part      162.6728244 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2216
  2.4977  1.0415  1.0415  1.3564  1.2545  0.9749  0.9749  0.6317

  free energy =  -0.455127504423E+04  energy without entropy=  -0.455142330353E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   28(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3776
 total energy-change (2. order) :-0.2191078E-03  (-0.5221387E-04)
 number of electron    2498.0000013 magnetization 
 augmentation part      162.6720125 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2398
  2.5976  1.8746  1.0714  1.0714  1.1540  0.9289  0.9289  0.9049  0.6263

  free energy =  -0.455127526334E+04  energy without entropy=  -0.455142350675E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   28(  11)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) :-0.2537138E-03  (-0.2052519E-04)
 number of electron    2498.0000013 magnetization 
 augmentation part      162.6709060 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2317
  2.6369  1.8975  1.0348  1.0348  1.3028  0.9722  0.9722  0.9158  0.9158  0.6347

  free energy =  -0.455127551706E+04  energy without entropy=  -0.455142379806E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   28(  12)  ---------------------------------------



 eigenvalue-minimisations  :  2888
 total energy-change (2. order) :-0.1638293E-03  (-0.2911195E-05)
 number of electron    2498.0000013 magnetization 
 augmentation part      162.6713573 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2780
  2.7154  2.3095  1.0638  1.0638  1.3020  1.3020  0.9979  0.9979  0.8330  0.8330
  0.6397

  free energy =  -0.455127568089E+04  energy without entropy=  -0.455142394383E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   28(  13)  ---------------------------------------



 eigenvalue-minimisations  :  3128
 total energy-change (2. order) :-0.2301940E-03  (-0.3834428E-05)
 number of electron    2498.0000013 magnetization 
 augmentation part      162.6719225 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2891
  2.9513  2.5061  1.3929  1.3929  1.0382  1.0382  0.9777  0.9777  0.9030  0.9030
  0.6415  0.7473

  free energy =  -0.455127591108E+04  energy without entropy=  -0.455142420687E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   28(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2424
 total energy-change (2. order) :-0.9733147E-04  (-0.1247298E-05)
 number of electron    2498.0000013 magnetization 
 augmentation part      162.6717984 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3321
  3.4534  2.5602  1.5226  1.5226  1.0563  1.0563  1.1058  1.1058  0.8805  0.8805
  0.8473  0.6414  0.6850

  free energy =  -0.455127600841E+04  energy without entropy=  -0.455142428832E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   28(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2632
 total energy-change (2. order) :-0.7811564E-04  (-0.1814709E-05)
 number of electron    2498.0000013 magnetization 
 augmentation part      162.6715037 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3403
  3.8408  2.5973  1.7910  1.3964  1.0433  1.0433  1.0600  1.0600  0.9083  0.9083
  0.8978  0.8978  0.6387  0.6813

  free energy =  -0.455127608653E+04  energy without entropy=  -0.455142437807E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   28(  16)  ---------------------------------------



 eigenvalue-minimisations  :  2312
 total energy-change (2. order) :-0.2957004E-04  (-0.3432832E-06)
 number of electron    2498.0000013 magnetization 
 augmentation part      162.6715080 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3889
  4.2834  2.5892  2.0530  1.0466  1.0466  1.2240  1.2240  1.1968  1.1968  0.9526
  0.9526  0.9020  0.9020  0.6400  0.6232

  free energy =  -0.455127611610E+04  energy without entropy=  -0.455142440459E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   28(  17)  ---------------------------------------



 eigenvalue-minimisations  :  2312
 total energy-change (2. order) :-0.2913069E-04  (-0.4643175E-06)
 number of electron    2498.0000013 magnetization 
 augmentation part      162.6715183 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4225
  4.8888  2.6339  2.2957  1.3937  1.3937  1.0261  1.0261  1.0773  1.0773  1.0172
  1.0172  0.8792  0.8792  0.8734  0.6337  0.6482

  free energy =  -0.455127614523E+04  energy without entropy=  -0.455142443424E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   28(  18)  ---------------------------------------



 eigenvalue-minimisations  :  2280
 total energy-change (2. order) :-0.1478696E-04  (-0.1336281E-06)
 number of electron    2498.0000013 magnetization 
 augmentation part      162.6714963 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4642
  5.3591  2.5731  2.5731  1.7882  1.0492  1.0492  1.1711  1.1711  1.2329  1.0696
  1.0696  0.8846  0.8846  0.8676  0.8676  0.6505  0.6302

  free energy =  -0.455127616001E+04  energy without entropy=  -0.455142445117E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   28(  19)  ---------------------------------------



 eigenvalue-minimisations  :  2272
 total energy-change (2. order) :-0.9289972E-05  (-0.1042901E-06)
 number of electron    2498.0000013 magnetization 
 augmentation part      162.6714963 magnetization 

  free energy =  -0.455127616930E+04  energy without entropy=  -0.455142445935E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0493       2 -56.2287       3 -56.1302       4 -55.8115       5 -55.8520
       6 -56.3582       7 -58.0421       8 -58.3578       9 -56.3697      10 -56.0931
      11 -56.1513      12 -55.8636      13 -55.8152      14 -56.0517      15 -58.0375
      16 -58.1870      17 -56.2793      18 -54.8704      19 -54.7066      20 -55.1108
      21 -55.5781      22 -55.5720      23 -55.6650      24 -55.6167      25 -55.0240
      26 -54.7315      27 -54.9005      28 -54.9788      29 -60.3630      30 -60.3398
      31 -55.6667      32 -55.8801      33 -55.7776      34 -55.2702      35 -55.5319
      36 -56.0152      37 -57.8188      38 -58.1351      39 -56.1043      40 -55.8346
      41 -55.9645      42 -55.7435      43 -55.7626      44 -55.9204      45 -58.0516
      46 -58.3046      47 -56.4555      48 -55.1153      49 -54.9149      50 -55.2644
      51 -55.8680      52 -55.7946      53 -55.6982      54 -55.7152      55 -55.0717
      56 -54.7486      57 -54.9055      58 -56.2964      59 -60.3849      60 -60.5842
      61 -55.9483      62 -56.0707      63 -55.9433      64 -55.7235      65 -55.7845
      66 -56.2333      67 -58.1202      68 -58.1852      69 -56.2618      70 -55.9703
      71 -56.1112      72 -55.7574      73 -55.6848      74 -55.9536      75 -58.0357
      76 -58.2923      77 -56.4325      78 -55.0131      79 -54.8568      80 -55.2762
      81 -55.7456      82 -55.7722      83 -55.7963      84 -55.8402      85 -55.0582
      86 -54.9401      87 -55.0681      88 -56.3869      89 -60.6457      90 -60.4197
      91 -55.6883      92 -55.7823      93 -55.6794      94 -55.3965      95 -55.5005
      96 -55.9938      97 -57.8581      98 -58.0358      99 -56.1041     100 -55.8967
     101 -56.0176     102 -55.5846     103 -55.6316     104 -55.9118     105 -58.0564
     106 -58.3101     107 -56.4494     108 -55.0402     109 -54.9084     110 -55.2950
     111 -55.8000     112 -55.7378     113 -55.7237     114 -55.8698     115 -55.2018
     116 -54.8659     117 -54.9546     118 -56.3556     119 -60.4826     120 -60.4634
     121 -55.9417     122 -56.0230     123 -55.8889     124 -55.7656     125 -55.7893
     126 -56.1780     127 -57.9926     128 -58.2120     129 -56.0917     130 -55.7895
     131 -55.9232     132 -55.6342     133 -55.5596     134 -55.8321     135 -57.8781
     136 -58.0719     137 -56.3288     138 -54.9313     139 -54.7878     140 -55.1729
     141 -55.7073     142 -55.8196     143 -55.8503     144 -55.8197     145 -55.1789
     146 -54.9948     147 -55.1206     148 -56.4136     149 -60.5100     150 -60.4823
     151 -55.6036     152 -55.6965     153 -55.5553     154 -55.3587     155 -55.4475
     156 -55.8839     157 -57.8488     158 -57.9045     159 -55.9457     160 -55.7260
     161 -55.9199     162 -55.5321     163 -55.5798     164 -55.8200     165 -57.9588
     166 -58.1987     167 -56.4888     168 -55.1126     169 -54.8936     170 -55.3034
     171 -55.9243     172 -55.9370     173 -55.8504     174 -55.7203     175 -55.1693
     176 -54.6636     177 -54.8820     178 -56.2792     179 -60.4291     180 -60.5284
     181 -55.9338     182 -56.1773     183 -56.0039     184 -55.7027     185 -55.7193
     186 -56.2567     187 -57.9844     188 -58.2189     189 -56.2641     190 -55.9112
     191 -56.0655     192 -55.8044     193 -55.7259     194 -55.9545     195 -58.0211
     196 -58.2739     197 -56.4149     198 -54.9136     199 -54.8551     200 -55.2552
     201 -55.7961     202 -55.8857     203 -55.8366     204 -55.8047     205 -55.1897
     206 -55.0777     207 -55.0414     208 -56.4034     209 -60.6700     210 -60.4594
     211 -55.9926     212 -56.1676     213 -55.9594     214 -55.7515     215 -55.7426
     216 -56.2538     217 -58.1082     218 -58.3454     219 -56.1719     220 -55.8554
     221 -55.9802     222 -55.6422     223 -55.5126     224 -55.8286     225 -57.9088
     226 -58.2180     227 -56.3691     228 -54.9085     229 -54.9091     230 -55.0685
     231 -55.6262     232 -55.8998     233 -55.9432     234 -55.5487     235 -55.1800
     236 -54.9726     237 -55.0828     238 -56.4320     239 -60.2837     240 -60.3175
     241 -55.9548     242 -56.0055     243 -55.8969     244 -55.7325     245 -55.7808
     246 -56.2104     247 -57.9708     248 -58.2227     249 -56.2392     250 -55.9387
     251 -56.0739     252 -55.7864     253 -55.7847     254 -55.9911     255 -58.0032
     256 -58.1804     257 -56.3662     258 -55.0737     259 -54.8698     260 -55.1594
     261 -55.7553     262 -55.8058     263 -55.8481     264 -55.8879     265 -55.4186
     266 -54.8855     267 -55.1223     268 -56.4458     269 -60.5383     270 -60.3091
     271 -55.8837     272 -55.9575     273 -55.7737     274 -55.7058     275 -55.6759
     276 -56.0524     277 -58.1048     278 -58.1841     279 -55.7855     280 -55.6208
     281 -55.6835     282 -55.3755     283 -55.2900     284 -55.6411     285 -57.8865
     286 -58.1451     287 -56.4985     288 -55.0692     289 -54.8955     290 -55.3479
     291 -55.8039     292 -55.7782     293 -55.7492     294 -55.7126     295 -55.0370
     296 -54.7641     297 -54.8793     298 -56.3036     299 -60.3725     300 -60.5048
     301 -55.9111     302 -56.0496     303 -55.8951     304 -55.6096     305 -55.6693
     306 -56.1503     307 -58.0573     308 -58.2758     309 -56.2015     310 -55.8789
     311 -56.0484     312 -55.7364     313 -55.6925     314 -55.9404     315 -57.9577
     316 -58.1689     317 -56.3381     318 -54.8973     319 -54.7700     320 -55.1299
     321 -55.6819     322 -55.7352     323 -55.8075     324 -55.7932     325 -55.1018
     326 -54.9945     327 -55.1420     328 -56.4427     329 -60.4893     330 -60.2739
     331 -55.7969     332 -55.8286     333 -55.6888     334 -55.6316     335 -55.6202
     336 -56.0268     337 -57.9595     338 -57.9546     339 -55.8435     340 -55.5709
     341 -55.7209     342 -55.4627     343 -55.4659     344 -55.6896     345 -57.8136
     346 -57.9737     347 -56.3508     348 -54.8515     349 -54.7760     350 -55.2134
     351 -55.6936     352 -55.7549     353 -55.7035     354 -55.5916     355 -55.0934
     356 -54.6682     357 -54.8445     358 -56.2799     359 -60.2980     360 -60.4191
     361 -39.1678     362 -38.8114     363 -38.9639     364 -39.1707     365 -39.0495
     366 -38.7974     367 -38.1207     368 -37.9546     369 -37.9164     370 -38.1485
     371 -38.1550     372 -38.1022     373 -38.9024     374 -38.4004     375 -38.6963
     376 -38.9503     377 -38.8766     378 -38.7911     379 -38.2509     380 -38.1088
     381 -38.1589     382 -37.9397     383 -38.1056     384 -37.9053     385 -38.9418
     386 -38.7719     387 -38.8313     388 -38.9770     389 -38.8803     390 -38.6169
     391 -38.2590     392 -38.0237     393 -38.1084     394 -37.8903     395 -38.1939
     396 -38.1627     397 -38.8285     398 -38.3345     399 -38.6345     400 -38.9102
     401 -38.6326     402 -38.7774     403 -38.2765     404 -38.0496     405 -38.2129
     406 -38.1710     407 -37.9617     408 -37.7760     409 -38.8383     410 -38.8031
     411 -38.9454     412 -38.7758     413 -38.8419     414 -38.5580     415 -38.0716
     416 -38.0396     417 -37.9844     418 -37.9827     419 -38.1736     420 -38.2684
     421 -38.6122     422 -38.2884     423 -38.5121     424 -38.7330     425 -38.5785
     426 -38.6301     427 -38.1623     428 -37.9886     429 -38.2491     430 -38.1140
     431 -37.9802     432 -37.8579     433 -38.9173     434 -38.6016     435 -38.9105
     436 -38.8582     437 -38.9680     438 -38.6995     439 -38.4412     440 -37.9785
     441 -38.1089     442 -38.0968     443 -38.1991     444 -38.0670     445 -38.9509
     446 -38.8054     447 -38.8359     448 -38.8263     449 -38.6973     450 -38.3295
     451 -38.1208     452 -37.8345     453 -38.0087     454 -38.0626     455 -37.8830
     456 -38.0190     457 -38.9405     458 -38.7137     459 -38.9026     460 -38.9632
     461 -38.9371     462 -38.7248     463 -38.3587     464 -38.1951     465 -37.9834
     466 -38.3652     467 -37.9670     468 -38.2689     469 -38.9233     470 -38.8802
     471 -38.7569     472 -38.7375     473 -38.4995     474 -38.2732     475 -38.2453
     476 -38.1260     477 -38.2021     478 -37.8906     479 -38.1731     480 -37.9259
     481 -38.9260     482 -38.7235     483 -38.8567     484 -38.9090     485 -38.8909
     486 -38.7950     487 -38.1240     488 -37.9767     489 -37.9853     490 -37.9967
     491 -38.2535     492 -38.3249     493 -38.8775     494 -38.5546     495 -38.6150
     496 -38.6977     497 -38.5210     498 -38.3970     499 -38.1027     500 -37.8473
     501 -38.0797     502 -37.9882     503 -37.9902     504 -37.7975     505 -38.2728
     506 -41.0694     507 -71.5782     508 -71.5939     509 -71.5008     510 -71.5636
     511 -71.2392     512 -71.6428     513 -71.3840     514 -71.5194     515 -71.5340
     516 -71.4271     517 -71.3759     518 -71.5572     519 -71.5128     520 -71.6583
     521 -71.5562     522 -71.5326     523 -71.5111     524 -71.4297     525 -71.6874
     526 -71.3460     527 -71.5543     528 -71.5187     529 -71.2766     530 -71.4554
     531 -77.0733     532 -76.6433     533 -76.9121     534 -76.5557     535 -76.8201
     536 -76.4499     537 -77.1703     538 -76.6535     539 -76.8820     540 -77.1008
     541 -76.9563     542 -76.5995     543 -76.7714     544 -76.5336     545 -77.1190
     546 -76.7155     547 -76.8887     548 -76.6499     549 -76.7087     550 -76.4860
     551 -76.5648     552 -76.5334     553 -76.9170     554 -76.4754     555 -76.6842
     556 -76.7851     557 -76.9436     558 -76.6719     559 -76.9302     560 -76.8057
     561 -76.8585     562 -76.5015     563 -77.0246     564 -76.5080     565 -76.9233
     566 -76.5954     567 -76.8337     568 -76.7215     569 -77.1270     570 -76.4484
     571 -76.9787     572 -76.7164     573 -76.7926     574 -76.5802     575 -76.5444
     576 -76.5631     577 -76.6700     578 -76.2949     579 -82.4613     580 -82.2167
     581 -82.4776     582 -82.4254     583 -82.2074     584 -82.2218     585 -82.3852
     586 -82.4757     587 -82.6648     588 -82.2201     589 -82.2032     590 -82.4123
     591 -82.4948     592 -82.2316     593 -82.4945     594 -82.6008     595 -82.3081
     596 -82.7873     597 -82.3048     598 -82.3645     599 -82.6051     600 -82.2084
     601 -82.3764     602 -82.1450     603 -82.5039     604 -82.3282     605 -82.8309
     606 -82.2912     607 -82.4297     608 -82.4298     609 -82.4840     610 -82.0905
     611 -82.7137     612 -82.4357     613 -82.2590     614 -82.2393     615 -82.3481
     616 -82.6576     617 -82.5251     618 -82.6624     619 -82.6042     620 -82.8991
     621 -82.1714     622 -82.3536     623 -82.6211     624 -82.4716     625 -82.4928
     626 -82.0667     627 -82.1016     628 -82.2352     629 -82.2644     630 -82.1997
     631 -82.8213     632 -82.1979     633 -82.2730     634 -82.4455     635 -82.5744
     636 -82.2750     637 -82.2713     638 -82.2978     639 -82.0855     640 -82.2657
     641 -82.3205     642 -82.2857     643 -82.5933     644 -82.3722     645 -82.2758
     646 -82.4086     647 -82.5598     648 -82.3600     649 -82.1567     650 -82.1492
 
 
 
 E-fermi :  -1.3487     XC(G=0):  -6.4238     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.2894      2.00000
      2     -29.2372      2.00000
      3     -29.2066      2.00000
      4     -29.1076      2.00000
      5     -29.0871      2.00000
      6     -29.0617      2.00000
      7     -29.0319      2.00000
      8     -28.9902      2.00000
      9     -28.9486      2.00000
     10     -28.9439      2.00000
     11     -28.9375      2.00000
     12     -28.9270      2.00000
     13     -28.9018      2.00000
     14     -28.8814      2.00000
     15     -28.8656      2.00000
     16     -28.8277      2.00000
     17     -28.7897      2.00000
     18     -28.7700      2.00000
     19     -28.7399      2.00000
     20     -28.6625      2.00000
     21     -28.6537      2.00000
     22     -28.6125      2.00000
     23     -28.5301      2.00000
     24     -28.4949      2.00000
     25     -27.1391      2.00000
     26     -26.9132      2.00000
     27     -26.8376      2.00000
     28     -26.8227      2.00000
     29     -26.7977      2.00000
     30     -26.7371      2.00000
     31     -26.7154      2.00000
     32     -26.6749      2.00000
     33     -26.6624      2.00000
     34     -26.6496      2.00000
     35     -26.6352      2.00000
     36     -26.6264      2.00000
     37     -26.5956      2.00000
     38     -26.5750      2.00000
     39     -26.5742      2.00000
     40     -26.5550      2.00000
     41     -26.5357      2.00000
     42     -26.5057      2.00000
     43     -26.4871      2.00000
     44     -26.4793      2.00000
     45     -26.4372      2.00000
     46     -26.4337      2.00000
     47     -26.4014      2.00000
     48     -26.4012      2.00000
     49     -26.3991      2.00000
     50     -26.3945      2.00000
     51     -26.3817      2.00000
     52     -26.3807      2.00000
     53     -26.3658      2.00000
     54     -26.3612      2.00000
     55     -26.3586      2.00000
     56     -26.3504      2.00000
     57     -26.3466      2.00000
     58     -26.3401      2.00000
     59     -26.3289      2.00000
     60     -26.3237      2.00000
     61     -26.3033      2.00000
     62     -26.2885      2.00000
     63     -26.2613      2.00000
     64     -26.2530      2.00000
     65     -26.2508      2.00000
     66     -26.2480      2.00000
     67     -26.1946      2.00000
     68     -26.1902      2.00000
     69     -26.1572      2.00000
     70     -26.1459      2.00000
     71     -26.1255      2.00000
     72     -26.0648      2.00000
     73     -23.7151      2.00000
     74     -23.5860      2.00000
     75     -23.5061      2.00000
     76     -23.4119      2.00000
     77     -23.3098      2.00000
     78     -23.3093      2.00000
     79     -23.1562      2.00000
     80     -23.1544      2.00000
     81     -23.1250      2.00000
     82     -23.1149      2.00000
     83     -23.0967      2.00000
     84     -23.0906      2.00000
     85     -23.0839      2.00000
     86     -23.0808      2.00000
     87     -23.0688      2.00000
     88     -23.0190      2.00000
     89     -23.0189      2.00000
     90     -22.9900      2.00000
     91     -22.9542      2.00000
     92     -22.9469      2.00000
     93     -22.9277      2.00000
     94     -22.8814      2.00000
     95     -22.8709      2.00000
     96     -22.7968      2.00000
     97     -22.7945      2.00000
     98     -22.7452      2.00000
     99     -22.6954      2.00000
    100     -22.6915      2.00000
    101     -22.6673      2.00000
    102     -22.6568      2.00000
    103     -22.5979      2.00000
    104     -22.5956      2.00000
    105     -22.5859      2.00000
    106     -22.5507      2.00000
    107     -22.5421      2.00000
    108     -22.4961      2.00000
    109     -22.4840      2.00000
    110     -22.4657      2.00000
    111     -22.4461      2.00000
    112     -22.4202      2.00000
    113     -22.4151      2.00000
    114     -22.4130      2.00000
    115     -22.3951      2.00000
    116     -22.3715      2.00000
    117     -22.3624      2.00000
    118     -22.3297      2.00000
    119     -22.3260      2.00000
    120     -22.2556      2.00000
    121     -20.4336      2.00000
    122     -20.4033      2.00000
    123     -20.3315      2.00000
    124     -20.3148      2.00000
    125     -20.2782      2.00000
    126     -20.2668      2.00000
    127     -20.2600      2.00000
    128     -20.2382      2.00000
    129     -20.2312      2.00000
    130     -20.2186      2.00000
    131     -20.2166      2.00000
    132     -20.2130      2.00000
    133     -20.1870      2.00000
    134     -20.1661      2.00000
    135     -20.1507      2.00000
    136     -20.1249      2.00000
    137     -20.1241      2.00000
    138     -20.1143      2.00000
    139     -20.0980      2.00000
    140     -20.0974      2.00000
    141     -20.0381      2.00000
    142     -20.0331      2.00000
    143     -19.9814      2.00000
    144     -19.8375      2.00000
    145     -18.6515      2.00000
    146     -18.5853      2.00000
    147     -18.5159      2.00000
    148     -18.5116      2.00000
    149     -18.5000      2.00000
    150     -18.4923      2.00000
    151     -18.4675      2.00000
    152     -18.4519      2.00000
    153     -18.4446      2.00000
    154     -18.3782      2.00000
    155     -18.3645      2.00000
    156     -18.3378      2.00000
    157     -18.3274      2.00000
    158     -18.2450      2.00000
    159     -18.2317      2.00000
    160     -18.2132      2.00000
    161     -18.2055      2.00000
    162     -18.1981      2.00000
    163     -18.1631      2.00000
    164     -18.1468      2.00000
    165     -18.1033      2.00000
    166     -18.0871      2.00000
    167     -18.0606      2.00000
    168     -18.0356      2.00000
    169     -17.9688      2.00000
    170     -17.9378      2.00000
    171     -17.9177      2.00000
    172     -17.9013      2.00000
    173     -17.8373      2.00000
    174     -17.8192      2.00000
    175     -17.7966      2.00000
    176     -17.7770      2.00000
    177     -17.7467      2.00000
    178     -17.7357      2.00000
    179     -17.7221      2.00000
    180     -17.6768      2.00000
    181     -17.5939      2.00000
    182     -17.5256      2.00000
    183     -17.5164      2.00000
    184     -17.5084      2.00000
    185     -17.4908      2.00000
    186     -17.4858      2.00000
    187     -17.4819      2.00000
    188     -17.4634      2.00000
    189     -17.4566      2.00000
    190     -17.4435      2.00000
    191     -17.4356      2.00000
    192     -17.4088      2.00000
    193     -16.7536      2.00000
    194     -16.7503      2.00000
    195     -16.6702      2.00000
    196     -16.6613      2.00000
    197     -16.6235      2.00000
    198     -16.6192      2.00000
    199     -16.5970      2.00000
    200     -16.5496      2.00000
    201     -16.5377      2.00000
    202     -16.4938      2.00000
    203     -16.4770      2.00000
    204     -16.4617      2.00000
    205     -16.1717      2.00000
    206     -16.1603      2.00000
    207     -16.1290      2.00000
    208     -16.1057      2.00000
    209     -16.0730      2.00000
    210     -16.0590      2.00000
    211     -16.0446      2.00000
    212     -15.9740      2.00000
    213     -15.9561      2.00000
    214     -15.9135      2.00000
    215     -15.8830      2.00000
    216     -15.8114      2.00000
    217     -15.7555      2.00000
    218     -15.7144      2.00000
    219     -15.6869      2.00000
    220     -15.6777      2.00000
    221     -15.6445      2.00000
    222     -15.6322      2.00000
    223     -15.6196      2.00000
    224     -15.5993      2.00000
    225     -15.5602      2.00000
    226     -15.5395      2.00000
    227     -15.5241      2.00000
    228     -15.5121      2.00000
    229     -15.4878      2.00000
    230     -15.4597      2.00000
    231     -15.4517      2.00000
    232     -15.4358      2.00000
    233     -15.4290      2.00000
    234     -15.4245      2.00000
    235     -15.4102      2.00000
    236     -15.4010      2.00000
    237     -15.3949      2.00000
    238     -15.3877      2.00000
    239     -15.3750      2.00000
    240     -15.3617      2.00000
    241     -15.3447      2.00000
    242     -15.3409      2.00000
    243     -15.3231      2.00000
    244     -15.3096      2.00000
    245     -15.3075      2.00000
    246     -15.3038      2.00000
    247     -15.2946      2.00000
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   1381       3.9343     -0.00000
   1382       3.9652     -0.00000
   1383       3.9761      0.00000
   1384       4.0006      0.00000
   1385       4.0131      0.00000
   1386       4.0247      0.00000
   1387       4.0484      0.00000
   1388       4.0557      0.00000
   1389       4.0634      0.00000
   1390       4.0734      0.00000
   1391       4.0804      0.00000
   1392       4.0903      0.00000
   1393       4.1143      0.00000
   1394       4.1214      0.00000
   1395       4.1326      0.00000
   1396       4.1357      0.00000
   1397       4.1481      0.00000
   1398       4.1610      0.00000
   1399       4.1777      0.00000
   1400       4.1929      0.00000
   1401       4.1951      0.00000
   1402       4.2107      0.00000
   1403       4.2392      0.00000
   1404       4.2424      0.00000
   1405       4.2631      0.00000
   1406       4.2648      0.00000
   1407       4.2768      0.00000
   1408       4.2865      0.00000
   1409       4.3039      0.00000
   1410       4.3094      0.00000
   1411       4.3410      0.00000
   1412       4.3642      0.00000
   1413       4.3746      0.00000
   1414       4.3897      0.00000
   1415       4.4035      0.00000
   1416       4.4226      0.00000
   1417       4.4275      0.00000
   1418       4.4568      0.00000
   1419       4.4641      0.00000
   1420       4.4698      0.00000
   1421       4.4745      0.00000
   1422       4.4981      0.00000
   1423       4.4986      0.00000
   1424       4.5257      0.00000
   1425       4.5492      0.00000
   1426       4.5698      0.00000
   1427       4.5780      0.00000
   1428       4.5900      0.00000
   1429       4.6077      0.00000
   1430       4.6242      0.00000
   1431       4.6388      0.00000
   1432       4.6802      0.00000
   1433       4.6903      0.00000
   1434       4.7095      0.00000
   1435       4.7433      0.00000
   1436       4.7780      0.00000
   1437       4.7967      0.00000
   1438       4.8184      0.00000
   1439       4.8321      0.00000
   1440       4.8493      0.00000
   1441       4.8621      0.00000
   1442       4.8723      0.00000
   1443       4.8970      0.00000
   1444       4.9087      0.00000
   1445       4.9289      0.00000
   1446       4.9483      0.00000
   1447       4.9656      0.00000
   1448       4.9775      0.00000
   1449       4.9816      0.00000
   1450       5.0051      0.00000
   1451       5.0136      0.00000
   1452       5.0202      0.00000
   1453       5.0484      0.00000
   1454       5.0600      0.00000
   1455       5.0798      0.00000
   1456       5.0885      0.00000
   1457       5.1167      0.00000
   1458       5.1269      0.00000
   1459       5.1433      0.00000
   1460       5.1618      0.00000
   1461       5.1670      0.00000
   1462       5.1995      0.00000
   1463       5.2182      0.00000
   1464       5.2332      0.00000
   1465       5.2438      0.00000
   1466       5.2726      0.00000
   1467       5.2852      0.00000
   1468       5.2986      0.00000
   1469       5.3119      0.00000
   1470       5.3224      0.00000
   1471       5.3365      0.00000
   1472       5.3422      0.00000
   1473       5.3528      0.00000
   1474       5.3728      0.00000
   1475       5.3816      0.00000
   1476       5.4066      0.00000
   1477       5.4095      0.00000
   1478       5.4114      0.00000
   1479       5.4343      0.00000
   1480       5.4484      0.00000
   1481       5.4600      0.00000
   1482       5.4730      0.00000
   1483       5.4757      0.00000
   1484       5.4829      0.00000
   1485       5.4950      0.00000
   1486       5.5017      0.00000
   1487       5.5120      0.00000
   1488       5.5222      0.00000
   1489       5.5251      0.00000
   1490       5.5350      0.00000
   1491       5.5426      0.00000
   1492       5.5536      0.00000
   1493       5.5648      0.00000
   1494       5.5752      0.00000
   1495       5.5775      0.00000
   1496       5.5887      0.00000
   1497       5.5948      0.00000
   1498       5.6136      0.00000
   1499       5.6186      0.00000
   1500       5.6314      0.00000
   1501       5.6456      0.00000
   1502       5.6509      0.00000
   1503       5.6623      0.00000
   1504       5.6761      0.00000
   1505       5.6843      0.00000
   1506       5.6927      0.00000
   1507       5.7056      0.00000
   1508       5.7109      0.00000
   1509       5.7214      0.00000
   1510       5.7229      0.00000
   1511       5.7323      0.00000
   1512       5.7441      0.00000
   1513       5.7521      0.00000
   1514       5.7565      0.00000
   1515       5.7644      0.00000
   1516       5.7755      0.00000
   1517       5.7824      0.00000
   1518       5.7935      0.00000
   1519       5.7979      0.00000
   1520       5.8166      0.00000
   1521       5.8207      0.00000
   1522       5.8295      0.00000
   1523       5.8408      0.00000
   1524       5.8449      0.00000
   1525       5.8558      0.00000
   1526       5.8632      0.00000
   1527       5.8680      0.00000
   1528       5.8764      0.00000
   1529       5.8870      0.00000
   1530       5.8986      0.00000
   1531       5.9027      0.00000
   1532       5.9098      0.00000
   1533       5.9211      0.00000
   1534       5.9279      0.00000
   1535       5.9379      0.00000
   1536       5.9384      0.00000
   1537       5.9533      0.00000
   1538       5.9577      0.00000
   1539       5.9726      0.00000
   1540       5.9779      0.00000
   1541       5.9878      0.00000
   1542       5.9965      0.00000
   1543       6.0163      0.00000
   1544       6.0201      0.00000
   1545       6.0295      0.00000
   1546       6.0392      0.00000
   1547       6.0501      0.00000
   1548       6.0571      0.00000
   1549       6.0623      0.00000
   1550       6.0681      0.00000
   1551       6.0752      0.00000
   1552       6.0790      0.00000
   1553       6.1018      0.00000
   1554       6.1036      0.00000
   1555       6.1118      0.00000
   1556       6.1176      0.00000
   1557       6.1251      0.00000
   1558       6.1343      0.00000
   1559       6.1423      0.00000
   1560       6.1483      0.00000
   1561       6.1561      0.00000
   1562       6.1587      0.00000
   1563       6.1806      0.00000
   1564       6.1849      0.00000
   1565       6.1924      0.00000
   1566       6.1956      0.00000
   1567       6.2022      0.00000
   1568       6.2152      0.00000
   1569       6.2246      0.00000
   1570       6.2360      0.00000
   1571       6.2574      0.00000
   1572       6.2591      0.00000
   1573       6.2673      0.00000
   1574       6.2777      0.00000
   1575       6.2822      0.00000
   1576       6.3135      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.088  13.412  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.412  17.831  -0.001   0.001  -0.000   0.003  -0.005   0.001
 -0.001  -0.001  -4.234   0.002   0.000   8.281  -0.004  -0.000
  0.001   0.001   0.002  -4.234   0.001  -0.004   8.280  -0.001
 -0.000  -0.000   0.000   0.001  -4.227  -0.000  -0.001   8.272
  0.002   0.003   8.281  -0.004  -0.000 -18.328   0.006   0.000
 -0.004  -0.005  -0.004   8.280  -0.001   0.006 -18.324   0.001
  0.000   0.001  -0.000  -0.001   8.272   0.000   0.001 -18.319
 total augmentation occupancy for first ion, spin component:           1
  8.367  -3.756   0.158   0.110  -0.063   0.019   0.021  -0.010
 -3.756   1.760  -0.081  -0.078   0.038  -0.008  -0.013   0.006
  0.158  -0.081   1.779  -0.062  -0.029   0.168  -0.011  -0.005
  0.110  -0.078  -0.062   1.886  -0.067  -0.010   0.176  -0.009
 -0.063   0.038  -0.029  -0.067   1.212  -0.005  -0.009   0.079
  0.019  -0.008   0.168  -0.010  -0.005   0.018  -0.001  -0.001
  0.021  -0.013  -0.011   0.176  -0.009  -0.001   0.018  -0.001
 -0.010   0.006  -0.005  -0.009   0.079  -0.001  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -54826.03958108994.63151 33923.22242-12787.29666  6528.03171 25221.49048
  Hartree   413.12486136000.18515 72215.47001-13114.85382  4506.35186 19747.84625
  E(xc)  -10735.62494-10593.59470-10635.81391     2.43256     7.96530    30.27160
  Local   21030.36077************************ 25891.85753-11068.76503-44427.57285
  n-local -5849.73356 -5968.97185 -6027.60686     5.98449    14.99113   -56.01048
  augment  1490.48159  1537.07687  1488.26703     4.23342    13.39282    -0.89740
  Kinetic 45549.44022 43214.14068 43738.73212   -29.47408   -71.75465  -542.21371
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -20.1319119   -430.8786824   -114.3089709    -27.1165567    -69.7868642    -27.0861160
  in kB       -3.3571575    -71.8524692    -19.0619359     -4.5219029    -11.6375182     -4.5168266
  external PRESSURE =     -31.4238542 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.283E+03 -.120E+03 0.249E+03   0.283E+03 0.121E+03 -.250E+03   -.247E+00 -.438E+00 0.142E+01   -.322E-03 -.699E-04 0.246E-04
   -.240E+03 -.143E+03 0.508E+02   0.240E+03 0.144E+03 -.507E+02   -.267E-01 -.122E+01 -.379E+00   -.215E-03 -.644E-04 0.139E-04
   -.202E+03 -.131E+03 0.313E+01   0.202E+03 0.132E+03 -.171E+01   0.485E+00 -.154E+01 -.180E+01   -.178E-03 -.381E-04 0.110E-04
   -.253E+03 -.107E+03 0.351E+03   0.254E+03 0.107E+03 -.353E+03   0.870E-01 -.121E+00 0.244E+01   -.424E-03 -.273E-04 0.245E-04
   -.210E+03 -.156E+03 0.314E+03   0.210E+03 0.157E+03 -.315E+03   0.156E+00 -.789E+00 0.109E+01   -.382E-03 -.198E-04 0.246E-05
   -.185E+03 -.119E+03 0.175E+03   0.185E+03 0.119E+03 -.176E+03   0.127E+00 0.144E-01 0.232E+00   -.242E-03 -.182E-04 0.515E-05
   -.293E+03 -.142E+03 0.187E+03   0.293E+03 0.146E+03 -.188E+03   0.389E+00 -.446E+01 0.952E+00   -.285E-03 -.124E-03 0.115E-04
   -.219E+03 -.118E+03 0.268E+02   0.220E+03 0.122E+03 -.298E+02   -.430E+00 -.403E+01 0.208E+01   -.166E-03 -.831E-04 -.501E-06
   -.135E+03 0.581E+01 0.206E+03   0.135E+03 -.602E+01 -.206E+03   -.710E-01 0.374E-01 0.265E+00   -.185E-03 0.478E-05 0.290E-04
   -.111E+03 0.892E+02 0.669E+02   0.110E+03 -.905E+02 -.659E+02   0.476E+00 0.179E+01 -.119E+01   -.919E-04 0.376E-04 0.405E-04
   -.120E+03 0.120E+03 0.138E+03   0.119E+03 -.121E+03 -.138E+03   0.482E+00 0.109E+01 0.761E-01   -.747E-04 0.712E-04 0.745E-04
   -.136E+03 0.865E+01 0.341E+03   0.136E+03 -.927E+01 -.342E+03   -.801E-01 0.312E+00 0.129E+01   -.273E-03 0.456E-06 0.774E-04
   -.137E+03 -.298E+02 0.375E+03   0.137E+03 0.310E+02 -.378E+03   0.192E+00 -.839E+00 0.249E+01   -.253E-03 0.898E-05 0.156E-03
   -.150E+03 0.424E+02 0.313E+03   0.150E+03 -.427E+02 -.314E+03   -.430E+00 0.183E+00 0.168E+01   -.132E-03 0.681E-04 0.117E-03
   -.148E+03 0.122E+03 0.293E+03   0.148E+03 -.124E+03 -.297E+03   0.782E+00 0.408E+01 0.250E+01   -.957E-04 0.996E-04 0.145E-03
   -.117E+03 0.132E+03 0.109E+03   0.117E+03 -.135E+03 -.113E+03   0.576E+00 0.284E+01 0.353E+01   -.432E-04 0.970E-04 0.963E-04
   -.120E+03 0.125E+03 0.584E+02   0.120E+03 -.120E+03 -.541E+02   -.549E+00 -.447E+01 -.403E+01   -.250E-04 0.446E-04 0.174E-04
   -.456E+02 0.214E+03 -.153E+03   0.449E+02 -.216E+03 0.155E+03   0.748E+00 0.107E+01 -.197E+01   -.342E-04 0.310E-04 0.211E-04
   -.184E+02 0.158E+03 -.209E+03   0.179E+02 -.158E+03 0.212E+03   0.276E+00 0.247E+00 -.196E+01   -.398E-04 -.195E-06 0.331E-04
   -.108E+03 0.128E+03 0.195E+03   0.109E+03 -.127E+03 -.199E+03   -.978E+00 -.694E+00 0.323E+01   -.173E-04 0.310E-04 0.713E-05
   -.426E+02 0.912E+02 -.563E+01   0.413E+02 -.930E+02 0.701E+01   0.132E+01 0.202E+01 -.129E+01   -.194E-04 0.458E-05 -.262E-04
   -.468E+02 0.206E+02 -.151E+03   0.470E+02 -.206E+02 0.152E+03   -.183E-01 0.399E+00 -.126E+01   -.235E-04 -.322E-04 -.429E-05
   -.744E+02 -.286E+02 -.196E+03   0.748E+02 0.289E+02 0.195E+03   -.362E+00 -.315E+00 0.844E+00   -.109E-04 -.673E-04 -.941E-05
   -.569E+02 -.778E+02 -.260E+03   0.578E+02 0.795E+02 0.259E+03   -.101E+01 -.225E+01 0.145E+01   0.640E-05 -.609E-04 -.417E-06
   -.358E+02 -.155E+03 -.369E+03   0.354E+02 0.155E+03 0.371E+03   0.467E+00 -.670E+00 -.191E+01   0.129E-05 -.717E-04 -.870E-06
   -.134E+03 -.171E+03 -.178E+03   0.135E+03 0.171E+03 0.176E+03   -.749E+00 -.369E+00 0.210E+01   -.196E-04 -.730E-04 -.220E-04
   -.107E+03 -.295E+03 -.216E+03   0.108E+03 0.296E+03 0.215E+03   -.853E-02 -.665E+00 0.279E+00   -.162E-04 -.705E-04 0.780E-05
   -.634E+02 -.265E+03 -.323E+03   0.635E+02 0.266E+03 0.324E+03   -.257E+00 -.125E+01 -.617E+00   -.433E-06 -.645E-04 0.803E-05
   -.584E+02 -.290E+02 -.246E+03   0.639E+02 0.373E+02 0.241E+03   -.553E+01 -.854E+01 0.507E+01   -.567E-04 -.894E-04 -.302E-04
   -.488E+02 0.647E+02 0.312E+02   0.446E+02 -.743E+02 -.260E+02   0.460E+01 0.939E+01 -.461E+01   -.102E-03 0.335E-04 -.361E-04
   -.215E+03 -.324E+02 -.482E+02   0.215E+03 0.328E+02 0.501E+02   0.397E-01 -.326E+00 -.172E+01   -.360E-04 -.550E-04 0.254E-05
   -.147E+03 -.156E+03 0.124E+03   0.147E+03 0.158E+03 -.124E+03   0.281E+00 -.148E+01 -.324E+00   -.349E-04 -.453E-04 -.523E-04
   -.170E+03 -.154E+03 0.162E+03   0.170E+03 0.156E+03 -.163E+03   -.806E-01 -.200E+01 0.949E+00   -.473E-04 -.548E-04 -.305E-04
   -.326E+03 0.847E+01 -.166E+03   0.326E+03 -.105E+02 0.169E+03   0.502E+00 0.190E+01 -.315E+01   -.187E-04 -.555E-04 0.616E-04
   -.312E+03 -.734E+02 -.196E+03   0.312E+03 0.737E+02 0.197E+03   0.366E+00 -.722E-02 -.148E+01   0.236E-04 -.506E-04 0.789E-04
   -.238E+03 -.666E+02 -.243E+02   0.238E+03 0.665E+02 0.244E+02   0.375E+00 0.259E+00 -.314E+00   -.619E-05 -.425E-04 0.355E-04
   -.112E+03 -.564E+02 -.172E+02   0.112E+03 0.596E+02 0.204E+02   -.308E+00 -.418E+01 -.305E+01   -.205E-04 -.670E-04 -.850E-05
   -.673E+02 -.148E+03 0.110E+03   0.673E+02 0.151E+03 -.106E+03   -.178E+00 -.308E+01 -.387E+01   -.204E-04 -.262E-04 -.103E-03
   -.207E+03 0.470E+02 -.340E+02   0.207E+03 -.472E+02 0.340E+02   0.159E+00 0.275E+00 -.192E+00   0.181E-04 -.255E-04 0.614E-04
   -.117E+03 0.661E+02 0.173E+03   0.117E+03 -.672E+02 -.174E+03   -.118E+00 0.132E+01 0.195E+01   0.258E-05 -.119E-04 0.478E-04
   -.684E+02 0.857E+02 0.961E+02   0.683E+02 -.869E+02 -.963E+02   0.392E+00 0.134E+01 0.260E+00   0.400E-04 0.256E-04 0.665E-04
   -.232E+03 0.845E+02 -.241E+03   0.232E+03 -.855E+02 0.242E+03   0.211E+00 0.104E+01 -.977E+00   0.644E-04 -.116E-04 0.115E-03
   -.190E+03 0.419E+02 -.312E+03   0.190E+03 -.420E+02 0.315E+03   -.197E-01 0.263E+00 -.226E+01   0.550E-04 0.225E-04 0.137E-03
   -.108E+03 0.658E+02 -.166E+03   0.108E+03 -.666E+02 0.168E+03   0.714E-01 0.847E+00 -.138E+01   0.466E-04 0.176E-04 0.105E-03
   -.483E+02 0.116E+03 -.115E+03   0.478E+02 -.120E+03 0.116E+03   0.467E+00 0.477E+01 -.840E+00   0.571E-04 0.268E-05 0.105E-03
   -.849E+01 0.882E+02 0.115E+03   0.762E+01 -.924E+02 -.110E+03   0.320E+00 0.418E+01 -.216E+01   0.676E-04 0.474E-04 0.313E-04
   0.463E+02 0.638E+02 0.991E+02   -.449E+02 -.582E+02 -.101E+03   -.140E+01 -.549E+01 0.181E+01   0.823E-04 0.152E-04 0.554E-05
   0.155E+02 0.145E+03 0.281E+03   -.146E+02 -.147E+03 -.283E+03   -.779E+00 0.842E+00 0.256E+01   0.547E-04 0.243E-04 -.239E-04
   -.256E+02 0.137E+03 0.244E+03   0.268E+02 -.137E+03 -.246E+03   -.107E+01 -.444E+00 0.155E+01   0.361E-04 0.253E-04 -.414E-04
   0.531E+02 0.846E+02 -.673E+02   -.538E+02 -.850E+02 0.708E+02   0.683E+00 0.409E+00 -.349E+01   0.658E-04 -.133E-04 0.229E-04
   0.136E+02 0.396E+02 0.115E+02   -.128E+02 -.407E+02 -.134E+02   -.949E+00 0.149E+01 0.195E+01   0.515E-04 0.590E-05 -.225E-04
   0.303E+01 0.232E+02 0.884E+02   -.272E+01 -.225E+02 -.890E+02   -.345E+00 -.521E+00 0.948E+00   0.360E-04 0.238E-04 -.431E-04
   -.101E+03 -.107E+02 0.444E+02   0.101E+03 0.107E+02 -.440E+02   0.141E+00 -.860E-02 -.569E+00   -.169E-04 -.712E-05 -.316E-04
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   -.313E+03 -.408E+03 -.116E+03   0.353E+03 0.441E+03 0.124E+03   -.400E+02 -.326E+02 -.737E+01   0.112E-03 -.257E-04 -.294E-04
   0.502E+03 -.188E+03 -.125E+03   -.542E+03 0.217E+03 0.127E+03   0.398E+02 -.295E+02 -.230E+01   0.151E-03 0.703E-04 -.545E-04
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   0.825E+03 0.115E+03 0.509E+03   -.855E+03 -.125E+03 -.559E+03   0.288E+02 0.938E+01 0.497E+02   0.137E-03 -.458E-04 0.673E-04
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   0.416E+02 -.400E+03 0.348E+02   -.712E+02 0.435E+03 -.954E+01   0.295E+02 -.345E+02 -.254E+02   -.489E-04 0.323E-04 -.780E-04
   -.157E+03 0.265E+02 0.503E+02   0.170E+03 -.588E+02 -.540E+01   -.128E+02 0.322E+02 -.447E+02   -.338E-04 -.321E-04 -.426E-04
   0.765E+03 -.838E+02 0.104E+03   -.797E+03 0.107E+03 -.146E+03   0.310E+02 -.226E+02 0.412E+02   0.196E-03 0.671E-04 0.222E-04
   0.356E+02 0.355E+03 0.117E+03   0.382E+01 -.385E+03 -.140E+03   -.402E+02 0.302E+02 0.225E+02   0.107E-03 -.258E-05 0.419E-04
   0.831E+03 0.254E+03 0.152E+03   -.869E+03 -.283E+03 -.131E+03   0.383E+02 0.291E+02 -.210E+02   0.151E-03 -.726E-04 0.201E-03
   0.758E+03 -.995E+02 -.534E+03   -.767E+03 0.109E+03 0.585E+03   0.907E+01 -.939E+01 -.501E+02   0.578E-03 -.575E-04 -.456E-04
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   -.245E+03 -.812E+02 0.192E+03   0.269E+03 0.870E+02 -.234E+03   -.247E+02 -.565E+01 0.425E+02   0.187E-03 0.751E-04 -.713E-04
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   0.196E+03 -.517E+03 -.241E+03   -.219E+03 0.552E+03 0.274E+03   0.236E+02 -.345E+02 -.330E+02   0.329E-04 0.373E-03 0.212E-04
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   0.441E+03 -.968E+02 -.612E+03   -.470E+03 0.113E+03 0.652E+03   0.286E+02 -.166E+02 -.403E+02   -.158E-03 0.208E-03 0.102E-03
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   -.235E+03 0.196E+03 0.667E+03   0.273E+03 -.221E+03 -.692E+03   -.370E+02 0.254E+02 0.255E+02   0.899E-04 0.866E-04 0.128E-03
   0.103E+03 0.415E+03 0.296E+03   -.136E+03 -.449E+03 -.277E+03   0.326E+02 0.342E+02 -.184E+02   -.869E-04 0.123E-04 0.490E-04
 -----------------------------------------------------------------------------------------------
   -.119E+02 -.167E+02 0.196E+00   0.115E-10 -.597E-11 0.574E-11   0.119E+02 0.167E+02 -.215E+00   0.752E-02 0.184E-02 0.419E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.90666      3.15874      1.41331        -0.095322      0.282872      0.147935
     12.71669      3.59393      2.73294         0.004539      0.034447     -0.244568
     12.66191      4.97708      3.04863         0.203774     -0.467038     -0.376568
     12.93232      4.08032      0.36909         0.164056     -0.315577      0.123557
     12.90804      5.43851      0.67127         0.000401      0.125729      0.105253
     12.81345      5.93892      1.99896         0.071760      0.146878      0.061019
     12.98294      1.67559      1.36169         0.276356     -0.464839     -0.083587
     12.52114      2.35320      3.58091         0.243122     -0.265516     -0.987211
     12.91392      7.43978      2.23120        -0.018986     -0.171931      0.065730
     12.85233      8.03221      3.52593         0.232445      0.468593     -0.148938
     13.15688      9.40569      3.66523         0.157862      0.017930     -0.091683
     13.14862      8.32308      1.13510         0.072796     -0.306143      0.215209
     13.34986      9.69145      1.27505         0.266881      0.269313      0.227772
     13.40496     10.22544      2.55833        -0.222359     -0.176104      0.328095
     13.62447     11.62491      3.01177         0.403234      1.613419     -0.664372
     13.30880     10.25440      4.89892         0.198071      0.288864     -0.153928
     13.70078     12.75215      5.29370         0.004651      0.735614      0.295177
     13.36172     12.69678      6.65260        -0.047699     -1.029111     -0.253648
     13.40202     13.79095      7.48917        -0.236462      0.025078      0.395434
     13.99540     14.05346      4.83942         0.039354      0.074469     -0.161603
     14.00370     15.15664      5.71933         0.004639      0.271057      0.088638
     13.73839     15.09570      7.14316         0.217296      0.393406     -0.754989
     13.76971     16.23766      8.16856         0.059359     -0.046791      0.196364
     13.23352     16.20389      9.50655        -0.052365     -0.505990      0.411295
     13.35432     17.28180     10.40875         0.079032     -0.111424     -0.074682
     14.32880     17.50487      7.88091         0.152396     -0.064846      0.015800
     14.36993     18.59614      8.74015         0.172472      0.301254     -0.044670
     13.92825     18.49773     10.04938        -0.151011     -0.105945      0.045181
     12.50472     15.02730     10.14596        -0.081063     -0.215933     -0.199649
     14.48717     16.41384      5.05554         0.339065     -0.187572      0.548435
      9.66264      3.86037      4.80502         0.086686      0.078413      0.110854
      9.79354      4.80268      3.79235         0.103552     -0.046546     -0.018293
      9.96461      6.16287      4.10712        -0.192826     -0.375419      0.124406
      9.64620      4.22775      6.14267         0.141376     -0.161517     -0.385809
      9.72385      5.56979      6.46679         0.139454      0.286157     -0.169437
      9.91161      6.56964      5.47266         0.037439      0.111505     -0.146714
      9.50827      2.50641      4.24946        -0.149910     -0.992761      0.160291
      9.77790      4.05767      2.48451        -0.187714     -0.239570      0.067932
     10.02888      8.01217      5.85909        -0.004391      0.022182     -0.171411
     10.25341      9.00794      4.86620        -0.207898      0.177864      0.302233
     10.29082     10.34752      5.24892         0.219366      0.136190      0.022035
      9.89463      8.44058      7.20715         0.135692      0.065697     -0.143542
      9.99861      9.78542      7.58309        -0.027056      0.138923     -0.072205
     10.18457     10.73912      6.58864         0.072432     -0.040858     -0.256908
     10.31853     12.21448      6.68336        -0.029845      0.670565      0.455697
     10.51704     11.57335      4.40658        -0.547267      0.033488      2.535140
     10.83865     14.06451      4.99351        -0.014177      0.054276      0.153567
     11.32707     14.42162      3.73060         0.096279     -0.631380      0.078463
     11.71825     15.71889      3.44975         0.131240      0.047486     -0.265764
     10.81008     15.12139      5.92299        -0.039896      0.024093     -0.024441
     11.10318     16.46073      5.57875        -0.119549      0.368414      0.063740
     11.57965     16.84889      4.26306        -0.033303      0.149972      0.275919
     12.02667     18.23876      3.75742         0.094547      0.023286     -0.190164
     12.52060     18.62745      2.44739         0.016820     -0.092759     -0.237810
     12.69781     19.99496      2.11360         0.291220     -0.167166     -0.157369
     11.93403     19.34913      4.61575        -0.270699     -0.253819      0.390069
     12.14651     20.67755      4.31347        -0.005453      0.728359     -0.110759
     12.53931     21.05969      3.02646        -0.161714     -0.022525      0.127136
     12.85001     17.68375      1.23541         0.066015      0.779232      0.492679
     10.82828     17.41788      6.74134         0.233091      0.349824     -0.229134
     10.22685      7.13806     14.60771         0.006672      0.197428     -0.121775
     10.11972      7.58002     15.93276        -0.048249      0.159463     -0.182956
     10.10348      8.97264     16.25621         0.039497     -0.895881     -0.423928
     10.23484      8.08810     13.56966         0.183228     -0.305333      0.411499
     10.25383      9.45543     13.87418        -0.067978     -0.038536      0.416276
     10.22059      9.94702     15.22439         0.110820      0.122211     -0.371792
     10.20356      5.60940     14.53668        -1.006845      3.384664      4.633584
      9.86555      6.36314     16.79955         0.063528     -0.712265     -0.824664
     10.29298     11.45051     15.49897         0.070117     -0.091362      0.047284
     10.22078     12.00006     16.81428         0.305605      0.598696     -0.060348
     10.42696     13.39242     17.00242         0.168810      0.164569      0.038567
     10.48087     12.38298     14.42954         0.045657     -0.294881      0.227431
     10.63148     13.75567     14.61797         0.174225      0.160030      0.301438
     10.64102     14.25369     15.91936        -0.133770     -0.127390      0.262357
     10.76012     15.66539     16.39972         0.247699      0.816076     -0.659949
     10.43383     14.26005     18.25667         0.174737      0.058744      0.009596
     10.60086     16.84446     18.64276         0.079634      0.086266      0.126987
     10.18814     16.79961     19.98092         0.028019     -0.886972     -0.349806
     10.00380     17.93718     20.74531        -0.213464      0.069910      0.258281
     10.86517     18.15562     18.17300         0.141600      0.059866      0.109323
     10.81749     19.28039     19.03697         0.035554      0.569607     -0.350243
     10.33417     19.25217     20.40239         0.290468      0.420936     -0.253404
     10.15970     20.43229      0.14575         0.071177     -0.520320      0.295818
      9.67718     20.33708      1.51109        -0.148428      0.106668      0.382101
      9.56781      0.20293      2.36798        -0.043180      0.032682     -0.056499
     10.51718      0.50883     21.12575         0.220391      0.072049      0.112770
     10.22697      1.64327      0.62820         0.118249      0.322556     -0.327864
      9.75228      1.53865      1.92987        -0.106880     -0.746752      0.131301
      9.21299     19.08473      2.25037        -0.848456      0.095587     -0.103494
     11.23851     20.59481     18.37831         0.185320     -0.481272      0.388992
      7.02144      7.64561     17.52874         0.240390      0.140033     -0.094920
      7.10273      8.60749     16.51314         0.510449     -0.424569      0.116509
      7.31423      9.95987     16.82462        -0.202146     -0.296571      0.188846
      7.09417      8.01449     18.87466         0.109229     -0.322045     -0.517790
      7.13283      9.36664     19.18342         0.228587      0.402337     -0.082339
      7.25869     10.38087     18.18454        -0.040037      0.183706     -0.103908
      6.82621      6.29311     16.93911        -0.127716     -0.464953      0.013611
      7.09434      7.87391     15.18650        -0.354156     -0.413172      0.978203
      7.29430     11.84658     18.56640        -0.048819     -0.049320     -0.084948
      7.48577     12.91044     17.62816        -0.231786      0.284629      0.291733
      7.41174     14.24697     18.07168         0.062916     -0.011668      0.039328
      7.09622     12.21460     19.92099         0.151699     -0.005753     -0.209027
      7.09412     13.54057     20.35927         0.065095      0.174600     -0.226115
      7.21947     14.56377     19.42324         0.027087     -0.100507     -0.105940
      7.23695     16.04211     19.61885         0.004093      0.308975     -0.223555
      7.61024     15.54157     17.32077        -0.629180      0.052799      1.878776
      7.66200     18.02424     18.06971        -0.063506     -0.133781     -0.180748
      8.30725     18.45099     16.90414         0.182466     -0.647678     -0.020019
      8.63731     19.77589     16.71204         0.200544      0.242206     -0.318011
      7.37046     19.05467     18.98349        -0.097257      0.003677      0.088826
      7.52672     20.41769     18.64426        -0.259562      0.553149      0.149091
      8.18551     20.87956     17.44881         0.016215     -0.033945      0.053776
      8.60267      1.03119     16.99400         0.150249      0.104333     -0.309658
      9.09136      1.35574     15.67341         0.017042     -0.495969     -0.117569
      9.45800      2.69592     15.33280         0.193167      0.067119      0.220608
      8.63341      2.16226     17.85865        -0.092798     -0.365911      0.301414
      9.01806      3.45814     17.53329         0.201515      0.440700      0.431731
      9.47620      3.78508     16.24627        -0.056493      0.266444      0.193040
      9.40378      0.31945     14.48632        -0.223039      0.836413     -0.305847
      7.00645      0.11645     19.70040         0.299872      0.261920     -0.191453
      6.98828     10.85640      6.11290        -0.009967      0.321260      0.132781
      6.81300     11.33153      7.41981         0.031590     -0.036029     -0.227366
      6.93777     12.69281      7.73856        -0.014232     -0.063376     -0.264740
      7.33437     11.73263      5.08979        -0.157380     -0.102328      0.114154
      7.46476     13.08978      5.39481        -0.142586      0.180861      0.176913
      7.25299     13.62546      6.70262        -0.125839     -0.005388     -0.055714
      6.90021      9.38065      6.09457         0.094461     -0.752640     -0.106504
      6.60953     10.13971      8.29907         0.107683     -0.570725      0.183476
      7.35429     15.11847      6.93315        -0.120554      0.013726     -0.030795
      7.11019     15.74499      8.18945        -0.039510      0.215991     -0.129582
      7.22638     17.14820      8.30214         0.060468      0.224571     -0.202393
      7.70105     15.97664      5.84419        -0.180576     -0.296538      0.218931
      7.73165     17.35991      5.94696        -0.150697      0.349402      0.317203
      7.50302     17.95778      7.19618        -0.073252     -0.209188      0.087753
      7.71270     19.37932      7.64111         0.034494      0.586833     -0.057834
      7.22064     18.03497      9.50968         0.014689      0.291036      1.140137
      7.56984     20.58680      9.89090        -0.009779      0.070181      0.477555
      7.10360     20.56134     11.21925         0.067062     -0.705173     -0.385007
      6.93207      0.44349     11.98169         0.043562      0.415840      0.448519
      7.95860      0.61337      9.46507        -0.061140     -0.052106      0.119102
      7.98573      1.70598     10.38070         0.212952      0.698568      0.088209
      7.46117      1.72914     11.72841         0.050209      0.193536     -0.458641
      7.39441      2.94508     12.77162         0.090825     -0.493706     -0.331127
      6.89113      2.89675     14.11255         0.121885      0.855953      0.121928
      6.74541      4.02587     14.97543         0.243085      0.038042      0.074348
      7.82525      4.26372     12.52204         0.488078      0.263213     -0.216025
      7.64547      5.40995     13.32079        -0.210405     -0.080331     -0.168523
      7.06432      5.35523     14.59319         0.099052     -0.722105      0.003290
      6.23772      1.73388     14.71034        -0.945075     -1.550612      1.414224
      8.62619      2.92901      9.78934         0.059073      0.101464      0.615793
      4.03622     11.49891     10.76871         0.096067      0.266718     -0.123691
      3.76070     12.38633      9.71652         0.210468     -0.275287      0.213260
      3.82199     13.77110      9.89318         0.112368     -0.223124      0.073950
      4.37768     11.97850     12.03199         0.039453     -0.062765     -0.336739
      4.43518     13.36284     12.21928         0.016707      0.217568     -0.189368
      4.17025     14.29679     11.16854         0.066901     -0.185871     -0.076182
      3.85689     10.10113     10.31152        -0.088372     -0.315222     -0.098197
      3.39495     11.57464      8.51747        -0.093824     -0.091836     -0.481956
      4.27085     15.77822     11.38284         0.061661      0.045850      0.072651
      4.08469     16.71573     10.32294         0.039262      0.242034      0.121023
      4.14430     18.09707     10.60169         0.005380     -0.187702     -0.164935
      4.61548     16.28501     12.66622         0.021456      0.134973     -0.194154
      4.76096     17.65172     12.89615         0.064894      0.075135      0.327087
      4.42536     18.54337     11.88828         0.038052      0.127528     -0.342353
      4.37610     20.01038     11.89942         0.094320      2.200874      2.071480
      4.17275     19.31523      9.71086        -0.147386      0.305449      0.419512
      4.46922      0.62864     10.16161         0.140758      0.325428     -0.085233
      4.83073      0.96097      8.84945        -0.108180     -0.656504     -0.302612
      5.20272      2.24996      8.48349         0.050846      0.341683     -0.202342
      4.44552      1.75691     11.01825        -0.104624     -0.030363     -0.192100
      4.75618      3.09583     10.61181        -0.099986      0.134357      0.334205
      5.29045      3.40954      9.28467         0.039331      0.059382      0.602889
      5.88143      4.79256      8.72171         0.289135      0.222937     -0.151367
      6.39228      5.12658      7.39739         0.039852     -0.675975     -0.010814
      6.64479      6.46082      6.97853         0.163337      0.092940      0.324168
      5.85187      5.96860      9.50072        -0.306898     -1.196342      0.931014
      6.15185      7.25030      9.14123         0.091251      1.311415      0.183449
      6.51200      7.57918      7.84186         0.011561     -0.254461     -0.411859
      6.50176      4.05786      6.28413        -0.033353     -0.105754      0.465584
      4.53032      4.06377     11.81001        -0.064641      0.655185     -0.615413
      1.13491     14.33484      0.77546         0.201920      0.192989      0.184778
      1.73580     14.76673      1.97328        -0.360360     -0.251106     -0.223835
      1.69879     16.14426      2.32155        -0.198935     -0.391598     -0.299904
      0.70508     15.23795     21.06352        -0.224014     -0.684853     -0.068499
      0.75483     16.57989      0.10861        -0.147193      0.487192      0.121245
      1.14568     17.08150      1.38597         0.028202      0.057687     -0.286496
      1.14789     12.85914      0.67613         0.368978      0.531129      0.751655
      2.35413     13.50879      2.59068         0.762936     -0.807511      1.423576
      1.01166     18.57829      1.58200        -0.061099      0.118202     -0.013344
      1.37880     19.25810      2.77678        -0.267028      0.346282     -0.265731
      1.19727     20.65427      2.84382         0.001424     -0.024281     -0.111483
      0.52108     19.39267      0.50026        -0.038144     -0.214286      0.058256
      0.35220     20.77108      0.57455         0.101706      0.225068      0.640010
      0.67477      0.13660      1.78215        -0.092320     -0.279523     -0.418119
      0.68311      1.58615      2.08717        -0.230199      0.530181     -0.134463
      1.60923      0.36434      3.89623         0.342134      0.390292      0.627785
      1.44374      2.94280      4.04134         0.179555      0.216621      0.448764
      2.00762      2.95335      5.30633         0.000494     -0.475111      0.218097
      2.14777      4.10794      6.04140         0.115020     -0.126126      0.310008
      1.05250      4.21094      3.58100        -0.174013      0.329949     -0.027158
      1.24264      5.37854      4.36189        -0.332149      0.488357     -0.290774
      1.85699      5.43312      5.66408        -0.308555      0.375412     -0.688274
      2.18621      6.70073      6.49269         0.103128      0.106412      0.213672
      2.69472      6.65603      7.81524         0.229847     -0.034512      0.389721
      3.19538      7.74111      8.57720        -0.171087      0.432671     -0.176370
      2.14271      8.07198      6.09989        -0.546465     -0.470449     -0.725117
      2.57849      9.17232      6.81778         0.160027      0.495715      0.101234
      3.11801      9.07615      8.10698         0.044874     -1.136317      0.176707
      2.93618      5.35835      8.48120        -0.200601     -0.350183      1.024912
      0.63207      6.61309      3.72247        -0.328289     -0.372398      0.685780
      4.69041     14.08600      0.69207        -0.072692      0.144270      0.056766
      4.02360     15.00873     -0.12987        -0.004160     -0.327140      0.275141
      3.99477     16.38939      0.23585         0.197282     -0.492465     -0.129143
      5.39610     14.52818      1.81849        -0.054401     -0.207236     -0.279635
      5.41961     15.88535      2.13342        -0.049061      0.180103     -0.112542
      4.70193     16.86973      1.38520         0.153790      0.329716      0.151570
      4.54021     12.68403      0.17656        -0.125423      0.076792     -0.112206
      3.39952     14.17528     19.99113         0.059291     -0.061009     -0.345780
      4.76165     18.35655      1.84795         0.115369     -0.138554      0.115864
      4.08800     19.44761      1.21590         0.145471      0.515958      0.180742
      4.23926     20.78286      1.70121         0.193723      0.054095      0.071127
      5.56563     18.71303      2.98452        -0.151202     -0.001130     -0.137870
      5.71984     20.02203      3.46063        -0.084661      0.298683     -0.089955
      5.04743     21.06297      2.81329        -0.098425     -0.276040     -0.272581
      5.07885      1.27476      3.09076         0.451839      0.297450      0.463750
      3.70517      0.86854      1.21414        -0.021923      0.182210     -0.207153
      3.93458      3.31371      2.12179        -0.367853      0.465186     -0.781707
      3.06734      3.90473      1.18139        -0.139490     -0.043903      0.090295
      2.75199      5.27350      1.17381         0.017773     -0.179190     -0.083495
      4.39249      4.25531      3.05185         0.060172      0.391589      0.050872
      4.13826      5.65521      2.91552         0.198269      0.263436      0.150215
      3.35304      6.33363      1.92173         0.745034     -0.035989      0.974131
      3.14551      7.99614      1.88443         0.154209      0.135854     -0.418542
      2.20050      8.61078      1.01408         0.068372     -0.460184     -0.750553
      1.92033      9.98848      0.85551         0.142068     -0.104969      0.299848
      3.71722      9.05379      2.68945         0.478221     -1.113669      0.346306
      3.35665     10.40322      2.68312        -0.531496      0.480583      0.147052
      2.45491     10.95906      1.74583        -0.503553     -0.117151      0.242745
      1.54650      7.66924      0.03873        -0.672631      0.454495      0.658410
      4.81268      6.44715      3.98538        -0.209703      0.232328     -0.505150
     18.22519     17.31394     13.44553         0.141483      0.251296      0.216701
     19.27992     17.81344     14.22218        -0.164343      0.050062      0.004636
     19.53212     19.19439     14.33649        -0.424125     -0.285352      0.032698
     17.40657     18.19325     12.73505         0.090542     -0.170750      0.298795
     17.61060     19.56575     12.89198         0.249611      0.250701      0.154980
     18.65603     20.11816     13.69202         0.111839      0.126662      0.162148
     18.20223     15.82845     13.53141        -0.724006     -0.891388     -0.271286
     20.00821     16.64067     14.82135        -1.554391     -0.143723     -0.731061
     18.78808      0.36352     13.90243        -0.022057     -0.113098      0.074312
     19.82717      0.94036     14.69856        -0.230997      0.209113      0.153642
     19.78716      2.31230     15.02557        -0.383125     -0.014881      0.059256
     17.79365      1.25213     13.39804         0.266429     -0.217589      0.330692
     17.79203      2.62269     13.67570         0.067094      0.167872      0.268522
     18.78455      3.14949     14.51286         0.222772     -0.181704      0.069583
     18.98745      4.53901     15.03271        -0.149021      0.797786      0.150550
     20.60014      3.11613     16.01891        -0.812317      0.684771     -0.361857
     20.66786      5.63269     16.64937        -0.376440     -0.009817     -0.319989
      0.71050      5.60108     17.13774         0.483214     -0.120548      0.044541
      1.37855      6.78041     17.46788        -0.083699     -0.083922      0.231485
     20.09396      6.91212     16.66150        -0.030705      0.490385     -0.086834
     20.73343      8.03807     17.28220        -1.022615      0.029962     -0.131018
      0.82741      8.04374     17.74429         0.066218      0.253845     -0.221710
      1.69443      9.21117     18.35942         0.802994     -0.640749      0.379961
      3.03829      9.11438     18.96368        -0.676694     -0.045408     -0.110916
      3.67471     10.22350     19.63370        -0.305405     -0.303063     -0.528791
      1.18784     10.48640     18.57904        -1.276001      0.592372     -0.140009
      1.84821     11.62005     19.05353         0.924289     -0.280147      0.509310
      3.12864     11.53507     19.62821        -0.531027      0.617685     -0.255959
      3.93602      7.86464     18.87168         1.107350      2.091477      0.370459
     19.76971      9.19683     17.43214        -0.295346      0.440225      0.362723
      2.05378     18.17097     14.10627        -0.454006      0.014968      0.034845
      1.27572     19.13127     13.45845         0.133021     -0.174519     -0.261960
      1.38826     20.49358     13.76828        -0.115289     -0.575945     -0.099526
      3.00959     18.54132     15.04798        -0.227322      0.140052     -0.275292
      3.21672     19.89832     15.26318        -0.334696      0.548712     -0.089546
      2.36463     20.91079     14.71221        -0.376288     -0.098633     -0.228599
      1.70821     16.83820     13.58229         0.379663     -1.392625      0.337600
      0.43551     18.41034     12.42943        -0.038180      0.206212     -0.119417
      2.51543      1.10608     15.01044        -0.201397      0.123317     -0.032745
      1.77512      2.09492     14.29579         0.218043      0.599774     -0.010309
      2.09019      3.45595     14.48409        -0.288541     -0.107685      0.117311
      3.46147      1.54987     15.95796        -0.444877      0.188514     -0.022590
      3.74924      2.90739     16.14673        -0.107102      0.330842      0.098419
      3.09618      3.85061     15.36947        -0.469613      0.097537     -0.044784
      3.20085      5.33544     15.36980         0.526380      1.213914      0.705575
      1.38952      4.70213     13.99437         3.206257     -0.292472      2.220671
      1.62413      7.23265     14.57220         0.164222      0.066099      0.218859
      0.34035      7.54994     14.08675         0.310889     -0.384101      0.180217
     21.06808      8.83175     14.15779        -0.075851     -0.022448     -0.074705
      2.27579      8.34334     15.18028         0.053060      0.155276     -0.163127
      1.74608      9.66452     15.16415         0.144989      0.106101      0.110293
      0.42440      9.99165     14.64934         0.277045      0.203427      0.130153
     20.92091     11.34453     14.65232        -0.120430     -0.095718     -0.255247
     19.58133     11.63936     14.15108        -0.416230     -0.115114     -0.246260
     19.09873     12.96443     14.03764        -0.182412     -0.223356      0.055029
      0.30872     12.53536     15.02870        -0.021812     -0.033080     -0.161754
     -0.20504     13.81855     15.05182        -0.249018      0.580414     -0.123962
     19.78925     14.09490     14.52940        -0.284315     -0.140592     -0.067502
     18.53780     10.63369     13.55686         0.540318      0.511579      0.214898
      2.69541     10.69350     15.77353        -0.133413      0.422768     -0.394704
     16.10285      0.41568      5.18674         0.025700      0.246325      0.021164
     16.92529      0.89267      6.21656        -0.126708     -0.093743     -0.070750
     17.01745      2.26719      6.50123        -0.200444     -0.215752     -0.094176
     15.28183      1.29583      4.49099         0.230469     -0.186893      0.203834
     15.33739      2.65761      4.79797         0.151892      0.094693      0.181307
     16.22501      3.19870      5.76456        -0.042322      0.112424      0.102118
     16.35064     20.22804      4.94243         0.152873     -0.348180      0.011843
     17.63459     20.96085      6.80197        -0.209778     -0.403501     -0.279752
     16.27993      4.70091      5.99265        -0.068296      0.035892      0.088030
     17.15374      5.31047      6.94026        -0.245170      0.117938      0.028346
     17.10219      6.69989      7.15508        -0.291423      0.175668     -0.028438
     15.40012      5.58192      5.28942         0.172810     -0.303832      0.103345
     15.38099      6.96292      5.48377         0.255999      0.175143      0.230954
     16.25465      7.53173      6.41156        -0.008675     -0.294642      0.102847
     16.41493      8.94844      6.84711        -0.104854      0.674657      0.005555
     17.73509      7.54891      8.21520         0.213057      0.288864      0.825976
     17.79989     10.11107      8.61078         0.371780      0.202665      0.550589
     18.83546     10.01297      9.54589        -0.199747     -0.707349     -0.165569
     19.41280     11.12025     10.13074         0.345582      0.358487      0.174982
     17.36886     11.43633      8.38224        -0.003250     -0.060634     -0.018902
     17.88515     12.53224      9.11309        -0.233373      0.655575      0.007847
     18.97686     12.45846     10.06389        -0.119722      0.128980     -0.256795
     19.72170     13.60555     10.81908         0.587868     -0.725917      0.200989
     20.97440     13.48098     11.56126         0.274920      0.476355      0.174642
      0.39091     14.60120     12.13084        -0.189014     -0.273450     -0.422521
     19.28932     14.94021     10.84543         0.079021      0.017467      0.263116
     19.98754     16.06326     11.32055        -0.158721     -0.161493      0.098895
     21.21492     15.93515     11.96819         0.297139     -0.712689      0.272224
      0.56967     12.23739     11.75807         0.406615      0.424440      0.050383
     17.16604     13.83175      8.76861         0.063083     -0.122268      0.288169
     20.35721      1.28516      6.12880         0.045543      0.365501      0.061726
     19.80849      2.35360      5.38758         0.029502     -0.135072      0.281977
     19.84416      3.65782      5.84214         0.103584     -0.037581      0.276012
     20.88078      1.51502      7.39947        -0.026405      0.146658     -0.148375
     20.92883      2.83733      7.86279        -0.076221      0.278446      0.080415
     20.44683      3.94798      7.09696        -0.100712     -0.419195     -0.049291
     20.15402      0.03053      5.35783         0.473991     -0.438255      0.276535
     19.08103      1.79134      4.21034        -0.337425      0.584184     -0.298676
     20.56382      5.36405      7.53540        -0.135676      0.157042      0.235547
     20.16598      6.41204      6.67331        -0.054742     -0.132203      0.141956
     20.44464      7.73411      7.01533        -0.249482      0.052176      0.059603
     -0.15331      5.72849      8.78807        -0.180467      0.194109      0.228135
      0.17759      7.05132      9.09601        -0.019937      0.129304      0.443746
     21.12909      8.04606      8.17934        -0.276712     -0.089761      0.099846
      0.07337      9.49585      8.23396         1.050469      1.815407      1.405435
     20.07949      9.00955      6.34753        -0.138961      0.543715     -0.191207
     20.40633     11.49176      6.92606         0.037984      0.264737     -0.058282
     19.54500     11.90382      5.90146         0.046146     -0.554122      0.013485
     19.21795     13.22880      5.69211        -0.197676      0.371464     -0.243123
     20.93455     12.55459      7.69783         0.046694     -0.042345     -0.120416
     20.65438     13.90447      7.38953         0.269778      0.591881      0.035132
     19.71286     14.35731      6.36924         0.446253      0.147984      0.434846
     19.19317     15.80778      6.09528         0.003947     -0.088936     -0.164630
     18.31390     16.24237      5.03709         0.075001     -0.238714     -0.265254
     17.79287     17.55073      4.92957         0.162597      0.133873     -0.076946
     19.46796     16.91265      6.94125         0.356066     -0.312952      0.224210
     18.90949     18.17650      6.90020        -0.122232      0.567370      0.222420
     17.99039     18.54416      5.91299         0.223084     -0.243271     -0.107388
     17.76107     15.31489      3.96923         0.300787     -0.346883     -0.070945
      0.22348     14.88463      8.20556        -0.200923      0.230548     -0.346368
     12.47458      5.27156      4.08470         0.154289      0.028943     -0.124764
     12.94646      3.73108     20.59563         0.173397      0.045276     -0.065550
     12.96868      6.12116     21.07861        -0.078438     -0.022271      0.189192
     12.55496      7.46740      4.41747         0.242346     -0.017242     -0.182856
     13.23202      7.93883      0.12413        -0.114576     -0.157908     -0.096722
     13.53789     10.33063      0.41493        -0.046601      0.006759     -0.144856
     13.08320     13.56037      8.47953         0.073265     -0.116660      0.347348
     12.99284     11.76722      7.09043         0.331640      0.058421     -0.075426
     14.15324     14.24038      3.76196         0.134351     -0.198763      0.719022
     12.96918     17.14254     11.41955         0.010581      0.092804     -0.105068
     14.67983     17.76310      6.90284         0.260789     -0.270625      0.164096
     14.71560     19.54804      8.31098         0.098709     -0.181971      0.278835
     10.16361      6.87035      3.29980        -0.232175     -0.011241      0.062019
      9.47524      3.46468      6.88161         0.261678      0.041460      0.055059
      9.58920      5.83668      7.51599         0.196256      0.085496     -0.065341
     10.41905      8.74087      3.81979        -0.257408      0.114904      0.137041
      9.68692      7.72903      8.00742         0.088991     -0.092140     -0.126501
      9.91296     10.09300      8.62827        -0.007213     -0.076881     -0.024946
     12.28139     15.77408      2.54054        -0.032996      0.176970     -0.279233
     11.61218     13.66434      3.00071        -0.337876      0.049746     -0.017354
     10.63453     14.88259      6.97055        -0.298436      0.099390     -0.203900
     12.89667     20.22505      1.06716         0.292753     -0.006825      0.290762
     11.65744     19.23441      5.65110        -0.048707     -0.167789     -0.237801
     11.89051      0.16329      5.07510         0.311999     -0.178773     -0.144648
      9.89048      9.25707     17.28621         0.307125      0.024707      0.073213
     10.17046      7.76220     12.53250         0.171674     -0.002993     -0.092844
     10.24066     10.13916     13.01413         0.036779     -0.061990      0.356578
      9.96383     11.38872     17.68307         0.259735     -0.035895     -0.066731
     10.54079     12.04292     13.39974        -0.040799     -0.197281     -0.073071
     10.78067     14.43682     13.78264        -0.025335     -0.030436     -0.177874
      9.60163     17.69135      0.44524        -0.181734      0.140348      0.064843
      9.97726     15.84447     20.47620         0.033346      0.199194     -0.277618
     11.01067     18.31621     17.09538         0.427688     -0.043294      0.572322
      9.43197      0.05044      3.44509        -0.380773     -0.005351     -0.553514
     11.12418      0.77160     20.28301        -0.030137     -0.176643     -0.174906
     10.45606      2.61639      0.17923        -0.039136     -0.201899      0.200327
      7.60031     10.64837     16.03170        -0.413362      0.148155     -0.095682
      6.98297      7.25635     19.65019         0.272665      0.065824     -0.039913
      7.03127      9.61906     20.24465         0.209294      0.102825     -0.221744
      7.73443     12.71653     16.58166        -0.302885      0.002601      0.072079
      6.87655     11.46012     20.67856         0.237572      0.033436     -0.161324
      6.92598     13.76888      0.15055         0.327030     -0.022530     -0.112758
      9.43597     19.89204     16.00371        -0.133738      0.187507     -0.280936
      8.76089     17.72848     16.22071        -0.278529      0.131159      0.062728
      7.12620     18.79335     20.01462        -0.444308      0.096270     -0.275948
      9.62859      2.94704     14.29643         0.464287     -0.276792     -0.165081
      8.45319      2.03959     18.92714        -0.287683     -0.090487     -0.363508
      8.93811      4.21715     18.33222         0.202781     -0.346854     -0.457616
      6.80774     13.01607      8.77521         0.025787     -0.031011     -0.099768
      7.53856     11.35158      4.08619        -0.085566      0.081197     -0.005788
      7.77561     13.73892      4.56962        -0.150378     -0.016858      0.209763
      6.82820     15.16867      9.07543         0.148717      0.004599     -0.064144
      8.03211     15.55757      4.88954        -0.222510     -0.008004      0.135610
      8.09107     17.95621      5.10935        -0.284990     -0.002096     -0.015143
      6.24256      0.26665     12.78372         0.305288      0.081597      0.449399
      6.77569     19.60167     11.64023         0.062734      0.345452     -0.093880
      8.17088      0.79854      8.40327         0.229679     -0.141248      0.515221
      6.48820      3.85054     16.03353        -0.098165      0.160499     -0.825809
      8.29777      4.52792     11.59233         0.083304     -0.146700      0.086805
      7.89389      6.34568     12.83070         0.156922      0.215510      0.203976
      3.57311     14.42970      9.05817         0.058255     -0.124588      0.056881
      4.57180     11.28375     12.85123         0.017241      0.098362     -0.059548
      4.67831     13.70606     13.22999        -0.008860      0.074825     -0.220546
      3.92499     16.36014      9.30060        -0.058511      0.190071      0.096624
      4.70651     15.63372     13.54131         0.239809     -0.029552     -0.359814
      5.11159     18.02574     13.86407        -0.071665     -0.123372     -0.224825
      5.42465      2.30075      7.43683         0.187242      0.080932     -0.121829
      4.90338      0.19715      8.06285        -0.199755      0.185653      0.286040
      4.30341      1.57173     12.08076        -0.423089      0.113819     -0.259103
      6.87775      6.65410      5.93465         0.247080     -0.185005      0.245599
      5.46941      5.94599     10.51063         0.191556     -0.168014     -0.360919
      5.97205      8.02880      9.89429         0.234443     -0.214001     -0.247791
      2.11357     16.47134      3.27522        -0.029719      0.028847      0.040850
      0.40157     14.89353     20.06163        -0.038314      0.095535      0.425953
      0.47929     17.26457     20.55542         0.005373     -0.196303      0.355606
      1.83521     18.74451      3.62277        -0.092317     -0.067759      0.049180
      0.26781     18.96763     20.78467         0.041915     -0.119355      0.260991
      0.02356      0.12196     20.99064        -0.054572     -0.165948     -0.072861
      2.48899      3.80969      6.99938         0.052746      0.199407     -0.027717
      2.31280      2.02664      5.80053        -0.098481      0.188967     -0.229019
      0.60788      4.31529      2.58918        -0.046224     -0.059546      0.392632
      3.66070      7.55871      9.55135        -0.523109      0.051276     -0.377511
      1.73815      8.36764      5.14295         0.058199     -0.166886      0.053578
      2.48746     10.14639      6.34860        -0.072701      0.098190     -0.046523
      3.37078     17.06390     20.91636         0.139121      0.165368     -0.237038
      5.96842     13.80903      2.41388        -0.159532      0.077728      0.045922
      6.05046     16.15460      2.98831        -0.286726      0.136501     -0.154013
      3.42149     19.28494      0.36881         0.132962     -0.020102     -0.121056
      6.15771     17.96860      3.52209        -0.244084     -0.069144     -0.167184
      6.39415     20.26016      4.29521        -0.175094     -0.205661     -0.095347
      1.89498      5.39522      0.55861        -0.224809      0.249874     -0.394708
      2.46449      3.29637      0.50380         0.267437      0.024919      0.049818
      4.89692      3.91523      3.95106         0.138942      0.099975     -0.369191
      1.33221     10.28738     21.24261        -0.178441     -0.167894      0.531394
      4.40751      8.84281      3.51228        -0.098119      0.134258     -0.772882
      3.72552     10.98854      3.53105         0.159754      0.178321     -0.380165
     20.40837     19.52646     14.90258        -0.318784     -0.026300      0.082888
     16.61912     17.81511     12.08485        -0.125603     -0.004517     -0.005349
     16.91187     20.22114     12.36933         0.131658      0.053528     -0.017991
     20.64944      0.32840     15.08492        -0.249503      0.067156      0.111655
     16.95266      0.84827     12.83304         0.074841      0.060139     -0.060349
     16.97501      3.25013     13.31327         0.099021      0.057179     -0.058890
      2.42961      6.69396     17.35185         0.570570     -0.141419      0.509249
      1.29764      4.68111     17.12459        -0.095701      0.086378     -0.054319
     19.19501      7.08927     16.05397         0.070071     -0.090866      0.706580
      4.58824     10.03537     20.19282        -0.013236     -0.019460     -0.238219
      0.15459     10.74140     18.34128         0.359779     -0.326155     -0.121985
      1.32603     12.55962     18.95398        -0.051439      0.214517      0.132732
      0.71678     21.18526     13.24701         0.267813     -0.030247      0.107564
      3.64929     17.80175     15.51497         0.066205     -0.162084      0.150309
      4.13823     20.17437     15.77023        -0.167554      0.178929      0.417120
      0.96023      1.82588     13.60966         0.341003      0.118662      0.096836
      4.13409      0.82969     16.42228        -0.430497      0.003272      0.318267
      4.57634      3.22537     16.77694        -0.336540     -0.010121      0.325162
     20.05729      8.86131     13.80933        -0.276531      0.100385     -0.030126
     20.91203      6.77130     13.78177         0.088971     -0.128898     -0.365986
      3.15580      8.18046     15.81448         0.029048      0.046511     -0.701696
     18.18734     13.11448     13.45072         0.126250      0.030476      0.519345
      1.35711     12.57541     15.21371         0.214914     -0.276302      0.032890
      0.48213     14.61768     15.31748        -0.126137     -0.009444      0.161430
     17.75001      2.60561      7.23255        -0.160370     -0.014503      0.199644
     14.60597      0.89993      3.73735         0.194904      0.104404     -0.033501
     14.64942      3.31379      4.26225         0.326790     -0.002606      0.065544
     17.88027      4.72232      7.50413        -0.213771     -0.009707      0.100030
     14.68704      5.18817      4.56123         0.166603     -0.058137      0.108197
     14.66879      7.59312      4.95601         0.110770     -0.047122     -0.090000
     20.33717     10.84423     10.59179        -0.040445      0.203995      0.331003
     19.27147      9.03280      9.78581        -0.220455      0.367782     -0.091164
     16.65887     11.63841      7.57917        -0.021519     -0.071112      0.344559
      1.28516     14.43993     12.74755        -0.424474     -0.014126     -0.557106
     18.34311     15.19350     10.43082        -0.576752      0.066689     -0.207793
     19.52312     17.01936     11.13220         0.041007      0.318847      0.029864
     19.35496      4.42807      5.24750         0.086564     -0.027004     -0.062393
     21.21120      0.68096      8.02677         0.073783      0.139816     -0.097982
      0.12868      2.99730      8.84879        -0.280358      0.048253     -0.274997
     19.70921      6.17510      5.71449        -0.108037      0.195579      0.298657
      0.11637      4.97543      9.52745        -0.418225      0.091439     -0.041455
      0.67296      7.30542     10.04192        -0.165594     -0.098353     -0.136118
     18.48381     13.31777      4.92456        -0.229425      0.199549     -0.203361
     19.05006     11.16927      5.26911         0.130869      0.052370      0.038990
      0.27817     12.33414      8.58550         0.055078      0.091247     -0.548488
     17.11171     17.73922      4.10210         0.279963      0.103845      0.102248
     20.13731     16.83592      7.77541         0.065175     -0.163654     -0.203906
     19.22230     18.89418      7.66572        -0.139753     -0.204460     -0.163705
     13.97652     19.33346     10.75777        -0.035863     -0.143865     -0.126779
     18.83821     21.01209      3.71569         0.364236      0.098333     -0.128677
     12.68119      1.19870      2.67779        -0.062884      0.345654      0.026718
     13.62358     11.62404      4.43548        -0.478475     -1.264002      0.095007
      9.63772      2.63703      2.82416         0.013223      0.513723      0.057211
     10.54546     12.69991      5.35460         0.223507     -0.125778     -0.511339
      9.82312      5.17974     15.89457         0.222155     -0.103094     -0.119312
     10.65566     15.65268     17.80852        -0.269900     -0.355875      0.502038
      6.92770      6.45847     15.50476         0.306185     -0.044277      0.059320
      7.47124     16.62134     18.32523        -0.019483     -0.326575     -0.075895
      6.62285      8.95429      7.43031         0.185188      0.507360     -0.006884
      7.51835     19.40833      9.06823        -0.024572     -0.789473     -0.356304
      3.49508     10.17347      8.90909         0.090956      0.609064      0.136518
      4.25230     20.51403     10.58099        -0.059906     -0.799483     -0.129490
      2.06270     12.38348      1.66833        -0.033908     -0.450944      0.265813
      1.25875      1.71540      3.38510        -0.176461     -0.817006     -0.504773
      3.71418     12.75154     20.26874        -0.036194     -0.347884      0.217694
      4.18823      1.90351      2.16309         0.242526     -0.651480     -0.174970
     19.30927     15.43740     14.34348         0.468203      0.318413      0.380300
     20.06585      4.49471     15.98680         0.068537     -0.814033     -0.188220
      0.72129     17.00102     12.56531        -0.451102      0.389382      0.012192
      2.12544      5.86073     14.59129        -0.688053     -0.187924     -0.488166
     17.35265     19.82964      5.89840        -0.099187      0.214762     -0.048339
     17.35967      8.94896      7.92143        -0.372127     -0.797944     -0.248670
     19.36832      0.42980      4.27087        -0.557079     -0.665310     -0.848281
     20.65961     10.10480      7.14512        -0.381088     -0.947314     -0.482616
     12.29809      2.29333      4.77257        -0.030455      0.032604      0.315252
     13.29371      0.96887      0.40419         0.013572      0.623619      0.444962
     13.20735      9.90254      6.06067        -0.135805     -0.018635     -0.354420
     13.76198     12.64581      2.30439        -0.152360     -1.605789      0.775060
      9.85600      4.50390      1.35148        -0.117536     -0.080587      0.169916
      9.33191      1.44611      4.85810         0.159545      1.140685     -0.335742
     10.59576     11.63782      3.21419         0.114808      0.240244     -1.738104
     10.23992     12.92212      7.69509        -0.031972     -0.834698     -0.838610
      9.67846      6.33181     18.00053         0.207100     -0.017011      0.117813
     10.47155      4.91610     13.64212         1.225191     -2.711229     -3.586959
     10.28732     13.91225     19.41913         0.207699      0.083734     -0.528183
     10.89735     16.69051     15.71637        -0.036584     -1.081970      0.319624
      7.17964      8.33515     14.07098         0.012466      0.157789     -0.538786
      6.62339      5.22905     17.53002         0.205063      1.064278     -0.346959
      7.82914     15.70425     16.15056         0.056558      0.116606     -1.240247
      7.09670     16.68117     20.65995         0.007982     -0.465102     -0.430259
      6.51034     10.12159      9.52143         0.204639      0.043760     -0.539392
      7.09430      8.61701      5.14497        -0.113524      0.852408      0.536824
      7.02839     17.70334     10.68614         0.453090      0.247016     -1.292544
      8.02500     20.35861      6.96182        -0.429053     -0.800873      0.339221
      3.07701     11.97781      7.39972         0.258849     -0.253797      0.695975
      3.97352      9.06956     10.96734        -0.093411      0.558386     -0.221463
      4.21314     19.34412      8.50308        -0.126298     -0.027795     -0.638240
      4.42017     20.74840     12.92905        -0.128785     -1.827107     -2.188657
      2.99086     13.36125      3.65016        -1.074943      0.460380     -1.779870
      0.45975     12.19639     21.18706        -0.460232     -0.285938     -0.287833
      2.16575      0.13015      4.96613        -0.373939      0.124645     -0.902337
      0.29781      2.52618      1.38460         0.132672     -0.924982      0.441297
      2.79631     14.56153     18.99585         0.406696     -0.234778      0.646620
      5.03243     11.65638      0.64718        -0.234760      0.592899     -0.179251
      3.01481      1.10686      0.23006         0.535425     -0.193793      0.552085
      5.76220      1.86172      3.93494        -0.558601     -0.672712     -0.785690
     -0.30679     16.66967     15.57069         0.725029     -0.063730      0.714612
     17.39053     15.05023     13.01012         0.588501      0.995198      0.636010
      0.23172      2.73027     16.74286         0.095916     -0.129064      0.379764
     18.37404      5.56153     14.71384         0.331397     -0.836906      0.152699
     20.92265     18.89181     11.61083         0.295837     -0.107833      0.100698
      2.18040     15.74459     13.93920        -0.323411      1.240819     -0.074978
      0.39987      4.74914     13.35792        -2.691018      0.383436     -2.048817
      4.01136      6.04637     15.99626        -0.887152     -1.097861     -0.979490
     18.28380     20.88852      7.83192        -0.113523      0.097884     -0.142227
     15.86329     19.49674      4.07990         0.218569      0.661637      0.451390
     18.35669      7.17653      9.21061        -0.703306      0.246369     -0.812461
     15.86007      9.96025      6.41173         0.574359     -0.870662      0.075995
     18.33583      2.34310      3.39207         0.744490     -0.458705      0.613590
     20.58137     20.14487      5.53827        -0.379397      0.870473     -0.051646
     19.38791      9.15385      5.35118         0.053049     -0.056043      0.203482
      0.71713     10.14313      9.09004        -1.043105     -1.341199     -1.288769
     13.80394     17.56428      5.28451        -0.020935      0.078680      0.251147
     15.74109     16.65019      5.57952        -0.172180     -0.156092     -0.061574
     14.59366     16.36129      3.72111         0.243049     -0.327083     -0.298833
     11.97876     15.29965     11.37118        -0.042049      0.260774      0.391071
     11.43607     14.57969      9.41913        -0.020712      0.149149     -0.140167
     13.31479     13.93392     10.35812         0.187813      0.011906      0.238269
     11.88787     18.12538      7.24471         0.244261     -0.109574     -0.127168
      9.94019     18.40252      6.38572         0.220551      0.051310     -0.090715
     10.31500     16.80346      7.82784        -0.388540     -0.335850      0.289421
     13.08332     18.37201      0.08832        -0.142037      0.554015     -0.357514
     13.96460     16.94149      1.38298         0.767870     -0.349379      0.584455
     11.87573     16.79576      0.93950        -0.508372     -0.334429     -0.220623
     10.33570      0.32007     18.60183         0.134742      0.250866     -0.016997
     12.43173     -0.19472     18.86009         0.327823     -0.153351      0.151489
     11.37610     20.56208     17.03538         0.416872     -0.482114     -0.332640
      9.01329     19.30092      3.58835        -0.324850      0.144167     -0.045588
      7.99513     18.63518      1.74585         0.177227      0.351413     -0.030298
      9.98620     17.98089      2.23618         0.143163     -0.331864     -0.112540
      8.01402      0.75244     20.39096        -0.179680      0.107652     -0.090771
      6.22361      1.11083     19.18040        -0.152786     -0.101000     -0.152741
      6.28591     20.77905     20.67125        -0.561177     -0.426954      0.236829
      9.36439      1.01032     13.29652         0.593224     -0.189786      0.401087
     10.67931     21.13349     14.63711         0.318063     -0.030876     -0.089380
      8.66290     20.43673     14.20000         0.394464      0.762938      0.338494
      7.85690      4.06830      9.84452         0.359798     -0.145804     -0.021028
      9.80721      3.26577     10.40424         0.198919     -0.124286      0.179226
      8.90099      2.79484      8.49191         0.548454     -0.400793     -0.650750
      6.04363      1.86959     16.08718         0.504889     -0.071139     -0.484464
      5.00161      1.58282     14.14335         0.657237     -0.299801      0.092179
      6.76359      0.46522     14.67027         0.137911      0.497690     -0.168182
      5.55915      4.95043     11.95921        -0.461860     -0.026278      0.162140
      3.39909      4.87134     11.87173        -0.128257     -0.389671     -0.419961
      4.43510      3.42475     12.96736         0.142510     -0.552170      0.521312
      7.10172      4.44380      5.13238        -0.052874      0.455590     -0.056178
      7.19718      2.93421      6.62766         0.044956     -0.054481      0.397285
      5.24775      3.60493      5.95036        -0.005600     -0.332503      0.089227
     -0.27859      7.26296      4.50734        -0.164028     -0.069589     -0.052852
      1.52329      7.58457      3.45531         0.209760      0.248441     -0.249622
     -0.03258      6.34969      2.60122        -0.701133     -0.548650     -0.048747
      3.37157      5.50387      9.75631        -0.268453      0.259410     -0.556966
      1.91059      4.42647      8.66672         0.264227      0.319532     -0.047118
      3.85905      4.68806      7.77012        -0.036791      0.071186     -0.183425
      5.91863      7.08055      3.46861        -0.009899     -0.205306      0.141975
      4.04763      7.39195      4.60665        -0.115015      0.215423     -0.165018
      5.14924      5.68878      5.01767         0.263314     -0.121111      0.186051
      0.84272      8.23164     20.31732        -0.662697      0.795434     -0.236534
      2.52365      6.92530     -0.52363        -0.724860      0.120523     -0.252237
      0.59111      6.84319      0.58081         0.447689     -0.054599     -0.279953
     19.55057      9.46428     18.76517         0.092602     -0.004867      0.072545
     20.18534     10.39508     16.87370        -0.307439     -0.427392      0.317901
     18.53567      8.99128     16.90111         0.069296     -0.246281      0.077671
      4.82439      7.88432     19.93319         0.059702      0.329682      0.068805
      3.55245      6.61933     18.86693        -0.475430     -1.672537     -0.629757
      4.64349      8.02175     17.68854        -0.366688      0.151352      0.203157
      3.29239     11.48737     14.81044         0.062703     -0.130200     -0.430347
      2.08452     11.59381     16.59160         0.338864     -0.062987      0.036231
      3.72718     10.20400     16.49460         0.232801     -0.400050     -0.238644
     17.42961     11.24634     13.06498        -0.159152      0.261742     -0.173993
     19.01279      9.87261     12.52592        -0.061965     -0.045665     -0.288269
     18.07589      9.75547     14.46739        -0.109854     -0.407316      0.718646
     16.42918     14.29110      9.83505        -0.118148     -0.087393      0.083657
     17.98393     14.86145      8.41355         0.205399      0.199384      0.103018
     16.31623     13.71951      7.72641        -0.350690     -0.216297     -0.234457
      1.56774     12.42709     12.68213         0.035021     -0.040786     -0.140098
     21.21024     11.10722     12.16630         0.162576     -0.224697     -0.166016
      1.22256     11.91376     10.61356        -0.030151      0.240499     -0.222956
      0.95912     15.73130      7.41824         0.249970     -0.101177     -0.368827
     20.72923     15.71132      8.98963         0.216401     -0.023227      0.023017
      1.09284     14.32703      9.07827         0.377039     -0.443019     -0.160123
     17.04572     15.91371      2.99879         0.058547      0.497418     -0.374312
     18.74984     14.62404      3.31130         0.249209      0.054283     -0.182947
     16.90348     14.35748      4.47915        -0.023714      0.085671      0.093259
 -----------------------------------------------------------------------------------
    total drift:                               -0.014936     -0.023133     -0.015151


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4551.2761693044 eV

  energy  without entropy=    -4551.4244593538  energy(sigma->0) =    -4551.32559932
 
 d Force = 0.2974827E+01[-0.641E+00, 0.659E+01]  d Energy = 0.2944938E+01 0.299E-01
 d Force = 0.2388769E+04[ 0.236E+04, 0.242E+04]  d Ewald  = 0.2388743E+04 0.259E-01


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -2.944938  1 .order   -2.974827   -6.590203    0.640549
  (g-gl).g = 0.184E+02      g.g   = 0.182E+02  gl.gl    = 0.202E+02
 g(Force)  = 0.182E+02   g(Stress)= 0.000E+00 ortho     =-0.113E-01
 gamma     =   0.90862
 trial     =   0.36144
 opt step  =   0.32869  (harmonic =   0.32942) maximal distance =0.07446953
 next E    = -4551.305218   (d E  =  -2.97399)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   29(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3184
 total energy-change (2. order) : 0.1584130E-01  (-0.1999864E+01)
 number of electron    2498.0000041 magnetization 
 augmentation part      162.6965435 magnetization 

  free energy =  -0.455126031871E+04  energy without entropy=  -0.455140879480E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   29(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3568
 total energy-change (2. order) :-0.4538571E-01  (-0.5385239E-01)
 number of electron    2498.0000041 magnetization 
 augmentation part      162.6952175 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8351
  0.8351

  free energy =  -0.455130570443E+04  energy without entropy=  -0.455145407292E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   29(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3672
 total energy-change (2. order) : 0.1208850E-02  (-0.9992662E-03)
 number of electron    2498.0000041 magnetization 
 augmentation part      162.6941548 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3666
  1.1515  1.5818

  free energy =  -0.455130449558E+04  energy without entropy=  -0.455145296779E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   29(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) :-0.5081391E-03  (-0.7990680E-03)
 number of electron    2498.0000041 magnetization 
 augmentation part      162.6972004 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2674
  2.1420  0.9380  0.7222

  free energy =  -0.455130500372E+04  energy without entropy=  -0.455145337567E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   29(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) :-0.2218273E-03  (-0.1881101E-03)
 number of electron    2498.0000041 magnetization 
 augmentation part      162.6959839 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2674
  2.3128  0.8855  0.9357  0.9357

  free energy =  -0.455130522554E+04  energy without entropy=  -0.455145366952E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   29(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3640
 total energy-change (2. order) : 0.7386625E-04  (-0.7968805E-04)
 number of electron    2498.0000041 magnetization 
 augmentation part      162.6949713 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2291
  2.4067  1.1040  1.1040  0.7654  0.7654

  free energy =  -0.455130515168E+04  energy without entropy=  -0.455145357483E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   29(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3424
 total energy-change (2. order) :-0.1091426E-04  (-0.2921538E-04)
 number of electron    2498.0000041 magnetization 
 augmentation part      162.6948861 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2139
  2.4279  1.1786  1.1786  0.9216  0.9216  0.6547

  free energy =  -0.455130516259E+04  energy without entropy=  -0.455145360466E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   29(   8)  ---------------------------------------



 eigenvalue-minimisations  :  2600
 total energy-change (2. order) : 0.3852037E-05  (-0.2775204E-05)
 number of electron    2498.0000041 magnetization 
 augmentation part      162.6948861 magnetization 

  free energy =  -0.455130515874E+04  energy without entropy=  -0.455145360320E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0417       2 -56.2228       3 -56.1234       4 -55.8065       5 -55.8460
       6 -56.3514       7 -58.0434       8 -58.3535       9 -56.3611      10 -56.0847
      11 -56.1418      12 -55.8559      13 -55.8069      14 -56.0401      15 -58.0407
      16 -58.1791      17 -56.2774      18 -54.8707      19 -54.7062      20 -55.1139
      21 -55.5801      22 -55.5716      23 -55.6645      24 -55.6167      25 -55.0247
      26 -54.7303      27 -54.9005      28 -54.9801      29 -60.3668      30 -60.3424
      31 -55.6612      32 -55.8757      33 -55.7725      34 -55.2647      35 -55.5267
      36 -56.0102      37 -57.8167      38 -58.1338      39 -56.1004      40 -55.8311
      41 -55.9628      42 -55.7399      43 -55.7590      44 -55.9161      45 -58.0593
      46 -58.2934      47 -56.4568      48 -55.1153      49 -54.9140      50 -55.2679
      51 -55.8690      52 -55.7947      53 -55.6997      54 -55.7201      55 -55.0766
      56 -54.7495      57 -54.9079      58 -56.2986      59 -60.3881      60 -60.5849
      61 -55.9498      62 -56.0701      63 -55.9416      64 -55.7239      65 -55.7824
      66 -56.2318      67 -58.1008      68 -58.1918      69 -56.2573      70 -55.9658
      71 -56.1055      72 -55.7534      73 -55.6801      74 -55.9471      75 -58.0374
      76 -58.2879      77 -56.4333      78 -55.0148      79 -54.8568      80 -55.2810
      81 -55.7492      82 -55.7747      83 -55.7959      84 -55.8394      85 -55.0573
      86 -54.9393      87 -55.0680      88 -56.3866      89 -60.6464      90 -60.4213
      91 -55.6847      92 -55.7813      93 -55.6774      94 -55.3945      95 -55.4983
      96 -55.9905      97 -57.8597      98 -58.0349      99 -56.1004     100 -55.8937
     101 -56.0150     102 -55.5814     103 -55.6276     104 -55.9073     105 -58.0604
     106 -58.3036     107 -56.4481     108 -55.0387     109 -54.9052     110 -55.2953
     111 -55.7984     112 -55.7354     113 -55.7251     114 -55.8719     115 -55.2029
     116 -54.8673     117 -54.9602     118 -56.3576     119 -60.4818     120 -60.4620
     121 -55.9365     122 -56.0189     123 -55.8852     124 -55.7618     125 -55.7849
     126 -56.1735     127 -57.9922     128 -58.2116     129 -56.0858     130 -55.7838
     131 -55.9161     132 -55.6285     133 -55.5537     134 -55.8246     135 -57.8760
     136 -58.0733     137 -56.3278     138 -54.9326     139 -54.7879     140 -55.1742
     141 -55.7070     142 -55.8191     143 -55.8441     144 -55.8115     145 -55.1731
     146 -54.9869     147 -55.1162     148 -56.4099     149 -60.5072     150 -60.4810
     151 -55.6015     152 -55.6950     153 -55.5543     154 -55.3574     155 -55.4460
     156 -55.8822     157 -57.8491     158 -57.9082     159 -55.9472     160 -55.7267
     161 -55.9218     162 -55.5332     163 -55.5802     164 -55.8199     165 -57.9640
     166 -58.1969     167 -56.4900     168 -55.1142     169 -54.8926     170 -55.3053
     171 -55.9236     172 -55.9350     173 -55.8475     174 -55.7180     175 -55.1662
     176 -54.6614     177 -54.8816     178 -56.2753     179 -60.4303     180 -60.5255
     181 -55.9302     182 -56.1727     183 -55.9992     184 -55.7006     185 -55.7158
     186 -56.2535     187 -57.9757     188 -58.2283     189 -56.2595     190 -55.9063
     191 -56.0604     192 -55.8001     193 -55.7215     194 -55.9489     195 -58.0194
     196 -58.2743     197 -56.4111     198 -54.9126     199 -54.8512     200 -55.2531
     201 -55.7959     202 -55.8820     203 -55.8353     204 -55.8042     205 -55.1905
     206 -55.0735     207 -55.0443     208 -56.4021     209 -60.6692     210 -60.4563
     211 -55.9899     212 -56.1646     213 -55.9565     214 -55.7515     215 -55.7417
     216 -56.2514     217 -58.1063     218 -58.3500     219 -56.1684     220 -55.8508
     221 -55.9750     222 -55.6387     223 -55.5099     224 -55.8233     225 -57.9077
     226 -58.2175     227 -56.3662     228 -54.9067     229 -54.9063     230 -55.0677
     231 -55.6252     232 -55.8959     233 -55.9397     234 -55.5450     235 -55.1769
     236 -54.9681     237 -55.0832     238 -56.4290     239 -60.2814     240 -60.3184
     241 -55.9501     242 -56.0029     243 -55.8928     244 -55.7293     245 -55.7771
     246 -56.2055     247 -57.9804     248 -58.2144     249 -56.2343     250 -55.9348
     251 -56.0698     252 -55.7818     253 -55.7800     254 -55.9856     255 -58.0062
     256 -58.1756     257 -56.3668     258 -55.0727     259 -54.8656     260 -55.1608
     261 -55.7534     262 -55.8045     263 -55.8484     264 -55.8846     265 -55.4157
     266 -54.8862     267 -55.1240     268 -56.4445     269 -60.5354     270 -60.3097
     271 -55.8788     272 -55.9534     273 -55.7690     274 -55.7025     275 -55.6740
     276 -56.0477     277 -58.1079     278 -58.1798     279 -55.7832     280 -55.6185
     281 -55.6847     282 -55.3734     283 -55.2874     284 -55.6399     285 -57.8915
     286 -58.1335     287 -56.5036     288 -55.0710     289 -54.8974     290 -55.3529
     291 -55.8053     292 -55.7800     293 -55.7517     294 -55.7181     295 -55.0438
     296 -54.7666     297 -54.8819     298 -56.3069     299 -60.3778     300 -60.5079
     301 -55.9050     302 -56.0439     303 -55.8893     304 -55.6049     305 -55.6640
     306 -56.1442     307 -58.0575     308 -58.2739     309 -56.1949     310 -55.8725
     311 -56.0416     312 -55.7301     313 -55.6866     314 -55.9332     315 -57.9568
     316 -58.1684     317 -56.3387     318 -54.9011     319 -54.7725     320 -55.1336
     321 -55.6852     322 -55.7389     323 -55.8074     324 -55.7936     325 -55.1025
     326 -54.9951     327 -55.1414     328 -56.4419     329 -60.4911     330 -60.2776
     331 -55.7928     332 -55.8251     333 -55.6842     334 -55.6272     335 -55.6158
     336 -56.0218     337 -57.9579     338 -57.9527     339 -55.8401     340 -55.5675
     341 -55.7174     342 -55.4580     343 -55.4611     344 -55.6842     345 -57.8200
     346 -57.9687     347 -56.3508     348 -54.8527     349 -54.7761     350 -55.2181
     351 -55.6952     352 -55.7542     353 -55.7021     354 -55.5909     355 -55.0925
     356 -54.6669     357 -54.8448     358 -56.2782     359 -60.3016     360 -60.4211
     361 -39.1665     362 -38.8126     363 -38.9656     364 -39.1691     365 -39.0451
     366 -38.8022     367 -38.1312     368 -37.9630     369 -37.9363     370 -38.1511
     371 -38.1568     372 -38.1061     373 -38.9059     374 -38.4027     375 -38.6960
     376 -38.9473     377 -38.8784     378 -38.8002     379 -38.2507     380 -38.1123
     381 -38.1640     382 -37.9467     383 -38.1121     384 -37.9125     385 -38.9468
     386 -38.7685     387 -38.8347     388 -38.9795     389 -38.8805     390 -38.6213
     391 -38.2651     392 -38.0332     393 -38.1216     394 -37.8986     395 -38.1994
     396 -38.1655     397 -38.8292     398 -38.3397     399 -38.6394     400 -38.9113
     401 -38.6354     402 -38.7813     403 -38.2701     404 -38.0520     405 -38.2173
     406 -38.1651     407 -37.9693     408 -37.7906     409 -38.8414     410 -38.8031
     411 -38.9467     412 -38.7799     413 -38.8415     414 -38.5601     415 -38.0818
     416 -38.0482     417 -37.9859     418 -37.9958     419 -38.1755     420 -38.2571
     421 -38.6173     422 -38.2973     423 -38.5167     424 -38.7361     425 -38.5885
     426 -38.6401     427 -38.1630     428 -37.9941     429 -38.2515     430 -38.1125
     431 -37.9929     432 -37.8658     433 -38.9230     434 -38.6079     435 -38.9197
     436 -38.8612     437 -38.9708     438 -38.6999     439 -38.4424     440 -37.9803
     441 -38.1130     442 -38.1026     443 -38.2144     444 -38.0699     445 -38.9516
     446 -38.8105     447 -38.8393     448 -38.8277     449 -38.7002     450 -38.3344
     451 -38.1202     452 -37.8349     453 -38.0156     454 -38.0625     455 -37.9025
     456 -38.0313     457 -38.9392     458 -38.7209     459 -38.9027     460 -38.9669
     461 -38.9351     462 -38.7297     463 -38.3328     464 -38.1922     465 -37.9981
     466 -38.3760     467 -37.9843     468 -38.2517     469 -38.9279     470 -38.8873
     471 -38.7548     472 -38.7407     473 -38.5018     474 -38.2774     475 -38.2467
     476 -38.1212     477 -38.2121     478 -37.9025     479 -38.1767     480 -37.9290
     481 -38.9267     482 -38.7247     483 -38.8554     484 -38.9106     485 -38.8890
     486 -38.7958     487 -38.1338     488 -37.9867     489 -37.9895     490 -38.0108
     491 -38.2504     492 -38.3189     493 -38.8735     494 -38.5607     495 -38.6185
     496 -38.7021     497 -38.5293     498 -38.4065     499 -38.1017     500 -37.8495
     501 -38.0895     502 -37.9917     503 -37.9968     504 -37.8020     505 -38.2700
     506 -41.0633     507 -71.5739     508 -71.5731     509 -71.4913     510 -71.5619
     511 -71.2516     512 -71.6290     513 -71.3797     514 -71.5185     515 -71.5240
     516 -71.4111     517 -71.3657     518 -71.5588     519 -71.5021     520 -71.6421
     521 -71.5498     522 -71.5198     523 -71.5079     524 -71.4235     525 -71.6679
     526 -71.3558     527 -71.5457     528 -71.5036     529 -71.2529     530 -71.4449
     531 -77.0651     532 -76.6573     533 -76.9042     534 -76.5905     535 -76.8239
     536 -76.4562     537 -77.1370     538 -76.6825     539 -76.8965     540 -77.0385
     541 -76.9550     542 -76.6211     543 -76.7687     544 -76.5477     545 -77.0992
     546 -76.7326     547 -76.8959     548 -76.6597     549 -76.7298     550 -76.4945
     551 -76.5788     552 -76.5429     553 -76.9030     554 -76.4896     555 -76.7250
     556 -76.7702     557 -76.9585     558 -76.6815     559 -76.9517     560 -76.8091
     561 -76.8684     562 -76.5106     563 -76.9987     564 -76.5431     565 -76.9158
     566 -76.6130     567 -76.8333     568 -76.7524     569 -77.0828     570 -76.4591
     571 -76.9812     572 -76.7277     573 -76.8053     574 -76.5913     575 -76.5546
     576 -76.5764     577 -76.6603     578 -76.3274     579 -82.4510     580 -82.2313
     581 -82.4815     582 -82.4163     583 -82.2200     584 -82.2327     585 -82.3954
     586 -82.4789     587 -82.6468     588 -82.2190     589 -82.1994     590 -82.4100
     591 -82.4893     592 -82.2368     593 -82.4930     594 -82.5916     595 -82.3278
     596 -82.7863     597 -82.3169     598 -82.3626     599 -82.5857     600 -82.2292
     601 -82.3693     602 -82.1027     603 -82.5058     604 -82.3337     605 -82.8193
     606 -82.2838     607 -82.4211     608 -82.4666     609 -82.4957     610 -82.0850
     611 -82.6891     612 -82.4245     613 -82.2559     614 -82.2529     615 -82.3543
     616 -82.6420     617 -82.5198     618 -82.6650     619 -82.6162     620 -82.8794
     621 -82.1788     622 -82.3472     623 -82.6267     624 -82.4571     625 -82.4991
     626 -82.0688     627 -82.0978     628 -82.2445     629 -82.2768     630 -82.2147
     631 -82.7834     632 -82.2111     633 -82.2763     634 -82.4666     635 -82.5602
     636 -82.2706     637 -82.2838     638 -82.2982     639 -82.1022     640 -82.2617
     641 -82.3166     642 -82.2853     643 -82.6010     644 -82.3776     645 -82.2815
     646 -82.4141     647 -82.5496     648 -82.3541     649 -82.1666     650 -82.1607
 
 
 
 E-fermi :  -1.3481     XC(G=0):  -6.4239     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.2843      2.00000
      2     -29.2226      2.00000
      3     -29.1822      2.00000
      4     -29.0981      2.00000
      5     -29.0868      2.00000
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     10     -28.9420      2.00000
     11     -28.9414      2.00000
     12     -28.9270      2.00000
     13     -28.9078      2.00000
     14     -28.8831      2.00000
     15     -28.8522      2.00000
     16     -28.8229      2.00000
     17     -28.8157      2.00000
     18     -28.7718      2.00000
     19     -28.7396      2.00000
     20     -28.6635      2.00000
     21     -28.6570      2.00000
     22     -28.6149      2.00000
     23     -28.5199      2.00000
     24     -28.5076      2.00000
     25     -27.1264      2.00000
     26     -26.9013      2.00000
     27     -26.8378      2.00000
     28     -26.8223      2.00000
     29     -26.7950      2.00000
     30     -26.7309      2.00000
     31     -26.7055      2.00000
     32     -26.6801      2.00000
     33     -26.6699      2.00000
     34     -26.6518      2.00000
     35     -26.6360      2.00000
     36     -26.6203      2.00000
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     38     -26.5702      2.00000
     39     -26.5624      2.00000
     40     -26.5456      2.00000
     41     -26.5419      2.00000
     42     -26.5075      2.00000
     43     -26.4788      2.00000
     44     -26.4785      2.00000
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     46     -26.4414      2.00000
     47     -26.4152      2.00000
     48     -26.4076      2.00000
     49     -26.4036      2.00000
     50     -26.4016      2.00000
     51     -26.3861      2.00000
     52     -26.3806      2.00000
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     55     -26.3587      2.00000
     56     -26.3547      2.00000
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     59     -26.3375      2.00000
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     64     -26.2636      2.00000
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     66     -26.2543      2.00000
     67     -26.2073      2.00000
     68     -26.1904      2.00000
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     70     -26.1507      2.00000
     71     -26.1195      2.00000
     72     -26.0292      2.00000
     73     -23.5930      2.00000
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     91     -22.9729      2.00000
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     95     -22.8898      2.00000
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    121     -20.4278      2.00000
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    210     -16.0542      2.00000
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   1104      -3.7681      2.00000
   1105      -3.7470      2.00000
   1106      -3.7246      2.00000
   1107      -3.7161      2.00000
   1108      -3.6778      2.00000
   1109      -3.6731      2.00000
   1110      -3.6651      2.00000
   1111      -3.6456      2.00000
   1112      -3.6385      2.00000
   1113      -3.5719      2.00000
   1114      -3.5401      2.00000
   1115      -3.5291      2.00000
   1116      -3.5042      2.00000
   1117      -3.4680      2.00000
   1118      -3.4607      2.00000
   1119      -3.4490      2.00000
   1120      -3.3992      2.00000
   1121      -3.3729      2.00000
   1122      -3.3685      2.00000
   1123      -3.3562      2.00000
   1124      -3.3003      2.00000
   1125      -3.2872      2.00000
   1126      -3.2724      2.00000
   1127      -3.2551      2.00000
   1128      -3.2371      2.00000
   1129      -3.2099      2.00000
   1130      -3.1872      2.00000
   1131      -3.1817      2.00000
   1132      -3.1778      2.00000
   1133      -3.1588      2.00000
   1134      -3.1241      2.00000
   1135      -3.1210      2.00000
   1136      -3.0910      2.00000
   1137      -3.0694      2.00000
   1138      -3.0655      2.00000
   1139      -3.0545      2.00000
   1140      -3.0458      2.00000
   1141      -3.0358      2.00000
   1142      -3.0343      2.00000
   1143      -3.0309      2.00000
   1144      -3.0215      2.00000
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   1146      -3.0020      2.00000
   1147      -2.9949      2.00000
   1148      -2.9893      2.00000
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   1150      -2.9753      2.00000
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   1152      -2.9694      2.00000
   1153      -2.9579      2.00000
   1154      -2.9432      2.00000
   1155      -2.9416      2.00000
   1156      -2.9273      2.00000
   1157      -2.9168      2.00000
   1158      -2.9135      2.00000
   1159      -2.9009      2.00000
   1160      -2.8938      2.00000
   1161      -2.8879      2.00000
   1162      -2.8774      2.00000
   1163      -2.8587      2.00000
   1164      -2.8491      2.00000
   1165      -2.8168      2.00000
   1166      -2.8060      2.00000
   1167      -2.7895      2.00000
   1168      -2.7763      2.00000
   1169      -2.7617      2.00000
   1170      -2.7518      2.00000
   1171      -2.7140      2.00000
   1172      -2.6915      2.00000
   1173      -2.6899      2.00000
   1174      -2.6793      2.00000
   1175      -2.6652      2.00000
   1176      -2.6617      2.00000
   1177      -2.6456      2.00000
   1178      -2.6236      2.00000
   1179      -2.6137      2.00000
   1180      -2.5998      2.00000
   1181      -2.5946      2.00000
   1182      -2.5749      2.00000
   1183      -2.5463      2.00000
   1184      -2.5367      2.00000
   1185      -2.5321      2.00000
   1186      -2.5200      2.00000
   1187      -2.5079      2.00000
   1188      -2.4929      2.00000
   1189      -2.4865      2.00000
   1190      -2.4811      2.00000
   1191      -2.4759      2.00000
   1192      -2.4616      2.00000
   1193      -2.4508      2.00000
   1194      -2.4440      2.00000
   1195      -2.4356      2.00000
   1196      -2.4342      2.00000
   1197      -2.4195      2.00000
   1198      -2.4176      2.00000
   1199      -2.4149      2.00000
   1200      -2.4053      2.00000
   1201      -2.3961      2.00000
   1202      -2.3922      2.00000
   1203      -2.3868      2.00000
   1204      -2.3776      2.00000
   1205      -2.3720      2.00000
   1206      -2.3693      2.00000
   1207      -2.3604      2.00000
   1208      -2.3476      2.00000
   1209      -2.3421      2.00000
   1210      -2.3324      2.00000
   1211      -2.3238      2.00000
   1212      -2.3184      2.00000
   1213      -2.3063      2.00000
   1214      -2.3035      2.00000
   1215      -2.2921      2.00000
   1216      -2.2875      2.00000
   1217      -2.2769      2.00000
   1218      -2.2766      2.00000
   1219      -2.2607      2.00000
   1220      -2.2516      2.00000
   1221      -2.2335      2.00000
   1222      -2.2248      2.00000
   1223      -2.2046      2.00000
   1224      -2.2010      2.00000
   1225      -2.2003      2.00000
   1226      -2.1903      2.00000
   1227      -2.1662      2.00000
   1228      -2.1538      2.00000
   1229      -2.1383      2.00000
   1230      -2.1205      2.00000
   1231      -2.0957      2.00000
   1232      -2.0908      2.00000
   1233      -2.0704      2.00000
   1234      -2.0490      2.00001
   1235      -2.0260      2.00002
   1236      -2.0196      2.00002
   1237      -1.9759      2.00008
   1238      -1.7374      2.01894
   1239      -1.6366      2.06026
   1240      -1.6055      2.06982
   1241      -1.5859      2.07051
   1242      -1.5721      2.06704
   1243      -1.5535      2.05538
   1244      -1.5387      2.03908
   1245      -1.5226      2.01276
   1246      -1.5074      1.97827
   1247      -1.4947      1.94160
   1248      -1.4734      1.86318
   1249      -1.4644      1.82301
   1250       0.0195     -0.00000
   1251       0.0545     -0.00000
   1252       0.1171     -0.00000
   1253       0.1294     -0.00000
   1254       0.1635     -0.00000
   1255       0.1929     -0.00000
   1256       0.2270     -0.00000
   1257       0.2610     -0.00000
   1258       0.2798     -0.00000
   1259       0.3380     -0.00000
   1260       0.3481     -0.00000
   1261       0.4184     -0.00000
   1262       0.5207     -0.00000
   1263       0.5873     -0.00000
   1264       0.6207     -0.00000
   1265       0.6285     -0.00000
   1266       0.6680     -0.00000
   1267       0.6882     -0.00000
   1268       0.7013     -0.00000
   1269       0.7215     -0.00000
   1270       0.7326     -0.00000
   1271       0.7529     -0.00000
   1272       0.7761     -0.00000
   1273       0.7914     -0.00000
   1274       0.8448     -0.00000
   1275       0.8495     -0.00000
   1276       0.8611     -0.00000
   1277       0.8838     -0.00000
   1278       0.9013     -0.00000
   1279       0.9283     -0.00000
   1280       1.0323     -0.00000
   1281       1.0550     -0.00000
   1282       1.0706     -0.00000
   1283       1.0963     -0.00000
   1284       1.1051     -0.00000
   1285       1.1473     -0.00000
   1286       1.2256     -0.00000
   1287       1.2559     -0.00000
   1288       1.3327     -0.00000
   1289       1.3439     -0.00000
   1290       1.3626     -0.00000
   1291       1.4560     -0.00000
   1292       1.5294     -0.00000
   1293       1.5364     -0.00000
   1294       1.5690     -0.00000
   1295       1.6318     -0.00000
   1296       1.6472     -0.00000
   1297       1.6710     -0.00000
   1298       1.7905     -0.00000
   1299       1.8268     -0.00000
   1300       1.8859     -0.00000
   1301       1.8908     -0.00000
   1302       1.9170     -0.00000
   1303       1.9482     -0.00000
   1304       1.9999     -0.00000
   1305       2.0144     -0.00000
   1306       2.0432     -0.00000
   1307       2.0805     -0.00000
   1308       2.0826     -0.00000
   1309       2.1028     -0.00000
   1310       2.1143     -0.00000
   1311       2.1308     -0.00000
   1312       2.1749     -0.00000
   1313       2.1894     -0.00000
   1314       2.1968     -0.00000
   1315       2.2332     -0.00000
   1316       2.2415     -0.00000
   1317       2.2924     -0.00000
   1318       2.2962     -0.00000
   1319       2.3404     -0.00000
   1320       2.3609     -0.00000
   1321       2.3949     -0.00000
   1322       2.4149     -0.00000
   1323       2.4359     -0.00000
   1324       2.4508     -0.00000
   1325       2.4743     -0.00000
   1326       2.5113     -0.00000
   1327       2.5152     -0.00000
   1328       2.5336     -0.00000
   1329       2.5417     -0.00000
   1330       2.5614     -0.00000
   1331       2.5733     -0.00000
   1332       2.5905     -0.00000
   1333       2.5988     -0.00000
   1334       2.6103     -0.00000
   1335       2.6521     -0.00000
   1336       2.6659     -0.00000
   1337       2.6694     -0.00000
   1338       2.7026     -0.00000
   1339       2.7158     -0.00000
   1340       2.7342     -0.00000
   1341       2.7484     -0.00000
   1342       2.7535     -0.00000
   1343       2.7962     -0.00000
   1344       2.8008     -0.00000
   1345       2.8483     -0.00000
   1346       2.9237     -0.00000
   1347       2.9804     -0.00000
   1348       3.0319     -0.00000
   1349       3.0496     -0.00000
   1350       3.0568     -0.00000
   1351       3.0872     -0.00000
   1352       3.1107     -0.00000
   1353       3.1148     -0.00000
   1354       3.1478     -0.00000
   1355       3.1695     -0.00000
   1356       3.1866     -0.00000
   1357       3.1956     -0.00000
   1358       3.2196     -0.00000
   1359       3.2446     -0.00000
   1360       3.2736     -0.00000
   1361       3.3086     -0.00000
   1362       3.3965     -0.00000
   1363       3.4530     -0.00000
   1364       3.5048     -0.00000
   1365       3.5979     -0.00000
   1366       3.6321     -0.00000
   1367       3.6613     -0.00000
   1368       3.6967     -0.00000
   1369       3.7376     -0.00000
   1370       3.7543     -0.00000
   1371       3.7625     -0.00000
   1372       3.7830     -0.00000
   1373       3.8104     -0.00000
   1374       3.8363     -0.00000
   1375       3.8388     -0.00000
   1376       3.8591     -0.00000
   1377       3.8936     -0.00000
   1378       3.8991     -0.00000
   1379       3.9222     -0.00000
   1380       3.9337     -0.00000
   1381       3.9374     -0.00000
   1382       3.9658     -0.00000
   1383       3.9776      0.00000
   1384       4.0049      0.00000
   1385       4.0154      0.00000
   1386       4.0288      0.00000
   1387       4.0495      0.00000
   1388       4.0587      0.00000
   1389       4.0655      0.00000
   1390       4.0762      0.00000
   1391       4.0848      0.00000
   1392       4.0927      0.00000
   1393       4.1167      0.00000
   1394       4.1240      0.00000
   1395       4.1367      0.00000
   1396       4.1387      0.00000
   1397       4.1498      0.00000
   1398       4.1648      0.00000
   1399       4.1815      0.00000
   1400       4.1951      0.00000
   1401       4.1976      0.00000
   1402       4.2140      0.00000
   1403       4.2409      0.00000
   1404       4.2443      0.00000
   1405       4.2665      0.00000
   1406       4.2685      0.00000
   1407       4.2823      0.00000
   1408       4.2894      0.00000
   1409       4.3062      0.00000
   1410       4.3112      0.00000
   1411       4.3424      0.00000
   1412       4.3657      0.00000
   1413       4.3764      0.00000
   1414       4.3929      0.00000
   1415       4.4048      0.00000
   1416       4.4245      0.00000
   1417       4.4306      0.00000
   1418       4.4576      0.00000
   1419       4.4686      0.00000
   1420       4.4726      0.00000
   1421       4.4767      0.00000
   1422       4.5009      0.00000
   1423       4.5020      0.00000
   1424       4.5271      0.00000
   1425       4.5516      0.00000
   1426       4.5720      0.00000
   1427       4.5806      0.00000
   1428       4.5920      0.00000
   1429       4.6078      0.00000
   1430       4.6250      0.00000
   1431       4.6400      0.00000
   1432       4.6824      0.00000
   1433       4.6911      0.00000
   1434       4.7105      0.00000
   1435       4.7428      0.00000
   1436       4.7778      0.00000
   1437       4.7921      0.00000
   1438       4.8179      0.00000
   1439       4.8336      0.00000
   1440       4.8490      0.00000
   1441       4.8635      0.00000
   1442       4.8710      0.00000
   1443       4.8991      0.00000
   1444       4.9101      0.00000
   1445       4.9314      0.00000
   1446       4.9514      0.00000
   1447       4.9659      0.00000
   1448       4.9775      0.00000
   1449       4.9827      0.00000
   1450       5.0064      0.00000
   1451       5.0139      0.00000
   1452       5.0217      0.00000
   1453       5.0496      0.00000
   1454       5.0617      0.00000
   1455       5.0843      0.00000
   1456       5.0900      0.00000
   1457       5.1169      0.00000
   1458       5.1278      0.00000
   1459       5.1447      0.00000
   1460       5.1607      0.00000
   1461       5.1679      0.00000
   1462       5.1985      0.00000
   1463       5.2173      0.00000
   1464       5.2326      0.00000
   1465       5.2428      0.00000
   1466       5.2734      0.00000
   1467       5.2853      0.00000
   1468       5.2975      0.00000
   1469       5.3120      0.00000
   1470       5.3224      0.00000
   1471       5.3365      0.00000
   1472       5.3416      0.00000
   1473       5.3519      0.00000
   1474       5.3706      0.00000
   1475       5.3794      0.00000
   1476       5.4022      0.00000
   1477       5.4085      0.00000
   1478       5.4106      0.00000
   1479       5.4322      0.00000
   1480       5.4484      0.00000
   1481       5.4602      0.00000
   1482       5.4719      0.00000
   1483       5.4738      0.00000
   1484       5.4838      0.00000
   1485       5.4957      0.00000
   1486       5.5012      0.00000
   1487       5.5108      0.00000
   1488       5.5175      0.00000
   1489       5.5217      0.00000
   1490       5.5338      0.00000
   1491       5.5429      0.00000
   1492       5.5521      0.00000
   1493       5.5631      0.00000
   1494       5.5739      0.00000
   1495       5.5753      0.00000
   1496       5.5884      0.00000
   1497       5.5922      0.00000
   1498       5.6113      0.00000
   1499       5.6181      0.00000
   1500       5.6307      0.00000
   1501       5.6450      0.00000
   1502       5.6507      0.00000
   1503       5.6602      0.00000
   1504       5.6762      0.00000
   1505       5.6817      0.00000
   1506       5.6923      0.00000
   1507       5.7023      0.00000
   1508       5.7089      0.00000
   1509       5.7189      0.00000
   1510       5.7232      0.00000
   1511       5.7318      0.00000
   1512       5.7422      0.00000
   1513       5.7524      0.00000
   1514       5.7566      0.00000
   1515       5.7646      0.00000
   1516       5.7726      0.00000
   1517       5.7837      0.00000
   1518       5.7925      0.00000
   1519       5.7972      0.00000
   1520       5.8152      0.00000
   1521       5.8201      0.00000
   1522       5.8302      0.00000
   1523       5.8394      0.00000
   1524       5.8457      0.00000
   1525       5.8548      0.00000
   1526       5.8626      0.00000
   1527       5.8671      0.00000
   1528       5.8751      0.00000
   1529       5.8864      0.00000
   1530       5.8982      0.00000
   1531       5.9023      0.00000
   1532       5.9097      0.00000
   1533       5.9208      0.00000
   1534       5.9265      0.00000
   1535       5.9360      0.00000
   1536       5.9380      0.00000
   1537       5.9539      0.00000
   1538       5.9581      0.00000
   1539       5.9724      0.00000
   1540       5.9785      0.00000
   1541       5.9885      0.00000
   1542       5.9971      0.00000
   1543       6.0158      0.00000
   1544       6.0212      0.00000
   1545       6.0305      0.00000
   1546       6.0385      0.00000
   1547       6.0501      0.00000
   1548       6.0573      0.00000
   1549       6.0629      0.00000
   1550       6.0671      0.00000
   1551       6.0757      0.00000
   1552       6.0788      0.00000
   1553       6.1004      0.00000
   1554       6.1050      0.00000
   1555       6.1122      0.00000
   1556       6.1187      0.00000
   1557       6.1248      0.00000
   1558       6.1350      0.00000
   1559       6.1415      0.00000
   1560       6.1483      0.00000
   1561       6.1560      0.00000
   1562       6.1604      0.00000
   1563       6.1811      0.00000
   1564       6.1856      0.00000
   1565       6.1937      0.00000
   1566       6.1943      0.00000
   1567       6.2021      0.00000
   1568       6.2153      0.00000
   1569       6.2240      0.00000
   1570       6.2351      0.00000
   1571       6.2577      0.00000
   1572       6.2586      0.00000
   1573       6.2656      0.00000
   1574       6.2765      0.00000
   1575       6.2794      0.00000
   1576       6.3108      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.087  13.411  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.411  17.830  -0.001   0.001  -0.000   0.003  -0.005   0.001
 -0.001  -0.001  -4.233   0.002   0.000   8.281  -0.004  -0.000
  0.001   0.001   0.002  -4.233   0.001  -0.004   8.280  -0.001
 -0.000  -0.000   0.000   0.001  -4.226  -0.000  -0.001   8.272
  0.002   0.003   8.281  -0.004  -0.000 -18.327   0.006   0.000
 -0.004  -0.005  -0.004   8.280  -0.001   0.006 -18.323   0.001
  0.000   0.001  -0.000  -0.001   8.272   0.000   0.001 -18.318
 total augmentation occupancy for first ion, spin component:           1
  8.361  -3.753   0.161   0.108  -0.062   0.020   0.021  -0.010
 -3.753   1.758  -0.083  -0.077   0.038  -0.008  -0.013   0.006
  0.161  -0.083   1.777  -0.062  -0.028   0.168  -0.011  -0.005
  0.108  -0.077  -0.062   1.885  -0.067  -0.010   0.176  -0.009
 -0.062   0.038  -0.028  -0.067   1.211  -0.005  -0.009   0.079
  0.020  -0.008   0.168  -0.010  -0.005   0.017  -0.001  -0.001
  0.021  -0.013  -0.011   0.176  -0.009  -0.001   0.018  -0.001
 -0.010   0.006  -0.005  -0.009   0.079  -0.001  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -54870.49921109128.65441 34047.54774-12790.75942  6523.41570 25286.48081
  Hartree   368.13305136143.95206 72329.76822-13118.82725  4504.04593 19808.52287
  E(xc)  -10736.07955-10594.15307-10636.28942     2.43726     7.96542    30.26400
  Local   21120.14381************************ 25899.27520-11062.89131-44552.18131
  n-local -5850.49987 -5969.78937 -6028.41237     6.02878    15.12285   -56.05643
  augment  1490.62454  1537.15696  1488.30492     4.22427    13.35558    -0.95592
  Kinetic 45552.23546 43217.40747 43740.73225   -29.83642   -72.44654  -542.38402
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -18.0830595   -430.2854347   -110.4785847    -27.4575781    -71.4323713    -26.3099911
  in kB       -3.0154949    -71.7535404    -18.4231883     -4.5787709    -11.9119197     -4.3874016
  external PRESSURE =     -31.0640745 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.283E+03 -.120E+03 0.248E+03   0.284E+03 0.121E+03 -.250E+03   -.244E+00 -.430E+00 0.141E+01   -.651E-03 -.552E-03 -.103E-02
   -.240E+03 -.143E+03 0.507E+02   0.240E+03 0.144E+03 -.505E+02   -.264E-01 -.123E+01 -.386E+00   -.816E-03 -.480E-03 -.625E-03
   -.203E+03 -.131E+03 0.309E+01   0.202E+03 0.132E+03 -.167E+01   0.482E+00 -.156E+01 -.180E+01   -.938E-03 -.389E-03 -.481E-03
   -.254E+03 -.107E+03 0.351E+03   0.254E+03 0.107E+03 -.354E+03   0.909E-01 -.110E+00 0.244E+01   -.604E-03 -.106E-02 -.623E-03
   -.211E+03 -.156E+03 0.314E+03   0.210E+03 0.157E+03 -.315E+03   0.154E+00 -.805E+00 0.108E+01   -.520E-03 -.607E-03 -.469E-03
   -.185E+03 -.119E+03 0.175E+03   0.185E+03 0.119E+03 -.176E+03   0.126E+00 0.792E-02 0.227E+00   -.631E-03 -.495E-03 -.370E-03
   -.294E+03 -.142E+03 0.186E+03   0.294E+03 0.147E+03 -.187E+03   0.382E+00 -.445E+01 0.950E+00   0.248E-03 -.184E-02 -.256E-02
   -.220E+03 -.118E+03 0.263E+02   0.220E+03 0.122E+03 -.294E+02   -.441E+00 -.403E+01 0.206E+01   -.664E-03 -.718E-03 -.718E-03
   -.135E+03 0.577E+01 0.206E+03   0.135E+03 -.598E+01 -.206E+03   -.679E-01 0.369E-01 0.262E+00   -.249E-03 0.497E-04 -.508E-04
   -.111E+03 0.891E+02 0.669E+02   0.111E+03 -.904E+02 -.659E+02   0.475E+00 0.180E+01 -.118E+01   -.366E-03 0.583E-03 0.945E-04
   -.120E+03 0.120E+03 0.138E+03   0.120E+03 -.121E+03 -.138E+03   0.484E+00 0.110E+01 0.698E-01   0.860E-04 0.107E-02 0.289E-03
   -.136E+03 0.854E+01 0.341E+03   0.136E+03 -.913E+01 -.343E+03   -.857E-01 0.318E+00 0.128E+01   0.396E-03 0.337E-03 -.417E-04
   -.137E+03 -.297E+02 0.376E+03   0.137E+03 0.307E+02 -.378E+03   0.194E+00 -.863E+00 0.249E+01   0.977E-03 0.151E-02 0.136E-06
   -.150E+03 0.424E+02 0.313E+03   0.151E+03 -.427E+02 -.314E+03   -.421E+00 0.156E+00 0.164E+01   0.688E-03 0.118E-02 -.197E-03
   -.149E+03 0.123E+03 0.292E+03   0.148E+03 -.126E+03 -.295E+03   0.765E+00 0.405E+01 0.247E+01   0.132E-02 0.243E-02 -.507E-04
   -.118E+03 0.133E+03 0.110E+03   0.117E+03 -.135E+03 -.113E+03   0.582E+00 0.286E+01 0.351E+01   0.266E-03 0.197E-02 0.161E-02
   -.120E+03 0.126E+03 0.587E+02   0.121E+03 -.120E+03 -.544E+02   -.556E+00 -.450E+01 -.400E+01   0.291E-03 0.201E-03 0.393E-04
   -.463E+02 0.214E+03 -.153E+03   0.455E+02 -.216E+03 0.155E+03   0.743E+00 0.111E+01 -.195E+01   -.971E-04 0.352E-03 0.351E-03
   -.190E+02 0.158E+03 -.209E+03   0.185E+02 -.158E+03 0.212E+03   0.288E+00 0.233E+00 -.198E+01   -.850E-04 -.130E-03 0.102E-02
   -.109E+03 0.128E+03 0.195E+03   0.110E+03 -.127E+03 -.198E+03   -.987E+00 -.718E+00 0.323E+01   0.461E-03 -.768E-04 -.461E-03
   -.432E+02 0.914E+02 -.558E+01   0.419E+02 -.932E+02 0.695E+01   0.133E+01 0.201E+01 -.130E+01   0.678E-03 -.244E-03 0.125E-03
   -.473E+02 0.208E+02 -.151E+03   0.475E+02 -.208E+02 0.152E+03   -.236E-01 0.397E+00 -.124E+01   0.313E-03 -.392E-03 0.442E-03
   -.747E+02 -.286E+02 -.196E+03   0.752E+02 0.289E+02 0.195E+03   -.359E+00 -.308E+00 0.829E+00   0.165E-03 -.817E-03 0.559E-03
   -.569E+02 -.781E+02 -.260E+03   0.578E+02 0.799E+02 0.259E+03   -.989E+00 -.224E+01 0.144E+01   0.360E-03 -.101E-02 0.904E-03
   -.359E+02 -.155E+03 -.369E+03   0.355E+02 0.155E+03 0.371E+03   0.463E+00 -.664E+00 -.190E+01   0.451E-03 -.125E-02 0.343E-03
   -.134E+03 -.171E+03 -.178E+03   0.135E+03 0.171E+03 0.176E+03   -.750E+00 -.354E+00 0.212E+01   0.822E-04 -.396E-03 -.426E-04
   -.108E+03 -.295E+03 -.216E+03   0.108E+03 0.296E+03 0.216E+03   -.155E-01 -.677E+00 0.290E+00   -.122E-03 -.328E-03 0.474E-04
   -.635E+02 -.265E+03 -.323E+03   0.636E+02 0.266E+03 0.324E+03   -.253E+00 -.125E+01 -.623E+00   0.592E-05 -.975E-03 0.740E-04
   -.581E+02 -.292E+02 -.247E+03   0.635E+02 0.376E+02 0.242E+03   -.551E+01 -.857E+01 0.504E+01   0.123E-02 -.922E-03 0.166E-02
   -.492E+02 0.649E+02 0.312E+02   0.449E+02 -.744E+02 -.260E+02   0.460E+01 0.939E+01 -.460E+01   0.314E-02 -.197E-02 -.240E-03
   -.214E+03 -.324E+02 -.483E+02   0.215E+03 0.328E+02 0.501E+02   0.447E-01 -.313E+00 -.173E+01   -.596E-03 -.485E-03 0.345E-03
   -.147E+03 -.156E+03 0.124E+03   0.147E+03 0.158E+03 -.124E+03   0.279E+00 -.148E+01 -.328E+00   -.207E-03 -.139E-03 -.245E-03
   -.170E+03 -.154E+03 0.162E+03   0.170E+03 0.156E+03 -.163E+03   -.847E-01 -.201E+01 0.942E+00   -.244E-03 -.374E-03 -.841E-04
   -.326E+03 0.840E+01 -.166E+03   0.326E+03 -.104E+02 0.169E+03   0.509E+00 0.190E+01 -.316E+01   -.114E-02 -.930E-03 0.440E-04
   -.312E+03 -.733E+02 -.196E+03   0.312E+03 0.736E+02 0.197E+03   0.363E+00 -.193E-01 -.147E+01   -.837E-03 -.427E-03 -.299E-03
   -.238E+03 -.666E+02 -.245E+02   0.238E+03 0.665E+02 0.247E+02   0.375E+00 0.266E+00 -.304E+00   -.369E-03 -.303E-03 -.269E-03
   -.112E+03 -.572E+02 -.174E+02   0.112E+03 0.605E+02 0.205E+02   -.303E+00 -.416E+01 -.304E+01   -.285E-03 -.155E-02 0.507E-03
   -.668E+02 -.149E+03 0.110E+03   0.668E+02 0.151E+03 -.106E+03   -.167E+00 -.309E+01 -.387E+01   0.144E-03 -.130E-03 -.116E-02
   -.207E+03 0.471E+02 -.343E+02   0.207E+03 -.473E+02 0.343E+02   0.161E+00 0.281E+00 -.192E+00   0.247E-04 0.168E-03 -.409E-04
   -.117E+03 0.660E+02 0.173E+03   0.117E+03 -.671E+02 -.174E+03   -.120E+00 0.135E+01 0.195E+01   0.605E-03 -.195E-03 0.819E-03
   -.679E+02 0.859E+02 0.960E+02   0.677E+02 -.871E+02 -.963E+02   0.393E+00 0.137E+01 0.274E+00   0.101E-02 0.423E-03 0.885E-03
   -.232E+03 0.845E+02 -.241E+03   0.232E+03 -.854E+02 0.242E+03   0.213E+00 0.104E+01 -.979E+00   -.148E-03 0.587E-03 0.102E-03
   -.190E+03 0.420E+02 -.312E+03   0.190E+03 -.421E+02 0.315E+03   -.197E-01 0.264E+00 -.227E+01   0.455E-03 0.109E-02 0.813E-03
   -.108E+03 0.658E+02 -.167E+03   0.108E+03 -.667E+02 0.168E+03   0.615E-01 0.823E+00 -.137E+01   0.101E-02 0.357E-03 0.104E-02
   -.479E+02 0.117E+03 -.114E+03   0.474E+02 -.121E+03 0.115E+03   0.472E+00 0.475E+01 -.822E+00   0.137E-02 0.266E-03 0.180E-02
   -.762E+01 0.885E+02 0.116E+03   0.676E+01 -.927E+02 -.112E+03   0.347E+00 0.421E+01 -.214E+01   0.173E-02 0.584E-03 0.113E-02
   0.467E+02 0.638E+02 0.990E+02   -.453E+02 -.583E+02 -.101E+03   -.140E+01 -.549E+01 0.179E+01   0.196E-02 -.370E-03 0.605E-03
   0.157E+02 0.145E+03 0.281E+03   -.148E+02 -.146E+03 -.283E+03   -.778E+00 0.880E+00 0.257E+01   0.208E-02 -.459E-03 0.138E-03
   -.250E+02 0.137E+03 0.244E+03   0.262E+02 -.137E+03 -.246E+03   -.106E+01 -.463E+00 0.157E+01   0.169E-02 -.463E-03 -.250E-03
   0.535E+02 0.846E+02 -.672E+02   -.542E+02 -.850E+02 0.706E+02   0.688E+00 0.392E+00 -.348E+01   0.175E-02 -.455E-03 0.881E-03
   0.139E+02 0.401E+02 0.113E+02   -.131E+02 -.412E+02 -.132E+02   -.950E+00 0.148E+01 0.194E+01   0.123E-02 -.126E-03 0.565E-03
   0.330E+01 0.235E+02 0.884E+02   -.298E+01 -.229E+02 -.891E+02   -.354E+00 -.524E+00 0.918E+00   0.107E-02 0.119E-04 0.205E-03
   -.102E+03 -.110E+02 0.444E+02   0.101E+03 0.111E+02 -.440E+02   0.143E+00 -.213E-02 -.554E+00   0.719E-03 0.886E-04 -.455E-03
   -.223E+03 -.276E+02 0.120E+03   0.223E+03 0.285E+02 -.119E+03   0.363E+00 -.953E+00 -.175E+01   0.922E-03 0.119E-03 -.536E-03
   -.292E+03 -.807E+02 0.186E+03   0.293E+03 0.808E+02 -.189E+03   -.857E+00 -.256E+00 0.325E+01   0.391E-03 -.245E-03 -.829E-03
   -.106E+03 -.134E+03 -.126E+03   0.106E+03 0.133E+03 0.128E+03   0.487E+00 0.513E+00 -.165E+01   -.600E-04 0.353E-03 0.453E-03
   -.148E+03 -.145E+03 -.168E+03   0.147E+03 0.146E+03 0.171E+03   0.473E+00 -.819E+00 -.269E+01   -.433E-03 0.385E-03 0.237E-03
   -.231E+03 -.652E+02 0.377E+02   0.230E+03 0.591E+02 -.357E+02   0.686E+00 0.607E+01 -.185E+01   -.813E-04 -.336E-03 -.300E-03
   -.236E+03 0.332E+01 0.159E+03   0.233E+03 0.374E+01 -.150E+03   0.229E+01 -.633E+01 -.847E+01   0.239E-02 0.188E-02 -.646E-03
   -.508E+02 0.943E+01 -.649E+02   0.537E+02 -.160E+02 0.562E+02   -.270E+01 0.695E+01 0.854E+01   -.720E-04 -.409E-03 0.673E-03
   -.412E+03 -.732E+02 0.791E+02   0.412E+03 0.736E+02 -.804E+02   -.164E+00 -.911E-01 0.119E+01   -.191E-02 -.739E-04 0.799E-03
   -.414E+03 -.102E+03 -.854E+02   0.414E+03 0.104E+03 0.856E+02   -.239E+00 -.131E+01 -.334E+00   -.145E-02 0.376E-03 0.924E-03
   -.366E+03 -.899E+02 -.126E+03   0.366E+03 0.906E+02 0.128E+03   0.124E+00 -.161E+01 -.196E+01   -.146E-02 0.308E-04 0.531E-03
   -.338E+03 -.659E+02 0.167E+03   0.338E+03 0.658E+02 -.169E+03   0.247E+00 -.233E+00 0.216E+01   -.145E-02 0.110E-02 0.116E-03
   -.287E+03 -.118E+03 0.130E+03   0.287E+03 0.119E+03 -.131E+03   0.323E-01 -.875E+00 0.112E+01   -.757E-03 0.111E-02 -.469E-03
   -.305E+03 -.822E+02 0.136E+02   0.305E+03 0.822E+02 -.140E+02   0.118E+00 0.366E-01 0.710E-02   -.967E-03 0.394E-03 0.243E-04
   -.426E+03 -.120E+03 -.825E+01   0.425E+03 0.127E+03 0.117E+02   0.127E+00 -.405E+01 0.598E+00   -.276E-02 0.100E-02 0.145E-02
   -.421E+03 -.855E+02 -.485E+02   0.422E+03 0.889E+02 0.453E+02   -.107E+01 -.409E+01 0.224E+01   -.122E-02 0.489E-03 0.846E-03
   -.251E+03 0.384E+02 0.384E+02   0.251E+03 -.386E+02 -.386E+02   -.874E-01 0.806E-01 0.245E+00   -.422E-03 0.479E-03 -.228E-03
   -.277E+03 0.116E+03 -.613E+02   0.277E+03 -.118E+03 0.624E+02   0.317E+00 0.208E+01 -.117E+01   -.673E-03 0.315E-03 0.423E-04
   -.284E+03 0.138E+03 0.643E+01   0.284E+03 -.140E+03 -.669E+01   0.267E+00 0.152E+01 0.301E+00   -.322E-03 0.312E-03 -.947E-04
   -.198E+03 0.429E+02 0.135E+03   0.199E+03 -.434E+02 -.137E+03   -.162E+00 0.275E+00 0.133E+01   0.395E-03 0.587E-03 -.101E-02
   -.198E+03 -.126E+02 0.148E+03   0.198E+03 0.138E+02 -.151E+03   0.434E-01 -.102E+01 0.265E+01   0.832E-03 0.940E-03 -.106E-02
   -.269E+03 0.447E+02 0.129E+03   0.269E+03 -.450E+02 -.130E+03   -.354E+00 0.203E+00 0.164E+01   0.309E-03 0.597E-03 -.727E-03
   -.294E+03 0.104E+03 0.132E+03   0.294E+03 -.107E+03 -.135E+03   0.350E+00 0.409E+01 0.250E+01   0.641E-03 0.159E-02 -.593E-03
   -.312E+03 0.151E+03 0.739E+02   0.312E+03 -.154E+03 -.777E+02   0.168E+00 0.324E+01 0.367E+01   -.245E-03 0.902E-03 0.102E-02
   -.311E+03 0.110E+03 0.101E+03   0.310E+03 -.106E+03 -.970E+02   0.164E+00 -.483E+01 -.380E+01   0.836E-04 0.710E-04 -.759E-04
   -.189E+03 0.214E+03 0.379E+02   0.188E+03 -.216E+03 -.361E+02   0.519E+00 0.126E+01 -.210E+01   0.247E-03 -.237E-03 -.118E-04
   -.935E+02 0.124E+03 0.619E+02   0.925E+02 -.125E+03 -.597E+02   0.780E+00 0.213E+00 -.195E+01   0.301E-03 0.209E-04 0.405E-03
   -.353E+03 0.857E+02 0.201E+03   0.354E+03 -.848E+02 -.204E+03   -.876E+00 -.863E+00 0.330E+01   0.168E-03 0.566E-03 -.257E-03
   -.298E+03 0.758E+02 0.113E+03   0.297E+03 -.774E+02 -.112E+03   0.538E+00 0.209E+01 -.133E+01   0.102E-02 0.334E-03 -.207E-03
   -.178E+03 0.899E+01 0.877E+02   0.178E+03 -.881E+01 -.872E+02   0.434E+00 0.217E+00 -.769E+00   0.933E-03 0.222E-03 -.101E-03
   -.144E+03 -.125E+01 0.121E+03   0.144E+03 0.126E+01 -.122E+03   -.194E+00 -.494E+00 0.112E+01   0.105E-02 -.275E-03 0.126E-03
   -.555E+02 -.440E+02 0.840E+02   0.565E+02 0.462E+02 -.854E+02   -.122E+01 -.213E+01 0.176E+01   0.707E-03 -.657E-04 0.718E-03
   -.321E+01 -.610E+02 -.236E+02   0.224E+01 0.599E+02 0.274E+02   0.940E+00 0.110E+01 -.385E+01   0.917E-03 0.151E-03 0.979E-03
   -.223E+03 -.135E+03 0.159E+03   0.224E+03 0.135E+03 -.161E+03   -.103E+01 -.172E+00 0.219E+01   0.158E-02 0.616E-03 -.202E-03
   -.127E+03 -.220E+03 0.193E+03   0.128E+03 0.222E+03 -.195E+03   -.614E+00 -.140E+01 0.167E+01   0.105E-02 0.732E-03 -.125E-03
   -.222E+02 -.952E+02 0.103E+03   0.223E+02 0.902E+02 -.107E+03   -.175E+00 0.429E+01 0.406E+01   0.669E-03 0.277E-03 0.748E-03
   -.116E+02 -.462E+02 0.807E+02   0.148E+02 0.556E+02 -.866E+02   -.394E+01 -.929E+01 0.587E+01   -.199E-02 0.848E-03 0.595E-03
   -.354E+03 0.617E+02 0.941E+02   0.351E+03 -.720E+02 -.892E+02   0.267E+01 0.986E+01 -.455E+01   0.515E-02 -.885E-03 0.556E-03
   -.241E+03 -.272E+02 -.115E+03   0.241E+03 0.276E+02 0.117E+03   0.658E-02 -.250E+00 -.163E+01   -.150E-03 0.227E-03 0.805E-03
   -.189E+03 -.166E+03 0.493E+02   0.189E+03 0.167E+03 -.490E+02   0.797E+00 -.152E+01 -.183E+00   -.788E-04 0.151E-04 0.232E-03
   -.199E+03 -.178E+03 0.954E+02   0.199E+03 0.180E+03 -.962E+02   -.245E+00 -.183E+01 0.103E+01   0.792E-04 -.426E-03 0.419E-03
   -.308E+03 0.353E+02 -.205E+03   0.308E+03 -.370E+02 0.207E+03   0.117E+00 0.135E+01 -.273E+01   -.466E-03 -.816E-03 0.722E-03
   -.284E+03 -.593E+02 -.177E+03   0.284E+03 0.597E+02 0.179E+03   0.556E+00 -.280E-01 -.136E+01   -.660E-03 -.348E-03 0.390E-03
   -.227E+03 -.874E+02 -.267E+02   0.227E+03 0.872E+02 0.268E+02   0.156E+00 0.321E+00 -.189E+00   -.287E-03 -.502E-03 0.251E-04
   -.162E+03 -.566E+02 -.106E+03   0.162E+03 0.604E+02 0.108E+03   -.463E+00 -.406E+01 -.280E+01   0.245E-03 -.838E-03 0.923E-03
   -.148E+03 -.154E+03 0.929E+01   0.148E+03 0.156E+03 -.457E+01   -.327E+00 -.298E+01 -.376E+01   -.240E-04 0.197E-03 0.855E-05
   -.171E+03 0.308E+02 0.311E+02   0.171E+03 -.311E+02 -.310E+02   -.357E-01 0.282E+00 -.161E+00   -.440E-03 -.112E-03 0.311E-04
   -.934E+02 0.393E+02 0.171E+03   0.935E+02 -.402E+02 -.172E+03   -.373E+00 0.131E+01 0.196E+01   -.123E-03 -.190E-03 0.512E-03
   -.214E+02 0.649E+02 0.139E+03   0.212E+02 -.663E+02 -.139E+03   0.297E+00 0.142E+01 0.320E+00   -.140E-03 0.731E-04 0.383E-03
   -.195E+03 0.954E+02 -.756E+02   0.195E+03 -.969E+02 0.768E+02   0.268E+00 0.148E+01 -.140E+01   -.118E-02 -.138E-03 0.161E-03
   -.154E+03 0.478E+02 -.995E+02   0.154E+03 -.480E+02 0.102E+03   -.275E-01 0.298E+00 -.267E+01   -.116E-02 0.338E-03 0.299E-03
   -.406E+02 0.497E+02 -.787E+01   0.405E+02 -.506E+02 0.896E+01   0.142E+00 0.833E+00 -.121E+01   -.414E-03 -.198E-03 0.345E-03
   0.222E+02 0.964E+02 0.592E+02   -.223E+02 -.101E+03 -.591E+02   0.109E+00 0.474E+01 -.500E+00   -.116E-03 -.269E-03 0.476E-03
   0.315E+02 0.804E+02 0.912E+02   -.326E+02 -.848E+02 -.876E+02   0.500E+00 0.446E+01 -.188E+01   0.291E-03 -.545E-04 0.684E-03
   0.785E+02 0.597E+02 0.107E+03   -.776E+02 -.540E+02 -.108E+03   -.923E+00 -.580E+01 0.117E+01   0.750E-03 -.616E-03 0.558E-03
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 -----------------------------------------------------------------------------------------------
   -.120E+02 -.156E+02 0.227E+01   -.139E-10 0.853E-12 0.239E-11   0.120E+02 0.156E+02 -.226E+01   0.390E-02 -.346E-02 -.306E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.90412      3.15916      1.41319        -0.089143      0.259096      0.152485
     12.71475      3.59473      2.73301         0.008686      0.022026     -0.250744
     12.66029      4.97815      3.04836         0.205153     -0.497217     -0.378701
     12.93050      4.08009      0.36883         0.166940     -0.281598      0.145574
     12.90734      5.43887      0.67171         0.001344      0.081775      0.099807
     12.81246      5.93941      1.99896         0.070412      0.147138      0.053313
     12.97985      1.67459      1.36096         0.233408     -0.313387      0.054871
     12.51908      2.35334      3.58114         0.234505     -0.244999     -0.972845
     12.91277      7.43987      2.23103        -0.015892     -0.173797      0.052522
     12.85059      8.03178      3.52515         0.236804      0.493696     -0.136724
     13.15475      9.40524      3.66470         0.163965      0.049903     -0.083442
     13.14828      8.32313      1.13549         0.073239     -0.274820      0.210060
     13.34890      9.69235      1.27500         0.260350      0.214101      0.254981
     13.40298     10.22574      2.55836        -0.209959     -0.152873      0.312594
     13.62394     11.62799      3.01023         0.333974      1.240192     -0.451032
     13.30634     10.25473      4.89909         0.207219      0.304630     -0.238760
     13.69934     12.75426      5.29379        -0.011458      0.627425      0.281606
     13.35957     12.69691      6.65256        -0.034512     -0.955541     -0.248011
     13.40009     13.79219      7.48891        -0.222389     -0.007546      0.347030
     13.99402     14.05526      4.83909         0.025302      0.041392     -0.122492
     14.00224     15.15823      5.71904         0.011350      0.259068      0.069678
     13.73696     15.09640      7.14167         0.210840      0.397801     -0.706568
     13.76819     16.23801      8.16782         0.063236     -0.042658      0.176297
     13.23191     16.20376      9.50570        -0.027174     -0.483521      0.392800
     13.35422     17.28156     10.40750         0.080148     -0.097701     -0.073067
     14.32717     17.50508      7.87923         0.151157     -0.043876      0.039513
     14.36946     18.59681      8.73841         0.154737      0.268907     -0.019539
     13.92823     18.49780     10.04839        -0.141079     -0.099755      0.024961
     12.50472     15.02668     10.14361        -0.089512     -0.192354     -0.157898
     14.48577     16.41508      5.05571         0.295911     -0.148672      0.547298
      9.66290      3.86021      4.80584         0.086307      0.077344      0.078729
      9.79495      4.80306      3.79319         0.098124     -0.061122     -0.015158
      9.96589      6.16336      4.10811        -0.200403     -0.413925      0.109051
      9.64502      4.22749      6.14308         0.146838     -0.140228     -0.401222
      9.72326      5.56974      6.46662         0.135784      0.264899     -0.168484
      9.91200      6.56923      5.47286         0.037220      0.129019     -0.121229
      9.50963      2.50536      4.24976        -0.135289     -0.858818      0.107588
      9.78054      4.05843      2.48457        -0.190520     -0.277666      0.155501
     10.02934      8.01158      5.85963        -0.003846      0.014734     -0.157540
     10.25485      9.00624      4.86707        -0.204351      0.221042      0.287414
     10.29199     10.34642      5.24908         0.214404      0.151492      0.059381
      9.89471      8.44053      7.20751         0.136928      0.076808     -0.152840
      9.99926      9.78525      7.58381        -0.024321      0.141798     -0.125288
     10.18599     10.73904      6.58909         0.062487     -0.058624     -0.252112
     10.31992     12.21547      6.68503        -0.015479      0.489713      0.242563
     10.51891     11.57245      4.40862        -0.510493      0.064352      2.249094
     10.84081     14.06406      4.99370        -0.014363      0.043419      0.116706
     11.32850     14.42055      3.72995         0.098433     -0.564067      0.095527
     11.71792     15.71934      3.44909         0.130487      0.013412     -0.235390
     10.81172     15.12162      5.92286        -0.035176      0.012559     -0.026699
     11.10449     16.46162      5.57958        -0.116462      0.326872      0.034220
     11.58005     16.84901      4.26402        -0.033209      0.135766      0.231188
     12.02641     18.23838      3.75741         0.092146      0.036294     -0.157073
     12.52001     18.62566      2.44722         0.016084     -0.057298     -0.215567
     12.69658     19.99365      2.11419         0.281253     -0.141331     -0.140544
     11.93335     19.34900      4.61625        -0.253897     -0.217989      0.351296
     12.14475     20.67880      4.31436         0.002279      0.649602     -0.125670
     12.53802     21.05957      3.02699        -0.168598     -0.009505      0.130897
     12.84817     17.68199      1.23666         0.084225      0.735496      0.444948
     10.83022     17.41895      6.74008         0.189063      0.327917     -0.165108
     10.22466      7.13828     14.60666        -0.000895      0.234038     -0.068289
     10.11783      7.58118     15.93247        -0.053318      0.149271     -0.196836
     10.10091      8.97373     16.25541         0.047693     -0.918691     -0.425692
     10.23309      8.08865     13.56881         0.185103     -0.315482      0.418377
     10.25258      9.45600     13.87422        -0.064253     -0.064106      0.404894
     10.21856      9.94764     15.22385         0.116510      0.130728     -0.376213
     10.19809      5.61263     14.53914        -0.816846      2.900539      4.061045
      9.86249      6.36409     16.80028         0.080917     -0.675439     -0.909370
     10.29151     11.45082     15.49858         0.068786     -0.100837      0.034959
     10.21902     11.99967     16.81339         0.306519      0.616583     -0.049246
     10.42479     13.39180     17.00193         0.174114      0.185714      0.043685
     10.48012     12.38324     14.42977         0.047451     -0.270079      0.225018
     10.63045     13.75643     14.61806         0.172455      0.120104      0.313754
     10.63894     14.25368     15.91942        -0.123330     -0.106527      0.257667
     10.75888     15.66712     16.39913         0.204808      0.576917     -0.521947
     10.43122     14.25952     18.25691         0.185532      0.087284     -0.089370
     10.59872     16.84537     18.64327         0.077083      0.024720      0.118481
     10.18718     16.79854     19.98154         0.035143     -0.798727     -0.336798
     10.00368     17.93775     20.74565        -0.197436      0.040317      0.223475
     10.86189     18.15715     18.17325         0.138697      0.019221      0.125048
     10.81499     19.28203     19.03657         0.032204      0.537500     -0.343164
     10.33334     19.25306     20.40209         0.276291      0.396589     -0.227491
     10.15936     20.43220      0.14598         0.089529     -0.486603      0.280215
      9.67909     20.33743      1.51168        -0.163690      0.090390      0.353317
      9.56945      0.20270      2.36817        -0.031088      0.044694     -0.063740
     10.51698      0.50909     21.12502         0.204326      0.073718      0.142383
     10.22851      1.64411      0.62771         0.094456      0.281820     -0.299437
      9.75390      1.53800      1.93047        -0.087596     -0.679814      0.094373
      9.21545     19.08427      2.24876        -0.805210      0.105482     -0.059796
     11.23431     20.59523     18.37848         0.175921     -0.419393      0.360664
      7.02185      7.64548     17.52961         0.232217      0.113436     -0.116220
      7.10410      8.60734     16.51416         0.508498     -0.414945      0.107909
      7.31665      9.95987     16.82602        -0.213584     -0.324761      0.160473
      7.09332      8.01371     18.87503         0.114797     -0.273917     -0.508974
      7.13237      9.36668     19.18362         0.223371      0.356291     -0.097323
      7.25947     10.38046     18.18510        -0.037702      0.193080     -0.087588
      6.82767      6.29132     16.93968        -0.102217     -0.266055     -0.056637
      7.09655      7.87406     15.18699        -0.346342     -0.409620      0.954862
      7.29501     11.84589     18.56692        -0.046969     -0.053300     -0.075138
      7.48770     12.90894     17.62917        -0.234337      0.330907      0.292574
      7.41373     14.24620     18.07227         0.055230     -0.009244      0.060238
      7.09581     12.21430     19.92095         0.150237      0.019640     -0.202047
      7.09339     13.54043     20.35972         0.069947      0.170745     -0.256778
      7.22052     14.56368     19.42402         0.022395     -0.102857     -0.113021
      7.23820     16.04318     19.62044         0.022970      0.177709     -0.366673
      7.61289     15.54103     17.32245        -0.586933      0.072164      1.716348
      7.66458     18.02398     18.07002        -0.068263     -0.136057     -0.189832
      8.30880     18.45012     16.90338         0.177069     -0.566635      0.002368
      8.63762     19.77686     16.71116         0.192505      0.167466     -0.291532
      7.37273     19.05498     18.98398        -0.082788      0.011107      0.057876
      7.52914     20.41905     18.64530        -0.261059      0.483536      0.139767
      8.18627     20.87970     17.44974         0.028382     -0.032016      0.006279
      8.60227      1.03113     16.99391         0.140893      0.133156     -0.270998
      9.08907      1.35565     15.67316         0.035592     -0.464319     -0.096929
      9.45559      2.69634     15.33326         0.191565      0.080785      0.213998
      8.63235      2.16245     17.85962        -0.056399     -0.318576      0.246518
      9.01666      3.46023     17.53451         0.191726      0.346630      0.389855
      9.47419      3.78591     16.24623        -0.064485      0.265587      0.217235
      9.40111      0.32158     14.48791        -0.242238      0.675645     -0.330556
      7.01095      0.11775     19.70040         0.234399      0.247428     -0.145386
      6.98906     10.85624      6.11261        -0.014763      0.313564      0.145288
      6.81351     11.33193      7.41975         0.031663     -0.029010     -0.228888
      6.93848     12.69400      7.73826        -0.022269     -0.123335     -0.269041
      7.33532     11.73225      5.08950        -0.161104     -0.084362      0.135782
      7.46563     13.08979      5.39511        -0.145947      0.146399      0.168101
      7.25382     13.62556      6.70250        -0.121730      0.005958     -0.064235
      6.89970      9.37943      6.09366         0.077233     -0.626194      0.008099
      6.60814     10.14002      8.30020         0.126208     -0.544769      0.042885
      7.35517     15.11827      6.93310        -0.116658      0.000340     -0.046006
      7.11060     15.74386      8.18884        -0.037005      0.271254     -0.122356
      7.22694     17.14751      8.30162         0.053954      0.218874     -0.191363
      7.70238     15.97620      5.84480        -0.179963     -0.254702      0.210526
      7.73370     17.36014      5.94700        -0.161288      0.305675      0.325980
      7.50464     17.95740      7.19565        -0.079857     -0.194142      0.117459
      7.71346     19.38036      7.64021        -0.007926      0.435622      0.033059
      7.21819     18.03399      9.51143         0.062073      0.337273      0.851039
      7.56799     20.58728      9.89067        -0.012057      0.020189      0.453438
      7.10198     20.56048     11.21910         0.072022     -0.627413     -0.361722
      6.93103      0.44398     11.98228         0.061827      0.353767      0.374380
      7.95658      0.61422      9.46474        -0.064861     -0.060503      0.133670
      7.98314      1.70725     10.38041         0.221000      0.661305      0.065803
      7.45995      1.72932     11.72750         0.029501      0.190355     -0.414662
      7.39351      2.94376     12.77085         0.075274     -0.452009     -0.274824
      6.88987      2.89695     14.11358         0.164367      0.842805      0.047447
      6.74538      4.02557     14.97616         0.255502      0.036904      0.027654
      7.82410      4.26276     12.52186         0.472530      0.237464     -0.198219
      7.64515      5.40900     13.32034        -0.216944     -0.058735     -0.146694
      7.06449      5.35460     14.59381         0.115769     -0.689995     -0.020027
      6.23903      1.73226     14.70957        -0.977266     -1.434851      1.410771
      8.62224      2.93055      9.79018         0.059381      0.102663      0.571412
      4.03590     11.49944     10.76949         0.090531      0.242342     -0.144635
      3.76036     12.38706      9.71723         0.205546     -0.272321      0.203246
      3.82192     13.77211      9.89415         0.108105     -0.263878      0.066030
      4.37744     11.97826     12.03255         0.033481     -0.030758     -0.352260
      4.43481     13.36285     12.21951         0.016187      0.196129     -0.187435
      4.17006     14.29664     11.16935         0.068268     -0.162475     -0.069136
      3.85746     10.10033     10.31198        -0.102566     -0.165964     -0.167257
      3.39441     11.57572      8.51651        -0.049352     -0.138300     -0.322157
      4.27072     15.77821     11.38393         0.062919      0.021671      0.085488
      4.08489     16.71468     10.32412         0.040899      0.275891      0.108704
      4.14497     18.09620     10.60205         0.013715     -0.157386     -0.121335
      4.61464     16.28477     12.66755         0.024623      0.154764     -0.206486
      4.76096     17.65120     12.89779         0.047134      0.096314      0.274314
      4.42679     18.54338     11.88917         0.028772      0.103265     -0.348437
      4.37829     20.01103     11.90126         0.087361      2.120646      1.999635
      4.17359     19.31456      9.71179        -0.133004      0.310775      0.264609
      4.47135      0.62848     10.16207         0.137425      0.302705     -0.132131
      4.83162      0.95977      8.84863        -0.094927     -0.581980     -0.275706
      5.20343      2.25028      8.48314         0.027227      0.296479     -0.171599
      4.44787      1.75699     11.01795        -0.102270     -0.023086     -0.181793
      4.75801      3.09689     10.61268        -0.104442      0.095058      0.298236
      5.29035      3.40964      9.28574         0.052965      0.050757      0.541071
      5.88033      4.79292      8.72039         0.277285      0.204154     -0.090227
      6.38921      5.12544      7.39636         0.063637     -0.613993     -0.005801
      6.64242      6.46080      6.97928         0.166507      0.070427      0.305531
      5.85097      5.96758      9.50148        -0.258144     -1.067218      0.844148
      6.15121      7.25190      9.14235         0.075737      1.175354      0.159977
      6.51114      7.57937      7.84175        -0.007919     -0.222900     -0.355905
      6.49844      4.05712      6.28378         0.012976     -0.102653      0.442987
      4.53412      4.06539     11.80797        -0.107039      0.619891     -0.523007
      1.13748     14.33588      0.77359         0.213654      0.167660      0.217437
      1.73790     14.76732      1.97222        -0.361746     -0.244843     -0.216487
      1.69955     16.14482      2.32060        -0.199910     -0.421668     -0.311248
      0.70713     15.23811     21.06177        -0.225283     -0.605858     -0.027269
      0.75560     16.58133      0.10820        -0.133761      0.386319      0.121532
      1.14668     17.08187      1.38535         0.019805      0.081805     -0.296501
      1.15127     12.86042      0.67483         0.334999      0.475072      0.702801
      2.35766     13.50864      2.59288         0.546895     -0.726541      1.085930
      1.01300     18.57908      1.58136        -0.072926      0.091500     -0.033379
      1.37978     19.25772      2.77576        -0.271564      0.391077     -0.248561
      1.19821     20.65411      2.84349        -0.000471     -0.013796     -0.112408
      0.52190     19.39330      0.50001        -0.038214     -0.182202      0.073858
      0.35283     20.77225      0.57451         0.102760      0.187214      0.626251
      0.67563      0.13696      1.78144        -0.078722     -0.261450     -0.372776
      0.68425      1.58762      2.08618        -0.176248      0.387988     -0.029742
      1.61045      0.36385      3.89797         0.240829      0.414326      0.425491
      1.44467      2.94315      4.04163         0.183408      0.178154      0.446474
      2.00890      2.95257      5.30698        -0.014011     -0.445792      0.197236
      2.14922      4.10821      6.04087         0.104962     -0.140804      0.299406
      1.05402      4.21185      3.58134        -0.161893      0.293827     -0.013790
      1.24508      5.37899      4.36203        -0.349275      0.496609     -0.307136
      1.85852      5.43355      5.66360        -0.290630      0.349940     -0.660570
      2.18826      6.70007      6.49273         0.096528      0.102973      0.216310
      2.69791      6.65493      7.81491         0.208637     -0.003313      0.354147
      3.19804      7.74108      8.57637        -0.182822      0.382531     -0.166909
      2.14312      8.07050      6.09952        -0.501841     -0.421021     -0.635524
      2.57837      9.17237      6.81755         0.166779      0.443285      0.115358
      3.11920      9.07489      8.10738         0.032506     -1.028545      0.136323
      2.93727      5.35759      8.47973        -0.129838     -0.386329      1.007315
      0.63515      6.61351      3.72327        -0.302811     -0.324607      0.638896
      4.68950     14.08569      0.69320        -0.073904      0.127766      0.036255
      4.02246     15.00829     -0.12863        -0.009823     -0.302410      0.265870
      3.99376     16.38889      0.23761         0.204710     -0.496027     -0.126146
      5.39589     14.52714      1.81879        -0.054079     -0.144435     -0.270819
      5.41956     15.88554      2.13391        -0.053536      0.128716     -0.128504
      4.70166     16.86993      1.38646         0.152271      0.313676      0.146779
      4.53997     12.68337      0.17668        -0.165513      0.184403     -0.141280
      3.39714     14.17594     19.99063         0.168079     -0.118996     -0.159484
      4.76160     18.35648      1.84884         0.114386     -0.141003      0.111516
      4.08761     19.44708      1.21681         0.152218      0.530779      0.191022
      4.23874     20.78237      1.70194         0.184892      0.056195      0.062348
      5.56586     18.71324      2.98450        -0.146633      0.033499     -0.124253
      5.72025     20.02283      3.46110        -0.097131      0.260799     -0.113179
      5.04704     21.06265      2.81398        -0.099492     -0.242633     -0.273005
      5.07853      1.27559      3.09229         0.367383      0.200334      0.345993
      3.70270      0.86835      1.21398         0.080136      0.136586     -0.076021
      3.93251      3.31443      2.12270        -0.341061      0.407110     -0.765322
      3.06556      3.90475      1.18227        -0.132772     -0.034501      0.077492
      2.75192      5.27393      1.17373         0.018168     -0.192134     -0.064233
      4.39119      4.25621      3.05287         0.039746      0.357047      0.023267
      4.13654      5.65532      2.91668         0.221758      0.290947      0.156657
      3.35368      6.33353      1.92238         0.693808     -0.032997      0.924649
      3.14503      7.99679      1.88241         0.208569      0.101550     -0.354697
      2.20055      8.61128      1.01362         0.074726     -0.432907     -0.751662
      1.92286      9.99006      0.85434         0.118029     -0.174375      0.271102
      3.71835      9.05157      2.68926         0.382786     -0.975362      0.296993
      3.35732     10.40315      2.68315        -0.543511      0.390713      0.091088
      2.45621     10.95986      1.74352        -0.448197     -0.109499      0.314198
      1.54993      7.66786      0.03897        -0.712850      0.498218      0.622783
      4.81143      6.44824      3.98579        -0.241909      0.242570     -0.506983
     18.22716     17.31416     13.44313         0.115883      0.235177      0.213488
     19.28146     17.81448     14.22006        -0.183287      0.012996     -0.003823
     19.53245     19.19544     14.33488        -0.402904     -0.310222      0.042583
     17.40703     18.19296     12.73374         0.118211     -0.149293      0.323445
     17.61082     19.56570     12.89181         0.242184      0.230357      0.148815
     18.65609     20.11822     13.69144         0.101665      0.131142      0.148890
     18.20282     15.82669     13.52807        -0.509430     -0.648191     -0.144889
     20.00951     16.64099     14.81745        -1.394788     -0.144244     -0.613005
     18.78842      0.36285     13.90159        -0.028761     -0.113659      0.069170
     19.82780      0.93869     14.69654        -0.228139      0.267173      0.168320
     19.78814      2.31133     15.02328        -0.390256     -0.000744      0.061174
     17.79421      1.25165     13.39816         0.251459     -0.198126      0.319199
     17.79181      2.62252     13.67501         0.099372      0.149798      0.288927
     18.78495      3.14926     14.51149         0.225345     -0.185174      0.074117
     18.98663      4.54012     15.03177        -0.049588      0.611933      0.178557
     20.60185      3.11586     16.01629        -0.807484      0.665683     -0.353956
     20.66909      5.63226     16.64827        -0.348661     -0.001442     -0.304273
      0.71318      5.60137     17.13780         0.359569     -0.172245      0.004251
      1.37838      6.78051     17.46824         0.062111     -0.101986      0.205528
     20.09482      6.91312     16.65953         0.038711      0.435282     -0.064313
     20.73447      8.03945     17.27965        -0.964670     -0.004445     -0.110908
      0.82927      8.04317     17.74423        -0.006901      0.294873     -0.237022
      1.69619      9.20948     18.35869         0.720356     -0.516376      0.399312
      3.03862      9.11487     18.96491        -0.667086     -0.079009     -0.147418
      3.67470     10.22311     19.63265        -0.342092     -0.233568     -0.502539
      1.18616     10.48624     18.57909        -1.130270      0.498179     -0.132677
      1.84829     11.61972     19.05379         0.852211     -0.236135      0.476629
      3.12824     11.53568     19.62851        -0.499740      0.588061     -0.248588
      3.93578      7.86528     18.87289         1.024156      1.939665      0.361709
     19.77254      9.19863     17.42877        -0.259692      0.419121      0.388353
      2.05309     18.17037     14.10707        -0.424385      0.008930      0.031073
      1.27593     19.13181     13.45988         0.129732     -0.212082     -0.269973
      1.38973     20.49378     13.76885        -0.131179     -0.591120     -0.099685
      3.01039     18.54048     15.04742        -0.245206      0.176679     -0.288803
      3.21836     19.89800     15.26127        -0.329570      0.526474     -0.072991
      2.36621     20.91050     14.71132        -0.357498     -0.086530     -0.207077
      1.70979     16.83562     13.58221         0.213330     -1.055127      0.262263
      0.43420     18.41177     12.43147         0.019762      0.129357     -0.066844
      2.51709      1.10577     15.00983        -0.178844      0.095518     -0.013731
      1.77601      2.09268     14.29650         0.210331      0.674849     -0.013372
      2.09039      3.45458     14.48471        -0.251563     -0.086474      0.149370
      3.46451      1.54994     15.95621        -0.459940      0.186080     -0.025237
      3.75127      2.90705     16.14665        -0.126308      0.348122      0.072425
      3.09640      3.85074     15.37089        -0.480857      0.050643     -0.068557
      3.20016      5.33497     15.37188         0.515734      1.206337      0.704817
      1.39116      4.70125     13.99769         2.795395     -0.250213      1.955395
      1.62264      7.23228     14.57582         0.131773      0.065599      0.176967
      0.33928      7.54886     14.08842         0.293988     -0.348032      0.182646
     21.06783      8.83166     14.15811        -0.063329     -0.012198     -0.058778
      2.27393      8.34428     15.18338         0.040642      0.108218     -0.172343
      1.74523      9.66536     15.16695         0.116979      0.084718      0.094180
      0.42424      9.99200     14.65092         0.262464      0.176585      0.103552
     20.92137     11.34442     14.65250        -0.109702     -0.079100     -0.235959
     19.58188     11.63792     14.15080        -0.392218     -0.100919     -0.238168
     19.10043     12.96292     14.03673        -0.176246     -0.176895      0.060140
      0.30919     12.53562     15.02997        -0.029903     -0.028570     -0.173142
     -0.20322     13.81990     15.05118        -0.257648      0.529152     -0.126021
     19.79092     14.09459     14.52745        -0.247960     -0.111485     -0.047315
     18.54026     10.63188     13.55629         0.489724      0.508872      0.220723
      2.69176     10.69439     15.77702        -0.065900      0.387214     -0.385663
     16.10345      0.41593      5.18551         0.034048      0.233514      0.034394
     16.92636      0.89341      6.21540        -0.130051     -0.090561     -0.082339
     17.01843      2.26841      6.49967        -0.204004     -0.255044     -0.098524
     15.28163      1.29550      4.49037         0.242933     -0.165762      0.224432
     15.33751      2.65760      4.79781         0.150990      0.069731      0.177374
     16.22556      3.19905      5.76368        -0.054317      0.119952      0.092361
     16.35060     20.22703      4.94117         0.207728     -0.221361      0.128366
     17.63709     20.96193      6.80103        -0.275298     -0.387176     -0.339712
     16.28024      4.70113      5.99211        -0.082332      0.018249      0.071192
     17.15415      5.30971      6.93890        -0.241620      0.167150      0.040292
     17.10283      6.69951      7.15392        -0.287820      0.174364     -0.025381
     15.40011      5.58181      5.28958         0.171077     -0.268722      0.105886
     15.38027      6.96339      5.48387         0.271248      0.136600      0.236304
     16.25435      7.53167      6.41102         0.007955     -0.281337      0.120569
     16.41441      8.94972      6.84633        -0.024371      0.502214      0.068815
     17.73846      7.54805      8.21464         0.087416      0.331626      0.651859
     17.80135     10.11118      8.61024         0.357094      0.160206      0.524738
     18.83678     10.01200      9.54531        -0.193143     -0.639641     -0.147562
     19.41354     11.12046     10.13110         0.306457      0.318663      0.139353
     17.37025     11.43686      8.38183         0.007373     -0.072200     -0.012862
     17.88675     12.53328      9.11227        -0.243266      0.612099      0.008419
     18.97715     12.45857     10.06373        -0.091684      0.121363     -0.238693
     19.72188     13.60484     10.81973         0.568235     -0.677883      0.193445
     20.97404     13.48188     11.56210         0.260789      0.416889      0.155973
      0.39025     14.60012     12.13109        -0.184586     -0.211444     -0.399274
     19.28966     14.94025     10.84552         0.060136     -0.001596      0.246349
     19.98724     16.06346     11.32077        -0.154615     -0.162093      0.104926
     21.21471     15.93402     11.96955         0.260853     -0.629510      0.243566
      0.56688     12.23741     11.75952         0.415158      0.424931      0.061441
     17.16825     13.83193      8.76897         0.068087     -0.092285      0.237164
     20.35602      1.28501      6.12963         0.042599      0.342626      0.060754
     19.80724      2.35355      5.38849         0.030589     -0.137149      0.276751
     19.84374      3.65795      5.84347         0.092116     -0.056787      0.236819
     20.88012      1.51421      7.40034        -0.039356      0.183586     -0.175149
     20.92891      2.83692      7.86294        -0.080836      0.268912      0.059334
     20.44713      3.94765      7.09699        -0.088979     -0.406648     -0.024749
     20.15239      0.02819      5.35990         0.390681     -0.221235      0.199575
     19.07883      1.79220      4.21025        -0.230196      0.455555     -0.186332
     20.56528      5.36432      7.53480        -0.132200      0.100888      0.251045
     20.16701      6.41056      6.67273        -0.053110     -0.078429      0.142488
     20.44495      7.73300      7.01437        -0.214120      0.073129      0.114457
     -0.15126      5.72767      8.78741        -0.186041      0.222593      0.214176
      0.17873      7.05002      9.09662        -0.045410      0.167814      0.373897
     21.12934      8.04519      8.17946        -0.272843     -0.090137      0.105184
      0.07362      9.49704      8.23725         0.879793      1.599395      1.175284
     20.07959      9.00884      6.34748        -0.140985      0.541451     -0.183182
     20.40494     11.49155      6.92761         0.021743      0.242126     -0.088235
     19.54407     11.90273      5.90205         0.044943     -0.475318      0.013895
     19.21778     13.22927      5.69263        -0.187341      0.316676     -0.232675
     20.93288     12.55544      7.69917         0.037642     -0.061628     -0.136637
     20.65357     13.90589      7.39133         0.248787      0.540138      0.014602
     19.71272     14.35730      6.37092         0.415345      0.148737      0.394988
     19.19187     15.80714      6.09578         0.025974     -0.082733     -0.139374
     18.31249     16.24098      5.03776         0.080468     -0.212027     -0.240358
     17.79208     17.54988      4.93096         0.166330      0.122342     -0.080092
     19.46757     16.91178      6.94211         0.317392     -0.265322      0.196991
     18.90964     18.17693      6.90096        -0.122256      0.519112      0.193144
     17.99008     18.54404      5.91327         0.233079     -0.218144     -0.080145
     17.76067     15.31284      3.97087         0.287665     -0.309775     -0.084717
      0.21991     14.88611      8.20662        -0.156370      0.229060     -0.300194
     12.47167      5.27172      4.08386         0.156702      0.038496     -0.107331
     12.94564      3.73096     20.59564         0.171118      0.044269     -0.074571
     12.96936      6.12024     21.07925        -0.077566      0.000995      0.169469
     12.55290      7.46806      4.41666         0.240058     -0.030433     -0.171323
     13.23253      7.93921      0.12482        -0.113214     -0.164562     -0.107881
     13.53828     10.33037      0.41540        -0.044037      0.024314     -0.168147
     13.08243     13.56093      8.47881         0.067129     -0.113644      0.363089
     12.98909     11.76910      7.09169         0.334463      0.040708     -0.082965
     14.14966     14.24087      3.76266         0.149658     -0.182087      0.675631
     12.97013     17.14222     11.41827         0.003485      0.090493     -0.091410
     14.67628     17.76503      6.90099         0.262173     -0.279100      0.165298
     14.71487     19.54823      8.30894         0.101411     -0.171709      0.276405
     10.16501      6.86963      3.30068        -0.227593      0.007409      0.049174
      9.47311      3.46455      6.88098         0.258761      0.028326      0.076053
      9.58796      5.83587      7.51532         0.194240      0.096523     -0.046726
     10.42260      8.74008      3.82087        -0.262836      0.109333      0.134981
      9.68611      7.72976      8.00722         0.084290     -0.110544     -0.108453
      9.91261     10.09316      8.62767        -0.008196     -0.071228      0.011671
     12.28223     15.77338      2.54035        -0.039668      0.185363     -0.270038
     11.61535     13.66473      2.99972        -0.343781      0.036987     -0.017602
     10.63789     14.88224      6.97023        -0.304711      0.102667     -0.193342
     12.89190     20.22486      1.06782         0.304011     -0.009749      0.274139
     11.65849     19.23491      5.65172        -0.054014     -0.174064     -0.230922
     11.88871      0.16265      5.07712         0.309869     -0.161247     -0.143406
      9.88742      9.25775     17.28483         0.305419      0.031853      0.090811
     10.16910      7.76200     12.53174         0.170863      0.004052     -0.089452
     10.24118     10.13846     13.01399         0.034132     -0.042485      0.343375
      9.96145     11.38936     17.68209         0.257635     -0.050011     -0.055669
     10.54111     12.04358     13.40035        -0.040570     -0.204123     -0.087589
     10.78138     14.43686     13.78325        -0.025428     -0.017285     -0.193919
      9.60471     17.69059      0.44610        -0.190460      0.146473      0.072536
      9.97695     15.84498     20.47893         0.033796      0.180802     -0.281853
     11.00549     18.31635     17.09609         0.436552     -0.031907      0.546176
      9.43673      0.05009      3.44475        -0.393157     -0.012946     -0.526077
     11.12150      0.77251     20.28137        -0.017352     -0.178864     -0.185753
     10.45768      2.61651      0.17729        -0.042512     -0.199466      0.210683
      7.60405     10.64730     16.03285        -0.413294      0.154894     -0.096609
      6.98124      7.25600     19.65026         0.271845      0.057268     -0.028623
      7.02949      9.61835     20.24398         0.207902      0.114103     -0.193736
      7.73771     12.71604     16.58329        -0.303628     -0.004563      0.057841
      6.87491     11.46103     20.67830         0.233885      0.011705     -0.146963
      6.92318     13.76954      0.14991         0.327122     -0.025548     -0.092694
      9.43826     19.89048     16.00450        -0.144809      0.205739     -0.284505
      8.76363     17.72903     16.21987        -0.280669      0.119493      0.058286
      7.12917     18.79374     20.01461        -0.449854      0.092855     -0.256263
      9.62473      2.94891     14.29688         0.468124     -0.278612     -0.164886
      8.45565      2.04042     18.92823        -0.297339     -0.099133     -0.350976
      8.93582      4.21720     18.33399         0.206007     -0.322648     -0.444886
      6.80768     13.01612      8.77470         0.025225     -0.020661     -0.087146
      7.53885     11.35092      4.08615        -0.081333      0.082618     -0.014615
      7.77598     13.73779      4.56976        -0.142753      0.002578      0.195977
      6.82764     15.16866      9.07450         0.144251     -0.009650     -0.050156
      8.03269     15.55848      4.89000        -0.215545     -0.024443      0.120068
      8.09314     17.95659      5.11021        -0.279839      0.002007     -0.032631
      6.24086      0.26610     12.78271         0.297310      0.088803      0.462835
      6.77286     19.60214     11.64118         0.067012      0.334573     -0.096832
      8.16931      0.79868      8.40311         0.229454     -0.135665      0.511090
      6.49120      3.84912     16.03294        -0.118514      0.154146     -0.774592
      8.29338      4.52705     11.59159         0.103707     -0.136414      0.067554
      7.89476      6.34426     12.82841         0.146048      0.198639      0.223050
      3.57334     14.42999      9.05908         0.054271     -0.111600      0.048147
      4.57163     11.28385     12.85101         0.021560      0.082571     -0.037233
      4.67788     13.70533     13.22980        -0.003517      0.085886     -0.201261
      3.92602     16.36056      9.30140        -0.061603      0.179002      0.092746
      4.70465     15.63496     13.54275         0.241546     -0.055518     -0.340961
      5.10941     18.02644     13.86500        -0.056689     -0.123021     -0.198832
      5.42441      2.30020      7.43610         0.186434      0.088906     -0.110430
      4.90476      0.19747      8.06128        -0.202682      0.169088      0.283391
      4.30755      1.57134     12.08012        -0.428702      0.115872     -0.239561
      6.87499      6.65415      5.93562         0.249384     -0.184159      0.235740
      5.46911      5.94673     10.51053         0.178262     -0.180327     -0.334090
      5.96942      8.02851      9.89590         0.239240     -0.195508     -0.240493
      2.11341     16.47099      3.27401        -0.019135      0.042605      0.065210
      0.40279     14.89439     20.06077        -0.042083      0.087401      0.404995
      0.48074     17.26387     20.55494        -0.008635     -0.157324      0.328767
      1.83520     18.74484      3.62209        -0.083719     -0.080507      0.058879
      0.26777     18.96952     20.78506         0.037900     -0.137519      0.237129
      0.02389      0.12327     20.99107        -0.056894     -0.164686     -0.079745
      2.48938      3.80913      6.99852         0.059112      0.204210     -0.014755
      2.31355      2.02632      5.80263        -0.100858      0.192840     -0.236851
      0.61034      4.31545      2.58961        -0.055616     -0.050583      0.378536
      3.66255      7.55825      9.55020        -0.513996      0.049870     -0.363820
      1.74064      8.36639      5.14396         0.028389     -0.156625     -0.004279
      2.48781     10.14587      6.34652        -0.073188      0.091256     -0.033187
      3.36898     17.06329     20.91950         0.134156      0.172057     -0.246518
      5.96988     13.80866      2.41283        -0.157223      0.070726      0.053547
      6.05096     16.15371      2.98792        -0.274758      0.145631     -0.137553
      3.42086     19.28452      0.37048         0.124971     -0.024058     -0.133410
      6.15806     17.97000      3.52213        -0.231317     -0.090338     -0.158229
      6.39455     20.26118      4.29501        -0.165557     -0.204799     -0.084047
      1.89481      5.39489      0.55833        -0.218597      0.252781     -0.389162
      2.46327      3.29778      0.50278         0.270946      0.021007      0.059239
      4.89508      3.91586      3.95150         0.149672      0.095421     -0.352067
      1.33631     10.28681     21.24042        -0.191741     -0.153796      0.519362
      4.40261      8.84118      3.51458        -0.049471      0.115719     -0.737816
      3.72457     10.98618      3.53198         0.170882      0.200186     -0.355218
     20.40988     19.52664     14.89926        -0.317943     -0.019557      0.090587
     16.61909     17.81513     12.08512        -0.140314     -0.011296     -0.021623
     16.91190     20.22065     12.36985         0.120909      0.065161     -0.023935
     20.65028      0.32823     15.08316        -0.238991      0.051720      0.115700
     16.95317      0.84863     12.83340         0.064820      0.049154     -0.066315
     16.97507      3.25017     13.31434         0.079624      0.063161     -0.071659
      2.43110      6.69390     17.34775         0.492233     -0.127425      0.525728
      1.30045      4.68118     17.12305        -0.098625      0.096336     -0.049728
     19.19807      7.08917     16.05107         0.029252     -0.077877      0.685648
      4.58522     10.03556     20.19431         0.031920     -0.029919     -0.221449
      0.15515     10.74148     18.33948         0.315933     -0.318281     -0.125107
      1.32461     12.55999     18.94958        -0.015093      0.167395      0.151392
      0.71653     21.18405     13.24955         0.258796     -0.009312      0.092502
      3.65058     17.80160     15.51320         0.078583     -0.177704      0.163324
      4.13994     20.17359     15.76847        -0.166568      0.180376      0.414793
      0.95945      1.82556     13.61270         0.330881      0.104574      0.079799
      4.13866      0.83049     16.41804        -0.422980     -0.012841      0.328324
      4.57934      3.22566     16.77420        -0.321682     -0.010141      0.343236
     20.05681      8.86177     13.80947        -0.258364      0.096732     -0.026484
     20.90851      6.77185     13.78323         0.114007     -0.129786     -0.360975
      3.15121      8.17938     15.81941         0.059047      0.054209     -0.690512
     18.19059     13.11466     13.44892         0.106074      0.020215      0.509960
      1.35746     12.57575     15.21673         0.201908     -0.277941      0.024208
      0.48564     14.61757     15.31750        -0.143545     -0.005062      0.156331
     17.75139      2.60636      7.23001        -0.150559     -0.006855      0.212619
     14.60484      0.89900      3.73841         0.185994      0.104191     -0.045256
     14.64875      3.31245      4.26277         0.314375      0.015957      0.057244
     17.88081      4.72245      7.50248        -0.202599     -0.022804      0.107455
     14.68720      5.18899      4.56162         0.153973     -0.071545      0.095439
     14.66850      7.59355      4.95656         0.096516     -0.039810     -0.099570
     20.33733     10.84327     10.59176        -0.033197      0.210058      0.334177
     19.27449      9.03317      9.78569        -0.224476      0.354535     -0.093510
     16.66022     11.63836      7.57890        -0.024963     -0.066303      0.340407
      1.28223     14.43968     12.74959        -0.394905     -0.030986     -0.548576
     18.34437     15.19369     10.42747        -0.555280      0.062565     -0.192026
     19.52071     17.01930     11.13128         0.068132      0.295626      0.039607
     19.35459      4.42782      5.24792         0.090248     -0.027892     -0.054997
     21.21031      0.68065      8.02701         0.081355      0.120960     -0.082546
      0.12962      2.99662      8.84760        -0.270230      0.055848     -0.247802
     19.70957      6.17481      5.71466        -0.112925      0.183716      0.276980
      0.11964      4.97606      9.52603        -0.413755      0.053609     -0.019430
      0.67331      7.30533     10.04137        -0.149152     -0.098292     -0.104127
     18.48391     13.31773      4.92415        -0.211830      0.200035     -0.185238
     19.04916     11.17012      5.26754         0.134817      0.041739      0.047007
      0.27533     12.33411      8.58650         0.071499      0.094339     -0.527254
     17.11088     17.73775      4.10408         0.270499      0.108297      0.087108
     20.13600     16.83625      7.77654         0.075301     -0.170702     -0.199097
     19.22443     18.89394      7.66577        -0.142901     -0.193899     -0.157296
     13.97749     19.33405     10.75669        -0.038730     -0.156879     -0.130536
     18.83639     21.01194      3.71724         0.343384      0.073785     -0.150210
     12.67829      1.20004      2.67805        -0.053349      0.274039      0.031507
     13.62136     11.62258      4.43549        -0.450058     -1.123423      0.119009
      9.64082      2.63767      2.82489         0.005024      0.466963      0.032278
     10.54851     12.69835      5.35378         0.208744     -0.085556     -0.460935
      9.82036      5.18162     15.89407         0.218440     -0.116872     -0.117513
     10.65311     15.65090     17.80891        -0.251594     -0.249493      0.495989
      6.92968      6.45843     15.50629         0.303184     -0.056094     -0.003969
      7.47476     16.61991     18.32588        -0.029933     -0.270169     -0.075386
      6.62106      8.95584      7.43014         0.187265      0.428738     -0.002064
      7.51628     19.40671      9.06688        -0.011518     -0.683442     -0.288918
      3.49539     10.17472      8.91013         0.070631      0.532600      0.084017
      4.25464     20.51270     10.58130        -0.065044     -0.751959     -0.110819
      2.06565     12.38444      1.66630        -0.030162     -0.467556      0.277399
      1.25977      1.71469      3.38470        -0.171241     -0.751088     -0.470295
      3.71463     12.75184     20.27019        -0.090408     -0.361435      0.140196
      4.18712      1.90187      2.16389         0.218445     -0.544637     -0.180190
     19.31313     15.43863     14.34040         0.415542      0.257759      0.363813
     20.06626      4.49296     15.98518         0.093814     -0.736789     -0.149936
      0.71982     17.00218     12.56612        -0.415443      0.313520      0.023700
      2.12312      5.85963     14.59241        -0.613719     -0.182477     -0.436999
     17.35293     19.83123      5.89789        -0.067031      0.140231     -0.046761
     17.36118      8.94760      7.91935        -0.345952     -0.706888     -0.198285
     19.36632      0.42894      4.27171        -0.524595     -0.610272     -0.802254
     20.65735     10.10306      7.14554        -0.335720     -0.866736     -0.432121
     12.29478      2.29359      4.77300        -0.017167      0.032510      0.289963
     13.28853      0.96888      0.40546         0.063304      0.520603      0.313201
     13.20447      9.90409      6.06025        -0.138227     -0.048324     -0.283283
     13.76058     12.64407      2.30657        -0.106899     -1.319606      0.585210
      9.85974      4.50324      1.35230        -0.118500     -0.043720      0.097670
      9.33305      1.44611      4.85634         0.140813      1.039431     -0.269179
     10.60082     11.63741      3.21313         0.090004      0.215221     -1.482918
     10.24127     12.92129      7.69331        -0.046154     -0.696936     -0.653770
      9.67442      6.33259     17.99996         0.200339     -0.021013      0.188877
     10.46580      4.91412     13.63902         1.055968     -2.275737     -3.035370
     10.28391     13.91325     19.41827         0.198186      0.041921     -0.429578
     10.89528     16.68960     15.71821        -0.005864     -0.902899      0.205578
      7.18413      8.33483     14.07074         0.000881      0.137745     -0.482569
      6.62585      5.22912     17.52809         0.171459      0.901493     -0.245264
      7.83449     15.70414     16.15052         0.019104      0.091054     -1.077387
      7.09727     16.68133     20.65914        -0.009812     -0.380249     -0.300579
      6.50826     10.12178      9.52092         0.197394      0.041649     -0.435669
      7.09341      8.61634      5.14608        -0.094178      0.776784      0.445240
      7.02502     17.70408     10.68425         0.420776      0.185304     -1.073071
      8.02623     20.35884      6.96358        -0.396926     -0.702451      0.262478
      3.07682     11.97732      7.40031         0.225411     -0.208143      0.580996
      3.97453      9.06968     10.96562        -0.081215      0.454462     -0.147171
      4.21440     19.34349      8.50180        -0.134980     -0.031630     -0.469160
      4.42281     20.74805     12.93021        -0.131282     -1.794667     -2.159616
      2.98954     13.36154      3.64815        -0.893649      0.414807     -1.484282
      0.46431     12.19604     21.18425        -0.426068     -0.231035     -0.236078
      2.16495      0.13070      4.96598        -0.294282      0.086896     -0.746504
      0.30080      2.52712      1.38594         0.081389     -0.819541      0.351363
      2.79305     14.56073     18.99861         0.333487     -0.185233      0.506705
      5.03105     11.65652      0.64559        -0.177453      0.491090     -0.124049
      3.01275      1.10662      0.23200         0.467710     -0.169405      0.450303
      5.76058      1.86268      3.93436        -0.484970     -0.613871     -0.692904
     -0.30237     16.66976     15.56685         0.585889     -0.058311      0.610963
     17.39467     15.05098     13.00879         0.404915      0.813699      0.527603
      0.23512      2.73066     16.73934         0.068918     -0.118510      0.359876
     18.37489      5.56079     14.71386         0.251492     -0.704756      0.116717
     20.92062     18.89097     11.61440         0.233320     -0.045189      0.031841
      2.17842     15.74626     13.93859        -0.199437      0.968462     -0.000123
      0.39638      4.74894     13.36022        -2.327793      0.349861     -1.814475
      4.00953      6.04544     16.00010        -0.892717     -1.092847     -0.998209
     18.28620     20.88994      7.83015        -0.082050      0.090972     -0.098562
     15.86386     19.49599      4.08117         0.163242      0.579472      0.353798
     18.35963      7.17705      9.20757        -0.621289      0.194924     -0.677357
     15.85984      9.96001      6.41381         0.505024     -0.748704      0.020640
     18.33514      2.34164      3.39263         0.660396     -0.381316      0.521389
     20.57828     20.14497      5.53894        -0.308974      0.701073     -0.013472
     19.38831      9.15334      5.35086         0.050297     -0.057508      0.195270
      0.71392     10.14188      9.09091        -0.910147     -1.202768     -1.128270
     13.80068     17.56579      5.28504        -0.009057      0.060628      0.249099
     15.73783     16.65358      5.57893        -0.131581     -0.161827     -0.050464
     14.59109     16.36406      3.72151         0.251184     -0.338543     -0.312878
     11.97830     15.29715     11.37044        -0.032609      0.257197      0.358595
     11.43736     14.57958      9.41617        -0.044392      0.140433     -0.140412
     13.31602     13.93498     10.35462         0.199069     -0.009171      0.249059
     11.88743     18.12796      7.24358         0.273639     -0.104640     -0.115326
      9.94135     18.40217      6.38420         0.204195      0.057218     -0.094071
     10.31700     16.80404      7.82849        -0.373476     -0.317117      0.251183
     13.08086     18.36968      0.08788        -0.136791      0.525828     -0.313482
     13.96286     16.93776      1.38501         0.735612     -0.304759      0.562917
     11.87428     16.79223      0.94068        -0.490837     -0.302523     -0.221442
     10.33069      0.32044     18.60333         0.141746      0.236869     -0.011578
     12.42672     -0.19205     18.85864         0.349544     -0.158950      0.159937
     11.37013     20.56542     17.03502         0.423164     -0.498051     -0.323126
      9.01743     19.29877      3.58812        -0.331096      0.143042     -0.061218
      7.99993     18.63324      1.74550         0.136379      0.342911     -0.040173
      9.99205     17.98269      2.23279         0.131324     -0.335785     -0.103732
      8.01648      0.75312     20.39163        -0.147870      0.116350     -0.074775
      6.22910      1.11266     19.18042        -0.168721     -0.099097     -0.157655
      6.28839     20.78035     20.67211        -0.540716     -0.410921      0.203237
      9.35717      1.00815     13.29708         0.634420     -0.180126      0.416867
     10.67612     21.12913     14.63837         0.268736      0.030670     -0.114490
      8.65854     20.43436     14.20220         0.426357      0.830517      0.355456
      7.85187      4.06847      9.84593         0.348463     -0.133626     -0.024799
      9.80190      3.26891     10.40428         0.231393     -0.126792      0.192273
      8.89677      2.79755      8.49176         0.544649     -0.401972     -0.628467
      6.04530      1.86759     16.08671         0.503666     -0.080581     -0.467320
      5.00268      1.58348     14.14283         0.618458     -0.300670      0.080666
      6.76378      0.46841     14.66489         0.188314      0.391778     -0.143400
      5.56286      4.94995     11.95757        -0.437243     -0.011113      0.162407
      3.40427      4.87450     11.87089        -0.145808     -0.376599     -0.435741
      4.43621      3.42685     12.96737         0.152593     -0.541752      0.479916
      7.09892      4.44284      5.13092        -0.065877      0.449453     -0.031539
      7.19591      2.93482      6.62801         0.048303     -0.057201      0.393898
      5.24629      3.60205      5.95078        -0.030116     -0.322430      0.067741
     -0.27383      7.26466      4.50746        -0.185484     -0.070445     -0.034322
      1.52807      7.58556      3.45603         0.182373      0.211739     -0.236987
     -0.02910      6.35273      2.60050        -0.687449     -0.552467     -0.030884
      3.37423      5.50278      9.75389        -0.278504      0.256600     -0.537381
      1.91305      4.42616      8.66446         0.235845      0.311337     -0.034358
      3.86111      4.68521      7.76804        -0.083250      0.104514     -0.163967
      5.91513      7.08381      3.46920         0.010702     -0.206287      0.130560
      4.04595      7.39226      4.60899        -0.116967      0.215565     -0.173860
      5.14806      5.69023      5.01726         0.287911     -0.157926      0.218300
      0.84896      8.22924     20.31354        -0.653561      0.780351     -0.210676
      2.52874      6.92465     -0.51811        -0.694801      0.111556     -0.278328
      0.59298      6.84223      0.57719         0.423579     -0.063113     -0.256941
     19.55385      9.46630     18.76122         0.083149     -0.003623      0.115582
     20.18938     10.39575     16.87223        -0.296336     -0.386392      0.289728
     18.54051      8.99373     16.89820        -0.001218     -0.255760      0.046275
      4.82332      7.88335     19.93442         0.050567      0.302260      0.042230
      3.54502      6.61816     18.86708        -0.394462     -1.522595     -0.590090
      4.64071      8.01671     17.68905        -0.337365      0.168619      0.201046
      3.28918     11.48833     14.81481         0.080938     -0.126826     -0.444529
      2.08035     11.59321     16.59318         0.316187     -0.033473      0.074185
      3.72422     10.20498     16.50021         0.208211     -0.382916     -0.269371
     17.43100     11.24424     13.06387        -0.136948      0.251114     -0.157805
     19.01390      9.86980     12.52646        -0.051409     -0.045054     -0.312571
     18.07896      9.75307     14.46721        -0.116538     -0.389461      0.714962
     16.43350     14.29243      9.83470        -0.142708     -0.082307      0.109575
     17.98723     14.86149      8.41302         0.193772      0.186600      0.104123
     16.31770     13.72110      7.72630        -0.340873     -0.219542     -0.216753
      1.56493     12.42452     12.68484         0.027953     -0.040583     -0.157364
     21.20324     11.10968     12.16698         0.174106     -0.236465     -0.153690
      1.21941     11.91153     10.61580        -0.016090      0.241892     -0.230350
      0.95503     15.73377      7.42086         0.265030     -0.095584     -0.386324
     20.72543     15.71197      8.99052         0.203193     -0.019339      0.031554
      1.08986     14.32931      9.08087         0.367862     -0.440451     -0.177600
     17.04477     15.91151      2.99930         0.072661      0.476115     -0.352458
     18.75059     14.62328      3.31489         0.255046      0.047704     -0.207172
     16.90428     14.35552      4.48113        -0.044914      0.080511      0.092006
 -----------------------------------------------------------------------------------
    total drift:                               -0.010579     -0.026910     -0.024100


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4551.3051587383 eV

  energy  without entropy=    -4551.4536032025  energy(sigma->0) =    -4551.35464023
 
 d Force = 0.2889508E-01[-0.263E-03, 0.581E-01]  d Energy = 0.2898943E-01-0.944E-04
 d Force =-0.2138885E+03[-0.214E+03,-0.214E+03]  d Ewald  =-0.2138885E+03-0.115E-04


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   30(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3176
 total energy-change (2. order) : 0.1321977E+01  (-0.1569692E+03)
 number of electron    2497.9999898 magnetization 
 augmentation part      162.6281278 magnetization 

  free energy =  -0.454998318582E+04  energy without entropy=  -0.455013372459E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   30(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) :-0.4023499E+01  (-0.4715470E+01)
 number of electron    2497.9999899 magnetization 
 augmentation part      162.7715943 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8022
  0.8022

  free energy =  -0.455400668513E+04  energy without entropy=  -0.455415819271E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   30(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3704
 total energy-change (2. order) : 0.1459602E+00  (-0.8748146E-01)
 number of electron    2497.9999899 magnetization 
 augmentation part      162.6874482 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3311
  1.2051  1.4571

  free energy =  -0.455386072491E+04  energy without entropy=  -0.455401130092E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   30(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3616
 total energy-change (2. order) : 0.1023580E-01  (-0.7850366E-01)
 number of electron    2497.9999899 magnetization 
 augmentation part      162.5174853 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2449
  2.0778  0.8903  0.7665

  free energy =  -0.455385048911E+04  energy without entropy=  -0.455400091635E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   30(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) :-0.8790573E-02  (-0.1607232E-01)
 number of electron    2497.9999899 magnetization 
 augmentation part      162.5449109 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3037
  2.3261  0.9847  0.9847  0.9195

  free energy =  -0.455385927968E+04  energy without entropy=  -0.455400959707E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   30(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3656
 total energy-change (2. order) : 0.8207947E-02  (-0.9123129E-02)
 number of electron    2497.9999899 magnetization 
 augmentation part      162.5708941 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2835
  2.3791  1.0535  1.0535  0.9656  0.9656

  free energy =  -0.455385107174E+04  energy without entropy=  -0.455400146236E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   30(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3632
 total energy-change (2. order) :-0.6406921E-03  (-0.1645577E-02)
 number of electron    2497.9999899 magnetization 
 augmentation part      162.5856421 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2696
  2.4405  0.9938  0.9938  1.1980  1.1980  0.7932

  free energy =  -0.455385171243E+04  energy without entropy=  -0.455400215282E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   30(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) : 0.1032032E-03  (-0.2335799E-03)
 number of electron    2497.9999899 magnetization 
 augmentation part      162.5902512 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2302
  2.4435  1.0744  1.0744  1.2033  1.2033  0.8062  0.8062

  free energy =  -0.455385160923E+04  energy without entropy=  -0.455400199779E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   30(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) :-0.1553409E-03  (-0.1393612E-03)
 number of electron    2497.9999899 magnetization 
 augmentation part      162.5859350 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2337
  2.5002  1.5704  1.0362  1.0362  1.1275  0.9603  0.9603  0.6783

  free energy =  -0.455385176457E+04  energy without entropy=  -0.455400219158E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   30(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) :-0.1507952E-03  (-0.1761613E-04)
 number of electron    2497.9999899 magnetization 
 augmentation part      162.5851318 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2568
  2.6288  1.9363  1.0732  1.0732  1.1616  0.9239  0.9239  0.9545  0.6359

  free energy =  -0.455385191536E+04  energy without entropy=  -0.455400231650E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   30(  11)  ---------------------------------------



 eigenvalue-minimisations  :  3376
 total energy-change (2. order) :-0.1608529E-03  (-0.1002196E-04)
 number of electron    2497.9999899 magnetization 
 augmentation part      162.5845535 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2484
  2.6241  1.9653  1.0441  1.0441  1.2974  0.9658  0.9658  1.0035  0.9421  0.6320

  free energy =  -0.455385207622E+04  energy without entropy=  -0.455400250172E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   30(  12)  ---------------------------------------



 eigenvalue-minimisations  :  2656
 total energy-change (2. order) :-0.1193613E-03  (-0.2261520E-05)
 number of electron    2497.9999899 magnetization 
 augmentation part      162.5850054 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2952
  2.7156  2.3821  1.0633  1.0633  1.3792  1.3792  0.9599  0.9599  0.8514  0.8514
  0.6417

  free energy =  -0.455385219558E+04  energy without entropy=  -0.455400260959E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   30(  13)  ---------------------------------------



 eigenvalue-minimisations  :  2992
 total energy-change (2. order) :-0.1494985E-03  (-0.2809076E-05)
 number of electron    2497.9999899 magnetization 
 augmentation part      162.5854149 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3050
  3.0282  2.5144  1.4131  1.4131  1.0476  1.0476  0.9484  0.9484  0.9399  0.9399
  0.7820  0.6377

  free energy =  -0.455385234508E+04  energy without entropy=  -0.455400277826E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   30(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2456
 total energy-change (2. order) :-0.7259203E-04  (-0.1011178E-05)
 number of electron    2497.9999899 magnetization 
 augmentation part      162.5853486 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3633
  3.7243  2.5544  1.5238  1.5238  1.0690  1.0690  1.1278  1.1278  0.9251  0.9251
  0.8501  0.6511  0.6511

  free energy =  -0.455385241767E+04  energy without entropy=  -0.455400283846E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   30(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2600
 total energy-change (2. order) :-0.8277508E-04  (-0.1336400E-05)
 number of electron    2497.9999899 magnetization 
 augmentation part      162.5851172 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3769
  4.1839  2.5789  1.7620  1.4516  1.0480  1.0480  0.9965  0.9965  0.9532  0.9532
  0.9879  0.9879  0.6473  0.6820

  free energy =  -0.455385250044E+04  energy without entropy=  -0.455400292654E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   30(  16)  ---------------------------------------



 eigenvalue-minimisations  :  2392
 total energy-change (2. order) :-0.3175874E-04  (-0.2498289E-06)
 number of electron    2497.9999899 magnetization 
 augmentation part      162.5851374 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4194
  4.5759  2.5985  1.9773  1.0758  1.0758  1.2212  1.2212  1.3731  0.9393  0.9393
  1.0744  1.0210  0.9149  0.6434  0.6402

  free energy =  -0.455385253220E+04  energy without entropy=  -0.455400295704E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   30(  17)  ---------------------------------------



 eigenvalue-minimisations  :  2352
 total energy-change (2. order) :-0.3062011E-04  (-0.4640459E-06)
 number of electron    2497.9999899 magnetization 
 augmentation part      162.5851908 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4511
  5.0512  2.6692  2.3501  1.4249  1.4249  1.0451  1.0451  1.0917  1.0917  0.9867
  0.9867  0.9335  0.9335  0.8697  0.6376  0.6757

  free energy =  -0.455385256282E+04  energy without entropy=  -0.455400298690E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   30(  18)  ---------------------------------------



 eigenvalue-minimisations  :  2288
 total energy-change (2. order) :-0.1402522E-04  (-0.1280318E-06)
 number of electron    2497.9999899 magnetization 
 augmentation part      162.5851852 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4869
  5.5237  2.7762  2.5304  1.6784  1.0945  1.0945  1.1227  1.1227  1.2637  1.1188
  1.1188  0.9086  0.9086  0.8475  0.8475  0.6360  0.6844

  free energy =  -0.455385257685E+04  energy without entropy=  -0.455400300294E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   30(  19)  ---------------------------------------



 eigenvalue-minimisations  :  2272
 total energy-change (2. order) :-0.8475501E-05  (-0.1476414E-06)
 number of electron    2497.9999899 magnetization 
 augmentation part      162.5851852 magnetization 

  free energy =  -0.455385258532E+04  energy without entropy=  -0.455400301035E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0516       2 -56.2293       3 -56.1322       4 -55.8120       5 -55.8530
       6 -56.3581       7 -58.0722       8 -58.3466       9 -56.3506      10 -56.0685
      11 -56.1045      12 -55.8472      13 -55.7958      14 -56.0082      15 -58.0372
      16 -58.1507      17 -56.3003      18 -54.8873      19 -54.7675      20 -55.1362
      21 -55.6177      22 -55.6180      23 -55.7030      24 -55.6489      25 -55.0421
      26 -54.7670      27 -54.9222      28 -54.9867      29 -60.3821      30 -60.3536
      31 -55.6332      32 -55.8521      33 -55.7681      34 -55.2537      35 -55.5335
      36 -56.0055      37 -57.8656      38 -58.1095      39 -56.1108      40 -55.8439
      41 -55.9815      42 -55.7609      43 -55.7775      44 -55.9296      45 -58.0771
      46 -58.2442      47 -56.4841      48 -55.1208      49 -54.9363      50 -55.2882
      51 -55.8951      52 -55.8254      53 -55.7508      54 -55.7641      55 -55.1239
      56 -54.8088      57 -54.9463      58 -56.3483      59 -60.3897      60 -60.6118
      61 -56.0155      62 -56.1001      63 -55.9832      64 -55.7602      65 -55.8115
      66 -56.2746      67 -57.9999      68 -58.2217      69 -56.2996      70 -56.0067
      71 -56.1342      72 -55.7921      73 -55.7185      74 -55.9807      75 -58.0723
      76 -58.3001      77 -56.4751      78 -55.0385      79 -54.9292      80 -55.3132
      81 -55.7932      82 -55.8264      83 -55.8765      84 -55.9154      85 -55.1297
      86 -55.0084      87 -55.1094      88 -56.4387      89 -60.6912      90 -60.4346
      91 -55.7214      92 -55.8221      93 -55.7271      94 -55.4458      95 -55.5556
      96 -56.0411      97 -57.9014      98 -58.0123      99 -56.1440     100 -55.9340
     101 -56.0546     102 -55.6263     103 -55.6737     104 -55.9478     105 -58.0885
     106 -58.2919     107 -56.5047     108 -55.0862     109 -54.9522     110 -55.3479
     111 -55.8461     112 -55.7768     113 -55.7305     114 -55.8454     115 -55.1825
     116 -54.8771     117 -54.9780     118 -56.4060     119 -60.4986     120 -60.5170
     121 -55.9060     122 -55.9901     123 -55.8677     124 -55.7431     125 -55.7709
     126 -56.1592     127 -58.0114     128 -58.2087     129 -56.0740     130 -55.7668
     131 -55.8781     132 -55.6223     133 -55.5545     134 -55.7941     135 -57.8935
     136 -58.0559     137 -56.3712     138 -54.9887     139 -54.8870     140 -55.2224
     141 -55.7564     142 -55.8753     143 -55.8536     144 -55.8317     145 -55.1612
     146 -55.0005     147 -55.0871     148 -56.4099     149 -60.6048     150 -60.4974
     151 -55.5536     152 -55.6474     153 -55.5152     154 -55.3291     155 -55.4124
     156 -55.8479     157 -57.8328     158 -57.8844     159 -55.8745     160 -55.6553
     161 -55.8241     162 -55.4673     163 -55.5130     164 -55.7035     165 -58.0388
     166 -58.1156     167 -56.4584     168 -55.0857     169 -54.9129     170 -55.3210
     171 -55.9525     172 -55.9459     173 -55.8895     174 -55.7704     175 -55.2364
     176 -54.7205     177 -54.9343     178 -56.3331     179 -60.4481     180 -60.5683
     181 -55.9456     182 -56.1709     183 -56.0158     184 -55.7089     185 -55.7180
     186 -56.2543     187 -57.9998     188 -58.2464     189 -56.2367     190 -55.8874
     191 -56.0088     192 -55.7784     193 -55.6912     194 -55.9016     195 -58.0269
     196 -58.2590     197 -56.4563     198 -54.9483     199 -54.9103     200 -55.3054
     201 -55.8318     202 -55.9389     203 -55.8593     204 -55.8137     205 -55.1904
     206 -55.1244     207 -55.0528     208 -56.4118     209 -60.7168     210 -60.4929
     211 -56.0196     212 -56.1876     213 -55.9938     214 -55.7684     215 -55.7586
     216 -56.2807     217 -58.1397     218 -58.3468     219 -56.1825     220 -55.8673
     221 -55.9684     222 -55.6517     223 -55.5176     224 -55.8247     225 -57.9447
     226 -58.1960     227 -56.4010     228 -54.9295     229 -54.9551     230 -55.1057
     231 -55.6577     232 -55.9405     233 -56.0064     234 -55.6155     235 -55.2340
     236 -55.0531     237 -55.1457     238 -56.4850     239 -60.3046     240 -60.3252
     241 -55.9554     242 -56.0181     243 -55.9056     244 -55.7445     245 -55.7878
     246 -56.2161     247 -57.9977     248 -58.1987     249 -56.2097     250 -55.9032
     251 -56.0219     252 -55.7573     253 -55.7466     254 -55.9333     255 -57.9847
     256 -58.1200     257 -56.3829     258 -55.0756     259 -54.9062     260 -55.1720
     261 -55.7787     262 -55.8334     263 -55.9053     264 -55.9598     265 -55.5023
     266 -54.9400     267 -55.1399     268 -56.4954     269 -60.5760     270 -60.3365
     271 -55.9025     272 -55.9829     273 -55.8145     274 -55.7489     275 -55.7104
     276 -56.0957     277 -58.1246     278 -58.1989     279 -55.8314     280 -55.6651
     281 -55.7353     282 -55.4448     283 -55.3516     284 -55.6633     285 -58.0208
     286 -58.0318     287 -56.5077     288 -55.0419     289 -54.9079     290 -55.3859
     291 -55.8380     292 -55.8033     293 -55.7887     294 -55.7548     295 -55.0770
     296 -54.8089     297 -54.9103     298 -56.3346     299 -60.3604     300 -60.5367
     301 -55.8844     302 -56.0241     303 -55.8800     304 -55.5958     305 -55.6490
     306 -56.1274     307 -58.0510     308 -58.2533     309 -56.1600     310 -55.8364
     311 -55.9751     312 -55.6954     313 -55.6465     314 -55.8731     315 -57.9425
     316 -58.1345     317 -56.3679     318 -54.9326     319 -54.8317     320 -55.1736
     321 -55.7343     322 -55.7813     323 -55.8620     324 -55.8472     325 -55.1361
     326 -55.0459     327 -55.1707     328 -56.4669     329 -60.5259     330 -60.3103
     331 -55.7900     332 -55.8142     333 -55.6780     334 -55.6269     335 -55.6042
     336 -56.0144     337 -57.9446     338 -57.9320     339 -55.8049     340 -55.5301
     341 -55.6615     342 -55.4336     343 -55.4280     344 -55.6303     345 -57.8610
     346 -57.9729     347 -56.3643     348 -54.8737     349 -54.8324     350 -55.2438
     351 -55.7342     352 -55.8006     353 -55.7491     354 -55.6407     355 -55.1383
     356 -54.7255     357 -54.8764     358 -56.3233     359 -60.3172     360 -60.4476
     361 -39.0489     362 -38.7687     363 -38.9223     364 -39.0562     365 -38.9769
     366 -38.6934     367 -38.1170     368 -38.0806     369 -37.9544     370 -38.1402
     371 -38.2030     372 -38.1756     373 -38.7708     374 -38.3089     375 -38.6549
     376 -38.8820     377 -38.8220     378 -38.7211     379 -38.2621     380 -38.1362
     381 -38.1888     382 -38.0240     383 -38.2331     384 -37.9908     385 -38.8085
     386 -38.7024     387 -38.8042     388 -38.8912     389 -38.8432     390 -38.5551
     391 -38.2903     392 -38.1269     393 -38.1296     394 -37.9817     395 -38.1889
     396 -38.2874     397 -38.7595     398 -38.3276     399 -38.6584     400 -38.8463
     401 -38.6245     402 -38.7470     403 -38.3750     404 -38.1483     405 -38.2519
     406 -38.0368     407 -38.0381     408 -37.8766     409 -38.7449     410 -38.7447
     411 -38.9125     412 -38.6714     413 -38.8091     414 -38.5146     415 -38.1567
     416 -38.1726     417 -38.0532     418 -38.0280     419 -38.1735     420 -38.2474
     421 -38.5178     422 -38.1805     423 -38.4594     424 -38.6360     425 -38.4552
     426 -38.6292     427 -38.1805     428 -38.0860     429 -38.3061     430 -38.1438
     431 -38.1717     432 -38.0466     433 -38.7853     434 -38.6493     435 -38.9004
     436 -38.7093     437 -38.9371     438 -38.5819     439 -38.5233     440 -38.1279
     441 -38.1748     442 -38.1366     443 -38.2363     444 -38.1438     445 -38.8604
     446 -38.7903     447 -38.8317     448 -38.7349     449 -38.6655     450 -38.3289
     451 -38.0721     452 -37.8932     453 -38.0146     454 -38.0604     455 -37.9998
     456 -38.0376     457 -38.8775     458 -38.6223     459 -38.8660     460 -38.8599
     461 -38.8493     462 -38.6219     463 -38.4730     464 -38.2732     465 -37.9597
     466 -38.2948     467 -38.1663     468 -38.2585     469 -38.8764     470 -38.7547
     471 -38.7810     472 -38.6806     473 -38.4946     474 -38.3371     475 -38.2223
     476 -38.0539     477 -38.2529     478 -37.9630     479 -38.1760     480 -37.9783
     481 -38.8064     482 -38.6714     483 -38.8155     484 -38.7959     485 -38.8387
     486 -38.6829     487 -38.1711     488 -38.1120     489 -38.0537     490 -38.0150
     491 -38.2096     492 -38.3470     493 -38.8486     494 -38.4635     495 -38.6177
     496 -38.6410     497 -38.4143     498 -38.3855     499 -38.1825     500 -37.9328
     501 -38.1327     502 -38.0270     503 -38.0735     504 -37.9085     505 -38.3208
     506 -41.2300     507 -71.6908     508 -71.6319     509 -71.5419     510 -71.6918
     511 -71.5939     512 -71.6799     513 -71.4589     514 -71.6971     515 -71.6051
     516 -71.4865     517 -71.4027     518 -71.3956     519 -71.5849     520 -71.7293
     521 -71.6284     522 -71.5566     523 -71.5981     524 -71.5201     525 -71.7461
     526 -71.4461     527 -71.6316     528 -71.5507     529 -71.2261     530 -71.4425
     531 -76.9589     532 -76.6430     533 -76.8211     534 -76.5762     535 -76.7184
     536 -76.5937     537 -76.8849     538 -76.6636     539 -76.7753     540 -76.4317
     541 -76.9373     542 -76.6521     543 -76.6082     544 -76.5816     545 -76.9135
     546 -76.6717     547 -76.8504     548 -76.6902     549 -76.6896     550 -76.5140
     551 -76.5358     552 -76.5001     553 -76.8304     554 -76.9830     555 -76.7448
     556 -76.7196     557 -76.9166     558 -76.6746     559 -76.8732     560 -76.7947
     561 -76.8109     562 -76.5896     563 -76.8763     564 -76.5252     565 -76.7336
     566 -76.5876     567 -76.8195     568 -76.7241     569 -76.5939     570 -76.8439
     571 -76.8880     572 -76.6722     573 -76.7651     574 -76.5703     575 -76.5428
     576 -76.5351     577 -76.7071     578 -76.5010     579 -82.5502     580 -82.2545
     581 -82.3426     582 -82.4449     583 -82.2217     584 -82.1917     585 -82.3976
     586 -82.5299     587 -82.6927     588 -82.2661     589 -82.1556     590 -82.3261
     591 -82.5356     592 -82.2207     593 -82.4255     594 -82.7258     595 -82.3663
     596 -82.7051     597 -82.3467     598 -82.4341     599 -82.6358     600 -82.2004
     601 -82.2358     602 -82.5400     603 -82.5784     604 -82.2875     605 -82.7167
     606 -82.6488     607 -82.6574     608 -82.3784     609 -82.5281     610 -82.2460
     611 -82.6717     612 -82.4576     613 -82.3252     614 -82.1473     615 -82.3973
     616 -82.6913     617 -82.4718     618 -82.8832     619 -82.6243     620 -82.9496
     621 -82.1883     622 -82.4432     623 -82.4448     624 -82.4910     625 -82.3009
     626 -82.1949     627 -82.2038     628 -82.2946     629 -82.1556     630 -82.3760
     631 -82.5006     632 -82.3237     633 -82.3393     634 -82.4090     635 -82.6345
     636 -82.2914     637 -82.1853     638 -82.1929     639 -82.0481     640 -82.3363
     641 -82.3269     642 -82.4253     643 -82.5103     644 -82.3838     645 -82.2725
     646 -82.4677     647 -82.5594     648 -82.3329     649 -82.1754     650 -82.1496
 
 
 
 E-fermi :  -1.4091     XC(G=0):  -6.4308     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.4823      2.00000
      2     -29.1630      2.00000
      3     -29.1055      2.00000
      4     -29.0119      2.00000
      5     -29.0008      2.00000
      6     -28.9968      2.00000
      7     -28.9698      2.00000
      8     -28.9465      2.00000
      9     -28.9327      2.00000
     10     -28.9224      2.00000
     11     -28.8831      2.00000
     12     -28.8604      2.00000
     13     -28.8396      2.00000
     14     -28.8374      2.00000
     15     -28.8302      2.00000
     16     -28.8126      2.00000
     17     -28.8027      2.00000
     18     -28.7229      2.00000
     19     -28.6840      2.00000
     20     -28.6145      2.00000
     21     -28.6098      2.00000
     22     -28.5848      2.00000
     23     -28.5565      2.00000
     24     -28.4375      2.00000
     25     -27.3460      2.00000
     26     -26.9490      2.00000
     27     -26.8707      2.00000
     28     -26.7566      2.00000
     29     -26.7381      2.00000
     30     -26.7361      2.00000
     31     -26.7224      2.00000
     32     -26.6963      2.00000
     33     -26.6762      2.00000
     34     -26.6308      2.00000
     35     -26.6014      2.00000
     36     -26.5947      2.00000
     37     -26.5946      2.00000
     38     -26.5914      2.00000
     39     -26.5713      2.00000
     40     -26.5609      2.00000
     41     -26.5604      2.00000
     42     -26.5364      2.00000
     43     -26.4995      2.00000
     44     -26.4747      2.00000
     45     -26.4559      2.00000
     46     -26.4481      2.00000
     47     -26.4426      2.00000
     48     -26.4349      2.00000
     49     -26.4055      2.00000
     50     -26.4022      2.00000
     51     -26.3926      2.00000
     52     -26.3923      2.00000
     53     -26.3898      2.00000
     54     -26.3838      2.00000
     55     -26.3713      2.00000
     56     -26.3613      2.00000
     57     -26.3564      2.00000
     58     -26.3461      2.00000
     59     -26.3293      2.00000
     60     -26.2892      2.00000
     61     -26.2887      2.00000
     62     -26.2845      2.00000
     63     -26.2727      2.00000
     64     -26.2615      2.00000
     65     -26.2519      2.00000
     66     -26.2158      2.00000
     67     -26.2145      2.00000
     68     -26.2086      2.00000
     69     -26.2075      2.00000
     70     -26.1527      2.00000
     71     -26.1482      2.00000
     72     -26.1458      2.00000
     73     -23.6404      2.00000
     74     -23.2800      2.00000
     75     -23.1368      2.00000
     76     -23.1326      2.00000
     77     -23.1103      2.00000
     78     -23.1065      2.00000
     79     -23.1028      2.00000
     80     -23.0985      2.00000
     81     -23.0614      2.00000
     82     -23.0532      2.00000
     83     -23.0200      2.00000
     84     -23.0166      2.00000
     85     -23.0095      2.00000
     86     -22.9968      2.00000
     87     -22.9945      2.00000
     88     -22.9798      2.00000
     89     -22.9588      2.00000
     90     -22.9537      2.00000
     91     -22.9239      2.00000
     92     -22.9178      2.00000
     93     -22.8699      2.00000
     94     -22.8676      2.00000
     95     -22.8391      2.00000
     96     -22.8020      2.00000
     97     -22.7175      2.00000
     98     -22.6599      2.00000
     99     -22.6400      2.00000
    100     -22.6369      2.00000
    101     -22.5875      2.00000
    102     -22.5873      2.00000
    103     -22.5832      2.00000
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   1247      -1.5605      1.95634
   1248      -1.5337      1.85999
   1249      -1.5256      1.82386
   1250       0.0191     -0.00000
   1251       0.0395     -0.00000
   1252       0.1156     -0.00000
   1253       0.1313     -0.00000
   1254       0.1784     -0.00000
   1255       0.1931     -0.00000
   1256       0.2339     -0.00000
   1257       0.2659     -0.00000
   1258       0.2737     -0.00000
   1259       0.3170     -0.00000
   1260       0.3402     -0.00000
   1261       0.5160     -0.00000
   1262       0.5417     -0.00000
   1263       0.5874     -0.00000
   1264       0.6100     -0.00000
   1265       0.6207     -0.00000
   1266       0.6611     -0.00000
   1267       0.6820     -0.00000
   1268       0.7057     -0.00000
   1269       0.7181     -0.00000
   1270       0.7405     -0.00000
   1271       0.7473     -0.00000
   1272       0.7715     -0.00000
   1273       0.7821     -0.00000
   1274       0.8082     -0.00000
   1275       0.8423     -0.00000
   1276       0.8626     -0.00000
   1277       0.9041     -0.00000
   1278       0.9096     -0.00000
   1279       0.9525     -0.00000
   1280       1.0037     -0.00000
   1281       1.0189     -0.00000
   1282       1.0422     -0.00000
   1283       1.0690     -0.00000
   1284       1.1106     -0.00000
   1285       1.1665     -0.00000
   1286       1.1863     -0.00000
   1287       1.2504     -0.00000
   1288       1.3195     -0.00000
   1289       1.3294     -0.00000
   1290       1.3601     -0.00000
   1291       1.4363     -0.00000
   1292       1.5145     -0.00000
   1293       1.5303     -0.00000
   1294       1.5468     -0.00000
   1295       1.6015     -0.00000
   1296       1.6343     -0.00000
   1297       1.6553     -0.00000
   1298       1.7819     -0.00000
   1299       1.8129     -0.00000
   1300       1.8609     -0.00000
   1301       1.8798     -0.00000
   1302       1.8949     -0.00000
   1303       1.9150     -0.00000
   1304       1.9661     -0.00000
   1305       1.9839     -0.00000
   1306       2.0222     -0.00000
   1307       2.0478     -0.00000
   1308       2.0572     -0.00000
   1309       2.0637     -0.00000
   1310       2.0791     -0.00000
   1311       2.1222     -0.00000
   1312       2.1465     -0.00000
   1313       2.1586     -0.00000
   1314       2.1880     -0.00000
   1315       2.2086     -0.00000
   1316       2.2349     -0.00000
   1317       2.2495     -0.00000
   1318       2.2719     -0.00000
   1319       2.2863     -0.00000
   1320       2.3300     -0.00000
   1321       2.3381     -0.00000
   1322       2.3635     -0.00000
   1323       2.3776     -0.00000
   1324       2.4077     -0.00000
   1325       2.4320     -0.00000
   1326       2.4712     -0.00000
   1327       2.4774     -0.00000
   1328       2.5001     -0.00000
   1329       2.5232     -0.00000
   1330       2.5287     -0.00000
   1331       2.5342     -0.00000
   1332       2.5526     -0.00000
   1333       2.5725     -0.00000
   1334       2.5868     -0.00000
   1335       2.6044     -0.00000
   1336       2.6272     -0.00000
   1337       2.6335     -0.00000
   1338       2.6583     -0.00000
   1339       2.6638     -0.00000
   1340       2.6943     -0.00000
   1341       2.6986     -0.00000
   1342       2.7367     -0.00000
   1343       2.7492     -0.00000
   1344       2.8011     -0.00000
   1345       2.8480     -0.00000
   1346       2.9079     -0.00000
   1347       2.9647     -0.00000
   1348       3.0131     -0.00000
   1349       3.0310     -0.00000
   1350       3.0495     -0.00000
   1351       3.0713     -0.00000
   1352       3.0806     -0.00000
   1353       3.1039     -0.00000
   1354       3.1405     -0.00000
   1355       3.1446     -0.00000
   1356       3.1647     -0.00000
   1357       3.1834     -0.00000
   1358       3.2149     -0.00000
   1359       3.2455     -0.00000
   1360       3.2725     -0.00000
   1361       3.3094     -0.00000
   1362       3.3994     -0.00000
   1363       3.4555     -0.00000
   1364       3.5159     -0.00000
   1365       3.6014     -0.00000
   1366       3.6338     -0.00000
   1367       3.6683     -0.00000
   1368       3.6850     -0.00000
   1369       3.7350     -0.00000
   1370       3.7496     -0.00000
   1371       3.7619     -0.00000
   1372       3.7755     -0.00000
   1373       3.7902     -0.00000
   1374       3.8170     -0.00000
   1375       3.8425     -0.00000
   1376       3.8510     -0.00000
   1377       3.8760     -0.00000
   1378       3.9051     -0.00000
   1379       3.9126     -0.00000
   1380       3.9243      0.00000
   1381       3.9292      0.00000
   1382       3.9432      0.00000
   1383       3.9663      0.00000
   1384       3.9825      0.00000
   1385       3.9941      0.00000
   1386       4.0200      0.00000
   1387       4.0224      0.00000
   1388       4.0377      0.00000
   1389       4.0678      0.00000
   1390       4.0712      0.00000
   1391       4.0784      0.00000
   1392       4.0993      0.00000
   1393       4.1072      0.00000
   1394       4.1135      0.00000
   1395       4.1304      0.00000
   1396       4.1331      0.00000
   1397       4.1515      0.00000
   1398       4.1686      0.00000
   1399       4.1728      0.00000
   1400       4.1921      0.00000
   1401       4.2088      0.00000
   1402       4.2198      0.00000
   1403       4.2297      0.00000
   1404       4.2449      0.00000
   1405       4.2598      0.00000
   1406       4.2682      0.00000
   1407       4.2766      0.00000
   1408       4.2858      0.00000
   1409       4.2987      0.00000
   1410       4.3062      0.00000
   1411       4.3362      0.00000
   1412       4.3574      0.00000
   1413       4.3631      0.00000
   1414       4.3737      0.00000
   1415       4.4059      0.00000
   1416       4.4137      0.00000
   1417       4.4253      0.00000
   1418       4.4465      0.00000
   1419       4.4573      0.00000
   1420       4.4638      0.00000
   1421       4.4799      0.00000
   1422       4.4906      0.00000
   1423       4.5064      0.00000
   1424       4.5236      0.00000
   1425       4.5525      0.00000
   1426       4.5686      0.00000
   1427       4.5869      0.00000
   1428       4.5935      0.00000
   1429       4.6086      0.00000
   1430       4.6146      0.00000
   1431       4.6399      0.00000
   1432       4.6769      0.00000
   1433       4.6956      0.00000
   1434       4.7159      0.00000
   1435       4.7517      0.00000
   1436       4.7734      0.00000
   1437       4.7896      0.00000
   1438       4.8289      0.00000
   1439       4.8369      0.00000
   1440       4.8497      0.00000
   1441       4.8646      0.00000
   1442       4.8894      0.00000
   1443       4.9150      0.00000
   1444       4.9374      0.00000
   1445       4.9443      0.00000
   1446       4.9610      0.00000
   1447       4.9746      0.00000
   1448       4.9803      0.00000
   1449       4.9919      0.00000
   1450       5.0103      0.00000
   1451       5.0292      0.00000
   1452       5.0317      0.00000
   1453       5.0509      0.00000
   1454       5.0781      0.00000
   1455       5.0932      0.00000
   1456       5.1145      0.00000
   1457       5.1257      0.00000
   1458       5.1397      0.00000
   1459       5.1563      0.00000
   1460       5.1747      0.00000
   1461       5.2000      0.00000
   1462       5.2078      0.00000
   1463       5.2194      0.00000
   1464       5.2303      0.00000
   1465       5.2416      0.00000
   1466       5.2588      0.00000
   1467       5.2843      0.00000
   1468       5.2932      0.00000
   1469       5.3054      0.00000
   1470       5.3111      0.00000
   1471       5.3259      0.00000
   1472       5.3461      0.00000
   1473       5.3505      0.00000
   1474       5.3575      0.00000
   1475       5.3718      0.00000
   1476       5.3910      0.00000
   1477       5.3975      0.00000
   1478       5.4089      0.00000
   1479       5.4231      0.00000
   1480       5.4347      0.00000
   1481       5.4436      0.00000
   1482       5.4514      0.00000
   1483       5.4591      0.00000
   1484       5.4632      0.00000
   1485       5.4707      0.00000
   1486       5.4776      0.00000
   1487       5.4916      0.00000
   1488       5.4999      0.00000
   1489       5.5040      0.00000
   1490       5.5193      0.00000
   1491       5.5235      0.00000
   1492       5.5392      0.00000
   1493       5.5408      0.00000
   1494       5.5524      0.00000
   1495       5.5590      0.00000
   1496       5.5707      0.00000
   1497       5.5806      0.00000
   1498       5.5963      0.00000
   1499       5.6056      0.00000
   1500       5.6103      0.00000
   1501       5.6175      0.00000
   1502       5.6354      0.00000
   1503       5.6361      0.00000
   1504       5.6592      0.00000
   1505       5.6635      0.00000
   1506       5.6701      0.00000
   1507       5.6801      0.00000
   1508       5.6838      0.00000
   1509       5.6933      0.00000
   1510       5.7049      0.00000
   1511       5.7106      0.00000
   1512       5.7169      0.00000
   1513       5.7235      0.00000
   1514       5.7266      0.00000
   1515       5.7437      0.00000
   1516       5.7579      0.00000
   1517       5.7622      0.00000
   1518       5.7678      0.00000
   1519       5.7776      0.00000
   1520       5.7907      0.00000
   1521       5.7965      0.00000
   1522       5.8114      0.00000
   1523       5.8222      0.00000
   1524       5.8243      0.00000
   1525       5.8354      0.00000
   1526       5.8428      0.00000
   1527       5.8515      0.00000
   1528       5.8634      0.00000
   1529       5.8681      0.00000
   1530       5.8859      0.00000
   1531       5.8870      0.00000
   1532       5.8988      0.00000
   1533       5.9114      0.00000
   1534       5.9142      0.00000
   1535       5.9207      0.00000
   1536       5.9274      0.00000
   1537       5.9384      0.00000
   1538       5.9427      0.00000
   1539       5.9644      0.00000
   1540       5.9741      0.00000
   1541       5.9765      0.00000
   1542       5.9848      0.00000
   1543       6.0035      0.00000
   1544       6.0107      0.00000
   1545       6.0178      0.00000
   1546       6.0218      0.00000
   1547       6.0349      0.00000
   1548       6.0386      0.00000
   1549       6.0533      0.00000
   1550       6.0602      0.00000
   1551       6.0696      0.00000
   1552       6.0750      0.00000
   1553       6.0825      0.00000
   1554       6.0916      0.00000
   1555       6.0964      0.00000
   1556       6.0996      0.00000
   1557       6.1127      0.00000
   1558       6.1223      0.00000
   1559       6.1331      0.00000
   1560       6.1366      0.00000
   1561       6.1391      0.00000
   1562       6.1549      0.00000
   1563       6.1591      0.00000
   1564       6.1725      0.00000
   1565       6.1785      0.00000
   1566       6.1814      0.00000
   1567       6.1972      0.00000
   1568       6.2127      0.00000
   1569       6.2165      0.00000
   1570       6.2209      0.00000
   1571       6.2388      0.00000
   1572       6.2505      0.00000
   1573       6.2556      0.00000
   1574       6.2602      0.00000
   1575       6.2826      0.00000
   1576       6.2889      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.089  13.413  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.413  17.832  -0.001   0.002  -0.000   0.002  -0.006   0.001
 -0.001  -0.001  -4.234   0.002   0.000   8.280  -0.004  -0.000
  0.001   0.002   0.002  -4.234   0.001  -0.004   8.280  -0.001
 -0.000  -0.000   0.000   0.001  -4.226  -0.000  -0.001   8.271
  0.002   0.002   8.280  -0.004  -0.000 -18.325   0.006   0.001
 -0.004  -0.006  -0.004   8.280  -0.001   0.006 -18.322   0.001
  0.000   0.001  -0.000  -0.001   8.271   0.001   0.001 -18.315
 total augmentation occupancy for first ion, spin component:           1
  8.463  -3.812   0.168   0.125  -0.064   0.021   0.024  -0.010
 -3.812   1.790  -0.085  -0.085   0.039  -0.009  -0.014   0.006
  0.168  -0.085   1.782  -0.060  -0.031   0.169  -0.011  -0.006
  0.125  -0.085  -0.060   1.905  -0.070  -0.010   0.178  -0.010
 -0.064   0.039  -0.031  -0.070   1.219  -0.006  -0.010   0.080
  0.021  -0.009   0.169  -0.010  -0.006   0.018  -0.002  -0.001
  0.024  -0.014  -0.011   0.178  -0.010  -0.002   0.018  -0.001
 -0.010   0.006  -0.006  -0.010   0.080  -0.001  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -54443.82227107959.64989 33002.10326-12729.90465  6604.75889 24769.22321
  Hartree   819.55366134923.29914 71288.59614-13054.11362  4573.22801 19266.50165
  E(xc)  -10734.48102-10591.82598-10634.32732     2.44912     7.94394    30.50638
  Local   20237.93355************************ 25776.63799-11208.77101-43486.83945
  n-local -5847.49693 -5969.67752 -6025.54260     5.03900    14.60350   -57.07812
  augment  1489.68483  1537.34657  1487.42564     4.41824    13.43978    -1.02593
  Kinetic 45537.10299 43212.83676 43729.43073   -28.36653   -70.78187  -542.63249
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -33.6664688   -433.2444381   -125.1659220    -23.8404489    -65.5787629    -21.3447355
  in kB       -5.6141531    -72.2469779    -20.8724194     -3.9755857    -10.9357836     -3.5594055
  external PRESSURE =     -32.9111835 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.279E+03 -.119E+03 0.250E+03   0.279E+03 0.120E+03 -.251E+03   -.191E+00 -.607E+00 0.132E+01   -.187E-04 0.748E-04 -.343E-04
   -.234E+03 -.143E+03 0.505E+02   0.234E+03 0.144E+03 -.503E+02   -.690E-02 -.135E+01 -.318E+00   -.161E-04 0.490E-04 -.633E-04
   -.199E+03 -.133E+03 0.305E+01   0.198E+03 0.134E+03 -.139E+01   0.450E+00 -.121E+01 -.163E+01   -.714E-05 0.343E-04 -.810E-04
   -.251E+03 -.107E+03 0.351E+03   0.251E+03 0.107E+03 -.354E+03   0.411E-02 -.152E-01 0.233E+01   -.187E-04 0.815E-04 -.331E-04
   -.207E+03 -.156E+03 0.314E+03   0.206E+03 0.157E+03 -.315E+03   0.180E+00 -.739E+00 0.114E+01   -.144E-04 0.719E-04 -.721E-04
   -.181E+03 -.118E+03 0.174E+03   0.181E+03 0.118E+03 -.174E+03   0.135E+00 -.838E-01 0.205E+00   -.968E-05 0.309E-04 -.811E-04
   -.289E+03 -.139E+03 0.188E+03   0.289E+03 0.143E+03 -.190E+03   0.403E+00 -.454E+01 0.882E+00   -.196E-04 0.629E-04 -.344E-04
   -.212E+03 -.118E+03 0.225E+02   0.212E+03 0.122E+03 -.241E+02   -.372E+00 -.415E+01 0.215E+01   -.167E-04 0.521E-04 -.103E-03
   -.132E+03 0.612E+01 0.204E+03   0.132E+03 -.615E+01 -.204E+03   -.509E-01 0.741E-01 0.229E+00   -.219E-04 -.178E-04 -.886E-04
   -.107E+03 0.915E+02 0.678E+02   0.107E+03 -.931E+02 -.667E+02   0.420E+00 0.140E+01 -.118E+01   -.325E-04 -.182E-04 -.852E-04
   -.117E+03 0.120E+03 0.137E+03   0.117E+03 -.121E+03 -.137E+03   0.439E+00 0.987E+00 0.151E-01   -.579E-04 -.368E-04 -.793E-04
   -.134E+03 0.775E+01 0.341E+03   0.134E+03 -.831E+01 -.343E+03   -.160E-01 0.327E+00 0.121E+01   -.230E-04 -.488E-04 -.112E-03
   -.136E+03 -.297E+02 0.376E+03   0.136E+03 0.308E+02 -.378E+03   0.109E+00 -.849E+00 0.233E+01   -.586E-04 -.565E-04 -.957E-04
   -.147E+03 0.409E+02 0.314E+03   0.148E+03 -.410E+02 -.315E+03   -.334E+00 0.242E+00 0.154E+01   -.844E-04 -.616E-04 -.694E-04
   -.145E+03 0.119E+03 0.291E+03   0.145E+03 -.122E+03 -.294E+03   0.757E+00 0.403E+01 0.241E+01   -.113E-03 -.732E-04 -.524E-04
   -.114E+03 0.132E+03 0.106E+03   0.113E+03 -.135E+03 -.109E+03   0.521E+00 0.290E+01 0.345E+01   -.712E-04 -.335E-04 -.894E-04
   -.116E+03 0.124E+03 0.600E+02   0.116E+03 -.119E+03 -.559E+02   -.568E+00 -.458E+01 -.411E+01   -.986E-04 -.168E-04 -.289E-04
   -.419E+02 0.210E+03 -.154E+03   0.412E+02 -.211E+03 0.156E+03   0.791E+00 0.150E+01 -.183E+01   -.838E-04 0.938E-06 -.260E-04
   -.139E+02 0.157E+03 -.209E+03   0.134E+02 -.157E+03 0.211E+03   0.283E+00 0.263E+00 -.211E+01   -.748E-04 0.612E-05 0.157E-04
   -.104E+03 0.126E+03 0.195E+03   0.105E+03 -.125E+03 -.199E+03   -.945E+00 -.561E+00 0.340E+01   -.989E-04 -.113E-04 -.129E-04
   -.372E+02 0.914E+02 -.438E+01   0.358E+02 -.933E+02 0.554E+01   0.129E+01 0.207E+01 -.122E+01   -.783E-04 0.210E-04 -.113E-04
   -.421E+02 0.209E+02 -.152E+03   0.422E+02 -.213E+02 0.152E+03   -.144E+00 0.150E+00 -.107E+01   -.692E-04 0.521E-05 0.823E-05
   -.715E+02 -.280E+02 -.194E+03   0.718E+02 0.284E+02 0.194E+03   -.329E+00 -.362E+00 0.824E+00   -.436E-04 -.275E-04 0.265E-04
   -.578E+02 -.754E+02 -.256E+03   0.589E+02 0.771E+02 0.255E+03   -.113E+01 -.218E+01 0.132E+01   -.142E-04 -.659E-04 0.597E-04
   -.353E+02 -.154E+03 -.366E+03   0.348E+02 0.155E+03 0.368E+03   0.471E+00 -.757E+00 -.190E+01   0.448E-05 -.159E-03 0.624E-04
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 -----------------------------------------------------------------------------------------------
   -.258E+01 0.109E+01 0.148E+02   0.182E-11 0.580E-11 0.347E-11   0.259E+01 -.108E+01 -.148E+02   0.159E-02 0.956E-03 -.210E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.92298      3.16023      1.41678        -0.031660      0.007014     -0.153102
     12.73044      3.58875      2.72814        -0.022023     -0.082705     -0.057547
     12.67683      4.96102      3.04403         0.113220      0.253284      0.035097
     12.94791      4.07709      0.37336         0.110838     -0.164704     -0.179695
     12.91299      5.43744      0.66982         0.002321      0.238432      0.127066
     12.82158      5.93797      1.99989         0.070782     -0.103592      0.056238
     13.00858      1.67725      1.36779         0.370935     -0.666981     -0.675450
     12.53959      2.34802      3.56261        -0.011923     -0.339766      0.575164
     12.92176      7.43618      2.23325         0.001071      0.044999      0.198574
     12.86862      8.04366      3.52903         0.085234     -0.183941     -0.100167
     13.17464      9.40969      3.66753         0.103073     -0.114568      0.008746
     13.15229      8.31799      1.13598         0.125524     -0.231483      0.050031
     13.36103      9.68875      1.27973         0.198265      0.286251     -0.062187
     13.41527     10.22070      2.56344        -0.111185      0.112316      0.003556
     13.63396     11.62454      3.01480         0.341699      1.273849     -0.814280
     13.32966     10.25734      4.89367         0.029923     -0.025887      0.408555
     13.71069     12.74815      5.29793         0.021309      0.443576     -0.023462
     13.37626     12.67946      6.64867         0.012971     -0.115475      0.302744
     13.41171     13.78211      7.49697        -0.166853      0.029852     -0.019439
     14.00547     14.04155      4.83963         0.089251      0.393903      0.013907
     14.01413     15.14987      5.72256        -0.029320      0.140644     -0.055813
     13.75200     15.09761      7.14150        -0.024991     -0.201100     -0.349136
     13.78141     16.23449      8.17682         0.053696     -0.026917      0.262284
     13.24431     16.19650      9.51927        -0.087481     -0.433637      0.225309
     13.35635     17.28182     10.41627         0.000219     -0.305583      0.006837
     14.34280     17.50268      7.89344         0.119702     -0.153440      0.072614
     14.37588     18.59609      8.75203         0.146328      0.099447     -0.082365
     13.92594     18.49552     10.05676        -0.110958     -0.101506     -0.025133
     12.50316     15.02835     10.15980        -0.035466     -0.315557     -0.139140
     14.50199     16.40259      5.06376         0.505744     -0.270018     -0.045083
      9.66226      3.86280      4.80065         0.069736     -0.236196      0.055712
      9.78529      4.79894      3.78620         0.066267     -0.128267     -0.014516
      9.95222      6.15235      4.10206        -0.038348      0.307690      0.002233
      9.65700      4.22718      6.13289         0.103466     -0.028829      0.167517
      9.73034      5.57465      6.46514         0.147463      0.173281     -0.163554
      9.90956      6.57473      5.46920         0.011740     -0.123837     -0.260678
      9.49635      2.49909      4.24921         0.105614      0.355966     -0.132902
      9.75614      4.04757      2.48679        -0.111154      0.237947     -0.645060
     10.02557      8.01657      5.85260        -0.012056      0.176967     -0.176254
     10.23987      9.02368      4.86502        -0.149253     -0.286854      0.045246
     10.28627     10.35785      5.24883         0.126188      0.005124     -0.071285
      9.89641      8.44219      7.20195         0.081313     -0.070862      0.030271
      9.99359      9.78900      7.57587        -0.030185      0.035559      0.314956
     10.17566     10.73871      6.58115         0.121225      0.264943      0.117001
     10.30851     12.21591      6.67582        -0.093899      0.751763      0.959591
     10.49522     11.58078      4.43071        -0.255372      0.448239     -0.840396
     10.82321     14.06848      4.99420         0.056055      0.056601      0.121739
     11.31874     14.41944      3.73676         0.172889     -0.314137     -0.065951
     11.72275     15.71601      3.45035        -0.055336      0.057640     -0.119280
     10.79794     15.12001      5.92347        -0.078241      0.231522     -0.022020
     11.09198     16.46013      5.57350        -0.118042      0.415472      0.271511
     11.57624     16.85033      4.26029         0.047416      0.032415      0.252073
     12.03004     18.24206      3.75487         0.006811      0.002814     -0.157476
     12.52501     18.63899      2.44485         0.052067     -0.183367     -0.276985
     12.71125     20.00178      2.10703         0.237476     -0.201783      0.055041
     11.93448     19.34634      4.61828        -0.097849      0.079248     -0.100672
     12.15887     20.67989      4.30512        -0.172589      0.242184      0.142476
     12.54550     21.06039      3.02498        -0.000333     -0.039325     -0.129299
     12.86432     17.70867      1.23426         0.029418      0.258394      0.288386
     10.81789     17.41600      6.74739         0.333652      0.218725     -0.353705
     10.24216      7.14053     14.61392         0.055832     -0.296391     -0.030966
     10.13207      7.57441     15.93147        -0.045806     -0.075203      0.138128
     10.12231      8.94925     16.25452        -0.059361      0.154025      0.081472
     10.25030      8.07881     13.58278         0.129065      0.024221     -0.285313
     10.26149      9.45038     13.88089        -0.051274      0.087674      0.191102
     10.23678      9.94486     15.22173         0.014806     -0.217399      0.109019
     10.22796      5.63640     14.58893         0.636386     -1.786989     -1.914618
      9.88844      6.34490     16.77891        -0.259959     -0.386691      1.474758
     10.30446     11.44660     15.50230         0.100473      0.085796      0.181925
     10.23844     12.01329     16.81967         0.181904     -0.078069      0.016138
     10.44515     13.39998     17.00657         0.122099      0.040607      0.093861
     10.48694     12.37652     14.43182         0.081218     -0.203956      0.028872
     10.64162     13.75237     14.62268         0.126863      0.203029     -0.005808
     10.65351     14.25194     15.92336        -0.083890      0.032319      0.007676
     10.77236     15.66311     16.39488         0.239290      0.875703     -0.467927
     10.45536     14.26524     18.25346         0.108094      0.011657      0.448892
     10.61720     16.83851     18.64124         0.082736      0.299185      0.117225
     10.19544     16.79342     19.97077        -0.103182     -0.305677      0.043339
     10.00123     17.93388     20.74675        -0.055874      0.061557     -0.173883
     10.89057     18.14524     18.17337         0.147547      0.434411      0.139872
     10.83564     19.27810     19.03387         0.009711      0.335854     -0.180985
     10.34469     19.25266     20.40057         0.166142      0.103403     -0.165735
     10.16363     20.42453      0.14896         0.002453     -0.260032      0.377780
      9.66097     20.33615      1.51298         0.026129     -0.036305      0.266855
      9.55580      0.20528      2.36554        -0.183281     -0.178121      0.062676
     10.52206      0.50833     21.13330         0.288451     -0.115774     -0.120977
     10.21777      1.64217      0.62652         0.096513      0.026538     -0.073214
      9.73947      1.53158      1.92729        -0.087172     -0.281234      0.092320
      9.18202     19.08977      2.26070        -0.617682     -0.161001     -0.326520
     11.27101     20.58467     18.38334         0.346634     -0.407218      0.054066
      7.02254      7.64846     17.52069         0.257469     -0.059816      0.106439
      7.10184      8.60143     16.50782         0.385459     -0.180416      0.115017
      7.29357      9.95429     16.81752         0.010295      0.187471      0.087015
      7.10216      8.01525     18.86331         0.120475     -0.133553     -0.117554
      7.13989      9.37244     19.18035         0.231629      0.224947     -0.134405
      7.25258     10.38704     18.17909        -0.058845     -0.018311     -0.196064
      6.81424      6.30110     16.93413        -0.027361     -0.736883      0.149082
      7.07291      7.86580     15.19941        -0.124524      0.164433     -0.917456
      7.28848     11.85046     18.56153        -0.065944      0.164902     -0.138939
      7.46823     12.92666     17.62610        -0.113355     -0.387169     -0.101797
      7.39872     14.25218     18.06861         0.027923      0.143126      0.030839
      7.10164     12.21703     19.91782         0.129531     -0.176773     -0.165738
      7.10048     13.54449     20.35168         0.025330      0.033207      0.170170
      7.21253     14.56270     19.41582         0.046229      0.085135      0.054520
      7.22853     16.03769     19.60138        -0.156304      0.790172      0.933369
      7.58161     15.54659     17.33840        -0.163890      0.452900     -0.835165
      7.64270     18.02374     18.06427        -0.012993      0.059919     -0.030941
      8.29943     18.44742     16.90952         0.191673     -0.391284     -0.071695
      8.63842     19.77198     16.71323        -0.046033      0.331022     -0.156334
      7.35315     19.05269     18.98102        -0.166299      0.053579      0.032457
      7.50530     20.41644     18.63937        -0.089823      0.566168      0.032767
      8.18066     20.87802     17.44240        -0.044206     -0.073173      0.312184
      8.60790      1.03393     16.99000         0.139666     -0.227645     -0.343251
      9.10809      1.34846     15.67354        -0.028492     -0.158172     -0.285054
      9.47818      2.69434     15.33324         0.155057     -0.108869      0.152241
      8.63988      2.15549     17.85611        -0.152434     -0.225629      0.163023
      9.03114      3.44940     17.53141         0.213023      0.437265      0.285965
      9.48921      3.78374     16.25024         0.036090     -0.296062     -0.165319
      9.41836      0.31601     14.46950         0.521778      1.801059      0.305838
      6.97891      0.11161     19.69793         0.320897      0.174066     -0.187770
      6.98257     10.86284      6.11737        -0.000248     -0.118391     -0.119328
      6.81000     11.32829      7.41635        -0.008653     -0.149231      0.061821
      6.93244     12.68237      7.73602         0.016753      0.461002     -0.008180
      7.32491     11.73380      5.09416        -0.062850      0.015810     -0.169033
      7.45614     13.09221      5.39557        -0.120788      0.226562      0.108281
      7.24507     13.62483      6.70230        -0.161952     -0.065908      0.071757
      6.90507      9.37851      6.10108         0.072364     -0.153881     -0.121408
      6.62139     10.12820      8.29184         0.059439     -0.283145      0.527454
      7.34606     15.11988      6.93273        -0.168410      0.091211      0.165232
      7.10668     15.75758      8.19171        -0.072221     -0.270726     -0.077549
      7.22334     17.15675      8.30247         0.018207      0.072371      0.111393
      7.68864     15.97535      5.84357        -0.144055     -0.137746      0.171065
      7.71447     17.36355      5.95227        -0.050957      0.161621     -0.003328
      7.49030     17.95716      7.20190         0.017882      0.101386     -0.178891
      7.70717     19.37948      7.64793        -0.024289      0.268954     -0.225833
      7.23892     18.04761      9.51191        -0.052972     -0.054763      0.865465
      7.58267     20.58380      9.90034         0.098023      0.119359      0.004996
      7.11620     20.55661     11.21411        -0.081404     -0.164469      0.197764
      6.94044      0.44607     11.98398         0.043483      0.172602      0.353590
      7.97169      0.60642      9.46968         0.002994      0.252813      0.322682
      8.00770      1.70841     10.38383         0.020933      0.327908      0.024741
      7.47024      1.73119     11.72769         0.094533      0.172199     -0.347711
      7.40203      2.94659     12.77231         0.275899     -0.132747     -0.539892
      6.90282      2.90972     14.10614        -0.604554     -0.368226      0.774516
      6.75005      4.02858     14.97075         0.105815     -0.021974      0.222000
      7.84137      4.27450     12.51997         0.271963     -0.026985     -0.081661
      7.64402      5.41562     13.32138        -0.029562     -0.173423     -0.365803
      7.06511      5.34781     14.58855         0.064053     -0.311707      0.039666
      6.21180      1.72073     14.73987         0.534995     -0.621006      0.149028
      8.65496      2.92003      9.79329         0.443590      0.154194      0.146519
      4.04007     11.49933     10.76079         0.150775      0.006279      0.123325
      3.76665     12.37648      9.71499         0.145079     -0.001200     -0.069144
      3.82431     13.75947      9.88750         0.122621      0.145086      0.031699
      4.37991     11.97971     12.02202         0.148942     -0.111651      0.064044
      4.43802     13.36611     12.21441         0.040596      0.099065     -0.150635
      4.17277     14.29507     11.16166         0.053401     -0.154473     -0.132031
      3.85115     10.10392     10.30547         0.039379     -0.562165      0.223558
      3.39784     11.56468      8.51873        -0.060643      0.104906     -0.495682
      4.27287     15.77869     11.37663         0.019026      0.272108     -0.190173
      4.08393     16.72782     10.31647         0.003748     -0.386752      0.112449
      4.13980     18.10047     10.59709        -0.034738      0.110351     -0.296034
      4.62181     16.28937     12.65340         0.064567     -0.095982      0.076102
      4.76182     17.65709     12.88934        -0.007142      0.027927      0.004985
      4.41586     18.54513     11.87607         0.239416      0.391472      0.352339
      4.36222     20.04212     11.92070        -0.145283     -2.336949     -3.050566
      4.16455     19.32522      9.70880        -0.190508      0.178373      0.871416
      4.45669      0.63493     10.15615         0.057992     -0.125724      0.074698
      4.82286      0.95935      8.85047        -0.054582     -0.118581     -0.223552
      5.19825      2.25280      8.48303         0.082204      0.198274     -0.110474
      4.42728      1.75594     11.01728        -0.143643     -0.005740     -0.122457
      4.74149      3.09002     10.61081        -0.013381      0.417491      0.414785
      5.29201      3.40968      9.28643        -0.037671     -0.034964      0.658334
      5.89395      4.79353      8.72944         0.171635     -0.036541     -0.288169
      6.41498      5.12407      7.40451        -0.033505     -0.464166     -0.006101
      6.66423      6.46214      6.97856         0.117167     -0.287824      0.205081
      5.85372      5.95750      9.50979         0.120710     -0.038108      0.191560
      6.15761      7.25924      9.13613        -0.031074     -0.072250      0.160449
      6.51790      7.57403      7.83647         0.057983     -0.017920     -0.169338
      6.52524      4.06130      6.29420        -0.322974     -0.169177      0.259679
      4.50178      4.06300     11.81534         0.161340      0.211006     -0.495204
      1.12053     14.33044      0.79231        -0.059068     -0.000991     -0.326763
      1.71487     14.75844      1.97701        -0.030750     -0.173258      0.226282
      1.69005     16.13310      2.32289        -0.083646      0.085701      0.048357
      0.68678     15.22649     21.07536        -0.074019     -0.259165      0.057291
      0.74710     16.57641      0.11363        -0.230270      0.248880     -0.004405
      1.13901     17.08036      1.38519         0.114300     -0.154691      0.004487
      1.12994     12.85826      0.69727        -0.311679     -0.288112      0.028782
      2.33876     13.49743      2.59379         0.596239     -0.554158      1.144284
      1.00105     18.57437      1.58589         0.000800      0.260629      0.021217
      1.36730     19.26747      2.77966        -0.004975     -0.330733     -0.012776
      1.19069     20.65512      2.84424        -0.001606      0.126938     -0.047686
      0.51468     19.38511      0.50328        -0.021445     -0.214700      0.071846
      0.34956     20.76610      0.58555        -0.136999      0.118855     -0.139282
      0.66738      0.12961      1.78080        -0.010604      0.035851     -0.039110
      0.67211      1.58250      2.09360        -0.286794      0.075622     -0.465371
      1.60483      0.37484      3.89128         0.292395     -0.045544      0.466866
      1.44036      2.94339      4.04699        -0.122332      0.201181     -0.156106
      1.99839      2.95123      5.30518         0.069888     -0.037121      0.400179
      2.13942      4.10370      6.05024        -0.093753      0.303284     -0.262161
      1.03907      4.20954      3.57838        -0.075952      0.257936      0.170565
      1.21957      5.38386      4.35565        -0.067280      0.083854      0.022562
      1.84128      5.43607      5.65608        -0.166244      0.057601     -0.305624
      2.17353      6.70713      6.49613         0.069644      0.011308      0.053074
      2.67591      6.66366      7.82355         0.207502     -0.366433      0.415851
      3.17361      7.74783      8.58018        -0.043780      0.021732     -0.002673
      2.13122      8.07514      6.09165        -0.304220     -0.102080     -0.333831
      2.58223      9.17958      6.82141        -0.186761     -0.140153     -0.362085
      3.11024      9.06743      8.10649         0.137576     -0.450213      0.174167
      2.92631      5.35710      8.50880        -0.752416      0.323731      0.119506
      0.60525      6.60458      3.72780        -0.578117     -0.197637      0.240972
      4.69553     14.09030      0.68482        -0.043666     -0.029613      0.165732
      4.03145     15.00669     -0.13405        -0.057002     -0.313882      0.100254
      4.00531     16.38437      0.22132         0.015941      0.049781     -0.118860
      5.39671     14.53307      1.81169         0.021676     -0.395110     -0.121250
      5.41909     15.88617      2.12780        -0.020868      0.397178     -0.019640
      4.70642     16.87373      1.37886         0.051729      0.152281     -0.044146
      4.53905     12.69178      0.17334         0.118028     -0.610481      0.093893
      3.41915     14.16860     19.99189        -0.434539      0.176790     -1.025307
      4.76397     18.35467      1.84362        -0.011058      0.192233      0.026643
      4.09331     19.46042      1.21279         0.008239     -0.069268     -0.111303
      4.24609     20.78721      1.69710         0.097037      0.076494     -0.047360
      5.56153     18.71210      2.98252        -0.086261     -0.223036     -0.103125
      5.71527     20.02092      3.45540        -0.001645      0.249071      0.027665
      5.04846     21.06102      2.80375         0.114389     -0.202896      0.052864
      5.08741      1.27238      3.08600         0.075301     -0.061577      0.015970
      3.72382      0.87228      1.21400        -0.227996      0.214606     -0.453550
      3.94331      3.31564      2.10230         0.052414      0.485092     -0.072099
      3.07752      3.90397      1.17651        -0.369188      0.065046     -0.114708
      2.75281      5.26720      1.17332         0.013441      0.344752     -0.076647
      4.40230      4.25509      3.04504         0.061012      0.293074     -0.143786
      4.15407      5.65937      2.91002         0.058305     -0.185468      0.178413
      3.36045      6.33380      1.93295         0.449929     -0.156373      0.434155
      3.15243      7.99337      1.89252        -0.102862      0.082947     -0.649912
      2.20148      8.59983      1.00443         0.135447     -0.077776     -0.212316
      1.90460      9.97438      0.86836         0.182422      0.172290      0.304416
      3.71585      9.05267      2.69590         0.342242     -0.755159     -0.011033
      3.34267     10.41040      2.68446        -0.012190      0.058528      0.621062
      2.43805     10.95158      1.76738        -0.825134     -0.188343     -0.311086
      1.51025      7.68745      0.04770        -0.224073     -0.147722     -0.006849
      4.81731      6.44365      3.97383         0.359144      0.004221      0.256370
     18.21333     17.31639     13.46603         0.031080     -0.049803      0.049943
     19.26594     17.80640     14.23697        -0.041527      0.160558      0.130311
     19.52297     19.18169     14.34851        -0.280333      0.212518      0.117607
     17.40537     18.19267     12.74978        -0.273857     -0.024022     -0.063989
     17.61320     19.57007     12.89569         0.164401      0.172752      0.112459
     18.65733     20.12000     13.69857         0.104230     -0.028986      0.200852
     18.18935     15.82974     13.55235        -1.036899     -0.960716     -0.425238
     19.97520     16.63594     14.83822        -0.066672     -0.226321      0.409457
     18.78521      0.36627     13.90950         0.158241     -0.009189      0.225905
     19.81890      0.95664     14.71558        -0.163618     -0.486894      0.037868
     19.77361      2.31907     15.04272        -0.086339     -0.054659      0.199316
     17.79405      1.25210     13.40262         0.077353     -0.129194      0.246496
     17.79527      2.62645     13.68549        -0.189010      0.063875      0.011534
     18.78565      3.14795     14.52378        -0.154176      0.247300     -0.067676
     18.99239      4.54173     15.04241        -0.412988      0.567620     -0.100066
     20.57429      3.12942     16.03127         0.414710      0.016770      0.530875
     20.65326      5.63568     16.65188         0.121320     -0.166200     -0.162825
      0.69785      5.59604     17.13742         0.611547      0.512933      0.148759
      1.38086      6.77796     17.46890        -0.969458      0.193198      0.268645
     20.08861      6.91257     16.67423        -0.602708      0.329380     -0.297135
     20.70962      8.02830     17.29820        -0.533340      0.552417      0.064103
      0.81423      8.05280     17.74065         0.398676     -0.363488     -0.144873
      1.69438      9.21416     18.37138         0.079163     -0.570752     -0.061930
      3.02451      9.10958     18.95254        -0.042660      0.352066      0.461881
      3.66894     10.22220     19.63242         0.013139     -0.288791     -0.475194
      1.18026     10.49607     18.57646        -0.383176      0.296048      0.142004
      1.86225     11.61833     19.05988        -0.280691     -0.079577      0.051944
      3.12286     11.54088     19.62185         0.347237      0.006224      0.131741
      3.95525      7.89334     18.86940         0.597260      0.516991      0.193085
     19.74538      9.19136     17.46245        -0.572845      0.153806      0.004717
      2.05133     18.17538     14.10117        -0.414719     -0.207325      0.136490
      1.27651     19.12385     13.44378         0.025876      0.044521     -0.214712
      1.37573     20.48199     13.76256        -0.010069     -0.069295     -0.131488
      2.99981     18.55026     15.04697         0.093214     -0.148584      0.044346
      3.19958     19.90955     15.27532        -0.215365      0.333361     -0.113113
      2.34738     20.91139     14.71484        -0.440373     -0.015968     -0.285824
      1.70079     16.83819     13.58734         0.722526     -1.498028      0.359112
      0.44504     18.40252     12.41393        -0.292372      0.463711     -0.342441
      2.50071      1.10989     15.01449        -0.437221      0.439743     -0.277372
      1.77244      2.12219     14.29060         0.035256     -0.698364     -0.095815
      2.08444      3.46409     14.48226        -0.214020      0.246661      0.067023
      3.43231      1.55255     15.96981        -0.097119      0.141350      0.160779
      3.73279      2.91579     16.14847        -0.159898      0.084487      0.142612
      3.08637      3.85054     15.35835         0.172536      0.548697      0.613016
      3.21453      5.35941     15.36726        -1.600580     -1.432799     -1.012073
      1.42592      4.70399     14.00459        -1.700010      0.621050     -1.053611
      1.63682      7.23639     14.54978         0.029228     -0.040122      0.233217
      0.35285      7.55156     14.07816         0.059076     -0.234481      0.082395
     21.06875      8.83215     14.15450         0.026811     -0.164920     -0.098245
      2.28950      8.33863     15.15561         0.194420      0.421058     -0.081537
      1.75404      9.66010     15.14613         0.265914      0.320421      0.141641
      0.43003      9.99223     14.64005         0.134308      0.129809      0.167404
     20.91581     11.34400     14.64702        -0.137603     -0.047576     -0.319977
     19.57076     11.64771     14.14894        -0.254882     -0.174761     -0.137785
     19.08374     12.97197     14.04506        -0.128861     -0.394319      0.095883
      0.30497     12.53304     15.01681        -0.044787      0.177844     -0.078085
     -0.22223     13.81813     15.05422        -0.025743      0.252574     -0.131599
     19.77325     14.09521     14.54228        -0.285355     -0.166912     -0.058603
     18.52891     10.65505     13.56464         0.240212     -0.083125      0.067020
      2.71987     10.69392     15.74250        -0.348146      0.359258     -0.286993
     16.09925      0.41789      5.19591         0.043162     -0.066500     -0.065528
     16.91552      0.88595      6.22331        -0.020437     -0.138374      0.106569
     17.00708      2.25425      6.51051        -0.003210      0.285815      0.152502
     15.28739      1.29530      4.49916        -0.082144     -0.042635     -0.146083
     15.33914      2.65889      4.80207         0.123744      0.155296      0.141328
     16.22027      3.19828      5.77233         0.078126     -0.067277      0.189454
     16.35449     20.23135      4.95348        -0.191489     -0.535214     -0.504518
     17.61231     20.94659      6.80273         0.439338     -0.291515      0.470458
     16.27638      4.69969      5.99761         0.092390      0.110791      0.253449
     17.14674      5.31868      6.95044        -0.163539     -0.282050      0.037984
     17.09278      6.70557      7.16274        -0.056029     -0.027258      0.207023
     15.40313      5.57807      5.29013         0.093499     -0.188819      0.059719
     15.39064      6.96196      5.48712        -0.081208      0.113794     -0.078309
     16.25692      7.52738      6.41740        -0.179397      0.068636     -0.019130
     16.41815      8.94806      6.85373        -0.229200      0.341430     -0.221783
     17.71300      7.56060      8.23030         0.123133     -0.024894      0.470387
     17.79575     10.11310      8.62354        -0.072327      0.034287      0.090385
     18.82283     10.00877      9.54750         0.206335     -0.065756      0.209981
     19.41282     11.12423     10.13057         0.095493      0.084288     -0.001707
     17.35925     11.43139      8.38487         0.096330      0.277649      0.227021
     17.86971     12.53542      9.11901        -0.083498      0.394874     -0.097937
     18.97328     12.45977     10.06093        -0.074168      0.082627     -0.204225
     19.73014     13.59891     10.81780         0.330553     -0.362010      0.165519
     20.98145     13.48183     11.55806         0.222935      0.242281      0.092385
      0.39239     14.60516     12.12227         0.106077     -0.438528     -0.277581
     19.28795     14.93990     10.84903        -0.122364     -0.162754      0.140484
     19.98697     16.05910     11.32078        -0.000406     -0.028942      0.160855
     21.22085     15.93226     11.96278         0.102698     -0.594242      0.223463
      0.59631     12.24454     11.74900         0.134674      0.114972     -0.102427
     17.15173     13.82892      8.77009        -0.213311     -0.054490      0.336985
     20.36626      1.29212      6.12396         0.041826      0.166674     -0.084049
     19.81780      2.35162      5.38593        -0.100824      0.076030      0.088214
     19.84875      3.65590      5.83690         0.051126      0.062409      0.315671
     20.88470      1.52380      7.39040         0.173417     -0.078934      0.309729
     20.92687      2.84478      7.86271        -0.069731      0.001348      0.086616
     20.44316      3.94335      7.09636        -0.148959      0.020670     -0.038904
     20.17215      0.04316      5.34669         0.242384     -0.851745      0.146245
     19.09250      1.79313      4.20782        -0.225606      0.250403     -0.244109
     20.55131      5.36385      7.54393        -0.175306      0.406990      0.043759
     20.15787      6.42107      6.67980        -0.053099     -0.380935      0.211376
     20.43884      7.74311      7.02396        -0.442090     -0.017070     -0.278690
     -0.17090      5.73811      8.79633        -0.147217     -0.074533      0.303645
      0.16884      7.06334      9.09809        -0.047780     -0.214144      0.549621
     21.12270      8.05060      8.18031        -0.132615      0.367001      0.233863
      0.08663      9.51490      8.23103        -0.078563     -0.005833      0.062686
     20.07634      9.02380      6.34472         0.333851      0.011269      0.502437
     20.41648     11.49733      6.91370         0.124447     -0.146246      0.068255
     19.55233     11.90334      5.89760        -0.102085     -0.129119     -0.081919
     19.21597     13.23096      5.68453         0.079552      0.261005      0.021363
     20.94694     12.54754      7.68613         0.068749      0.403558     -0.102459
     20.66432     13.90374      7.37721         0.370185      0.459840      0.178644
     19.72090     14.35993      6.36423         0.326722      0.019228      0.290180
     19.20280     15.81088      6.08939        -0.031875     -0.008640     -0.166231
     18.32523     16.24844      5.02830         0.050400     -0.243213     -0.344837
     17.80130     17.55875      4.91842         0.237716     -0.071752     -0.040738
     19.47614     16.91418      6.93857         0.106860     -0.091772      0.030449
     18.90632     18.18237      6.89812         0.127716     -0.063055      0.199378
     17.99650     18.54126      5.90969         0.031393     -0.105425     -0.216959
     17.76882     15.32394      3.95628         0.179186     -0.315569     -0.191623
      0.24584     14.87814      8.19298        -0.089992      0.141375     -0.418218
     12.49771      5.27114      4.08879         0.172954     -0.146873     -0.428181
     12.95517      3.73271     20.59421         0.195382      0.039864      0.067465
     12.96257      6.12767     21.07700        -0.076548     -0.163036      0.270666
     12.57356      7.46227      4.42026         0.295036      0.178308     -0.327986
     13.22648      7.93333      0.11742        -0.118767     -0.059637      0.110085
     13.53445     10.33289      0.40870        -0.060794     -0.154235      0.121121
     13.08972     13.55448      8.49084         0.117393     -0.104623      0.246725
     13.02486     11.75476      7.08019         0.162107     -0.288267      0.097629
     14.18091     14.23381      3.76857         0.081469     -0.222286      0.638396
     12.96264     17.14637     11.42697         0.061101      0.108011     -0.187211
     14.70921     17.74480      6.91870         0.269803     -0.188841      0.094155
     14.72247     19.54373      8.33003         0.162277     -0.019570      0.191816
     10.14993      6.87552      3.29451        -0.291280     -0.260586      0.242671
      9.49461      3.46608      6.88730         0.295078      0.199866     -0.180142
      9.60123      5.84406      7.51988         0.215323     -0.007374     -0.231425
     10.38964      8.74827      3.81457        -0.232442      0.197540      0.227390
      9.69408      7.72204      8.00691         0.142934      0.106254     -0.302142
      9.91524     10.09067      8.63271        -0.003707     -0.105874     -0.321863
     12.27488     15.78221      2.53727         0.023134      0.111769     -0.354193
     11.58403     13.66224      3.00736        -0.265933     -0.085292     -0.130352
     10.60577     14.88687      6.96949        -0.253820      0.088093     -0.212758
     12.93537     20.22617      1.06725         0.255655      0.050402      0.222266
     11.64918     19.22794      5.64285        -0.098138     -0.148098      0.046454
     11.90839      0.16502      5.05841         0.252304     -0.014424      0.046885
      9.91718      9.25289     17.29742         0.370177     -0.182854     -0.375260
     10.18288      7.76370     12.53631         0.195423     -0.027654      0.124412
     10.23760     10.14336     13.02101         0.051975     -0.256408      0.441585
      9.98494     11.38337     17.68901         0.322699      0.217859     -0.263037
     10.53786     12.03479     13.39393        -0.042121     -0.094232      0.169919
     10.77524     14.43627     13.77504        -0.030663     -0.199520      0.085069
      9.57673     17.69919      0.44044        -0.140197      0.080169      0.078871
      9.97999     15.84401     20.45224        -0.046706     -0.087163     -0.088363
     11.05452     18.31465     17.09980         0.378664     -0.097007      0.562130
      9.39181      0.05267      3.43848        -0.310845      0.012680     -0.541782
     11.14270      0.76219     20.29128        -0.129047     -0.174963     -0.048010
     10.44398      2.61208      0.19644         0.050753      0.106628     -0.004171
      7.56702     10.65852     16.02198        -0.474917     -0.081478      0.064871
      6.99974      7.25984     19.64928         0.270755      0.132130     -0.189581
      7.04733      9.62598     20.24603         0.219614      0.032922     -0.341698
      7.70625     12.71987     16.57126        -0.325919      0.115411      0.295887
      6.89206     11.45396     20.67783         0.265620      0.208820     -0.255684
      6.95129     13.76378      0.15346         0.318661      0.000308     -0.300591
      9.41741     19.90654     15.99328         0.045985      0.072804     -0.330636
      8.73687     17.72661     16.22758        -0.136820     -0.075759     -0.119648
      7.09763     18.79222     20.01027        -0.418002      0.084295     -0.299343
      9.66370      2.92917     14.29044         0.443273     -0.169419      0.041329
      8.43085      2.03206     18.91344        -0.257664     -0.083258     -0.168758
      8.95767      4.21128     18.31215         0.136832     -0.142612     -0.113559
      6.80856     13.01539      8.77730         0.034635     -0.140176     -0.280475
      7.53519     11.35763      4.08619        -0.120192      0.076708      0.110454
      7.77056     13.74693      4.57201        -0.188444     -0.117892      0.256670
      6.83454     15.16855      9.08114         0.187213      0.169756     -0.217244
      8.02435     15.55074      4.88833        -0.269976      0.102076      0.231870
      8.07176     17.95358      5.10279        -0.329990     -0.032052      0.163062
      6.25954      0.27197     12.79877         0.414502      0.092942      0.319450
      6.79663     19.60416     11.63192        -0.065340      0.058145      0.050724
      8.18579      0.79518      8.41317         0.251808     -0.163899      0.381933
      6.46511      3.86313     16.02436        -0.015563      0.119777     -0.839724
      8.33035      4.53163     11.59867         0.095067     -0.101035      0.020231
      7.89031      6.35906     12.85056         0.184270      0.252821      0.127733
      3.57244     14.42576      9.05260         0.102407     -0.264102      0.157001
      4.57331     11.28451     12.85213        -0.023708      0.242269     -0.303391
      4.68128     13.71269     13.22790        -0.036691      0.006837     -0.328873
      3.91676     16.36022      9.29657        -0.028925      0.277249      0.147133
      4.72368     15.62403     13.52539         0.225086      0.160436     -0.484192
      5.12590     18.01871     13.85416        -0.092816     -0.041417     -0.149307
      5.42957      2.30616      7.44004         0.183289      0.063199     -0.196244
      4.89021      0.19780      8.07870        -0.153202     -0.065607     -0.037596
      4.26702      1.57649     12.08114        -0.380628      0.125360     -0.394508
      6.90139      6.65064      5.93181         0.221688     -0.192101      0.333947
      5.47454      5.93769     10.50560         0.013919     -0.168045      0.144587
      5.99458      8.02746      9.87892         0.095020      0.178918      0.130047
      2.11435     16.47457      3.28478        -0.210046     -0.176880     -0.366738
      0.39230     14.88901     20.07464        -0.108807     -0.004637      0.286225
      0.46891     17.26676     20.56446         0.022068     -0.297624      0.336350
      1.83388     18.74077      3.62852        -0.267844      0.167986     -0.226773
      0.26872     18.95201     20.78603         0.037105      0.009198      0.338536
      0.02023      0.10994     20.98629         0.023536     -0.249944      0.166953
      2.48722      3.81716      7.00518         0.087007      0.131445      0.101108
      2.30577      2.03218      5.78174         0.034121     -0.203853      0.030463
      0.58962      4.31332      2.59264        -0.074823     -0.108221      0.274271
      3.63892      7.56279      9.55316        -0.508230      0.081019     -0.326443
      1.72120      8.37371      5.13576         0.099069     -0.181103      0.101554
      2.48375     10.15158      6.36261        -0.043249      0.268513     -0.135423
      3.38571     17.07111     20.89016         0.320158     -0.101220     -0.045103
      5.95549     13.81279      2.42218        -0.165102      0.111023     -0.029242
      6.04225     16.16329      2.98871        -0.314153      0.055212     -0.207706
      3.42808     19.28751      0.35479         0.288926      0.084247      0.113909
      6.15133     17.95724      3.51909        -0.322900      0.105050     -0.205861
      6.38854     20.24947      4.29522        -0.215866     -0.159947     -0.136322
      1.89245      5.40186      0.55386        -0.010567      0.192898     -0.243583
      2.47771      3.28684      0.51195         0.148516     -0.012720     -0.108190
      4.91236      3.91241      3.94193         0.101736      0.106671     -0.401362
      1.30017     10.28873      0.00799        -0.094363     -0.230807      0.605859
      4.44107      8.85621      3.48353        -0.046297      0.077590     -0.554512
      3.73510     11.00853      3.51844         0.083720      0.061064     -0.455372
     20.39230     19.52481     14.92746        -0.393417     -0.139519     -0.004118
     16.61694     17.81478     12.08265         0.113674      0.093553      0.233373
     16.91370     20.22574     12.36533         0.233670     -0.040834      0.044234
     20.63942      0.33045     15.09924        -0.345859      0.229029      0.088953
     16.95023      0.84660     12.82937         0.244581      0.171568      0.061839
     16.97593      3.25099     13.30455         0.272981     -0.012532      0.062785
      2.42760      6.69224     17.38961         0.820029     -0.176179      0.465874
      1.27625      4.68222     17.13453         0.060878     -0.227319     -0.073570
     19.17407      7.08867     16.08608         0.147416     -0.106573      0.697275
      4.61000     10.03352     20.17855        -0.525929      0.086313     -0.467316
      0.15605     10.73542     18.35177        -0.099982     -0.131084     -0.251762
      1.33571     12.55990     18.98741        -0.047233      0.180994      0.079968
      0.72300     21.19356     13.23075         0.302022     -0.239686      0.196617
      3.64152     17.79977     15.53016        -0.221088      0.188346     -0.095576
      4.12336     20.18292     15.78966        -0.312464      0.157555      0.344350
      0.97136      1.82991     13.58966         0.398405      0.286146      0.199805
      4.09474      0.82383     16.45765        -0.580739      0.222620      0.180485
      4.54980      3.22317     16.80203        -0.396333      0.027615      0.205029
     20.05618      8.85973     13.80789        -0.282296      0.101535     -0.025560
     20.93867      6.76523     13.76535         0.032171     -0.152414     -0.365137
      3.18902      8.18897     15.76808        -0.083044      0.023595     -0.680889
     18.16632     13.11354     13.47210         0.059147      0.093412      0.449530
      1.35812     12.56824     15.19296         0.126591     -0.228150      0.057569
      0.45509     14.61841     15.32003         0.022778      0.113925      0.220787
     17.73779      2.60022      7.25406        -0.334003     -0.143467     -0.004664
     14.61707      0.90825      3.72909         0.310656      0.110236      0.112949
     14.65953      3.32341      4.25963         0.371669     -0.124339      0.103801
     17.87301      4.72097      7.51754        -0.342319      0.141711      0.013298
     14.68857      5.18121      4.56007         0.235361      0.026521      0.178310
     14.67248      7.58943      4.95045         0.281839     -0.132562      0.038688
     20.33547     10.85460     10.59776        -0.009440      0.170167      0.353970
     19.24641      9.03635      9.78502        -0.028811      0.019214      0.022266
     16.64897     11.63768      7.58689        -0.076463     -0.118746      0.268902
      1.29893     14.44118     12.72390        -0.495528      0.032681     -0.537974
     18.32477     15.19323     10.45101        -0.292486     -0.039134     -0.122501
     19.54119     17.02483     11.13932        -0.066420      0.299923      0.008751
     19.35909      4.42932      5.24358         0.106415     -0.080481     -0.037293
     21.21884      0.68519      8.02366        -0.000372      0.318327     -0.252585
      0.11743      3.00303      8.85292        -0.269614      0.042952     -0.281833
     19.70475      6.18025      5.71803        -0.107952      0.225116      0.377915
      0.08632      4.97190      9.53705        -0.415505      0.320917     -0.130450
      0.66799      7.30439     10.04402        -0.159183     -0.029167     -0.111995
     18.47946     13.32150      4.92430        -0.342165      0.208503     -0.315758
     19.05864     11.16405      5.28090         0.011626     -0.053442     -0.128643
      0.29935     12.33603      8.56947         0.025793      0.055721     -0.547931
     17.12215     17.75136      4.08969         0.273070      0.095135      0.121246
     20.14781     16.83062      7.76407         0.160988     -0.132456     -0.020975
     19.20493     18.89249      7.66267        -0.036144      0.006475      0.055274
     13.96905     19.32669     10.76308        -0.033697     -0.006342     -0.029964
     18.85690     21.01443      3.70224         0.029640     -0.304138     -0.449631
     12.70065      1.19400      2.67651        -0.110907      0.540368     -0.024253
     13.63150     11.61499      4.43748        -0.362298     -0.861402      0.160070
      9.61610      2.64054      2.81955         0.020069      0.031942     -0.008984
     10.52763     12.70938      5.35241         0.195448     -0.464479     -0.422838
      9.84626      5.16452     15.89608         0.297857      0.653908     -0.162908
     10.66921     15.66095     17.81424        -0.226967     -0.813399      0.036307
      6.91894      6.45777     15.49390         0.242072     -0.078276      0.483565
      7.44601     16.62674     18.31941         0.023833     -0.653378     -0.099554
      6.63856      8.95077      7.43144         0.125567      0.376579     -0.041437
      7.53268     19.40798      9.07276        -0.027333     -0.608562     -0.271964
      3.49410     10.17383      8.90330         0.097158      0.251979      0.278694
      4.23477     20.51053     10.57695         0.012920     -0.053523     -0.358459
      2.04150     12.36872      1.68734        -0.192004     -0.220241      0.052031
      1.24866      1.70753      3.37991         0.026062     -0.205453     -0.013038
      3.70950     12.74323     20.26093         0.262636      0.056037      0.607309
      4.19980      1.90569      2.15438         0.220966     -0.634905     -0.203163
     19.28931     15.43317     14.37136         0.362071      0.559712      0.220268
     20.06456      4.49432     15.99563        -0.170351     -0.592685     -0.259015
      0.72448     16.99823     12.56004        -0.509407      0.330760     -0.001476
      2.13118      5.86531     14.57591        -0.743923     -0.364926     -0.543754
     17.34948     19.82088      5.90120        -0.172503      0.415318     -0.022921
     17.34312      8.94637      7.93263        -0.163272     -0.438023      0.011330
     19.37332      0.42535      4.25125         0.129715      0.059658      0.019908
     20.66972     10.10217      7.13481        -0.500479     -0.229855     -0.614731
     12.32098      2.29211      4.77453         0.125298      0.073965     -0.912094
     13.33111      0.97771      0.40065        -0.133015      0.785045      0.815796
     13.22525      9.89084      6.05881        -0.103763      0.178690     -0.725479
     13.77000     12.63542      2.29914        -0.127979     -1.397965      0.820022
      9.82768      4.50778      1.34736        -0.123262     -0.390731      0.708362
      9.32631      1.46389      4.86589        -0.022760      0.010595      0.063795
     10.56179     11.64435      3.19620        -0.034903      0.067328      1.131811
     10.22964     12.91600      7.69645         0.005365     -0.882281     -1.029436
      9.71023      6.32601     18.00771         0.393473     -0.091386     -1.546617
     10.52993      4.89096     13.61188        -0.553480      1.791374      2.207278
     10.31471     13.90599     19.41775         0.209398      0.203522     -0.749483
     10.91171     16.68147     15.70703        -0.042476     -0.957684      0.297055
      7.14817      8.33972     14.06439        -0.064442     -0.339561      0.766500
      6.60905      5.24402     17.53937         0.194827      1.065150     -0.513058
      7.79193     15.70661     16.13232        -0.292172     -0.153574      0.992328
      7.09251     16.67358     20.66054         0.103786     -0.807388     -1.132251
      6.52829     10.12100      9.51750         0.195043     -0.047621     -0.661995
      7.09897      8.63500      5.14476        -0.073692      0.416766      0.225321
      7.05922     17.70134     10.68106         0.388299      0.266546     -0.883216
      8.00956     20.34503      6.95395        -0.329341     -0.414234      0.261150
      3.08217     11.97772      7.40548         0.188783     -0.232027      0.493561
      3.96501      9.07657     10.97683        -0.148951      0.724506     -0.486389
      4.20199     19.34805      8.50406        -0.087785      0.035592     -1.004585
      4.39938     20.72006     12.88390         0.108679      1.960803      2.868003
      2.98482     13.36625      3.63887        -0.787133      0.335495     -1.251748
      0.42049     12.19488     21.20273         0.248818      0.282502      0.384506
      2.16638      0.12781      4.95437        -0.291614      0.258414     -0.729836
      0.27824      2.50561      1.38118         0.094454     -0.541501      0.390001
      2.82489     14.56396     18.98517         0.594811     -0.369669      1.020256
      5.03914     11.66384      0.65624        -0.481687      0.981809     -0.416159
      3.03728      1.10569      0.22414         0.514140     -0.164160      0.565660
      5.76527      1.84444      3.92718        -0.120960     -0.223943     -0.233066
     -0.32775     16.66801     15.60813        -0.453902     -0.084411     -0.280736
     17.36839     15.05885     13.02848         0.774204      1.036106      0.709619
      0.20901      2.72546     16.77374        -0.750762      0.301572     -0.365888
     18.37241      5.55464     14.71571         0.354936     -0.651636      0.202970
     20.94087     18.89698     11.58635         0.486411     -0.356362      0.345355
      2.19088     15.74948     13.94349        -0.544723      1.346087     -0.139783
      0.38447      4.75649     13.31075         1.786790      0.046457      0.960195
      4.00887      6.03415     15.95217         1.408282      0.988935      0.816349
     18.26560     20.88016      7.84266        -0.461505      0.088252     -0.677521
     15.86207     19.51194      4.07708         0.362502      0.715406      0.657110
     18.32541      7.17620      9.22035        -0.459819      0.240968     -0.429061
     15.87037      9.94912      6.39747         0.490636     -0.529596      0.049558
     18.35200      2.34684      3.39704         0.441824     -0.186096      0.307888
     20.59772     20.15622      5.53329        -0.375194      0.972003     -0.057794
     19.38599      9.15643      5.35676        -0.330466      0.116728     -0.343484
      0.72409     10.13129      9.06456         0.033611     -0.020618      0.192494
     13.82661     17.55470      5.28505        -0.004813      0.066554      0.189057
     15.76171     16.62363      5.58281        -0.264100     -0.059837     -0.059679
     14.61596     16.33604      3.71295         0.115206     -0.181711      0.277730
     11.98145     15.32156     11.38252        -0.056818      0.157376      0.352049
     11.42629     14.58288      9.43755         0.157538      0.157990     -0.084366
     13.30962     13.92632     10.38689        -0.000822      0.171066      0.140347
     11.89563     18.10551      7.25060        -0.030426     -0.160297     -0.168124
      9.93556     18.40601      6.39481         0.314797      0.062697     -0.029000
     10.29458     16.79398      7.82754        -0.270087     -0.193394      0.224159
     13.09820     18.39737      0.08602        -0.159669      0.459340     -0.242042
     13.98942     16.96246      1.37838         0.310193     -0.161021      0.528620
     11.87745     16.81535      0.92745        -0.038502     -0.077598     -0.045099
     10.37327      0.32152     18.59113         0.276689      0.131158     -0.121560
     12.47285     -0.21619     18.87296         0.040616     -0.178342      0.058075
     11.42527     20.53014     17.03243         0.308203     -0.324974      0.033542
      8.97857     19.31840      3.58890        -0.302802      0.101684      0.088033
      7.96376     18.65470      1.74762         0.246617      0.303272     -0.037296
      9.94740     17.96253      2.25814        -0.066632      0.053673     -0.128808
      7.99426      0.74964     20.38499        -0.400223      0.053354     -0.133204
      6.18219      1.09626     19.17755        -0.016038     -0.097434     -0.072757
      6.25925     20.76289     20.66867        -0.383586     -0.271929      0.141062
      9.42587      1.02245     13.29972         0.194335      0.051346     -0.108926
     10.70629     21.16459     14.62634         0.526168     -0.368543      0.143396
      8.70084     20.46752     14.19065        -0.188896     -0.099256      0.072924
      7.89813      4.06485      9.83426         0.416312     -0.183611     -0.032071
      9.84844      3.24156     10.40729        -0.098316     -0.119604      0.051936
      8.93993      2.76897      8.48222         0.406272     -0.301704     -0.074042
      6.04050      1.88222     16.08245         0.183209     -0.082247      0.195386
      5.00465      1.57305     14.14840         0.289528     -0.505830      0.111683
      6.76549      0.44960     14.70560        -0.105777      0.570295     -0.198379
      5.52563      4.95361     11.97351        -0.520620      0.000473      0.164252
      3.36028      4.84271     11.87013        -0.045307     -0.423123     -0.280020
      4.43000      3.40075     12.97546         0.027922     -0.164952      0.170076
      7.12021      4.45825      5.14208        -0.028163      0.313193      0.058034
      7.20694      2.92895      6.63198         0.024543      0.020401      0.324618
      5.25744      3.61962      5.94859         0.264589     -0.378167      0.250255
     -0.31517      7.24985      4.50594         0.015843     -0.033604     -0.151483
      1.49289      7.58122      3.44623         0.020828      0.140996     -0.246377
     -0.06877      6.31884      2.60576        -0.537588     -0.375243      0.158836
      3.34820      5.51591      9.76412         0.089637      0.273130      0.085730
      1.89733      4.43398      8.68199         0.230720      0.147194     -0.035108
      3.84316      4.70979      7.78185         0.328709     -0.184543     -0.196978
      5.94334      7.05410      3.46667        -0.122686     -0.101014      0.160265
      4.05739      7.39348      4.58727        -0.030270      0.102366     -0.119989
      5.16247      5.67594      5.02426        -0.158534      0.465937     -0.414844
      0.78772      8.26187     20.34028        -0.580806      0.725326      0.002787
      2.47608      6.93178     -0.56715        -0.966319      0.352840     -0.026508
      0.58525      6.84879      0.60180         0.313243     -0.001995     -0.263541
     19.52902      9.45008     18.79485         0.094069      0.057311     -0.065315
     20.15192     10.38377     16.88896        -0.294800     -0.433446      0.418739
     18.50168      8.96967     16.92232         0.409232     -0.098182      0.336005
      4.83280      7.89631     19.92528         0.068808      0.513157      0.196873
      3.59776      6.60143     18.85576        -0.206716     -0.508829     -0.660021
      4.65725      8.05999     17.68840        -0.408258      0.102371      0.177513
      3.31631     11.47843     14.77218        -0.083267     -0.105806     -0.273788
      2.11916     11.59745     16.58177         0.498290     -0.209952     -0.254117
      3.75151     10.19061     16.45064         0.250429     -0.357887     -0.149960
     17.41750     11.26539     13.07009        -0.035427      0.173929     -0.102202
     19.00409      9.89151     12.51685        -0.203610      0.114972      0.177755
     18.05237      9.76560     14.48090         0.187577     -0.052189      0.250347
     16.39646     14.28040      9.83938         0.089598     -0.111875     -0.146254
     17.96414     14.86441      8.41902         0.102925      0.125372      0.119463
     16.30008     13.70454      7.72347        -0.155136     -0.117698     -0.081027
      1.58795     12.44447     12.66043         0.204354     -0.012630      0.065558
      0.00344     11.08586     12.15891         0.189771      0.104053     -0.310874
      1.24437     11.93356     10.59393        -0.142039      0.213044     -0.169035
      0.99235     15.71237      7.39324         0.065502     -0.141265     -0.162427
     20.75941     15.70646      8.98395         0.360164     -0.040380     -0.046095
      1.12006     14.30348      9.05701         0.198925     -0.269837     -0.237372
     17.05364     15.93729      2.98913         0.155019      0.391852     -0.273507
     18.74896     14.63014      3.28258         0.136806      0.070359     -0.007682
     16.89710     14.37257      4.46684         0.175824      0.139349     -0.005958
 -----------------------------------------------------------------------------------
    total drift:                                0.005837      0.006081      0.002391


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4553.8525853221 eV

  energy  without entropy=    -4554.0030103519  energy(sigma->0) =    -4553.90272700
 
 d Force = 0.2566489E+01[ 0.284E+00, 0.485E+01]  d Energy = 0.2547427E+01 0.191E-01
 d Force = 0.1787776E+04[ 0.177E+04, 0.181E+04]  d Ewald  = 0.1787773E+04 0.287E-02


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -2.547427  1 .order   -2.566489   -4.849319   -0.283659
  (g-gl).g = 0.135E+02      g.g   = 0.137E+02  gl.gl    = 0.182E+02
 g(Force)  = 0.137E+02   g(Stress)= 0.000E+00 ortho     = 0.804E-02
 gamma     =   0.73988
 trial     =   0.35489
 opt step  =   0.37754  (harmonic =   0.37694) maximal distance =0.07308077
 next E    = -4553.861633   (d E  =  -2.55647)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   31(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.5344612E-02  (-0.6401348E+00)
 number of electron    2497.9999898 magnetization 
 augmentation part      162.5779967 magnetization 

  free energy =  -0.455384723223E+04  energy without entropy=  -0.455399778917E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   31(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) :-0.1437877E-01  (-0.1730551E-01)
 number of electron    2497.9999898 magnetization 
 augmentation part      162.5795546 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8474
  0.8474

  free energy =  -0.455386161100E+04  energy without entropy=  -0.455401225740E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   31(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3648
 total energy-change (2. order) : 0.3688935E-03  (-0.3264663E-03)
 number of electron    2497.9999898 magnetization 
 augmentation part      162.5807452 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3680
  1.1531  1.5828

  free energy =  -0.455386124211E+04  energy without entropy=  -0.455401182121E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   31(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) :-0.2190419E-03  (-0.2586690E-03)
 number of electron    2497.9999898 magnetization 
 augmentation part      162.5772446 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2660
  2.1309  0.9210  0.7462

  free energy =  -0.455386146115E+04  energy without entropy=  -0.455401203870E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   31(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) :-0.8238020E-04  (-0.5628592E-04)
 number of electron    2497.9999898 magnetization 
 augmentation part      162.5780504 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3154
  2.3512  1.0046  1.0046  0.9011

  free energy =  -0.455386154353E+04  energy without entropy=  -0.455401211254E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   31(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) : 0.1828998E-04  (-0.3305906E-04)
 number of electron    2497.9999898 magnetization 
 augmentation part      162.5789780 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2797
  2.3871  1.0365  1.0365  0.9692  0.9692

  free energy =  -0.455386152524E+04  energy without entropy=  -0.455401209894E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   31(   7)  ---------------------------------------



 eigenvalue-minimisations  :  2624
 total energy-change (2. order) :-0.3675319E-05  (-0.5477717E-05)
 number of electron    2497.9999898 magnetization 
 augmentation part      162.5789780 magnetization 

  free energy =  -0.455386152892E+04  energy without entropy=  -0.455401210352E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0522       2 -56.2297       3 -56.1328       4 -55.8123       5 -55.8535
       6 -56.3586       7 -58.0739       8 -58.3460       9 -56.3501      10 -56.0676
      11 -56.1022      12 -55.8469      13 -55.7952      14 -56.0063      15 -58.0371
      16 -58.1490      17 -56.3017      18 -54.8884      19 -54.7714      20 -55.1375
      21 -55.6200      22 -55.6209      23 -55.7053      24 -55.6509      25 -55.0430
      26 -54.7691      27 -54.9233      28 -54.9870      29 -60.3830      30 -60.3542
      31 -55.6314      32 -55.8506      33 -55.7679      34 -55.2530      35 -55.5340
      36 -56.0053      37 -57.8686      38 -58.1080      39 -56.1115      40 -55.8448
      41 -55.9827      42 -55.7624      43 -55.7787      44 -55.9305      45 -58.0782
      46 -58.2415      47 -56.4857      48 -55.1211      49 -54.9377      50 -55.2895
      51 -55.8966      52 -55.8272      53 -55.7538      54 -55.7668      55 -55.1267
      56 -54.8124      57 -54.9485      58 -56.3511      59 -60.3898      60 -60.6133
      61 -56.0196      62 -56.1021      63 -55.9859      64 -55.7626      65 -55.8134
      66 -56.2773      67 -57.9961      68 -58.2237      69 -56.3022      70 -56.0093
      71 -56.1359      72 -55.7945      73 -55.7209      74 -55.9828      75 -58.0745
      76 -58.3008      77 -56.4777      78 -55.0399      79 -54.9339      80 -55.3153
      81 -55.7960      82 -55.8297      83 -55.8816      84 -55.9202      85 -55.1343
      86 -55.0128      87 -55.1121      88 -56.4420      89 -60.6940      90 -60.4356
      91 -55.7236      92 -55.8245      93 -55.7303      94 -55.4489      95 -55.5592
      96 -56.0443      97 -57.9039      98 -58.0108      99 -56.1467     100 -55.9365
     101 -56.0571     102 -55.6291     103 -55.6766     104 -55.9503     105 -58.0903
     106 -58.2914     107 -56.5081     108 -55.0890     109 -54.9551     110 -55.3511
     111 -55.8490     112 -55.7794     113 -55.7309     114 -55.8437     115 -55.1815
     116 -54.8777     117 -54.9792     118 -56.4091     119 -60.5000     120 -60.5203
     121 -55.9040     122 -55.9882     123 -55.8666     124 -55.7418     125 -55.7699
     126 -56.1583     127 -58.0125     128 -58.2085     129 -56.0732     130 -55.7656
     131 -55.8756     132 -55.6218     133 -55.5545     134 -55.7921     135 -57.8944
     136 -58.0546     137 -56.3738     138 -54.9922     139 -54.8932     140 -55.2254
     141 -55.7595     142 -55.8788     143 -55.8542     144 -55.8327     145 -55.1605
     146 -55.0015     147 -55.0853     148 -56.4099     149 -60.6107     150 -60.4987
     151 -55.5506     152 -55.6444     153 -55.5127     154 -55.3274     155 -55.4104
     156 -55.8458     157 -57.8317     158 -57.8828     159 -55.8697     160 -55.6505
     161 -55.8175     162 -55.4630     163 -55.5084     164 -55.6952     165 -58.0454
     166 -58.1098     167 -56.4560     168 -55.0836     169 -54.9139     170 -55.3219
     171 -55.9542     172 -55.9465     173 -55.8922     174 -55.7737     175 -55.2408
     176 -54.7242     177 -54.9376     178 -56.3368     179 -60.4491     180 -60.5708
     181 -55.9464     182 -56.1706     183 -56.0168     184 -55.7094     185 -55.7181
     186 -56.2542     187 -58.0013     188 -58.2472     189 -56.2352     190 -55.8861
     191 -56.0054     192 -55.7770     193 -55.6892     194 -55.8986     195 -58.0273
     196 -58.2580     197 -56.4589     198 -54.9503     199 -54.9139     200 -55.3085
     201 -55.8339     202 -55.9423     203 -55.8606     204 -55.8140     205 -55.1902
     206 -55.1275     207 -55.0531     208 -56.4122     209 -60.7196     210 -60.4950
     211 -56.0213     212 -56.1890     213 -55.9961     214 -55.7693     215 -55.7596
     216 -56.2824     217 -58.1417     218 -58.3465     219 -56.1833     220 -55.8682
     221 -55.9679     222 -55.6525     223 -55.5179     224 -55.8247     225 -57.9469
     226 -58.1945     227 -56.4031     228 -54.9308     229 -54.9582     230 -55.1080
     231 -55.6596     232 -55.9433     233 -56.0106     234 -55.6199     235 -55.2376
     236 -55.0584     237 -55.1495     238 -56.4884     239 -60.3061     240 -60.3255
     241 -55.9556     242 -56.0189     243 -55.9063     244 -55.7454     245 -55.7884
     246 -56.2167     247 -57.9987     248 -58.1977     249 -56.2082     250 -55.9013
     251 -56.0190     252 -55.7558     253 -55.7447     254 -55.9301     255 -57.9835
     256 -58.1167     257 -56.3839     258 -55.0758     259 -54.9088     260 -55.1728
     261 -55.7803     262 -55.8353     263 -55.9088     264 -55.9646     265 -55.5077
     266 -54.9434     267 -55.1408     268 -56.4985     269 -60.5788     270 -60.3382
     271 -55.9039     272 -55.9846     273 -55.8173     274 -55.7518     275 -55.7126
     276 -56.0986     277 -58.1255     278 -58.2000     279 -55.8343     280 -55.6679
     281 -55.7382     282 -55.4490     283 -55.3552     284 -55.6644     285 -58.0293
     286 -58.0264     287 -56.5080     288 -55.0399     289 -54.9086     290 -55.3880
     291 -55.8400     292 -55.8049     293 -55.7913     294 -55.7571     295 -55.0791
     296 -54.8116     297 -54.9120     298 -56.3364     299 -60.3592     300 -60.5384
     301 -55.8829     302 -56.0226     303 -55.8793     304 -55.5950     305 -55.6479
     306 -56.1262     307 -58.0503     308 -58.2518     309 -56.1577     310 -55.8340
     311 -55.9706     312 -55.6930     313 -55.6438     314 -55.8690     315 -57.9413
     316 -58.1321     317 -56.3695     318 -54.9344     319 -54.8353     320 -55.1759
     321 -55.7372     322 -55.7838     323 -55.8653     324 -55.8505     325 -55.1380
     326 -55.0490     327 -55.1724     328 -56.4682     329 -60.5280     330 -60.3121
     331 -55.7896     332 -55.8134     333 -55.6774     334 -55.6268     335 -55.6034
     336 -56.0139     337 -57.9436     338 -57.9305     339 -55.8025     340 -55.5275
     341 -55.6576     342 -55.4319     343 -55.4257     344 -55.6264     345 -57.8634
     346 -57.9728     347 -56.3646     348 -54.8746     349 -54.8355     350 -55.2450
     351 -55.7363     352 -55.8030     353 -55.7516     354 -55.6436     355 -55.1408
     356 -54.7288     357 -54.8781     358 -56.3256     359 -60.3180     360 -60.4490
     361 -39.0416     362 -38.7660     363 -38.9196     364 -39.0492     365 -38.9728
     366 -38.6868     367 -38.1160     368 -38.0880     369 -37.9554     370 -38.1392
     371 -38.2055     372 -38.1797     373 -38.7625     374 -38.3030     375 -38.6524
     376 -38.8779     377 -38.8186     378 -38.7162     379 -38.2628     380 -38.1377
     381 -38.1902     382 -38.0285     383 -38.2405     384 -37.9955     385 -38.7999
     386 -38.6986     387 -38.8022     388 -38.8855     389 -38.8408     390 -38.5509
     391 -38.2917     392 -38.1328     393 -38.1300     394 -37.9867     395 -38.1881
     396 -38.2953     397 -38.7550     398 -38.3267     399 -38.6594     400 -38.8421
     401 -38.6237     402 -38.7446     403 -38.3815     404 -38.1542     405 -38.2538
     406 -38.0290     407 -38.0422     408 -37.8823     409 -38.7389     410 -38.7411
     411 -38.9103     412 -38.6647     413 -38.8071     414 -38.5117     415 -38.1614
     416 -38.1804     417 -38.0573     418 -38.0298     419 -38.1735     420 -38.2469
     421 -38.5118     422 -38.1735     423 -38.4562     424 -38.6297     425 -38.4469
     426 -38.6283     427 -38.1813     428 -38.0917     429 -38.3095     430 -38.1456
     431 -38.1831     432 -38.0582     433 -38.7767     434 -38.6520     435 -38.8992
     436 -38.6998     437 -38.9351     438 -38.5747     439 -38.5281     440 -38.1373
     441 -38.1785     442 -38.1386     443 -38.2374     444 -38.1481     445 -38.8547
     446 -38.7888     447 -38.8310     448 -38.7290     449 -38.6632     450 -38.3285
     451 -38.0690     452 -37.8969     453 -38.0144     454 -38.0599     455 -38.0049
     456 -38.0375     457 -38.8734     458 -38.6160     459 -38.8636     460 -38.8533
     461 -38.8441     462 -38.6153     463 -38.4814     464 -38.2783     465 -37.9572
     466 -38.2897     467 -38.1779     468 -38.2586     469 -38.8727     470 -38.7464
     471 -38.7823     472 -38.6764     473 -38.4936     474 -38.3402     475 -38.2208
     476 -38.0496     477 -38.2553     478 -37.9665     479 -38.1758     480 -37.9814
     481 -38.7987     482 -38.6677     483 -38.8128     484 -38.7886     485 -38.8354
     486 -38.6757     487 -38.1733     488 -38.1199     489 -38.0575     490 -38.0149
     491 -38.2066     492 -38.3483     493 -38.8469     494 -38.4574     495 -38.6177
     496 -38.6369     497 -38.4071     498 -38.3841     499 -38.1872     500 -37.9376
     501 -38.1351     502 -38.0289     503 -38.0780     504 -37.9151     505 -38.3238
     506 -41.2407     507 -71.6981     508 -71.6359     509 -71.5452     510 -71.7001
     511 -71.6156     512 -71.6832     513 -71.4638     514 -71.7085     515 -71.6103
     516 -71.4912     517 -71.4050     518 -71.3842     519 -71.5900     520 -71.7348
     521 -71.6333     522 -71.5588     523 -71.6040     524 -71.5267     525 -71.7510
     526 -71.4515     527 -71.6367     528 -71.5537     529 -71.2242     530 -71.4418
     531 -76.9521     532 -76.6421     533 -76.8159     534 -76.5754     535 -76.7117
     536 -76.6026     537 -76.8699     538 -76.6624     539 -76.7679     540 -76.3992
     541 -76.9361     542 -76.6540     543 -76.5981     544 -76.5836     545 -76.9022
     546 -76.6678     547 -76.8474     548 -76.6920     549 -76.6868     550 -76.5149
     551 -76.5329     552 -76.4972     553 -76.8251     554 -77.0194     555 -76.7457
     556 -76.7164     557 -76.9138     558 -76.6740     559 -76.8681     560 -76.7936
     561 -76.8071     562 -76.5945     563 -76.8685     564 -76.5240     565 -76.7223
     566 -76.5861     567 -76.8185     568 -76.7222     569 -76.5656     570 -76.8696
     571 -76.8819     572 -76.6683     573 -76.7623     574 -76.5686     575 -76.5418
     576 -76.5323     577 -76.7098     578 -76.5123     579 -82.5559     580 -82.2561
     581 -82.3338     582 -82.4469     583 -82.2216     584 -82.1891     585 -82.3972
     586 -82.5329     587 -82.6957     588 -82.2695     589 -82.1529     590 -82.3203
     591 -82.5378     592 -82.2205     593 -82.4213     594 -82.7346     595 -82.3691
     596 -82.6993     597 -82.3478     598 -82.4386     599 -82.6392     600 -82.1981
     601 -82.2272     602 -82.5683     603 -82.5824     604 -82.2858     605 -82.7106
     606 -82.6722     607 -82.6719     608 -82.3724     609 -82.5294     610 -82.2563
     611 -82.6704     612 -82.4597     613 -82.3298     614 -82.1397     615 -82.4003
     616 -82.6935     617 -82.4690     618 -82.8975     619 -82.6247     620 -82.9529
     621 -82.1887     622 -82.4488     623 -82.4334     624 -82.4941     625 -82.2871
     626 -82.2032     627 -82.2111     628 -82.2968     629 -82.1483     630 -82.3863
     631 -82.4823     632 -82.3311     633 -82.3440     634 -82.4044     635 -82.6390
     636 -82.2930     637 -82.1786     638 -82.1863     639 -82.0447     640 -82.3404
     641 -82.3276     642 -82.4343     643 -82.5037     644 -82.3845     645 -82.2721
     646 -82.4702     647 -82.5601     648 -82.3317     649 -82.1759     650 -82.1483
 
 
 
 E-fermi :  -1.4127     XC(G=0):  -6.4313     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.4952      2.00000
      2     -29.1594      2.00000
      3     -29.1126      2.00000
      4     -29.0198      2.00000
      5     -28.9993      2.00000
      6     -28.9877      2.00000
      7     -28.9685      2.00000
      8     -28.9384      2.00000
      9     -28.9322      2.00000
     10     -28.9142      2.00000
     11     -28.8815      2.00000
     12     -28.8558      2.00000
     13     -28.8438      2.00000
     14     -28.8343      2.00000
     15     -28.8341      2.00000
     16     -28.8140      2.00000
     17     -28.8032      2.00000
     18     -28.7150      2.00000
     19     -28.6803      2.00000
     20     -28.6113      2.00000
     21     -28.6067      2.00000
     22     -28.5734      2.00000
     23     -28.5526      2.00000
     24     -28.4329      2.00000
     25     -27.3599      2.00000
     26     -26.9703      2.00000
     27     -26.8692      2.00000
     28     -26.7584      2.00000
     29     -26.7401      2.00000
     30     -26.7381      2.00000
     31     -26.7193      2.00000
     32     -26.7009      2.00000
     33     -26.6678      2.00000
     34     -26.6268      2.00000
     35     -26.6044      2.00000
     36     -26.6000      2.00000
     37     -26.5927      2.00000
     38     -26.5876      2.00000
     39     -26.5730      2.00000
     40     -26.5687      2.00000
     41     -26.5584      2.00000
     42     -26.5382      2.00000
     43     -26.5046      2.00000
     44     -26.4826      2.00000
     45     -26.4552      2.00000
     46     -26.4471      2.00000
     47     -26.4400      2.00000
     48     -26.4342      2.00000
     49     -26.4063      2.00000
     50     -26.4005      2.00000
     51     -26.3942      2.00000
     52     -26.3909      2.00000
     53     -26.3832      2.00000
     54     -26.3792      2.00000
     55     -26.3708      2.00000
     56     -26.3676      2.00000
     57     -26.3579      2.00000
     58     -26.3459      2.00000
     59     -26.3256      2.00000
     60     -26.2991      2.00000
     61     -26.2859      2.00000
     62     -26.2796      2.00000
     63     -26.2735      2.00000
     64     -26.2565      2.00000
     65     -26.2553      2.00000
     66     -26.2111      2.00000
     67     -26.2064      2.00000
     68     -26.2040      2.00000
     69     -26.2025      2.00000
     70     -26.1509      2.00000
     71     -26.1412      2.00000
     72     -26.1412      2.00000
     73     -23.7200      2.00000
     74     -23.3297      2.00000
     75     -23.1375      2.00000
     76     -23.1245      2.00000
     77     -23.1185      2.00000
     78     -23.1038      2.00000
     79     -23.1012      2.00000
     80     -23.0958      2.00000
     81     -23.0505      2.00000
     82     -23.0468      2.00000
     83     -23.0264      2.00000
     84     -23.0105      2.00000
     85     -22.9985      2.00000
     86     -22.9942      2.00000
     87     -22.9848      2.00000
     88     -22.9820      2.00000
     89     -22.9614      2.00000
     90     -22.9479      2.00000
     91     -22.9153      2.00000
     92     -22.9121      2.00000
     93     -22.8725      2.00000
     94     -22.8663      2.00000
     95     -22.8290      2.00000
     96     -22.8020      2.00000
     97     -22.6993      2.00000
     98     -22.6770      2.00000
     99     -22.6428      2.00000
    100     -22.6371      2.00000
    101     -22.5854      2.00000
    102     -22.5785      2.00000
    103     -22.5737      2.00000
    104     -22.5698      2.00000
    105     -22.5508      2.00000
    106     -22.5350      2.00000
    107     -22.5340      2.00000
    108     -22.5268      2.00000
    109     -22.5025      2.00000
    110     -22.5022      2.00000
    111     -22.5004      2.00000
    112     -22.4566      2.00000
    113     -22.4322      2.00000
    114     -22.4241      2.00000
    115     -22.4088      2.00000
    116     -22.3541      2.00000
    117     -22.3423      2.00000
    118     -22.3232      2.00000
    119     -22.3074      2.00000
    120     -22.0187      2.00000
    121     -20.5153      2.00000
    122     -20.4564      2.00000
    123     -20.4045      2.00000
    124     -20.3949      2.00000
    125     -20.3809      2.00000
    126     -20.3511      2.00000
    127     -20.3328      2.00000
    128     -20.3205      2.00000
    129     -20.3045      2.00000
    130     -20.2998      2.00000
    131     -20.2956      2.00000
    132     -20.2937      2.00000
    133     -20.2652      2.00000
    134     -20.2061      2.00000
    135     -20.2018      2.00000
    136     -20.1933      2.00000
    137     -20.1810      2.00000
    138     -20.1667      2.00000
    139     -20.1586      2.00000
    140     -20.1533      2.00000
    141     -20.1431      2.00000
    142     -20.1079      2.00000
    143     -20.1061      2.00000
    144     -20.0033      2.00000
    145     -18.6628      2.00000
    146     -18.5943      2.00000
    147     -18.5599      2.00000
    148     -18.5519      2.00000
    149     -18.5255      2.00000
    150     -18.5083      2.00000
    151     -18.4837      2.00000
    152     -18.4792      2.00000
    153     -18.4580      2.00000
    154     -18.4393      2.00000
    155     -18.3825      2.00000
    156     -18.3635      2.00000
    157     -18.3147      2.00000
    158     -18.2812      2.00000
    159     -18.2755      2.00000
    160     -18.2602      2.00000
    161     -18.2508      2.00000
    162     -18.2386      2.00000
    163     -18.1958      2.00000
    164     -18.1801      2.00000
    165     -18.1750      2.00000
    166     -18.1528      2.00000
    167     -18.1238      2.00000
    168     -18.0569      2.00000
    169     -17.9891      2.00000
    170     -17.9567      2.00000
    171     -17.9292      2.00000
    172     -17.9168      2.00000
    173     -17.8637      2.00000
    174     -17.8400      2.00000
    175     -17.8202      2.00000
    176     -17.7950      2.00000
    177     -17.7769      2.00000
    178     -17.7631      2.00000
    179     -17.7417      2.00000
    180     -17.7054      2.00000
    181     -17.6110      2.00000
    182     -17.5713      2.00000
    183     -17.5503      2.00000
    184     -17.5420      2.00000
    185     -17.5371      2.00000
    186     -17.5289      2.00000
    187     -17.5175      2.00000
    188     -17.4882      2.00000
    189     -17.4849      2.00000
    190     -17.4769      2.00000
    191     -17.4608      2.00000
    192     -17.4597      2.00000
    193     -16.7883      2.00000
    194     -16.7660      2.00000
    195     -16.7289      2.00000
    196     -16.6943      2.00000
    197     -16.6539      2.00000
    198     -16.6467      2.00000
    199     -16.6238      2.00000
    200     -16.5792      2.00000
    201     -16.5595      2.00000
    202     -16.5336      2.00000
    203     -16.4942      2.00000
    204     -16.4748      2.00000
    205     -16.2131      2.00000
    206     -16.1808      2.00000
    207     -16.1693      2.00000
    208     -16.1460      2.00000
    209     -16.1106      2.00000
    210     -16.1003      2.00000
    211     -16.0711      2.00000
    212     -16.0186      2.00000
    213     -15.9952      2.00000
    214     -15.9574      2.00000
    215     -15.9313      2.00000
    216     -15.7833      2.00000
    217     -15.7590      2.00000
    218     -15.7053      2.00000
    219     -15.6772      2.00000
    220     -15.6724      2.00000
    221     -15.6373      2.00000
    222     -15.6096      2.00000
    223     -15.5983      2.00000
    224     -15.5813      2.00000
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    226     -15.5538      2.00000
    227     -15.5168      2.00000
    228     -15.5124      2.00000
    229     -15.4900      2.00000
    230     -15.4687      2.00000
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    232     -15.4500      2.00000
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    235     -15.4270      2.00000
    236     -15.4124      2.00000
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    239     -15.3903      2.00000
    240     -15.3792      2.00000
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    266     -15.0824      2.00000
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    270     -14.9988      2.00000
    271     -14.9496      2.00000
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   1537       5.9373      0.00000
   1538       5.9417      0.00000
   1539       5.9642      0.00000
   1540       5.9730      0.00000
   1541       5.9759      0.00000
   1542       5.9841      0.00000
   1543       6.0011      0.00000
   1544       6.0096      0.00000
   1545       6.0178      0.00000
   1546       6.0211      0.00000
   1547       6.0337      0.00000
   1548       6.0379      0.00000
   1549       6.0526      0.00000
   1550       6.0599      0.00000
   1551       6.0691      0.00000
   1552       6.0743      0.00000
   1553       6.0817      0.00000
   1554       6.0904      0.00000
   1555       6.0952      0.00000
   1556       6.0984      0.00000
   1557       6.1114      0.00000
   1558       6.1213      0.00000
   1559       6.1321      0.00000
   1560       6.1362      0.00000
   1561       6.1381      0.00000
   1562       6.1546      0.00000
   1563       6.1574      0.00000
   1564       6.1714      0.00000
   1565       6.1773      0.00000
   1566       6.1804      0.00000
   1567       6.1968      0.00000
   1568       6.2123      0.00000
   1569       6.2157      0.00000
   1570       6.2211      0.00000
   1571       6.2377      0.00000
   1572       6.2497      0.00000
   1573       6.2543      0.00000
   1574       6.2585      0.00000
   1575       6.2821      0.00000
   1576       6.2853      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.089  13.413  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.413  17.833  -0.001   0.002  -0.000   0.002  -0.006   0.001
 -0.001  -0.001  -4.234   0.002   0.000   8.280  -0.004  -0.001
  0.001   0.002   0.002  -4.234   0.001  -0.004   8.280  -0.001
 -0.000  -0.000   0.000   0.001  -4.226  -0.001  -0.001   8.271
  0.002   0.002   8.280  -0.004  -0.001 -18.325   0.006   0.001
 -0.004  -0.006  -0.004   8.280  -0.001   0.006 -18.322   0.001
  0.000   0.001  -0.001  -0.001   8.271   0.001   0.001 -18.315
 total augmentation occupancy for first ion, spin component:           1
  8.470  -3.816   0.168   0.126  -0.065   0.021   0.024  -0.010
 -3.816   1.792  -0.085  -0.086   0.039  -0.009  -0.014   0.006
  0.168  -0.085   1.782  -0.060  -0.031   0.169  -0.011  -0.006
  0.126  -0.086  -0.060   1.906  -0.070  -0.010   0.178  -0.010
 -0.065   0.039  -0.031  -0.070   1.220  -0.006  -0.010   0.080
  0.021  -0.009   0.169  -0.010  -0.006   0.018  -0.002  -0.001
  0.024  -0.014  -0.011   0.178  -0.010  -0.002   0.018  -0.001
 -0.010   0.006  -0.006  -0.010   0.080  -0.001  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -54416.58175107885.85107 32935.87753-12725.70814  6610.10138 24736.65231
  Hartree   848.00904134846.06236 71222.73647-13049.73242  4577.62882 19232.37586
  E(xc)  -10734.39136-10591.69324-10634.21787     2.45012     7.94222    30.52110
  Local   20182.03733************************ 25768.27882-11218.09435-43419.73022
  n-local -5847.30892 -5969.65483 -6025.34982     4.97093    14.56513   -57.13966
  augment  1489.62435  1537.34947  1487.35502     4.42984    13.43553    -1.03398
  Kinetic 45536.22551 43212.65198 43728.89234   -28.27209   -70.64116  -542.62950
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -34.5270842   -433.1817853   -125.7621252    -23.5829276    -65.0624253    -20.9840890
  in kB       -5.7576677    -72.2365301    -20.9718410     -3.9326420    -10.8496802     -3.4992648
  external PRESSURE =     -32.9886796 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.278E+03 -.119E+03 0.250E+03   0.279E+03 0.120E+03 -.251E+03   -.187E+00 -.618E+00 0.131E+01   0.133E-02 -.117E-03 0.844E-03
   -.234E+03 -.143E+03 0.505E+02   0.234E+03 0.144E+03 -.503E+02   -.554E-02 -.136E+01 -.313E+00   0.131E-02 -.426E-03 0.166E-03
   -.198E+03 -.133E+03 0.305E+01   0.198E+03 0.135E+03 -.137E+01   0.448E+00 -.119E+01 -.162E+01   0.130E-02 -.767E-03 -.328E-04
   -.251E+03 -.107E+03 0.351E+03   0.251E+03 0.107E+03 -.354E+03   -.130E-02 -.897E-02 0.233E+01   0.120E-02 -.281E-03 0.767E-03
   -.206E+03 -.156E+03 0.314E+03   0.206E+03 0.157E+03 -.315E+03   0.182E+00 -.735E+00 0.114E+01   0.104E-02 -.319E-03 0.546E-03
   -.181E+03 -.118E+03 0.174E+03   0.181E+03 0.118E+03 -.174E+03   0.135E+00 -.894E-01 0.204E+00   0.116E-02 -.464E-03 0.179E-03
   -.289E+03 -.139E+03 0.188E+03   0.289E+03 0.142E+03 -.190E+03   0.405E+00 -.455E+01 0.878E+00   0.108E-02 0.806E-04 0.116E-02
   -.211E+03 -.118E+03 0.223E+02   0.212E+03 0.122E+03 -.237E+02   -.367E+00 -.416E+01 0.215E+01   0.107E-02 -.530E-03 0.160E-03
   -.132E+03 0.614E+01 0.203E+03   0.132E+03 -.616E+01 -.203E+03   -.499E-01 0.766E-01 0.226E+00   0.114E-02 -.378E-03 0.157E-03
   -.107E+03 0.917E+02 0.678E+02   0.107E+03 -.933E+02 -.668E+02   0.417E+00 0.137E+01 -.118E+01   0.136E-02 0.103E-03 0.400E-03
   -.117E+03 0.120E+03 0.137E+03   0.116E+03 -.121E+03 -.137E+03   0.436E+00 0.980E+00 0.116E-01   0.156E-02 -.714E-06 0.511E-03
   -.133E+03 0.770E+01 0.341E+03   0.134E+03 -.826E+01 -.343E+03   -.118E-01 0.328E+00 0.121E+01   0.860E-03 -.434E-03 0.394E-03
   -.136E+03 -.297E+02 0.376E+03   0.136E+03 0.308E+02 -.378E+03   0.104E+00 -.848E+00 0.232E+01   0.981E-03 -.317E-03 0.606E-03
   -.147E+03 0.408E+02 0.314E+03   0.148E+03 -.409E+02 -.315E+03   -.328E+00 0.247E+00 0.153E+01   0.134E-02 -.258E-03 0.921E-03
   -.145E+03 0.119E+03 0.291E+03   0.144E+03 -.122E+03 -.294E+03   0.757E+00 0.403E+01 0.241E+01   0.124E-02 -.119E-03 0.815E-03
   -.114E+03 0.132E+03 0.106E+03   0.113E+03 -.135E+03 -.109E+03   0.517E+00 0.290E+01 0.345E+01   0.158E-02 0.187E-03 0.353E-03
   -.115E+03 0.124E+03 0.600E+02   0.116E+03 -.119E+03 -.560E+02   -.569E+00 -.458E+01 -.412E+01   0.177E-02 0.207E-03 0.102E-02
   -.417E+02 0.209E+03 -.154E+03   0.409E+02 -.211E+03 0.157E+03   0.794E+00 0.153E+01 -.183E+01   0.197E-02 -.562E-03 0.790E-04
   -.135E+02 0.157E+03 -.209E+03   0.131E+02 -.157E+03 0.211E+03   0.282E+00 0.265E+00 -.212E+01   0.165E-02 0.216E-03 0.234E-03
   -.103E+03 0.126E+03 0.195E+03   0.104E+03 -.125E+03 -.199E+03   -.943E+00 -.551E+00 0.342E+01   0.169E-02 -.601E-04 0.101E-02
   -.368E+02 0.914E+02 -.430E+01   0.355E+02 -.933E+02 0.545E+01   0.128E+01 0.207E+01 -.122E+01   0.141E-02 0.404E-03 0.863E-03
   -.417E+02 0.209E+02 -.152E+03   0.419E+02 -.213E+02 0.152E+03   -.152E+00 0.134E+00 -.106E+01   0.161E-02 0.718E-03 -.227E-04
   -.712E+02 -.280E+02 -.194E+03   0.716E+02 0.283E+02 0.194E+03   -.327E+00 -.366E+00 0.824E+00   0.135E-02 0.442E-03 -.335E-03
   -.579E+02 -.752E+02 -.256E+03   0.589E+02 0.769E+02 0.255E+03   -.114E+01 -.217E+01 0.131E+01   0.816E-03 0.317E-03 -.647E-03
   -.352E+02 -.154E+03 -.366E+03   0.348E+02 0.155E+03 0.368E+03   0.472E+00 -.763E+00 -.190E+01   0.389E-03 0.455E-03 -.659E-03
   -.132E+03 -.171E+03 -.176E+03   0.133E+03 0.171E+03 0.174E+03   -.729E+00 -.452E+00 0.201E+01   0.134E-02 -.241E-03 -.183E-03
   -.106E+03 -.294E+03 -.213E+03   0.106E+03 0.295E+03 0.213E+03   -.480E-01 -.803E+00 0.244E+00   0.860E-03 -.400E-03 -.525E-03
   -.623E+02 -.264E+03 -.321E+03   0.624E+02 0.265E+03 0.321E+03   -.223E+00 -.128E+01 -.661E+00   0.337E-03 -.224E-03 -.792E-03
   -.586E+02 -.245E+02 -.241E+03   0.642E+02 0.325E+02 0.235E+03   -.563E+01 -.833E+01 0.522E+01   0.280E-03 0.575E-03 -.135E-02
   -.435E+02 0.609E+02 0.350E+02   0.393E+02 -.706E+02 -.306E+02   0.472E+01 0.939E+01 -.452E+01   -.374E-03 0.126E-02 0.123E-02
   -.217E+03 -.309E+02 -.459E+02   0.217E+03 0.310E+02 0.476E+02   0.176E-01 -.355E+00 -.160E+01   -.489E-03 -.420E-03 0.431E-04
   -.150E+03 -.156E+03 0.127E+03   0.150E+03 0.157E+03 -.127E+03   0.215E+00 -.149E+01 -.222E+00   -.801E-03 -.529E-03 0.539E-03
   -.171E+03 -.157E+03 0.163E+03   0.171E+03 0.159E+03 -.164E+03   0.245E-01 -.162E+01 0.901E+00   -.870E-03 -.552E-03 0.630E-03
   -.327E+03 0.745E+01 -.167E+03   0.327E+03 -.949E+01 0.170E+03   0.433E+00 0.201E+01 -.284E+01   -.141E-03 -.175E-03 -.691E-03
   -.313E+03 -.721E+02 -.197E+03   0.312E+03 0.723E+02 0.198E+03   0.367E+00 0.859E-02 -.147E+01   -.469E-03 0.318E-03 -.266E-03
   -.239E+03 -.673E+02 -.214E+02   0.239E+03 0.670E+02 0.215E+02   0.333E+00 0.187E+00 -.328E+00   -.745E-03 -.529E-04 0.518E-03
   -.115E+03 -.587E+02 -.981E+01   0.115E+03 0.633E+02 0.125E+02   -.339E+00 -.409E+01 -.281E+01   -.883E-03 -.779E-03 0.456E-03
   -.701E+02 -.149E+03 0.116E+03   0.702E+02 0.152E+03 -.113E+03   -.245E+00 -.313E+01 -.378E+01   -.110E-02 -.881E-03 0.766E-03
   -.208E+03 0.471E+02 -.308E+02   0.208E+03 -.472E+02 0.308E+02   0.118E+00 0.328E+00 -.129E+00   -.815E-03 -.348E-04 0.518E-03
   -.118E+03 0.671E+02 0.175E+03   0.118E+03 -.685E+02 -.177E+03   -.266E-01 0.109E+01 0.190E+01   -.102E-02 0.107E-03 0.872E-03
   -.731E+02 0.875E+02 0.983E+02   0.730E+02 -.890E+02 -.986E+02   0.247E+00 0.151E+01 0.228E+00   -.724E-03 -.327E-04 0.962E-03
   -.234E+03 0.852E+02 -.241E+03   0.233E+03 -.863E+02 0.242E+03   0.133E+00 0.980E+00 -.910E+00   -.496E-03 0.417E-04 -.236E-03
   -.190E+03 0.417E+02 -.313E+03   0.190E+03 -.419E+02 0.315E+03   -.504E-02 0.169E+00 -.212E+01   -.293E-03 -.824E-04 -.397E-03
   -.110E+03 0.646E+02 -.167E+03   0.110E+03 -.654E+02 0.168E+03   0.131E+00 0.103E+01 -.123E+01   -.443E-03 -.311E-03 -.395E-04
   -.513E+02 0.113E+03 -.115E+03   0.508E+02 -.117E+03 0.116E+03   0.409E+00 0.487E+01 -.706E+00   -.392E-03 -.262E-03 0.111E-03
   -.148E+02 0.866E+02 0.130E+03   0.142E+02 -.906E+02 -.129E+03   0.294E+00 0.446E+01 -.221E+01   -.856E-03 -.813E-04 0.174E-02
   0.440E+02 0.619E+02 0.994E+02   -.426E+02 -.562E+02 -.101E+03   -.135E+01 -.569E+01 0.186E+01   -.307E-03 0.107E-02 0.743E-04
   0.121E+02 0.142E+03 0.280E+03   -.112E+02 -.143E+03 -.283E+03   -.770E+00 0.103E+01 0.257E+01   -.333E-03 0.753E-03 0.595E-03
   -.296E+02 0.136E+03 0.244E+03   0.308E+02 -.136E+03 -.246E+03   -.125E+01 -.337E+00 0.163E+01   -.204E-04 0.102E-02 0.449E-03
   0.489E+02 0.827E+02 -.679E+02   -.496E+02 -.829E+02 0.714E+02   0.604E+00 0.467E+00 -.355E+01   -.285E-03 0.716E-03 -.840E-04
   0.120E+02 0.376E+02 0.131E+02   -.113E+02 -.387E+02 -.149E+02   -.847E+00 0.147E+01 0.205E+01   0.103E-03 0.870E-03 0.470E-04
   0.536E+00 0.215E+02 0.889E+02   -.233E+00 -.209E+02 -.896E+02   -.250E+00 -.508E+00 0.103E+01   0.150E-03 0.924E-03 0.372E-03
   -.101E+03 -.846E+01 0.453E+02   0.101E+03 0.846E+01 -.448E+02   0.578E-01 -.261E-02 -.629E+00   0.221E-03 0.565E-03 0.771E-03
   -.216E+03 -.244E+02 0.116E+03   0.215E+03 0.254E+02 -.114E+03   0.475E+00 -.110E+01 -.186E+01   0.151E-03 0.387E-03 0.705E-03
   -.286E+03 -.799E+02 0.185E+03   0.287E+03 0.800E+02 -.188E+03   -.954E+00 -.341E+00 0.341E+01   0.631E-03 -.843E-04 0.800E-03
   -.104E+03 -.133E+03 -.126E+03   0.104E+03 0.132E+03 0.128E+03   0.569E+00 0.620E+00 -.191E+01   0.399E-03 -.434E-03 0.404E-03
   -.145E+03 -.139E+03 -.168E+03   0.145E+03 0.141E+03 0.171E+03   0.320E+00 -.923E+00 -.269E+01   0.707E-03 -.245E-03 0.200E-03
   -.224E+03 -.634E+02 0.382E+02   0.223E+03 0.571E+02 -.364E+02   0.909E+00 0.618E+01 -.193E+01   0.600E-03 -.709E-03 0.816E-03
   -.232E+03 0.885E+01 0.155E+03   0.229E+03 -.240E+01 -.146E+03   0.236E+01 -.622E+01 -.866E+01   -.123E-02 -.185E-03 0.112E-02
   -.540E+02 0.698E+01 -.642E+02   0.570E+02 -.136E+02 0.553E+02   -.267E+01 0.683E+01 0.852E+01   0.106E-02 0.108E-02 -.346E-03
   -.407E+03 -.720E+02 0.823E+02   0.407E+03 0.726E+02 -.837E+02   -.796E-01 -.892E+00 0.138E+01   0.421E-03 0.197E-02 0.103E-02
   -.407E+03 -.102E+03 -.881E+02   0.407E+03 0.103E+03 0.885E+02   -.172E+00 -.152E+01 -.229E+00   0.952E-03 0.119E-02 0.107E-03
   -.363E+03 -.954E+02 -.128E+03   0.363E+03 0.968E+02 0.130E+03   0.681E-01 -.114E+01 -.171E+01   0.128E-02 -.118E-05 0.349E-04
   -.335E+03 -.662E+02 0.169E+03   0.335E+03 0.662E+02 -.172E+03   0.165E+00 -.152E-01 0.209E+01   0.455E-03 0.132E-02 0.882E-03
   -.284E+03 -.117E+03 0.132E+03   0.284E+03 0.118E+03 -.133E+03   0.749E-01 -.744E+00 0.114E+01   0.902E-03 0.857E-03 0.569E-03
   -.302E+03 -.817E+02 0.872E+01   0.302E+03 0.816E+02 -.882E+01   0.277E-01 -.993E-01 0.234E+00   0.135E-02 0.512E-03 -.366E-03
   -.430E+03 -.987E+02 0.190E+02   0.430E+03 0.101E+03 -.219E+02   -.150E-01 -.466E+01 0.739E+00   -.562E-03 0.251E-02 0.250E-02
   -.413E+03 -.848E+02 -.586E+02   0.414E+03 0.886E+02 0.577E+02   -.104E+01 -.413E+01 0.245E+01   0.838E-03 0.117E-02 0.128E-03
   -.248E+03 0.395E+02 0.341E+02   0.249E+03 -.395E+02 -.341E+02   -.441E-01 0.126E+00 0.200E+00   0.136E-02 0.164E-03 -.793E-04
   -.273E+03 0.119E+03 -.611E+02   0.273E+03 -.121E+03 0.623E+02   0.274E+00 0.167E+01 -.119E+01   0.145E-02 0.226E-03 0.164E-03
   -.281E+03 0.139E+03 0.541E+01   0.281E+03 -.140E+03 -.557E+01   0.232E+00 0.143E+01 0.264E+00   0.151E-02 -.758E-04 0.151E-03
   -.196E+03 0.425E+02 0.135E+03   0.197E+03 -.430E+02 -.136E+03   -.112E+00 0.309E+00 0.125E+01   0.106E-02 -.272E-03 0.344E-03
   -.197E+03 -.118E+02 0.148E+03   0.197E+03 0.130E+02 -.150E+03   -.703E-02 -.991E+00 0.251E+01   0.109E-02 -.195E-03 0.426E-03
   -.266E+03 0.446E+02 0.129E+03   0.266E+03 -.449E+02 -.130E+03   -.295E+00 0.356E+00 0.158E+01   0.136E-02 -.179E-03 0.384E-03
   -.288E+03 0.102E+03 0.128E+03   0.288E+03 -.106E+03 -.131E+03   0.396E+00 0.427E+01 0.247E+01   0.113E-02 -.127E-03 -.513E-04
   -.308E+03 0.149E+03 0.713E+02   0.308E+03 -.152E+03 -.745E+02   0.159E+00 0.318E+01 0.371E+01   0.128E-02 -.182E-03 -.461E-04
   -.307E+03 0.107E+03 0.986E+02   0.307E+03 -.102E+03 -.947E+02   0.161E+00 -.474E+01 -.384E+01   0.104E-02 -.254E-03 0.245E-03
   -.186E+03 0.209E+03 0.349E+02   0.186E+03 -.211E+03 -.328E+02   0.520E+00 0.143E+01 -.200E+01   0.502E-03 -.103E-03 -.204E-05
   -.912E+02 0.124E+03 0.604E+02   0.903E+02 -.125E+03 -.584E+02   0.864E+00 0.286E+00 -.214E+01   -.712E-04 0.444E-03 0.486E-03
   -.349E+03 0.841E+02 0.199E+03   0.350E+03 -.830E+02 -.203E+03   -.944E+00 -.610E+00 0.332E+01   0.111E-02 -.450E-03 0.309E-03
   -.290E+03 0.751E+02 0.112E+03   0.290E+03 -.769E+02 -.112E+03   0.595E+00 0.205E+01 -.111E+01   0.243E-03 -.128E-03 0.567E-03
   -.176E+03 0.882E+01 0.882E+02   0.176E+03 -.893E+01 -.877E+02   0.333E+00 0.188E+00 -.639E+00   -.336E-04 0.287E-03 0.661E-03
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   0.914E+03 -.417E+02 -.182E+03   -.959E+03 0.643E+02 0.162E+03   0.449E+02 -.224E+02 0.198E+02   -.176E-02 0.159E-02 -.153E-02
   0.491E+03 0.443E+03 0.408E+02   -.475E+03 -.470E+03 -.803E+02   -.164E+02 0.273E+02 0.397E+02   -.106E-02 0.172E-02 -.347E-02
   0.808E+03 0.318E+03 -.405E+03   -.827E+03 -.353E+03 0.441E+03   0.198E+02 0.344E+02 -.362E+02   -.241E-02 0.940E-03 0.601E-03
   0.431E+03 -.916E+02 -.610E+03   -.460E+03 0.107E+03 0.649E+03   0.287E+02 -.157E+02 -.394E+02   -.624E-03 0.148E-03 -.228E-02
   0.634E+02 -.370E+03 -.550E+02   -.324E+02 0.411E+03 0.401E+02   -.310E+02 -.404E+02 0.150E+02   0.551E-03 0.113E-02 -.304E-02
   0.303E+03 0.155E+03 0.107E+03   -.338E+03 -.159E+03 -.149E+03   0.346E+02 0.348E+01 0.420E+02   0.391E-03 -.118E-03 -.190E-02
   -.260E+03 -.147E+03 -.366E+03   0.300E+03 0.154E+03 0.402E+03   -.395E+02 -.647E+01 -.357E+02   0.129E-02 0.118E-02 -.308E-02
   0.282E+03 0.336E+03 -.183E+03   -.304E+03 -.381E+03 0.200E+03   0.219E+02 0.450E+02 -.173E+02   0.217E-02 -.205E-02 -.402E-02
   -.910E+02 0.848E+01 0.126E+03   0.116E+03 -.214E+02 -.171E+03   -.252E+02 0.131E+02 0.449E+02   -.865E-04 0.747E-03 -.407E-02
   -.298E+03 -.413E+03 0.416E+03   0.327E+03 0.444E+03 -.446E+03   -.283E+02 -.311E+02 0.304E+02   -.271E-02 -.184E-02 -.327E-02
   0.174E+03 -.501E+03 -.982E+02   -.202E+03 0.530E+03 0.130E+03   0.284E+02 -.297E+02 -.318E+02   -.114E-02 -.353E-03 -.302E-02
   -.276E+03 -.123E+03 -.181E+02   0.311E+03 0.100E+03 0.526E+02   -.347E+02 0.221E+02 -.348E+02   -.160E-02 -.158E-02 -.326E-02
   -.264E+02 -.122E+03 0.861E+03   -.356E+01 0.146E+03 -.902E+03   0.301E+02 -.234E+02 0.403E+02   0.177E-02 0.165E-02 0.262E-02
   -.228E+03 0.197E+03 0.664E+03   0.265E+03 -.223E+03 -.690E+03   -.364E+02 0.253E+02 0.261E+02   0.165E-02 0.367E-03 0.224E-02
   0.972E+02 0.414E+03 0.297E+03   -.130E+03 -.447E+03 -.279E+03   0.328E+02 0.334E+02 -.182E+02   0.130E-02 0.943E-03 0.222E-02
 -----------------------------------------------------------------------------------------------
   -.200E+01 0.216E+01 0.156E+02   -.927E-11 -.273E-11 -.836E-11   0.201E+01 -.215E+01 -.156E+02   -.183E-02 -.117E-02 0.226E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.92418      3.16030      1.41701        -0.027908     -0.009528     -0.173687
     12.73144      3.58836      2.72783        -0.024070     -0.089734     -0.044558
     12.67789      4.95993      3.04375         0.107546      0.302326      0.061264
     12.94902      4.07690      0.37365         0.107178     -0.156988     -0.200577
     12.91335      5.43735      0.66970         0.002192      0.248304      0.128795
     12.82216      5.93788      1.99995         0.070878     -0.119556      0.056302
     13.01042      1.67742      1.36822         0.379921     -0.689009     -0.721697
     12.54090      2.34768      3.56143        -0.026438     -0.345439      0.669787
     12.92233      7.43594      2.23339         0.002138      0.058873      0.207548
     12.86977      8.04442      3.52928         0.075477     -0.227601     -0.097960
     13.17591      9.40998      3.66772         0.099250     -0.125222      0.015025
     13.15255      8.31766      1.13601         0.128656     -0.228639      0.040000
     13.36180      9.68852      1.28003         0.193929      0.290584     -0.082412
     13.41606     10.22038      2.56376        -0.104872      0.129743     -0.016741
     13.63460     11.62432      3.01509         0.342316      1.276080     -0.837561
     13.33115     10.25750      4.89332         0.018542     -0.047742      0.449818
     13.71142     12.74776      5.29819         0.023376      0.431769     -0.043223
     13.37733     12.67835      6.64842         0.015695     -0.062158      0.337599
     13.41245     13.78147      7.49748        -0.163555      0.031847     -0.042247
     14.00621     14.04067      4.83967         0.093312      0.416695      0.022062
     14.01489     15.14933      5.72279        -0.031853      0.133169     -0.063881
     13.75296     15.09768      7.14148        -0.039853     -0.237869     -0.326410
     13.78225     16.23427      8.17739         0.053072     -0.026117      0.267594
     13.24510     16.19604      9.52014        -0.091516     -0.430350      0.214920
     13.35648     17.28184     10.41683        -0.004960     -0.319104      0.011927
     14.34380     17.50253      7.89435         0.117729     -0.160126      0.074192
     14.37629     18.59604      8.75289         0.145673      0.088379     -0.086445
     13.92579     18.49538     10.05729        -0.108894     -0.101631     -0.028670
     12.50306     15.02845     10.16084        -0.032361     -0.323081     -0.137860
     14.50303     16.40179      5.06428         0.519064     -0.277660     -0.080539
      9.66222      3.86297      4.80032         0.068718     -0.256125      0.054192
      9.78467      4.79868      3.78576         0.064158     -0.132707     -0.014684
      9.95134      6.15164      4.10167        -0.028012      0.354077     -0.003916
      9.65777      4.22716      6.13224         0.100985     -0.021627      0.203833
      9.73079      5.57496      6.46505         0.148345      0.167663     -0.163408
      9.90940      6.57508      5.46897         0.010096     -0.140038     -0.269425
      9.49551      2.49869      4.24918         0.121455      0.436191     -0.150886
      9.75458      4.04688      2.48693        -0.106335      0.271374     -0.694673
     10.02532      8.01689      5.85216        -0.012516      0.187331     -0.177443
     10.23891      9.02480      4.86489        -0.146013     -0.319658      0.029450
     10.28590     10.35858      5.24882         0.120470     -0.005373     -0.080273
      9.89652      8.44230      7.20159         0.077993     -0.080018      0.041632
      9.99323      9.78924      7.57536        -0.030340      0.028390      0.342722
     10.17500     10.73869      6.58065         0.125030      0.285922      0.141678
     10.30778     12.21594      6.67523        -0.098878      0.768180      1.005647
     10.49370     11.58131      4.43212        -0.242486      0.471634     -1.017311
     10.82209     14.06876      4.99423         0.060485      0.057588      0.122062
     11.31811     14.41937      3.73719         0.177957     -0.298318     -0.076507
     11.72306     15.71579      3.45043        -0.067102      0.060346     -0.111865
     10.79706     15.11991      5.92351        -0.080937      0.245579     -0.021141
     11.09118     16.46003      5.57311        -0.117988      0.420945      0.286405
     11.57600     16.85042      4.26006         0.052538      0.025639      0.253470
     12.03027     18.24230      3.75470         0.001355      0.000792     -0.157470
     12.52533     18.63985      2.44470         0.054547     -0.191390     -0.280885
     12.71219     20.00230      2.10657         0.234615     -0.205434      0.066792
     11.93455     19.34617      4.61840        -0.087639      0.097994     -0.129761
     12.15978     20.67996      4.30453        -0.183973      0.216052      0.160003
     12.54598     21.06044      3.02486         0.010466     -0.041314     -0.146566
     12.86535     17.71037      1.23411         0.026212      0.228966      0.278535
     10.81711     17.41581      6.74786         0.342952      0.212178     -0.365350
     10.24327      7.14067     14.61438         0.059699     -0.329743     -0.029305
     10.13298      7.57398     15.93140        -0.046063     -0.090921      0.161312
     10.12368      8.94768     16.25446        -0.065843      0.223981      0.114341
     10.25140      8.07818     13.58368         0.125466      0.047619     -0.331560
     10.26205      9.45003     13.88132        -0.050768      0.097045      0.176929
     10.23794      9.94469     15.22159         0.008694     -0.238624      0.139465
     10.22986      5.63791     14.59211         0.702354     -2.002230     -2.198330
      9.89010      6.34368     16.77755        -0.279489     -0.365483      1.620028
     10.30529     11.44633     15.50254         0.102583      0.097591      0.190998
     10.23968     12.01416     16.82007         0.174171     -0.122512      0.020024
     10.44645     13.40050     17.00687         0.118857      0.031280      0.097229
     10.48738     12.37609     14.43195         0.083144     -0.199716      0.016665
     10.64234     13.75211     14.62297         0.123630      0.208165     -0.026126
     10.65444     14.25183     15.92361        -0.081546      0.041364     -0.008782
     10.77322     15.66286     16.39461         0.241722      0.895027     -0.465020
     10.45691     14.26560     18.25324         0.103357      0.006550      0.483268
     10.61838     16.83807     18.64111         0.083161      0.318054      0.117937
     10.19597     16.79309     19.97009        -0.112074     -0.274093      0.067567
     10.00107     17.93363     20.74682        -0.046978      0.062759     -0.198294
     10.89240     18.14448     18.17337         0.148260      0.461103      0.140487
     10.83696     19.27785     19.03370         0.008193      0.322969     -0.170914
     10.34542     19.25263     20.40047         0.159029      0.085177     -0.161794
     10.16390     20.42404      0.14915        -0.003201     -0.245820      0.383978
      9.65982     20.33607      1.51307         0.038187     -0.044324      0.261495
      9.55493      0.20544      2.36537        -0.193123     -0.193213      0.071680
     10.52238      0.50829     21.13382         0.293999     -0.127729     -0.137630
     10.21709      1.64205      0.62645         0.096462      0.009497     -0.058986
      9.73855      1.53117      1.92709        -0.087205     -0.255416      0.091831
      9.17989     19.09012      2.26146        -0.606485     -0.177542     -0.343462
     11.27335     20.58400     18.38365         0.356940     -0.406302      0.034983
      7.02258      7.64865     17.52012         0.259183     -0.071415      0.121364
      7.10170      8.60105     16.50741         0.377821     -0.164356      0.115374
      7.29210      9.95393     16.81698         0.024250      0.220272      0.082675
      7.10272      8.01534     18.86256         0.120992     -0.124748     -0.092495
      7.14037      9.37281     19.18014         0.232207      0.216761     -0.136890
      7.25214     10.38746     18.17871        -0.060172     -0.031938     -0.202987
      6.81338      6.30172     16.93378        -0.022679     -0.767233      0.162664
      7.07140      7.86528     15.20021        -0.111847      0.199369     -1.031506
      7.28806     11.85075     18.56119        -0.067200      0.178769     -0.142897
      7.46699     12.92779     17.62591        -0.105871     -0.434182     -0.127215
      7.39776     14.25256     18.06838         0.026166      0.153254      0.028705
      7.10201     12.21721     19.91762         0.128316     -0.189183     -0.163515
      7.10093     13.54475     20.35116         0.022864      0.024260      0.197840
      7.21202     14.56263     19.41529         0.047691      0.097442      0.065838
      7.22791     16.03733     19.60016        -0.167120      0.827310      1.015295
      7.57961     15.54694     17.33942        -0.140941      0.474235     -0.985907
      7.64130     18.02373     18.06391        -0.009510      0.072575     -0.020899
      8.29883     18.44724     16.90991         0.192677     -0.379939     -0.076255
      8.63847     19.77167     16.71337        -0.060590      0.341300     -0.148336
      7.35190     19.05254     18.98083        -0.171659      0.056428      0.031055
      7.50378     20.41628     18.63899        -0.078971      0.571286      0.026313
      8.18030     20.87791     17.44193        -0.048996     -0.075794      0.331321
      8.60826      1.03411     16.98975         0.139534     -0.251010     -0.348300
      9.10930      1.34801     15.67357        -0.032537     -0.138864     -0.297103
      9.47962      2.69421     15.33323         0.152821     -0.120801      0.147798
      8.64036      2.15505     17.85589        -0.158253     -0.219240      0.159039
      9.03206      3.44871     17.53121         0.214098      0.442581      0.279955
      9.49017      3.78360     16.25049         0.042478     -0.331391     -0.189775
      9.41946      0.31565     14.46833         0.577255      1.883729      0.349388
      6.97687      0.11122     19.69777         0.326210      0.169672     -0.190552
      6.98215     10.86326      6.11768         0.000861     -0.146513     -0.137254
      6.80977     11.32805      7.41613        -0.011401     -0.157200      0.081426
      6.93206     12.68163      7.73588         0.019309      0.498838      0.008780
      7.32424     11.73390      5.09446        -0.056424      0.022335     -0.188581
      7.45553     13.09236      5.39560        -0.119227      0.231620      0.104476
      7.24451     13.62478      6.70229        -0.164449     -0.070366      0.080352
      6.90541      9.37845      6.10156         0.071951     -0.124158     -0.130251
      6.62224     10.12745      8.29131         0.055322     -0.265715      0.558923
      7.34548     15.11998      6.93270        -0.171620      0.096896      0.178446
      7.10643     15.75845      8.19189        -0.074326     -0.305621     -0.074452
      7.22310     17.15734      8.30252         0.015746      0.062540      0.131991
      7.68776     15.97529      5.84350        -0.141710     -0.130251      0.168578
      7.71325     17.36377      5.95261        -0.043819      0.152466     -0.024372
      7.48939     17.95714      7.20229         0.024205      0.120938     -0.198600
      7.70677     19.37943      7.64842        -0.025201      0.259241     -0.242785
      7.24024     18.04848      9.51194        -0.060506     -0.080686      0.867123
      7.58361     20.58358      9.90096         0.105469      0.125899     -0.025002
      7.11711     20.55636     11.21380        -0.091498     -0.134665      0.234308
      6.94104      0.44620     11.98409         0.042414      0.161583      0.352109
      7.97265      0.60592      9.46999         0.007117      0.272654      0.334687
      8.00926      1.70849     10.38405         0.008001      0.306830      0.022422
      7.47090      1.73131     11.72770         0.098535      0.171009     -0.343696
      7.40258      2.94677     12.77240         0.289027     -0.113014     -0.557507
      6.90365      2.91054     14.10566        -0.648460     -0.435317      0.816427
      6.75035      4.02877     14.97041         0.095635     -0.026364      0.235543
      7.84247      4.27525     12.51985         0.259248     -0.043344     -0.074539
      7.64395      5.41604     13.32144        -0.017466     -0.180539     -0.380371
      7.06515      5.34737     14.58822         0.060677     -0.286900      0.043641
      6.21006      1.71999     14.74181         0.628851     -0.578940      0.067343
      8.65704      2.91936      9.79349         0.466950      0.157258      0.120815
      4.04034     11.49933     10.76024         0.154893     -0.009709      0.141380
      3.76705     12.37580      9.71484         0.141023      0.016884     -0.087434
      3.82447     13.75867      9.88708         0.123593      0.171330      0.029552
      4.38007     11.97980     12.02134         0.156189     -0.116464      0.090606
      4.43822     13.36631     12.21408         0.042169      0.092733     -0.148351
      4.17295     14.29496     11.16117         0.052468     -0.153813     -0.136057
      3.85075     10.10415     10.30506         0.048325     -0.587428      0.248681
      3.39805     11.56397      8.51887        -0.061423      0.121163     -0.507387
      4.27301     15.77872     11.37617         0.016126      0.287538     -0.207641
      4.08387     16.72866     10.31598         0.001254     -0.429585      0.111951
      4.13947     18.10074     10.59677        -0.038034      0.127009     -0.308109
      4.62227     16.28966     12.65250         0.067342     -0.111759      0.094271
      4.76187     17.65746     12.88880        -0.010538      0.023020     -0.011739
      4.41516     18.54524     11.87524         0.253320      0.405469      0.397796
      4.36120     20.04410     11.92194        -0.162839     -2.699670     -3.490339
      4.16397     19.32590      9.70861        -0.194252      0.170242      0.910828
      4.45576      0.63534     10.15577         0.052683     -0.153587      0.087959
      4.82230      0.95933      8.85059        -0.051708     -0.088091     -0.220290
      5.19792      2.25296      8.48302         0.085840      0.191894     -0.106818
      4.42596      1.75587     11.01723        -0.146401     -0.004585     -0.118334
      4.74044      3.08958     10.61069        -0.007621      0.437991      0.422281
      5.29212      3.40969      9.28647        -0.043512     -0.040272      0.665793
      5.89482      4.79357      8.73002         0.164998     -0.052554     -0.301000
      6.41662      5.12398      7.40503        -0.039415     -0.454211     -0.006026
      6.66562      6.46223      6.97851         0.114064     -0.310895      0.198412
      5.85390      5.95685      9.51032         0.144615      0.024862      0.149706
      6.15802      7.25971      9.13573        -0.037526     -0.149972      0.158999
      6.51833      7.57369      7.83613         0.062052     -0.004486     -0.157475
      6.52695      4.06157      6.29487        -0.344011     -0.173242      0.247879
      4.49971      4.06285     11.81581         0.179138      0.185378     -0.493576
      1.11945     14.33010      0.79351        -0.077354     -0.012444     -0.363263
      1.71340     14.75787      1.97732        -0.008607     -0.168145      0.256239
      1.68944     16.13235      2.32304        -0.076437      0.117733      0.070216
      0.68548     15.22575     21.07623        -0.064243     -0.236892      0.062622
      0.74655     16.57610      0.11397        -0.236468      0.239957     -0.012562
      1.13852     17.08026      1.38518         0.120180     -0.169605      0.023659
      1.12858     12.85812      0.69870        -0.352107     -0.335209     -0.012348
      2.33755     13.49672      2.59384         0.599934     -0.543205      1.148807
      1.00029     18.57407      1.58618         0.005477      0.271290      0.024517
      1.36650     19.26809      2.77991         0.011892     -0.377154      0.001604
      1.19021     20.65518      2.84429        -0.001607      0.136451     -0.043374
      0.51421     19.38458      0.50349        -0.020406     -0.216736      0.071659
      0.34935     20.76571      0.58626        -0.152392      0.113549     -0.189047
      0.66685      0.12914      1.78076        -0.006030      0.055550     -0.016965
      0.67134      1.58218      2.09407        -0.294273      0.056243     -0.494202
      1.60447      0.37554      3.89085         0.296193     -0.076072      0.470203
      1.44008      2.94341      4.04733        -0.142150      0.203541     -0.195011
      1.99772      2.95114      5.30507         0.075279     -0.009944      0.413676
      2.13880      4.10341      6.05084        -0.106447      0.330533     -0.297864
      1.03811      4.20940      3.57820        -0.070102      0.255725      0.182454
      1.21794      5.38417      4.35524        -0.048773      0.056680      0.043743
      1.84018      5.43623      5.65560        -0.158422      0.039741     -0.283192
      2.17259      6.70758      6.49635         0.067987      0.005792      0.042722
      2.67450      6.66422      7.82410         0.206930     -0.388705      0.419116
      3.17205      7.74826      8.58042        -0.034838     -0.001731      0.008554
      2.13046      8.07544      6.09115        -0.291687     -0.082748     -0.314796
      2.58247      9.18004      6.82166        -0.209134     -0.176599     -0.392691
      3.10967      9.06695      8.10643         0.144625     -0.412661      0.176339
      2.92561      5.35707      8.51066        -0.793305      0.367258      0.060599
      0.60334      6.60400      3.72809        -0.595518     -0.188533      0.215891
      4.69592     14.09059      0.68429        -0.041416     -0.040021      0.174482
      4.03202     15.00659     -0.13440        -0.060260     -0.314297      0.089274
      4.00605     16.38408      0.22028         0.004530      0.084500     -0.118174
      5.39676     14.53344      1.81124         0.026600     -0.411481     -0.111352
      5.41906     15.88621      2.12741        -0.018796      0.414485     -0.012433
      4.70672     16.87397      1.37838         0.045453      0.142023     -0.056340
      4.53899     12.69232      0.17312         0.136007     -0.660419      0.109206
      3.42055     14.16813     19.99198        -0.472146      0.195494     -1.080061
      4.76413     18.35455      1.84328        -0.018873      0.213170      0.021441
      4.09367     19.46127      1.21253        -0.001048     -0.107873     -0.130751
      4.24656     20.78752      1.69679         0.091030      0.077933     -0.054696
      5.56126     18.71203      2.98239        -0.082632     -0.239384     -0.101819
      5.71495     20.02079      3.45504         0.004455      0.248349      0.036855
      5.04855     21.06092      2.80310         0.128422     -0.200269      0.074276
      5.08797      1.27217      3.08560         0.055918     -0.078763     -0.006087
      3.72517      0.87253      1.21401        -0.247715      0.219612     -0.477987
      3.94400      3.31571      2.10100         0.078243      0.489376     -0.027328
      3.07828      3.90392      1.17614        -0.385043      0.071930     -0.127660
      2.75287      5.26677      1.17329         0.012800      0.378037     -0.077404
      4.40301      4.25501      3.04454         0.062444      0.289115     -0.154356
      4.15519      5.65963      2.90959         0.047644     -0.216375      0.179280
      3.36088      6.33381      1.93363         0.434627     -0.163651      0.403529
      3.15290      7.99315      1.89317        -0.122415      0.081691     -0.668290
      2.20154      8.59910      1.00384         0.138807     -0.054817     -0.179253
      1.90343      9.97338      0.86925         0.186225      0.193811      0.306141
      3.71569      9.05274      2.69632         0.341252     -0.741939     -0.028373
      3.34173     10.41086      2.68454         0.024374      0.037414      0.656538
      2.43689     10.95105      1.76890        -0.850598     -0.192344     -0.351849
      1.50771      7.68870      0.04826        -0.195611     -0.187415     -0.046873
      4.81769      6.44336      3.97307         0.396734     -0.008016      0.302854
     18.21244     17.31653     13.46750         0.025273     -0.068229      0.039077
     19.26495     17.80588     14.23805        -0.031983      0.170244      0.139034
     19.52237     19.18082     14.34937        -0.272271      0.246099      0.122568
     17.40527     18.19265     12.75081        -0.298314     -0.015649     -0.088887
     17.61335     19.57035     12.89594         0.159603      0.168951      0.110195
     18.65741     20.12011     13.69902         0.104366     -0.039253      0.204137
     18.18849     15.82993     13.55390        -1.070366     -0.980343     -0.442744
     19.97301     16.63562     14.83955         0.013452     -0.231646      0.472090
     18.78501      0.36649     13.91000         0.169986     -0.002689      0.235839
     19.81833      0.95779     14.71679        -0.159293     -0.535802      0.029298
     19.77269      2.31956     15.04396        -0.065949     -0.058367      0.208910
     17.79404      1.25213     13.40291         0.066535     -0.124739      0.241907
     17.79549      2.62670     13.68615        -0.207373      0.058417     -0.006435
     18.78570      3.14787     14.52456        -0.179268      0.276042     -0.077501
     18.99275      4.54183     15.04309        -0.436834      0.565131     -0.118528
     20.57253      3.13029     16.03223         0.489598     -0.025740      0.585620
     20.65225      5.63590     16.65211         0.151666     -0.176566     -0.153759
      0.69687      5.59569     17.13739         0.627662      0.556539      0.157771
      1.38102      6.77779     17.46894        -1.034145      0.210800      0.271346
     20.08822      6.91254     16.67517        -0.644738      0.322092     -0.312632
     20.70804      8.02758     17.29938        -0.504939      0.588832      0.076056
      0.81327      8.05342     17.74042         0.423051     -0.403862     -0.138869
      1.69426      9.21446     18.37219         0.036109     -0.573537     -0.092116
      3.02361      9.10924     18.95175        -0.000342      0.378277      0.500842
      3.66857     10.22214     19.63241         0.035815     -0.291700     -0.474232
      1.17989     10.49669     18.57629        -0.334061      0.282919      0.159692
      1.86315     11.61824     19.06026        -0.357755     -0.068682      0.023046
      3.12252     11.54121     19.62142         0.405042     -0.031084      0.157175
      3.95649      7.89513     18.86918         0.573420      0.433971      0.180995
     19.74364      9.19089     17.46460        -0.590990      0.137506     -0.019025
      2.05122     18.17570     14.10079        -0.413915     -0.221370      0.143378
      1.27655     19.12334     13.44275         0.019135      0.061042     -0.211321
      1.37484     20.48124     13.76216        -0.002625     -0.035936     -0.133993
      2.99913     18.55089     15.04694         0.113808     -0.168266      0.065327
      3.19838     19.91029     15.27621        -0.207842      0.320876     -0.116044
      2.34618     20.91145     14.71507        -0.445437     -0.011432     -0.290960
      1.70022     16.83835     13.58766         0.755058     -1.525564      0.365072
      0.44573     18.40193     12.41281        -0.311744      0.485262     -0.360110
      2.49967      1.11016     15.01478        -0.452833      0.460817     -0.293800
      1.77221      2.12407     14.29022         0.022196     -0.788945     -0.102666
      2.08406      3.46469     14.48211        -0.210476      0.267163      0.062140
      3.43026      1.55272     15.97068        -0.073857      0.138224      0.173057
      3.73161      2.91635     16.14859        -0.161504      0.067689      0.147690
      3.08573      3.85053     15.35755         0.215777      0.577619      0.658390
      3.21545      5.36097     15.36696        -1.769665     -1.624255     -1.141356
      1.42814      4.70417     14.00503        -1.923677      0.675656     -1.209869
      1.63773      7.23665     14.54811         0.022957     -0.047111      0.236511
      0.35372      7.55173     14.07750         0.043796     -0.227350      0.076058
     21.06881      8.83218     14.15427         0.032806     -0.174397     -0.100661
      2.29049      8.33827     15.15384         0.205187      0.441194     -0.074980
      1.75460      9.65977     15.14480         0.275157      0.335326      0.144465
      0.43040      9.99224     14.63936         0.126358      0.126238      0.171413
     20.91546     11.34397     14.64667        -0.139280     -0.045099     -0.325248
     19.57005     11.64834     14.14882        -0.245739     -0.179105     -0.131056
     19.08267     12.97255     14.04559        -0.125910     -0.407807      0.098131
      0.30471     12.53287     15.01597        -0.045840      0.190733     -0.072079
     -0.22344     13.81802     15.05442        -0.010806      0.235041     -0.132301
     19.77212     14.09525     14.54323        -0.287625     -0.171155     -0.059488
     18.52819     10.65653     13.56517         0.224213     -0.119380      0.056573
      2.72167     10.69389     15.74029        -0.365817      0.357279     -0.279947
     16.09899      0.41801      5.19657         0.043437     -0.086190     -0.072557
     16.91483      0.88548      6.22382        -0.013005     -0.141414      0.119239
     17.00636      2.25334      6.51120         0.009418      0.320635      0.168605
     15.28776      1.29529      4.49972        -0.103162     -0.034410     -0.170392
     15.33925      2.65898      4.80234         0.121985      0.160711      0.138886
     16.21993      3.19823      5.77288         0.086488     -0.079161      0.195575
     16.35474     20.23162      4.95427        -0.217328     -0.555001     -0.545765
     17.61072     20.94561      6.80284         0.484036     -0.285049      0.521461
     16.27613      4.69960      5.99797         0.103439      0.116574      0.264977
     17.14626      5.31925      6.95118        -0.158474     -0.310898      0.037703
     17.09214      6.70596      7.16330        -0.040494     -0.040803      0.222710
     15.40332      5.57783      5.29017         0.088590     -0.183678      0.056732
     15.39130      6.96187      5.48733        -0.103598      0.112128     -0.098553
     16.25709      7.52711      6.41781        -0.191934      0.091833     -0.028794
     16.41839      8.94795      6.85420        -0.242959      0.332092     -0.241188
     17.71137      7.56141      8.23130         0.125637     -0.048526      0.459052
     17.79539     10.11322      8.62439        -0.100532      0.026822      0.061841
     18.82194     10.00856      9.54764         0.232699     -0.028938      0.233129
     19.41278     11.12447     10.13053         0.082224      0.069650     -0.010505
     17.35854     11.43104      8.38506         0.102010      0.300011      0.242166
     17.86862     12.53555      9.11944        -0.073085      0.381103     -0.104579
     18.97303     12.45985     10.06075        -0.073007      0.080263     -0.202111
     19.73067     13.59853     10.81767         0.315433     -0.342269      0.163775
     20.98192     13.48182     11.55780         0.220805      0.231209      0.088317
      0.39252     14.60549     12.12171         0.125209     -0.453874     -0.269757
     19.28785     14.93988     10.84925        -0.134439     -0.172848      0.133816
     19.98696     16.05882     11.32078         0.009270     -0.019812      0.164260
     21.22124     15.93215     11.96234         0.092436     -0.591619      0.221954
      0.59819     12.24500     11.74832         0.116503      0.095149     -0.113510
     17.15067     13.82873      8.77016        -0.230711     -0.052154      0.342703
     20.36691      1.29257      6.12360         0.041958      0.154801     -0.092826
     19.81847      2.35150      5.38577        -0.109523      0.090315      0.075888
     19.84906      3.65577      5.83648         0.048336      0.070155      0.320955
     20.88499      1.52441      7.38976         0.187057     -0.095341      0.340914
     20.92674      2.84528      7.86269        -0.068763     -0.016149      0.088769
     20.44291      3.94307      7.09632        -0.153066      0.048376     -0.040195
     20.17341      0.04411      5.34585         0.233178     -0.892331      0.142957
     19.09337      1.79319      4.20767        -0.225361      0.237018     -0.247885
     20.55041      5.36382      7.54451        -0.177737      0.426119      0.030537
     20.15728      6.42174      6.68025        -0.053159     -0.399960      0.215407
     20.43845      7.74376      7.02457        -0.456904     -0.023235     -0.304335
     -0.17215      5.73878      8.79690        -0.144682     -0.093492      0.309409
      0.16821      7.06419      9.09819        -0.047786     -0.238875      0.561385
     21.12228      8.05095      8.18037        -0.123497      0.395572      0.242245
      0.08746      9.51604      8.23063        -0.148517     -0.114069     -0.017890
     20.07613      9.02476      6.34455         0.364799     -0.022642      0.546848
     20.41722     11.49770      6.91281         0.131020     -0.171751      0.077948
     19.55286     11.90337      5.89732        -0.112206     -0.106561     -0.088516
     19.21585     13.23107      5.68401         0.096723      0.256922      0.037542
     20.94784     12.54703      7.68530         0.071049      0.434013     -0.099178
     20.66501     13.90360      7.37630         0.378134      0.454804      0.189319
     19.72142     14.36009      6.36380         0.320857      0.011639      0.283565
     19.20349     15.81111      6.08899        -0.035728     -0.004509     -0.167909
     18.32605     16.24891      5.02770         0.048263     -0.244948     -0.351723
     17.80189     17.55931      4.91762         0.242211     -0.084642     -0.038472
     19.47669     16.91433      6.93834         0.093307     -0.080584      0.020085
     18.90610     18.18271      6.89794         0.144247     -0.100397      0.199943
     17.99691     18.54109      5.90946         0.018169     -0.097767     -0.225904
     17.76934     15.32465      3.95535         0.172236     -0.316014     -0.198210
      0.24750     14.87763      8.19211        -0.086155      0.135572     -0.425513
     12.49937      5.27111      4.08910         0.173694     -0.158791     -0.448116
     12.95578      3.73282     20.59412         0.196972      0.039530      0.076523
     12.96214      6.12815     21.07685        -0.076367     -0.173571      0.277104
     12.57488      7.46190      4.42049         0.298408      0.191630     -0.337741
     13.22609      7.93295      0.11695        -0.118957     -0.053000      0.123845
     13.53421     10.33306      0.40827        -0.061535     -0.165449      0.139378
     13.09019     13.55407      8.49160         0.120603     -0.104045      0.239193
     13.02714     11.75385      7.07945         0.151128     -0.310012      0.109426
     14.18290     14.23336      3.76895         0.077043     -0.224848      0.636405
     12.96216     17.14663     11.42753         0.064872      0.109136     -0.193391
     14.71131     17.74351      6.91983         0.270053     -0.183264      0.090245
     14.72295     19.54344      8.33138         0.166236     -0.009678      0.186335
     10.14897      6.87590      3.29412        -0.295176     -0.277431      0.254456
      9.49598      3.46618      6.88770         0.297117      0.210489     -0.196434
      9.60208      5.84458      7.52017         0.216547     -0.013950     -0.243108
     10.38754      8.74880      3.81417        -0.230558      0.203269      0.233645
      9.69458      7.72154      8.00689         0.146431      0.119943     -0.314268
      9.91540     10.09051      8.63303        -0.003625     -0.107817     -0.342780
     12.27441     15.78277      2.53707         0.026978      0.107103     -0.359265
     11.58203     13.66208      3.00785        -0.261109     -0.092944     -0.137490
     10.60372     14.88717      6.96944        -0.250408      0.087255     -0.214338
     12.93814     20.22625      1.06722         0.252429      0.054075      0.219771
     11.64859     19.22749      5.64228        -0.101175     -0.146509      0.064226
     11.90965      0.16517      5.05722         0.248671     -0.004872      0.059341
      9.91907      9.25258     17.29823         0.373748     -0.196520     -0.403805
     10.18376      7.76381     12.53660         0.196989     -0.029763      0.137962
     10.23738     10.14368     13.02146         0.053255     -0.270001      0.447732
      9.98644     11.38299     17.68945         0.326538      0.234860     -0.275831
     10.53765     12.03423     13.39352        -0.042025     -0.087343      0.186109
     10.77485     14.43623     13.77451        -0.030636     -0.210978      0.102799
      9.57494     17.69974      0.44008        -0.136657      0.076162      0.078392
      9.98018     15.84395     20.45054        -0.052154     -0.104685     -0.076040
     11.05765     18.31454     17.10004         0.374777     -0.101292      0.563669
      9.38894      0.05283      3.43808        -0.305276      0.014446     -0.543609
     11.14406      0.76153     20.29191        -0.136491     -0.174602     -0.039146
     10.44310      2.61180      0.19766         0.056837      0.126831     -0.017904
      7.56466     10.65924     16.02129        -0.478520     -0.096731      0.075102
      7.00092      7.26009     19.64921         0.270532      0.136891     -0.199894
      7.04847      9.62647     20.24616         0.220279      0.027782     -0.351165
      7.70424     12.72011     16.57049        -0.327214      0.123166      0.310986
      6.89315     11.45351     20.67780         0.267452      0.221397     -0.262641
      6.95309     13.76342      0.15369         0.317779      0.002064     -0.314273
      9.41608     19.90756     15.99256         0.057297      0.064304     -0.333175
      8.73516     17.72646     16.22807        -0.127720     -0.088454     -0.131310
      7.09561     18.79212     20.00999        -0.415816      0.083812     -0.302151
      9.66619      2.92791     14.29003         0.441234     -0.162577      0.054767
      8.42927      2.03152     18.91250        -0.255267     -0.082038     -0.158000
      8.95906      4.21090     18.31076         0.132381     -0.130557     -0.092049
      6.80862     13.01534      8.77746         0.035158     -0.147808     -0.292573
      7.53495     11.35806      4.08619        -0.122682      0.076299      0.118352
      7.77021     13.74752      4.57216        -0.191360     -0.125565      0.260509
      6.83498     15.16854      9.08156         0.189778      0.181228     -0.227799
      8.02382     15.55025      4.88822        -0.273459      0.110146      0.238930
      8.07039     17.95339      5.10231        -0.333112     -0.034170      0.175584
      6.26073      0.27235     12.79979         0.421553      0.093113      0.310300
      6.79815     19.60429     11.63132        -0.073956      0.039959      0.060497
      8.18684      0.79495      8.41381         0.253232     -0.165648      0.373588
      6.46345      3.86402     16.02382        -0.008683      0.117611     -0.844588
      8.33271      4.53192     11.59913         0.094296     -0.098898      0.017609
      7.89003      6.36001     12.85198         0.186605      0.256153      0.121807
      3.57238     14.42549      9.05219         0.105490     -0.273761      0.163822
      4.57342     11.28455     12.85220        -0.026417      0.252146     -0.320184
      4.68149     13.71316     13.22778        -0.038806      0.001834     -0.336894
      3.91617     16.36020      9.29626        -0.026823      0.283551      0.150609
      4.72489     15.62333     13.52428         0.223860      0.174245     -0.492968
      5.12696     18.01822     13.85347        -0.095135     -0.036382     -0.146406
      5.42990      2.30654      7.44029         0.183117      0.061571     -0.201603
      4.88928      0.19782      8.07981        -0.150021     -0.081422     -0.058684
      4.26443      1.57682     12.08120        -0.377451      0.126047     -0.404440
      6.90308      6.65042      5.93157         0.219879     -0.192538      0.340198
      5.47489      5.93711     10.50528         0.002769     -0.167342      0.176389
      5.99619      8.02739      9.87784         0.086110      0.204034      0.154758
      2.11441     16.47480      3.28547        -0.221850     -0.190688     -0.392978
      0.39163     14.88867     20.07553        -0.112993     -0.010498      0.278518
      0.46816     17.26694     20.56507         0.023981     -0.306588      0.336826
      1.83379     18.74051      3.62893        -0.279294      0.183474     -0.244107
      0.26878     18.95090     20.78609         0.037056      0.018547      0.344973
      0.02000      0.10909     20.98598         0.028527     -0.255064      0.182579
      2.48708      3.81767      7.00561         0.088916      0.126975      0.108325
      2.30528      2.03256      5.78041         0.043277     -0.230149      0.047771
      0.58830      4.31318      2.59284        -0.076028     -0.111901      0.267644
      3.63741      7.56308      9.55335        -0.507862      0.083036     -0.324078
      1.71996      8.37418      5.13523         0.103663     -0.182735      0.108284
      2.48349     10.15194      6.36364        -0.041419      0.279907     -0.141878
      3.38677     17.07161     20.88829         0.331484     -0.118374     -0.032455
      5.95457     13.81305      2.42278        -0.165693      0.113819     -0.034844
      6.04170     16.16390      2.98876        -0.316657      0.049371     -0.212277
      3.42854     19.28770      0.35379         0.299077      0.091185      0.129327
      6.15090     17.95642      3.51889        -0.328598      0.117439     -0.208766
      6.38816     20.24872      4.29524        -0.219144     -0.157030     -0.139745
      1.89230      5.40231      0.55357         0.002571      0.189045     -0.234484
      2.47863      3.28614      0.51253         0.140651     -0.014901     -0.118770
      4.91346      3.91219      3.94132         0.098634      0.107401     -0.404446
      1.29787     10.28885      0.00969        -0.087670     -0.235980      0.611658
      4.44352      8.85717      3.48155        -0.047879      0.075813     -0.545024
      3.73577     11.00995      3.51758         0.077529      0.051725     -0.462143
     20.39118     19.52470     14.92926        -0.398290     -0.147305     -0.010361
     16.61680     17.81475     12.08250         0.129330      0.099961      0.249464
     16.91381     20.22607     12.36504         0.240779     -0.047585      0.048632
     20.63873      0.33059     15.10026        -0.352531      0.240369      0.087262
     16.95004      0.84647     12.82912         0.255805      0.179201      0.069952
     16.97598      3.25104     13.30392         0.285331     -0.017343      0.071600
      2.42738      6.69213     17.39228         0.840686     -0.179465      0.463197
      1.27471      4.68229     17.13526         0.071408     -0.248457     -0.074812
     19.17253      7.08863     16.08831         0.155485     -0.108502      0.697994
      4.61158     10.03339     20.17754        -0.560836      0.093540     -0.481577
      0.15611     10.73503     18.35256        -0.127661     -0.119243     -0.259561
      1.33642     12.55990     18.98982        -0.048918      0.181108      0.075415
      0.72341     21.19417     13.22955         0.304815     -0.254775      0.203559
      3.64094     17.79965     15.53124        -0.239140      0.210682     -0.111785
      4.12231     20.18352     15.79101        -0.321795      0.156122      0.339816
      0.97212      1.83019     13.58819         0.403046      0.298003      0.207941
      4.09194      0.82340     16.46018        -0.590770      0.237777      0.170528
      4.54791      3.22301     16.80380        -0.401446      0.029898      0.195559
     20.05614      8.85960     13.80779        -0.283608      0.101812     -0.025417
     20.94060      6.76480     13.76421         0.026899     -0.153870     -0.365359
      3.19143      8.18958     15.76480        -0.093052      0.021852     -0.680752
     18.16477     13.11347     13.47358         0.056347      0.098054      0.445819
      1.35816     12.56776     15.19144         0.121584     -0.224888      0.059772
      0.45314     14.61846     15.32019         0.033447      0.121615      0.224969
     17.73692      2.59983      7.25560        -0.345285     -0.152104     -0.018377
     14.61785      0.90884      3.72849         0.318639      0.110569      0.123363
     14.66021      3.32411      4.25943         0.375298     -0.133363      0.106870
     17.87252      4.72087      7.51850        -0.350994      0.152107      0.007361
     14.68865      5.18071      4.55997         0.240497      0.032729      0.183530
     14.67273      7.58917      4.95006         0.293505     -0.138245      0.047431
     20.33535     10.85532     10.59815        -0.007851      0.167584      0.355148
     19.24461      9.03655      9.78497        -0.016062     -0.003051      0.029853
     16.64825     11.63763      7.58740        -0.079689     -0.122063      0.264315
      1.30000     14.44127     12.72226        -0.502381      0.036830     -0.537309
     18.32351     15.19320     10.45251        -0.275162     -0.045631     -0.118328
     19.54249     17.02518     11.13983        -0.074820      0.299783      0.006879
     19.35938      4.42941      5.24331         0.107423     -0.083844     -0.036170
     21.21939      0.68548      8.02345        -0.005456      0.330519     -0.263185
      0.11665      3.00343      8.85326        -0.269549      0.042089     -0.284102
     19.70444      6.18059      5.71825        -0.107678      0.227680      0.384476
      0.08420      4.97163      9.53776        -0.415272      0.337821     -0.137298
      0.66765      7.30433     10.04419        -0.159813     -0.024823     -0.112562
     18.47917     13.32174      4.92431        -0.350512      0.209009     -0.323960
     19.05924     11.16366      5.28176         0.003651     -0.059620     -0.139739
      0.30089     12.33615      8.56839         0.022787      0.053223     -0.549375
     17.12287     17.75223      4.08877         0.273281      0.094278      0.123463
     20.14856     16.83026      7.76327         0.166441     -0.130077     -0.009593
     19.20369     18.89240      7.66247        -0.029463      0.019447      0.069250
     13.96851     19.32622     10.76348        -0.033420      0.003421     -0.023398
     18.85820     21.01459      3.70128         0.008773     -0.329721     -0.469878
     12.70208      1.19362      2.67641        -0.114299      0.557301     -0.028128
     13.63215     11.61451      4.43761        -0.356499     -0.843683      0.162315
      9.61452      2.64072      2.81920         0.020875      0.003297     -0.011296
     10.52629     12.71008      5.35232         0.194303     -0.488282     -0.419696
      9.84791      5.16343     15.89621         0.301672      0.700704     -0.160821
     10.67023     15.66159     17.81458        -0.225588     -0.851005      0.006288
      6.91825      6.45773     15.49311         0.238290     -0.080175      0.514836
      7.44417     16.62718     18.31899         0.027125     -0.677101     -0.100690
      6.63968      8.95044      7.43152         0.121777      0.372486     -0.044172
      7.53373     19.40806      9.07313        -0.028340     -0.603259     -0.271461
      3.49402     10.17377      8.90286         0.098891      0.233414      0.291412
      4.23350     20.51039     10.57667         0.017258     -0.007904     -0.377288
      2.03996     12.36772      1.68868        -0.202357     -0.204319      0.038023
      1.24795      1.70708      3.37960         0.038645     -0.170011      0.016106
      3.70918     12.74268     20.26034         0.285200      0.083184      0.636940
      4.20061      1.90593      2.15377         0.220960     -0.640394     -0.204347
     19.28779     15.43282     14.37333         0.358443      0.579391      0.211129
     20.06445      4.49441     15.99630        -0.187807     -0.582027     -0.266219
      0.72477     16.99797     12.55965        -0.515211      0.331842     -0.003081
      2.13170      5.86567     14.57486        -0.751611     -0.374702     -0.549913
     17.34926     19.82022      5.90141        -0.179114      0.432270     -0.021548
     17.34197      8.94629      7.93348        -0.151654     -0.419892      0.024696
     19.37376      0.42513      4.24994         0.172098      0.103863      0.073148
     20.67051     10.10211      7.13412        -0.511157     -0.188692     -0.626602
     12.32265      2.29201      4.77463         0.132797      0.076038     -0.984090
     13.33383      0.97828      0.40034        -0.145710      0.801452      0.847650
     13.22657      9.88999      6.05872        -0.101362      0.193075     -0.753174
     13.77060     12.63486      2.29866        -0.129494     -1.402939      0.835035
      9.82563      4.50808      1.34705        -0.122976     -0.412466      0.745761
      9.32588      1.46503      4.86650        -0.033395     -0.057938      0.088125
     10.55930     11.64480      3.19512        -0.039877      0.059413      1.276702
     10.22890     12.91566      7.69665         0.008626     -0.893753     -1.053237
      9.71252      6.32558     18.00821         0.403601     -0.096992     -1.646407
     10.53402      4.88949     13.61014        -0.626549      1.964905      2.435246
     10.31668     13.90553     19.41772         0.210236      0.213963     -0.769771
     10.91276     16.68095     15.70631        -0.044829     -0.961256      0.302806
      7.14587      8.34004     14.06398        -0.067272     -0.367712      0.839600
      6.60797      5.24497     17.54009         0.196368      1.075646     -0.530356
      7.78921     15.70677     16.13116        -0.308293     -0.166635      1.110402
      7.09220     16.67309     20.66063         0.110447     -0.832512     -1.182947
      6.52957     10.12095      9.51728         0.194695     -0.053259     -0.676524
      7.09933      8.63619      5.14468        -0.072251      0.393971      0.211139
      7.06140     17.70116     10.68085         0.386633      0.271684     -0.871524
      8.00849     20.34415      6.95334        -0.325401     -0.396339      0.261234
      3.08251     11.97774      7.40581         0.186538     -0.233447      0.488090
      3.96441      9.07701     10.97754        -0.153060      0.741409     -0.507962
      4.20120     19.34834      8.50420        -0.085072      0.039511     -1.040396
      4.39788     20.71828     12.88095         0.126960      2.284119      3.311482
      2.98452     13.36655      3.63828        -0.780365      0.330820     -1.237605
      0.41769     12.19481     21.20391         0.291145      0.313509      0.422251
      2.16647      0.12762      4.95363        -0.291357      0.269362     -0.728811
      0.27680      2.50423      1.38087         0.094926     -0.524204      0.392444
      2.82692     14.56416     18.98432         0.610653     -0.381461      1.052294
      5.03966     11.66431      0.65692        -0.500850      1.012150     -0.434640
      3.03885      1.10563      0.22364         0.517231     -0.163873      0.572844
      5.76557      1.84328      3.92672        -0.096846     -0.198670     -0.202421
     -0.32937     16.66790     15.61077        -0.515237     -0.086160     -0.334401
     17.36671     15.05935     13.02973         0.797646      1.049698      0.721097
      0.20734      2.72512     16.77593        -0.798962      0.327801     -0.409828
     18.37225      5.55425     14.71583         0.361669     -0.648244      0.208431
     20.94216     18.89736     11.58456         0.502320     -0.376352      0.365296
      2.19167     15.74968     13.94381        -0.566551      1.369678     -0.148371
      0.38371      4.75697     13.30759         1.982338      0.030556      1.098917
      4.00883      6.03343     15.94911         1.590002      1.147745      0.952697
     18.26429     20.87954      7.84346        -0.484703      0.087776     -0.713336
     15.86196     19.51296      4.07682         0.375300      0.723940      0.676622
     18.32322      7.17615      9.22117        -0.449089      0.243726     -0.412745
     15.87104      9.94843      6.39643         0.490210     -0.516450      0.051946
     18.35307      2.34718      3.39732         0.427627     -0.173291      0.294296
     20.59896     20.15694      5.53293        -0.379326      0.989237     -0.060776
     19.38584      9.15663      5.35714        -0.355770      0.127648     -0.379034
      0.72473     10.13062      9.06288         0.102871      0.061889      0.287165
     13.82826     17.55399      5.28505        -0.004385      0.066900      0.185263
     15.76323     16.62171      5.58305        -0.273206     -0.052929     -0.060466
     14.61754     16.33425      3.71240         0.107087     -0.171400      0.313000
     11.98165     15.32312     11.38330        -0.058109      0.150449      0.351267
     11.42558     14.58309      9.43892         0.170284      0.159112     -0.080515
     13.30921     13.92577     10.38895        -0.013441      0.182441      0.133738
     11.89616     18.10408      7.25105        -0.050065     -0.163562     -0.171550
      9.93519     18.40626      6.39549         0.321881      0.062841     -0.024937
     10.29315     16.79334      7.82748        -0.263739     -0.185474      0.222354
     13.09931     18.39914      0.08590        -0.161047      0.454928     -0.237450
     13.99111     16.96403      1.37795         0.283940     -0.151644      0.526722
     11.87766     16.81683      0.92660        -0.011156     -0.064132     -0.034205
     10.37598      0.32159     18.59035         0.285735      0.123774     -0.128152
     12.47579     -0.21773     18.87387         0.020460     -0.179445      0.051264
     11.42879     20.52789     17.03226         0.301212     -0.313756      0.055790
      8.97609     19.31965      3.58895        -0.300779      0.099205      0.097203
      7.96145     18.65607      1.74775         0.254542      0.300213     -0.036869
      9.94455     17.96125      2.25976        -0.078493      0.078238     -0.131081
      7.99284      0.74942     20.38457        -0.415970      0.049316     -0.136733
      6.17920      1.09521     19.17737        -0.007189     -0.097795     -0.067130
      6.25739     20.76178     20.66845        -0.374007     -0.262910      0.137034
      9.43025      1.02336     13.29989         0.166165      0.067050     -0.142942
     10.70822     21.16685     14.62557         0.543141     -0.395014      0.160800
      8.70354     20.46964     14.18991        -0.235543     -0.170652      0.051507
      7.90108      4.06462      9.83351         0.420266     -0.187271     -0.032427
      9.85141      3.23982     10.40748        -0.118923     -0.118926      0.042699
      8.94268      2.76714      8.48161         0.397923     -0.295148     -0.040179
      6.04020      1.88316     16.08218         0.162254     -0.081325      0.244405
      5.00478      1.57238     14.14876         0.266276     -0.519249      0.112826
      6.76560      0.44840     14.70820        -0.123949      0.580389     -0.202008
      5.52325      4.95384     11.97453        -0.526555      0.000993      0.163746
      3.35748      4.84068     11.87009        -0.038718     -0.425780     -0.270619
      4.42960      3.39909     12.97598         0.019812     -0.140692      0.150553
      7.12157      4.45923      5.14279        -0.025757      0.304127      0.063725
      7.20765      2.92858      6.63223         0.022978      0.025649      0.320147
      5.25815      3.62074      5.94845         0.282898     -0.382783      0.262068
     -0.31781      7.24891      4.50585         0.028719     -0.030871     -0.159088
      1.49064      7.58094      3.44561         0.010666      0.136270     -0.246705
     -0.07131      6.31667      2.60610        -0.528287     -0.363537      0.170142
      3.34654      5.51675      9.76477         0.113887      0.274845      0.128973
      1.89632      4.43448      8.68311         0.230379      0.136498     -0.035076
      3.84201      4.71136      7.78274         0.354982     -0.203253     -0.199491
      5.94514      7.05220      3.46651        -0.131370     -0.094339      0.162347
      4.05812      7.39356      4.58589        -0.024561      0.095493     -0.116559
      5.16339      5.67503      5.02470        -0.185340      0.503473     -0.452568
      0.78381      8.26395     20.34199        -0.575863      0.719998      0.017550
      2.47272      6.93224     -0.57028        -0.982949      0.367386     -0.011215
      0.58476      6.84920      0.60337         0.306707      0.002240     -0.264879
     19.52743      9.44905     18.79700         0.094768      0.061175     -0.076767
     20.14952     10.38301     16.89003        -0.295071     -0.436552      0.427303
     18.49920      8.96814     16.92386         0.433729     -0.088147      0.353527
      4.83340      7.89714     19.92469         0.070205      0.526196      0.207196
      3.60113      6.60036     18.85504        -0.198952     -0.450093     -0.663952
      4.65830      8.06275     17.68836        -0.412820      0.097583      0.177384
      3.31804     11.47780     14.76946        -0.093900     -0.104263     -0.262980
      2.12164     11.59772     16.58104         0.509274     -0.221113     -0.274682
      3.75326     10.18969     16.44748         0.253236     -0.355849     -0.143497
     17.41664     11.26674     13.07049        -0.028847      0.169016     -0.098747
     19.00347      9.89289     12.51623        -0.212856      0.124462      0.207311
     18.05067      9.76640     14.48177         0.206152     -0.031555      0.222428
     16.39409     14.27963      9.83968         0.104117     -0.113599     -0.162057
     17.96266     14.86460      8.41941         0.096974      0.121175      0.120352
     16.29896     13.70348      7.72329        -0.143346     -0.111137     -0.071915
      1.58942     12.44574     12.65887         0.215665     -0.011002      0.080169
      0.00722     11.08434     12.15839         0.189565      0.126256     -0.321139
      1.24597     11.93497     10.59253        -0.150007      0.211276     -0.164258
      0.99474     15.71101      7.39148         0.052554     -0.143825     -0.147956
     20.76158     15.70610      8.98353         0.370184     -0.042050     -0.050931
      1.12199     14.30183      9.05549         0.188420     -0.258933     -0.241244
     17.05421     15.93894      2.98848         0.160712      0.386234     -0.268483
     18.74886     14.63058      3.28051         0.129179      0.072297      0.005117
     16.89665     14.37366      4.46593         0.189947      0.143232     -0.012416
 -----------------------------------------------------------------------------------
    total drift:                                0.006434      0.008789      0.002124


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4553.8615289160 eV

  energy  without entropy=    -4554.0121035156  energy(sigma->0) =    -4553.91172045
 
 d Force = 0.8902712E-02[-0.301E-03, 0.181E-01]  d Energy = 0.8943594E-02-0.409E-04
 d Force = 0.1127837E+03[ 0.113E+03, 0.113E+03]  d Ewald  = 0.1127838E+03-0.525E-05


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   32(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.1566646E+01  (-0.1509824E+03)
 number of electron    2498.0000005 magnetization 
 augmentation part      162.8729132 magnetization 

  free energy =  -0.455229487955E+04  energy without entropy=  -0.455244590313E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   32(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) :-0.3807019E+01  (-0.4468392E+01)
 number of electron    2498.0000005 magnetization 
 augmentation part      163.0473066 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8242
  0.8242

  free energy =  -0.455610189904E+04  energy without entropy=  -0.455625401987E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   32(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3720
 total energy-change (2. order) : 0.1426863E+00  (-0.8751400E-01)
 number of electron    2498.0000006 magnetization 
 augmentation part      162.9666582 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3566
  1.1422  1.5710

  free energy =  -0.455595921279E+04  energy without entropy=  -0.455611044948E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   32(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) : 0.7100131E-02  (-0.7720161E-01)
 number of electron    2498.0000005 magnetization 
 augmentation part      162.8351068 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2516
  2.1199  0.8785  0.7566

  free energy =  -0.455595211266E+04  energy without entropy=  -0.455610200532E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   32(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) :-0.8245248E-02  (-0.1593483E-01)
 number of electron    2498.0000005 magnetization 
 augmentation part      162.8415683 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2886
  2.3242  0.9613  0.9613  0.9074

  free energy =  -0.455596035790E+04  energy without entropy=  -0.455611031607E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   32(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3688
 total energy-change (2. order) : 0.8524916E-02  (-0.8678612E-02)
 number of electron    2498.0000005 magnetization 
 augmentation part      162.8554193 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2849
  2.3785  1.0864  1.0864  0.9365  0.9365

  free energy =  -0.455595183299E+04  energy without entropy=  -0.455610165430E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   32(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) :-0.4336889E-03  (-0.1701143E-02)
 number of electron    2498.0000005 magnetization 
 augmentation part      162.8712908 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2727
  2.4498  0.9841  0.9841  1.2007  1.2007  0.8172

  free energy =  -0.455595226668E+04  energy without entropy=  -0.455610223928E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   32(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) : 0.2476366E-03  (-0.2128252E-03)
 number of electron    2498.0000005 magnetization 
 augmentation part      162.8741729 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2415
  2.4474  1.0687  1.0687  1.2031  1.2031  0.8500  0.8500

  free energy =  -0.455595201904E+04  energy without entropy=  -0.455610175151E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   32(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3568
 total energy-change (2. order) :-0.7849743E-04  (-0.1337092E-03)
 number of electron    2498.0000005 magnetization 
 augmentation part      162.8713745 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2462
  2.5058  1.5525  1.0351  1.0351  1.1932  0.9594  0.9594  0.7291

  free energy =  -0.455595209754E+04  energy without entropy=  -0.455610183258E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   32(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) :-0.7993440E-04  (-0.1410714E-04)
 number of electron    2498.0000005 magnetization 
 augmentation part      162.8713555 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2737
  2.6324  1.9398  1.0643  1.0643  1.3061  0.9002  0.9002  0.9774  0.6783

  free energy =  -0.455595217747E+04  energy without entropy=  -0.455610182557E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   32(  11)  ---------------------------------------



 eigenvalue-minimisations  :  3320
 total energy-change (2. order) :-0.1041890E-03  (-0.7424180E-05)
 number of electron    2498.0000005 magnetization 
 augmentation part      162.8708041 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2645
  2.6224  1.9646  1.4414  1.0510  1.0510  0.9491  0.9491  1.0053  0.9438  0.6669

  free energy =  -0.455595228166E+04  energy without entropy=  -0.455610186728E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   32(  12)  ---------------------------------------



 eigenvalue-minimisations  :  2528
 total energy-change (2. order) :-0.8249719E-04  (-0.2094487E-05)
 number of electron    2498.0000005 magnetization 
 augmentation part      162.8712004 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2911
  2.7287  2.2889  1.3839  1.3839  1.0619  1.0619  0.9291  0.9291  0.8829  0.8829
  0.6690

  free energy =  -0.455595236416E+04  energy without entropy=  -0.455610191158E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   32(  13)  ---------------------------------------



 eigenvalue-minimisations  :  2376
 total energy-change (2. order) :-0.9197064E-04  (-0.1148582E-05)
 number of electron    2498.0000005 magnetization 
 augmentation part      162.8714169 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3368
  3.0755  2.5102  1.4841  1.4841  1.0521  1.0521  0.9662  0.9662  0.9653  0.9653
  0.8584  0.6622

  free energy =  -0.455595245613E+04  energy without entropy=  -0.455610195452E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   32(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2368
 total energy-change (2. order) :-0.5578974E-04  (-0.8958514E-06)
 number of electron    2498.0000005 magnetization 
 augmentation part      162.8714883 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3865
  3.7690  2.5542  1.5057  1.5057  1.0685  1.0685  1.2003  1.2003  0.9002  0.9002
  0.8430  0.8430  0.6666

  free energy =  -0.455595251192E+04  energy without entropy=  -0.455610197593E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   32(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2280
 total energy-change (2. order) :-0.3277019E-04  (-0.5476766E-06)
 number of electron    2498.0000005 magnetization 
 augmentation part      162.8713729 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3945
  4.0845  2.5673  1.6389  1.6389  1.0649  1.0649  1.0367  1.0367  0.9540  0.9540
  0.9686  0.9686  0.8802  0.6653

  free energy =  -0.455595254469E+04  energy without entropy=  -0.455610198459E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   32(  16)  ---------------------------------------



 eigenvalue-minimisations  :  2224
 total energy-change (2. order) :-0.1260766E-04  (-0.2203570E-06)
 number of electron    2498.0000005 magnetization 
 augmentation part      162.8713579 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4509
  4.4271  2.6110  1.8867  1.7239  1.3559  1.3559  1.0719  1.0719  0.9212  0.9212
  1.0132  1.0132  0.9869  0.6690  0.7342

  free energy =  -0.455595255730E+04  energy without entropy=  -0.455610199066E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   32(  17)  ---------------------------------------



 eigenvalue-minimisations  :  2232
 total energy-change (2. order) :-0.1102762E-04  (-0.1572785E-06)
 number of electron    2498.0000005 magnetization 
 augmentation part      162.8713752 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4928
  5.0865  2.7059  2.4219  1.5350  1.5350  1.0696  1.0696  1.1490  1.1490  0.9172
  0.9172  1.0215  1.0215  0.8455  0.6659  0.7746

  free energy =  -0.455595256832E+04  energy without entropy=  -0.455610199578E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   32(  18)  ---------------------------------------



 eigenvalue-minimisations  :  2184
 total energy-change (2. order) :-0.4392670E-05  (-0.6514337E-07)
 number of electron    2498.0000005 magnetization 
 augmentation part      162.8713752 magnetization 

  free energy =  -0.455595257272E+04  energy without entropy=  -0.455610199725E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.9657       2 -56.1435       3 -56.0626       4 -55.7595       5 -55.7991
       6 -56.2921       7 -58.1020       8 -58.3062       9 -56.2647      10 -55.9713
      11 -55.9776      12 -55.7772      13 -55.7213      14 -55.8750      15 -58.0815
      16 -58.0609      17 -56.2836      18 -54.8871      19 -54.8240      20 -55.1530
      21 -55.6424      22 -55.6497      23 -55.7340      24 -55.6715      25 -55.0472
      26 -54.7918      27 -54.9374      28 -54.9867      29 -60.4201      30 -60.3682
      31 -55.5706      32 -55.7874      33 -55.7140      34 -55.2177      35 -55.5025
      36 -55.9615      37 -57.8447      38 -58.0937      39 -56.0622      40 -55.7837
      41 -55.9153      42 -55.7261      43 -55.7371      44 -55.8587      45 -58.1162
      46 -58.1804      47 -56.4710      48 -55.1209      49 -54.9563      50 -55.3029
      51 -55.9105      52 -55.8436      53 -55.7929      54 -55.8098      55 -55.1703
      56 -54.8587      57 -54.9716      58 -56.3642      59 -60.3997      60 -60.6266
      61 -55.9069      62 -55.9721      63 -55.8935      64 -55.6873      65 -55.7278
      66 -56.1983      67 -57.9635      68 -58.2002      69 -56.2458      70 -55.9474
      71 -56.0551      72 -55.7485      73 -55.6786      74 -55.9028      75 -58.1074
      76 -58.2559      77 -56.4909      78 -55.0590      79 -55.0053      80 -55.3521
      81 -55.8415      82 -55.8782      83 -55.9397      84 -55.9651      85 -55.1616
      86 -55.0670      87 -55.1426      88 -56.4641      89 -60.7295      90 -60.4487
      91 -55.6324      92 -55.7455      93 -55.6710      94 -55.4096      95 -55.5271
      96 -55.9905      97 -57.8721      98 -57.9552      99 -56.0925     100 -55.8752
     101 -55.9820     102 -55.5914     103 -55.6342     104 -55.8713     105 -58.1175
     106 -58.2539     107 -56.5119     108 -55.1156     109 -54.9784     110 -55.3887
     111 -55.8797     112 -55.7949     113 -55.7469     114 -55.8504     115 -55.1859
     116 -54.9035     117 -54.9958     118 -56.3964     119 -60.5031     120 -60.5544
     121 -55.8445     122 -55.9324     123 -55.8289     124 -55.7109     125 -55.7380
     126 -56.1213     127 -58.0221     128 -58.2245     129 -56.0229     130 -55.7094
     131 -55.7825     132 -55.5795     133 -55.5128     134 -55.7065     135 -57.8903
     136 -58.0572     137 -56.3943     138 -55.0258     139 -54.9424     140 -55.2522
     141 -55.7900     142 -55.9058     143 -55.8545     144 -55.8106     145 -55.1080
     146 -55.0094     147 -55.0604     148 -56.3684     149 -60.6198     150 -60.5392
     151 -55.5110     152 -55.6015     153 -55.4963     154 -55.3146     155 -55.4158
     156 -55.8453     157 -57.8484     158 -57.8877     159 -55.9253     160 -55.6964
     161 -55.8886     162 -55.5122     163 -55.5803     164 -55.7788     165 -57.9992
     166 -58.1452     167 -56.5583     168 -55.1502     169 -54.9870     170 -55.3804
     171 -56.0185     172 -56.0236     173 -55.9444     174 -55.8234     175 -55.3073
     176 -54.7974     177 -55.0030     178 -56.3889     179 -60.4690     180 -60.6237
     181 -55.8925     182 -56.0946     183 -55.9706     184 -55.6716     185 -55.6743
     186 -56.2013     187 -57.9740     188 -58.3002     189 -56.1721     190 -55.8260
     191 -55.9174     192 -55.7179     193 -55.6336     194 -55.8116     195 -58.0163
     196 -58.2308     197 -56.4499     198 -54.9579     199 -54.9334     200 -55.3134
     201 -55.8402     202 -55.9537     203 -55.8844     204 -55.8355     205 -55.1950
     206 -55.1506     207 -55.0766     208 -56.4074     209 -60.7769     210 -60.4994
     211 -55.9638     212 -56.1267     213 -55.9708     214 -55.7394     215 -55.7319
     216 -56.2471     217 -58.1290     218 -58.3620     219 -56.1352     220 -55.8189
     221 -55.8848     222 -55.6119     223 -55.4752     224 -55.7535     225 -57.9275
     226 -58.1481     227 -56.3989     228 -54.9335     229 -54.9774     230 -55.1136
     231 -55.6533     232 -55.9453     233 -56.0251     234 -55.6448     235 -55.2272
     236 -55.0968     237 -55.1795     238 -56.4813     239 -60.3083     240 -60.3266
     241 -55.8759     242 -55.9563     243 -55.8460     244 -55.7031     245 -55.7447
     246 -56.1650     247 -58.0677     248 -58.1337     249 -56.1460     250 -55.8249
     251 -55.9266     252 -55.7023     253 -55.6874     254 -55.8379     255 -57.9991
     256 -58.0733     257 -56.3808     258 -55.0510     259 -54.8852     260 -55.1731
     261 -55.7675     262 -55.8324     263 -55.9290     264 -55.9778     265 -55.5130
     266 -54.9638     267 -55.1229     268 -56.4903     269 -60.5599     270 -60.3586
     271 -55.8232     272 -55.9075     273 -55.7549     274 -55.7063     275 -55.6793
     276 -56.0422     277 -58.1657     278 -58.1555     279 -55.8227     280 -55.6284
     281 -55.7126     282 -55.4444     283 -55.3696     284 -55.6601     285 -57.9674
     286 -58.0403     287 -56.5137     288 -55.0497     289 -54.9410     290 -55.3856
     291 -55.8624     292 -55.8315     293 -55.8254     294 -55.8026     295 -55.1273
     296 -54.8619     297 -54.9411     298 -56.3434     299 -60.3690     300 -60.5526
     301 -55.7812     302 -55.9257     303 -55.8054     304 -55.5279     305 -55.5772
     306 -56.0483     307 -58.0335     308 -58.2178     309 -56.0712     310 -55.7471
     311 -55.8538     312 -55.6116     313 -55.5568     314 -55.7536     315 -57.9191
     316 -58.0883     317 -56.3874     318 -54.9662     319 -54.8883     320 -55.2169
     321 -55.7856     322 -55.8283     323 -55.9066     324 -55.8999     325 -55.1620
     326 -55.0997     327 -55.1732     328 -56.4466     329 -60.5661     330 -60.3566
     331 -55.7434     332 -55.7604     333 -55.6366     334 -55.5943     335 -55.5725
     336 -55.9827     337 -57.9391     338 -57.8890     339 -55.7897     340 -55.5000
     341 -55.6367     342 -55.4277     343 -55.4255     344 -55.6012     345 -57.9250
     346 -57.9315     347 -56.3698     348 -54.8750     349 -54.8734     350 -55.2684
     351 -55.7568     352 -55.8226     353 -55.7630     354 -55.6716     355 -55.1540
     356 -54.7603     357 -54.8924     358 -56.3214     359 -60.3511     360 -60.4753
     361 -38.9715     362 -38.7511     363 -38.8902     364 -38.9542     365 -38.8835
     366 -38.6376     367 -38.1002     368 -38.1888     369 -38.1155     370 -38.1511
     371 -38.2268     372 -38.2734     373 -38.7098     374 -38.2631     375 -38.6100
     376 -38.8214     377 -38.7866     378 -38.7236     379 -38.2354     380 -38.2328
     381 -38.2335     382 -38.1219     383 -38.3155     384 -38.1208     385 -38.6888
     386 -38.6628     387 -38.7501     388 -38.7946     389 -38.7728     390 -38.5034
     391 -38.2814     392 -38.2820     393 -38.2293     394 -38.0986     395 -38.2396
     396 -38.4039     397 -38.6618     398 -38.3054     399 -38.6461     400 -38.7982
     401 -38.6176     402 -38.7410     403 -38.3997     404 -38.3089     405 -38.3272
     406 -37.9878     407 -38.1647     408 -38.1160     409 -38.7233     410 -38.7331
     411 -38.9161     412 -38.6226     413 -38.7757     414 -38.4917     415 -38.1557
     416 -38.3300     417 -38.1107     418 -38.1489     419 -38.2241     420 -38.2237
     421 -38.5041     422 -38.1846     423 -38.4837     424 -38.6553     425 -38.5402
     426 -38.6767     427 -38.2373     428 -38.2515     429 -38.3105     430 -38.1830
     431 -38.3743     432 -38.2213     433 -38.7000     434 -38.7077     435 -38.9555
     436 -38.6357     437 -38.9286     438 -38.5423     439 -38.4955     440 -38.2712
     441 -38.2273     442 -38.2644     443 -38.3296     444 -38.1863     445 -38.7898
     446 -38.8111     447 -38.8525     448 -38.6664     449 -38.6667     450 -38.3395
     451 -38.0192     452 -37.9965     453 -38.0297     454 -38.0289     455 -38.1737
     456 -38.1642     457 -38.7972     458 -38.5938     459 -38.8049     460 -38.8059
     461 -38.7622     462 -38.5809     463 -38.1437     464 -38.2718     465 -38.1191
     466 -38.2621     467 -38.3490     468 -38.2356     469 -38.8145     470 -38.6783
     471 -38.7073     472 -38.6984     473 -38.4758     474 -38.3246     475 -38.1872
     476 -38.0692     477 -38.2569     478 -38.1017     479 -38.1771     480 -38.0602
     481 -38.7241     482 -38.6611     483 -38.7734     484 -38.7112     485 -38.7820
     486 -38.6073     487 -38.2096     488 -38.2772     489 -38.1115     490 -38.1759
     491 -38.1513     492 -38.3117     493 -38.7854     494 -38.4836     495 -38.6703
     496 -38.6185     497 -38.4490     498 -38.4897     499 -38.1742     500 -37.9819
     501 -38.1968     502 -38.0702     503 -38.1432     504 -38.0338     505 -38.3492
     506 -41.1677     507 -71.6635     508 -71.5119     509 -71.5130     510 -71.6336
     511 -71.5563     512 -71.5947     513 -71.3502     514 -71.6852     515 -71.6398
     516 -71.4709     517 -71.3676     518 -71.6961     519 -71.5230     520 -71.6727
     521 -71.5686     522 -71.4975     523 -71.5480     524 -71.5490     525 -71.5926
     526 -71.5444     527 -71.5843     528 -71.5112     529 -71.0683     530 -71.4963
     531 -76.9520     532 -76.8217     533 -76.7462     534 -76.9117     535 -76.7662
     536 -76.6044     537 -76.8028     538 -76.9075     539 -76.8931     540 -76.4513
     541 -76.9483     542 -76.8794     543 -76.6019     544 -76.6853     545 -76.8879
     546 -76.8523     547 -76.9275     548 -76.7580     549 -76.8232     550 -76.5862
     551 -76.6102     552 -76.6174     553 -76.6803     554 -76.6008     555 -77.0566
     556 -76.6934     557 -76.9812     558 -76.7521     559 -77.0546     560 -76.8666
     561 -76.8418     562 -76.6375     563 -76.7546     564 -76.8430     565 -76.6989
     566 -76.7285     567 -76.8426     568 -77.0328     569 -76.6285     570 -76.6166
     571 -76.9171     572 -76.7611     573 -76.7988     574 -76.6391     575 -76.5849
     576 -76.6710     577 -76.5618     578 -76.6884     579 -82.5280     580 -82.3671
     581 -82.2779     582 -82.3906     583 -82.3130     584 -82.2340     585 -82.4604
     586 -82.5962     587 -82.5794     588 -82.2796     589 -82.1008     590 -82.2377
     591 -82.5066     592 -82.2517     593 -82.3688     594 -82.7564     595 -82.5634
     596 -82.6043     597 -82.4590     598 -82.4815     599 -82.5404     600 -82.3297
     601 -82.0532     602 -82.6069     603 -82.6936     604 -82.3681     605 -82.5826
     606 -82.8626     607 -82.6689     608 -82.3987     609 -82.6588     610 -82.4318
     611 -82.4844     612 -82.4184     613 -82.3792     614 -82.1368     615 -82.5073
     616 -82.5908     617 -82.4089     618 -83.0841     619 -82.7767     620 -82.8426
     621 -82.2213     622 -82.4654     623 -82.4007     624 -82.3933     625 -82.1749
     626 -82.3612     627 -82.2684     628 -82.3731     629 -82.1736     630 -82.5727
     631 -82.0362     632 -82.4264     633 -82.4258     634 -82.4677     635 -82.5250
     636 -82.2679     637 -82.1810     638 -82.1241     639 -82.1226     640 -82.3510
     641 -82.3052     642 -82.5527     643 -82.4521     644 -82.4114     645 -82.3124
     646 -82.5400     647 -82.4859     648 -82.2692     649 -82.2497     650 -82.2101
 
 
 
 E-fermi :  -1.4360     XC(G=0):  -6.4347     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.6005      2.00000
      2     -29.2699      2.00000
      3     -29.0620      2.00000
      4     -29.0215      2.00000
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     10     -28.8839      2.00000
     11     -28.8675      2.00000
     12     -28.8325      2.00000
     13     -28.8198      2.00000
     14     -28.7838      2.00000
     15     -28.7475      2.00000
     16     -28.7288      2.00000
     17     -28.6919      2.00000
     18     -28.6434      2.00000
     19     -28.5763      2.00000
     20     -28.5496      2.00000
     21     -28.5359      2.00000
     22     -28.5148      2.00000
     23     -28.5001      2.00000
     24     -28.4279      2.00000
     25     -27.3875      2.00000
     26     -27.1334      2.00000
     27     -26.8740      2.00000
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     29     -26.7487      2.00000
     30     -26.7298      2.00000
     31     -26.7003      2.00000
     32     -26.6901      2.00000
     33     -26.6704      2.00000
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     40     -26.5604      2.00000
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     48     -26.4723      2.00000
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   1134      -3.0982      2.00000
   1135      -3.0956      2.00000
   1136      -3.0952      2.00000
   1137      -3.0939      2.00000
   1138      -3.0484      2.00000
   1139      -3.0379      2.00000
   1140      -3.0310      2.00000
   1141      -3.0146      2.00000
   1142      -3.0020      2.00000
   1143      -2.9986      2.00000
   1144      -2.9967      2.00000
   1145      -2.9883      2.00000
   1146      -2.9829      2.00000
   1147      -2.9785      2.00000
   1148      -2.9744      2.00000
   1149      -2.9739      2.00000
   1150      -2.9639      2.00000
   1151      -2.9476      2.00000
   1152      -2.9409      2.00000
   1153      -2.9289      2.00000
   1154      -2.9175      2.00000
   1155      -2.9152      2.00000
   1156      -2.9079      2.00000
   1157      -2.8907      2.00000
   1158      -2.8829      2.00000
   1159      -2.8747      2.00000
   1160      -2.8647      2.00000
   1161      -2.8579      2.00000
   1162      -2.8526      2.00000
   1163      -2.8443      2.00000
   1164      -2.8400      2.00000
   1165      -2.8172      2.00000
   1166      -2.8100      2.00000
   1167      -2.7916      2.00000
   1168      -2.7818      2.00000
   1169      -2.7675      2.00000
   1170      -2.7519      2.00000
   1171      -2.7222      2.00000
   1172      -2.7134      2.00000
   1173      -2.7044      2.00000
   1174      -2.6888      2.00000
   1175      -2.6822      2.00000
   1176      -2.6740      2.00000
   1177      -2.6561      2.00000
   1178      -2.6427      2.00000
   1179      -2.6369      2.00000
   1180      -2.6112      2.00000
   1181      -2.5942      2.00000
   1182      -2.5871      2.00000
   1183      -2.5791      2.00000
   1184      -2.5663      2.00000
   1185      -2.5598      2.00000
   1186      -2.5498      2.00000
   1187      -2.5386      2.00000
   1188      -2.5328      2.00000
   1189      -2.5289      2.00000
   1190      -2.5212      2.00000
   1191      -2.5101      2.00000
   1192      -2.5026      2.00000
   1193      -2.4912      2.00000
   1194      -2.4842      2.00000
   1195      -2.4742      2.00000
   1196      -2.4645      2.00000
   1197      -2.4611      2.00000
   1198      -2.4585      2.00000
   1199      -2.4547      2.00000
   1200      -2.4435      2.00000
   1201      -2.4238      2.00000
   1202      -2.4173      2.00000
   1203      -2.4146      2.00000
   1204      -2.4083      2.00000
   1205      -2.4035      2.00000
   1206      -2.4029      2.00000
   1207      -2.3954      2.00000
   1208      -2.3797      2.00000
   1209      -2.3767      2.00000
   1210      -2.3641      2.00000
   1211      -2.3560      2.00000
   1212      -2.3492      2.00000
   1213      -2.3356      2.00000
   1214      -2.3315      2.00000
   1215      -2.3196      2.00000
   1216      -2.3173      2.00000
   1217      -2.3087      2.00000
   1218      -2.2969      2.00000
   1219      -2.2853      2.00000
   1220      -2.2775      2.00000
   1221      -2.2747      2.00000
   1222      -2.2691      2.00000
   1223      -2.2581      2.00000
   1224      -2.2539      2.00000
   1225      -2.2390      2.00000
   1226      -2.2282      2.00000
   1227      -2.2152      2.00000
   1228      -2.2056      2.00000
   1229      -2.1919      2.00000
   1230      -2.1761      2.00000
   1231      -2.1507      2.00001
   1232      -2.1452      2.00001
   1233      -2.1288      2.00001
   1234      -2.1243      2.00001
   1235      -2.0611      2.00009
   1236      -2.0510      2.00012
   1237      -2.0337      2.00020
   1238      -1.7817      2.03463
   1239      -1.7366      2.05504
   1240      -1.6959      2.06936
   1241      -1.6691      2.06975
   1242      -1.6562      2.06540
   1243      -1.6316      2.04543
   1244      -1.6187      2.02740
   1245      -1.6010      1.99231
   1246      -1.5957      1.97930
   1247      -1.5885      1.95976
   1248      -1.5666      1.88488
   1249      -1.5508      1.81630
   1250       0.1544     -0.00000
   1251       0.1682     -0.00000
   1252       0.2379     -0.00000
   1253       0.2425     -0.00000
   1254       0.2882     -0.00000
   1255       0.3065     -0.00000
   1256       0.3515     -0.00000
   1257       0.3820     -0.00000
   1258       0.3945     -0.00000
   1259       0.4180     -0.00000
   1260       0.4233     -0.00000
   1261       0.4976     -0.00000
   1262       0.6472     -0.00000
   1263       0.7037     -0.00000
   1264       0.7063     -0.00000
   1265       0.7345     -0.00000
   1266       0.7583     -0.00000
   1267       0.7863     -0.00000
   1268       0.8060     -0.00000
   1269       0.8080     -0.00000
   1270       0.8112     -0.00000
   1271       0.8549     -0.00000
   1272       0.8683     -0.00000
   1273       0.8833     -0.00000
   1274       0.8948     -0.00000
   1275       0.8998     -0.00000
   1276       0.9341     -0.00000
   1277       0.9578     -0.00000
   1278       0.9738     -0.00000
   1279       0.9789     -0.00000
   1280       1.0627     -0.00000
   1281       1.0784     -0.00000
   1282       1.1004     -0.00000
   1283       1.1120     -0.00000
   1284       1.1280     -0.00000
   1285       1.2007     -0.00000
   1286       1.2086     -0.00000
   1287       1.2560     -0.00000
   1288       1.3362     -0.00000
   1289       1.3567     -0.00000
   1290       1.3795     -0.00000
   1291       1.4542     -0.00000
   1292       1.5363     -0.00000
   1293       1.5458     -0.00000
   1294       1.5726     -0.00000
   1295       1.6220     -0.00000
   1296       1.6355     -0.00000
   1297       1.6691     -0.00000
   1298       1.8178     -0.00000
   1299       1.8447     -0.00000
   1300       1.8786     -0.00000
   1301       1.9010     -0.00000
   1302       1.9353     -0.00000
   1303       1.9524     -0.00000
   1304       1.9627     -0.00000
   1305       1.9685     -0.00000
   1306       2.0077     -0.00000
   1307       2.0383     -0.00000
   1308       2.0489     -0.00000
   1309       2.0665     -0.00000
   1310       2.0790     -0.00000
   1311       2.0954     -0.00000
   1312       2.1314     -0.00000
   1313       2.1503     -0.00000
   1314       2.1529     -0.00000
   1315       2.1822     -0.00000
   1316       2.2194     -0.00000
   1317       2.2297     -0.00000
   1318       2.2340     -0.00000
   1319       2.2455     -0.00000
   1320       2.3116     -0.00000
   1321       2.3285     -0.00000
   1322       2.3509     -0.00000
   1323       2.3667     -0.00000
   1324       2.3972     -0.00000
   1325       2.4265     -0.00000
   1326       2.4506     -0.00000
   1327       2.4896     -0.00000
   1328       2.4998     -0.00000
   1329       2.5006     -0.00000
   1330       2.5428     -0.00000
   1331       2.5709     -0.00000
   1332       2.5734     -0.00000
   1333       2.5939     -0.00000
   1334       2.6185     -0.00000
   1335       2.6274     -0.00000
   1336       2.6364     -0.00000
   1337       2.6495     -0.00000
   1338       2.6617     -0.00000
   1339       2.6759     -0.00000
   1340       2.6996     -0.00000
   1341       2.7106     -0.00000
   1342       2.7284     -0.00000
   1343       2.7354     -0.00000
   1344       2.8039     -0.00000
   1345       2.8424     -0.00000
   1346       2.9318     -0.00000
   1347       2.9705     -0.00000
   1348       3.0046     -0.00000
   1349       3.0405     -0.00000
   1350       3.0557     -0.00000
   1351       3.0897     -0.00000
   1352       3.0947     -0.00000
   1353       3.1169     -0.00000
   1354       3.1356     -0.00000
   1355       3.1580     -0.00000
   1356       3.1814     -0.00000
   1357       3.1973     -0.00000
   1358       3.2294     -0.00000
   1359       3.2583     -0.00000
   1360       3.2770     -0.00000
   1361       3.3237     -0.00000
   1362       3.4191     -0.00000
   1363       3.4671     -0.00000
   1364       3.5227     -0.00000
   1365       3.6138     -0.00000
   1366       3.6727     -0.00000
   1367       3.7148     -0.00000
   1368       3.7281     -0.00000
   1369       3.7665     -0.00000
   1370       3.7835     -0.00000
   1371       3.8072     -0.00000
   1372       3.8185     -0.00000
   1373       3.8486     -0.00000
   1374       3.8554     -0.00000
   1375       3.8828     -0.00000
   1376       3.8996      0.00000
   1377       3.9125      0.00000
   1378       3.9425      0.00000
   1379       3.9593      0.00000
   1380       3.9671      0.00000
   1381       3.9839      0.00000
   1382       3.9893      0.00000
   1383       4.0043      0.00000
   1384       4.0379      0.00000
   1385       4.0456      0.00000
   1386       4.0565      0.00000
   1387       4.0711      0.00000
   1388       4.0780      0.00000
   1389       4.0965      0.00000
   1390       4.1105      0.00000
   1391       4.1174      0.00000
   1392       4.1293      0.00000
   1393       4.1454      0.00000
   1394       4.1561      0.00000
   1395       4.1677      0.00000
   1396       4.1761      0.00000
   1397       4.2008      0.00000
   1398       4.2041      0.00000
   1399       4.2109      0.00000
   1400       4.2246      0.00000
   1401       4.2356      0.00000
   1402       4.2509      0.00000
   1403       4.2615      0.00000
   1404       4.2833      0.00000
   1405       4.3023      0.00000
   1406       4.3146      0.00000
   1407       4.3292      0.00000
   1408       4.3362      0.00000
   1409       4.3527      0.00000
   1410       4.3601      0.00000
   1411       4.3712      0.00000
   1412       4.3881      0.00000
   1413       4.3985      0.00000
   1414       4.4106      0.00000
   1415       4.4207      0.00000
   1416       4.4390      0.00000
   1417       4.4643      0.00000
   1418       4.4734      0.00000
   1419       4.4907      0.00000
   1420       4.5017      0.00000
   1421       4.5043      0.00000
   1422       4.5129      0.00000
   1423       4.5503      0.00000
   1424       4.5552      0.00000
   1425       4.5732      0.00000
   1426       4.5876      0.00000
   1427       4.6128      0.00000
   1428       4.6141      0.00000
   1429       4.6247      0.00000
   1430       4.6315      0.00000
   1431       4.6622      0.00000
   1432       4.6926      0.00000
   1433       4.7003      0.00000
   1434       4.7166      0.00000
   1435       4.7444      0.00000
   1436       4.7712      0.00000
   1437       4.7988      0.00000
   1438       4.8244      0.00000
   1439       4.8461      0.00000
   1440       4.8520      0.00000
   1441       4.8705      0.00000
   1442       4.8947      0.00000
   1443       4.9124      0.00000
   1444       4.9450      0.00000
   1445       4.9631      0.00000
   1446       4.9683      0.00000
   1447       4.9835      0.00000
   1448       4.9870      0.00000
   1449       4.9951      0.00000
   1450       5.0119      0.00000
   1451       5.0343      0.00000
   1452       5.0530      0.00000
   1453       5.0669      0.00000
   1454       5.0832      0.00000
   1455       5.1051      0.00000
   1456       5.1166      0.00000
   1457       5.1240      0.00000
   1458       5.1360      0.00000
   1459       5.1585      0.00000
   1460       5.1736      0.00000
   1461       5.1955      0.00000
   1462       5.2074      0.00000
   1463       5.2158      0.00000
   1464       5.2352      0.00000
   1465       5.2383      0.00000
   1466       5.2441      0.00000
   1467       5.2775      0.00000
   1468       5.2895      0.00000
   1469       5.2924      0.00000
   1470       5.3035      0.00000
   1471       5.3196      0.00000
   1472       5.3287      0.00000
   1473       5.3386      0.00000
   1474       5.3513      0.00000
   1475       5.3622      0.00000
   1476       5.3772      0.00000
   1477       5.3797      0.00000
   1478       5.3849      0.00000
   1479       5.3985      0.00000
   1480       5.4056      0.00000
   1481       5.4103      0.00000
   1482       5.4244      0.00000
   1483       5.4390      0.00000
   1484       5.4402      0.00000
   1485       5.4484      0.00000
   1486       5.4601      0.00000
   1487       5.4668      0.00000
   1488       5.4730      0.00000
   1489       5.4787      0.00000
   1490       5.4855      0.00000
   1491       5.5063      0.00000
   1492       5.5080      0.00000
   1493       5.5270      0.00000
   1494       5.5292      0.00000
   1495       5.5405      0.00000
   1496       5.5484      0.00000
   1497       5.5496      0.00000
   1498       5.5716      0.00000
   1499       5.5813      0.00000
   1500       5.5901      0.00000
   1501       5.5985      0.00000
   1502       5.6017      0.00000
   1503       5.6123      0.00000
   1504       5.6309      0.00000
   1505       5.6391      0.00000
   1506       5.6444      0.00000
   1507       5.6536      0.00000
   1508       5.6662      0.00000
   1509       5.6723      0.00000
   1510       5.6821      0.00000
   1511       5.6884      0.00000
   1512       5.7018      0.00000
   1513       5.7175      0.00000
   1514       5.7248      0.00000
   1515       5.7408      0.00000
   1516       5.7471      0.00000
   1517       5.7532      0.00000
   1518       5.7624      0.00000
   1519       5.7723      0.00000
   1520       5.7820      0.00000
   1521       5.7954      0.00000
   1522       5.8025      0.00000
   1523       5.8099      0.00000
   1524       5.8252      0.00000
   1525       5.8342      0.00000
   1526       5.8372      0.00000
   1527       5.8428      0.00000
   1528       5.8634      0.00000
   1529       5.8663      0.00000
   1530       5.8721      0.00000
   1531       5.8856      0.00000
   1532       5.8993      0.00000
   1533       5.9006      0.00000
   1534       5.9191      0.00000
   1535       5.9207      0.00000
   1536       5.9246      0.00000
   1537       5.9348      0.00000
   1538       5.9483      0.00000
   1539       5.9665      0.00000
   1540       5.9671      0.00000
   1541       5.9867      0.00000
   1542       5.9884      0.00000
   1543       5.9969      0.00000
   1544       6.0119      0.00000
   1545       6.0224      0.00000
   1546       6.0306      0.00000
   1547       6.0402      0.00000
   1548       6.0460      0.00000
   1549       6.0478      0.00000
   1550       6.0616      0.00000
   1551       6.0740      0.00000
   1552       6.0806      0.00000
   1553       6.0842      0.00000
   1554       6.0979      0.00000
   1555       6.1036      0.00000
   1556       6.1060      0.00000
   1557       6.1151      0.00000
   1558       6.1250      0.00000
   1559       6.1306      0.00000
   1560       6.1399      0.00000
   1561       6.1446      0.00000
   1562       6.1587      0.00000
   1563       6.1639      0.00000
   1564       6.1736      0.00000
   1565       6.1740      0.00000
   1566       6.1849      0.00000
   1567       6.2083      0.00000
   1568       6.2123      0.00000
   1569       6.2227      0.00000
   1570       6.2343      0.00000
   1571       6.2377      0.00000
   1572       6.2543      0.00000
   1573       6.2574      0.00000
   1574       6.2668      0.00000
   1575       6.2753      0.00000
   1576       6.2983      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.084  13.407  -0.001   0.001  -0.000   0.001  -0.004   0.000
 13.407  17.824  -0.001   0.002  -0.000   0.001  -0.006   0.001
 -0.001  -0.001  -4.228   0.002   0.000   8.270  -0.004  -0.001
  0.001   0.002   0.002  -4.229   0.001  -0.004   8.271  -0.001
 -0.000  -0.000   0.000   0.001  -4.222  -0.001  -0.001   8.261
  0.001   0.001   8.270  -0.004  -0.001 -18.304   0.006   0.001
 -0.004  -0.006  -0.004   8.271  -0.001   0.006 -18.303   0.001
  0.000   0.001  -0.001  -0.001   8.261   0.001   0.001 -18.295
 total augmentation occupancy for first ion, spin component:           1
  8.508  -3.837   0.201   0.131  -0.064   0.026   0.024  -0.010
 -3.837   1.805  -0.105  -0.087   0.037  -0.011  -0.015   0.006
  0.201  -0.105   1.775  -0.060  -0.033   0.167  -0.011  -0.006
  0.131  -0.087  -0.060   1.922  -0.072  -0.011   0.181  -0.010
 -0.064   0.037  -0.033  -0.072   1.223  -0.006  -0.010   0.080
  0.026  -0.011   0.167  -0.011  -0.006   0.017  -0.002  -0.001
  0.024  -0.015  -0.011   0.181  -0.010  -0.002   0.019  -0.001
 -0.010   0.006  -0.006  -0.010   0.080  -0.001  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -53934.46067106798.05508 32117.54754-12689.33668  6648.77541 24254.78368
  Hartree  1371.81619133813.01487 70281.31134-12970.92300  4676.99820 18700.58194
  E(xc)  -10739.35865-10596.35600-10638.57592     2.34920     7.76250    30.77977
  Local   19174.37613************************ 25644.98651-11371.09313-42391.31887
  n-local -5854.51507 -5979.82328 -6037.33660     5.47800    16.14491   -59.37355
  augment  1490.57168  1538.66791  1487.05070     4.72836    13.49536    -1.46166
  Kinetic 45551.40631 43257.15912 43745.59255   -25.70881   -66.58269  -541.34435
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -32.3053611   -410.6806421    -84.3499164    -28.4264285    -74.4994391     -7.3530341
  in kB       -5.3871775    -68.4842843    -14.0660237     -4.7403345    -12.4233778     -1.2261773
  external PRESSURE =     -29.3124952 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.273E+03 -.119E+03 0.250E+03   0.273E+03 0.119E+03 -.252E+03   -.122E+00 -.543E+00 0.118E+01   0.197E-03 0.802E-04 -.710E-04
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 -----------------------------------------------------------------------------------------------
   0.184E+01 0.516E+01 0.132E+02   0.291E-10 -.381E-11 0.171E-11   -.183E+01 -.514E+01 -.132E+02   -.385E-02 -.582E-02 -.256E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.94055      3.16110      1.41721         0.042651     -0.320767     -0.353548
     12.74505      3.58146      2.72270        -0.026679     -0.021009      0.127230
     12.69454      4.94985      3.04094         0.065677      0.473144      0.115534
     12.96645      4.07150      0.37423         0.026850      0.329036     -0.197094
     12.91844      5.44038      0.67024         0.010261     -0.107493      0.127313
     12.83155      5.93452      2.00177         0.063024     -0.130277      0.064915
     13.04269      1.66785      1.36181        -0.247804      0.947232      0.759411
     12.55877      2.33695      3.55648         0.120556      0.051201     -0.103922
     12.93041      7.43366      2.23896         0.050914      0.120195      0.072223
     12.88720      8.05110      3.53105         0.023804     -0.491942     -0.073126
     13.19541      9.41179      3.67051         0.048778     -0.169415     -0.025420
     13.15836      8.30910      1.13714         0.189005      0.184336      0.008472
     13.37600      9.69033      1.28284        -0.003218     -0.170584     -0.116008
     13.42523     10.21813      2.56801         0.048651      0.358042     -0.352260
     13.64950     11.64336      3.00466        -0.260081     -2.455308      1.190231
     13.35233     10.25901      4.89627        -0.077028     -0.098302     -0.592593
     13.72198     12.74978      5.30114        -0.082596     -0.285666     -0.100870
     13.39252     12.66167      6.65080         0.103795      0.705410      0.437988
     13.42000     13.77301      7.50396        -0.134711     -0.042116     -0.160685
     14.01806     14.03564      4.84053         0.030034      0.317238      0.369458
     14.02497     15.14416      5.72483        -0.032615      0.042490     -0.143864
     13.76571     15.09464      7.13567        -0.251797     -0.491169      0.237086
     13.79499     16.23067      8.19008         0.024804     -0.158776      0.179685
     13.25460     16.18208      9.53600        -0.047083     -0.209376     -0.043758
     13.35829     17.27654     10.42489         0.000955     -0.341297     -0.023463
     14.35982     17.49761      7.90835         0.118348     -0.160340      0.130262
     14.38456     18.59693      8.76357         0.027838     -0.268447      0.024473
     13.92185     18.49158     10.06428        -0.046332     -0.141494     -0.151909
     12.50110     15.02434     10.17293        -0.014712     -0.176122      0.174547
     14.52653     16.38580      5.07009         0.293687     -0.125888     -0.372711
      9.66283      3.86085      4.79662         0.098232     -0.176934     -0.005412
      9.77714      4.79270      3.77925         0.040265      0.063996      0.058500
      9.93863      6.14794      4.09620         0.017749      0.332263     -0.051988
      9.67024      4.22651      6.12666         0.118684      0.287260      0.365133
      9.73969      5.58225      6.46089         0.145649     -0.140018     -0.167493
      9.90739      6.57758      5.46102         0.000393     -0.071278     -0.225092
      9.48574      2.50065      4.24608         0.207189      0.756498     -0.184805
      9.73093      4.04187      2.47687        -0.084141      0.090602      0.466546
     10.02173      8.02461      5.84280        -0.055936      0.033803      0.023951
     10.22299      9.03485      4.86358        -0.058109     -0.271055     -0.113013
     10.28287     10.36870      5.24721        -0.033291     -0.073984     -0.018754
      9.89940      8.44240      7.19734         0.068534      0.066300      0.036969
      9.98763      9.79308      7.57420         0.041548     -0.140271      0.108878
     10.16792     10.74336      6.57601         0.146430      0.281651      0.402616
     10.29587     12.22966      6.68443         0.045450     -1.158782     -1.243302
     10.46832     11.59694      4.43423        -0.139177      0.194757     -0.742382
     10.80740     14.07371      4.99680         0.151654     -0.122836     -0.077112
     11.31247     14.41320      3.74195         0.199919      0.305891     -0.067677
     11.72621     15.71386      3.44962        -0.190394     -0.025084     -0.003891
     10.78334     15.12273      5.92369        -0.125827      0.374916     -0.036692
     11.07795     16.46600      5.57265        -0.031567      0.236461      0.246923
     11.57351     16.85204      4.26112         0.133965     -0.082012      0.102102
     12.03354     18.24560      3.74970        -0.080171     -0.007074     -0.101250
     12.53075     18.64845      2.43771         0.054978     -0.223359     -0.102092
     12.72937     20.00601      2.10132         0.166652     -0.083150      0.228615
     11.93404     19.34549      4.61797         0.034593      0.320296     -0.417754
     12.16922     20.68467      4.29904        -0.220088     -0.343715      0.044942
     12.55285     21.06046      3.02052         0.122496      0.124323     -0.171806
     12.88024     17.73820      1.23680         0.073591     -0.357485     -0.197955
     10.81203     17.41686      6.74806         0.147222     -0.060756     -0.072546
     10.25995      7.13696     14.62037         0.112658     -0.548934     -0.135272
     10.14491      7.56635     15.93331        -0.025764     -0.387190      0.252810
     10.14167      8.92967     16.25564        -0.059726      0.762482      0.233166
     10.26896      8.07020     13.59042         0.068193      0.291481     -0.310337
     10.26913      9.44669     13.89036        -0.019963     -0.058542     -0.016969
     10.25439      9.93806     15.22211        -0.078145     -0.273805      0.553325
     10.26875      5.62444     14.59851         0.367845     -0.876143     -1.567755
      9.90846      6.32018     16.78653         0.168477      0.345341     -0.662310
     10.31865     11.44425     15.50917         0.131103      0.096661      0.154380
     10.26007     12.02422     16.82603         0.131227     -0.421938     -0.004956
     10.46672     13.40835     17.01270         0.065683     -0.146595      0.029475
     10.49492     12.36662     14.43407         0.127300      0.166799     -0.005504
     10.65447     13.75209     14.62665        -0.008666     -0.143407     -0.159937
     10.66606     14.25099     15.92698         0.010298      0.240920     -0.234502
     10.78946     15.67479     16.38274        -0.109027     -1.386314      0.896161
     10.48029     14.27082     18.25853         0.170001      0.194735     -0.715172
     10.63634     16.83744     18.64134         0.045268      0.149885      0.050147
     10.20141     16.78376     19.96163        -0.158136      0.515617      0.261897
      9.99807     17.93126     20.74437         0.024666     -0.004466     -0.371635
     10.92061     18.14182     18.17591         0.091185      0.425276      0.275700
     10.85556     19.27994     19.02832        -0.019783      0.034480      0.157836
     10.35833     19.25374     20.39630        -0.041579     -0.241091      0.031438
     10.16767     20.41291      0.15847         0.041514      0.151275      0.250639
      9.64428     20.33416      1.51877         0.163843     -0.280263      0.044431
      9.53938      0.20439      2.36426        -0.257690     -0.251472     -0.043945
     10.53202      0.50540     21.13883         0.114312     -0.314081     -0.009147
     10.20916      1.64048      0.62437         0.085314     -0.368306      0.177384
      9.72413      1.52099      1.92584        -0.024352      0.246820     -0.020013
      9.13948     19.09196      2.26618        -0.076614     -0.179666     -0.252030
     11.31235     20.56752     18.38861         0.357309     -0.023116     -0.314035
      7.02769      7.65007     17.51425         0.255844     -0.303109      0.085406
      7.10624      8.59291     16.50375         0.209423      0.261071     -0.014770
      7.27188      9.95277     16.81080         0.138215      0.243648     -0.043640
      7.11272      8.01455     18.85048         0.188185      0.328508      0.287656
      7.15111      9.38172     19.17484         0.213791     -0.181879     -0.293971
      7.24493     10.39279     18.16981        -0.043063     -0.062667     -0.142964
      6.80098      6.29717     16.93164         0.443823      1.102460     -0.604592
      7.04833      7.86135     15.19343         0.035031     -0.106309     -0.090663
      7.28106     11.85794     18.55389        -0.088885      0.084955     -0.165420
      7.44774     12.93610     17.62096        -0.064556     -0.421799     -0.140145
      7.38480     14.26056     18.06561        -0.030204      0.032339     -0.083182
      7.10945     12.21637     19.91198         0.110237      0.064387     -0.079590
      7.10766     13.54880     20.34740         0.072353     -0.277885      0.080755
      7.20570     14.56345     19.40910         0.064147      0.237693      0.238851
      7.21636     16.04677     19.60071         0.043592     -0.785663     -0.699804
      7.54919     15.56014     17.33659        -0.204035     -0.032257     -0.421337
      7.62157     18.02477     18.05840         0.033671     -0.050463      0.117340
      8.29380     18.43824     16.91408         0.152489      0.432135     -0.022885
      8.63814     19.77323     16.71264        -0.254312     -0.092961     -0.007615
      7.33142     19.05147     18.97872        -0.172452      0.305432     -0.237871
      7.48110     20.42385     18.63415         0.075205      0.075983      0.015736
      8.17443     20.87509     17.44111         0.011166      0.042548      0.282983
      8.61571      1.03227     16.98021         0.041308     -0.412799     -0.106878
      9.12575      1.33918     15.66876         0.026943      0.339056     -0.349615
      9.50247      2.69033     15.33578         0.145105     -0.263177     -0.085210
      8.64434      2.14503     17.85552        -0.014333      0.230929     -0.335850
      9.04872      3.44671     17.53330         0.112222     -0.383097     -0.227230
      9.50433      3.77590     16.25079         0.205137     -0.200444     -0.222004
      9.44490      0.34333     14.45792         1.040586      1.393283      0.648980
      6.95388      0.10867     19.69226        -0.043757     -0.003828      0.027346
      6.97636     10.86663      6.11955         0.005269     -0.331523     -0.211462
      6.80644     11.32207      7.41451         0.008922      0.066357      0.267299
      6.92700     12.67988      7.73403        -0.006141      0.305461      0.049283
      7.31396     11.73566      5.09536        -0.017338      0.272869     -0.151693
      7.44498     13.09854      5.39782        -0.153758     -0.074121      0.045459
      7.23384     13.62291      6.70350        -0.152812      0.120481      0.146429
      6.91145      9.37548      6.10593        -0.042499      0.863571      0.302381
      6.63504     10.11228      8.29353         0.142977      0.281659     -0.654547
      7.33436     15.12309      6.93547        -0.178325      0.000930      0.182326
      7.10163     15.76543      8.19317        -0.041050     -0.239395     -0.004905
      7.22015     17.16669      8.30557        -0.021674     -0.238427      0.224835
      7.67302     15.97228      5.84533        -0.123726      0.240289      0.160779
      7.69529     17.36946      5.95690        -0.015475     -0.284868     -0.217261
      7.47700     17.95902      7.20444         0.031283      0.254266     -0.156159
      7.70070     19.38314      7.65112        -0.322031     -0.932731      0.129513
      7.25773     18.05927      9.52741         0.161155     -0.039442     -1.629244
      7.59857     20.58265      9.90918         0.077066     -0.026228     -0.321317
      7.12823     20.55056     11.21340        -0.105935      0.601864      0.577638
      6.95019      0.45087     11.99171         0.216147     -0.119837     -0.006831
      7.98629      0.60368      9.48022         0.095277      0.393368      0.362790
      8.03136      1.71485     10.38749        -0.116910     -0.052983     -0.089537
      7.48181      1.73595     11.72191         0.075424      0.114816     -0.036144
      7.41521      2.94733     12.76403         0.120401      0.145935      0.049690
      6.90399      2.91440     14.11316        -0.569891     -0.996426      0.290497
      6.75619      4.03101     14.96965        -0.007480     -0.254011     -0.015890
      7.86241      4.28499     12.51688        -0.004415     -0.433337     -0.005966
      7.64264      5.41882     13.31577         0.079410     -0.055579     -0.218783
      7.06677      5.33632     14.58428         0.094795      0.381519      0.033435
      6.19662      1.69965     14.77007         1.322358      0.244537     -0.954294
      8.69439      2.91268      9.79836         0.585559     -0.027259     -0.381036
      4.04675     11.49907     10.75492         0.164557     -0.211651      0.207309
      3.77512     12.36662      9.71132         0.108724      0.282231     -0.216514
      3.82875     13.75034      9.88164         0.138048      0.186579     -0.011719
      4.38498     11.97908     12.01350         0.188174      0.124547      0.199677
      4.44181     13.37083     12.20694         0.063827     -0.151909     -0.143773
      4.17628     14.29089     11.15193         0.069439      0.104476     -0.111455
      3.84595     10.09717     10.30355         0.039201      0.865879     -0.317640
      3.40005     11.55620      8.51206         0.327214     -0.062692      0.760875
      4.27521     15.78413     11.36604         0.020852      0.060969     -0.153764
      4.08304     16.73296     10.31108        -0.057018     -0.331416     -0.043003
      4.13418     18.10676     10.58699         0.022578      0.030302     -0.010514
      4.62985     16.29184     12.64149         0.042804      0.083430     -0.041801
      4.76246     17.66313     12.88104        -0.011603     -0.153311     -0.049727
      4.40978     18.55384     11.87043         0.211894     -0.040954      0.060412
      4.34401     20.02508     11.87880         0.130175      0.847170      1.640548
      4.15252     19.33838      9.72173        -0.200943     -0.181338     -1.734842
      4.44357      0.63844     10.15200         0.030989     -0.103074      0.078768
      4.81358      0.95742      8.84842         0.004380      0.490437      0.006373
      5.19479      2.25854      8.48107         0.046043     -0.080091      0.149285
      4.40501      1.75485     11.01458        -0.157010      0.099542     -0.075866
      4.72553      3.09103     10.61634         0.068554      0.346352      0.272321
      5.29285      3.40903      9.29863        -0.026032     -0.083725      0.336738
      5.90987      4.79320      8.73289        -0.015968     -0.222354     -0.093248
      6.43898      5.11487      7.41221        -0.104219     -0.112827      0.037322
      6.68710      6.45804      6.98131         0.060910     -0.501675      0.093011
      5.85887      5.94827      9.52033         0.456733      0.691293     -0.527287
      6.16310      7.26367      9.13292        -0.054633     -0.937908     -0.010525
      6.52545      7.56884      7.82868         0.080140      0.140143      0.207480
      6.54495      4.06231      6.30848        -0.337548     -0.199583     -0.093230
      4.47390      4.06393     11.81384         0.245655     -0.457794      0.110513
      1.10296     14.32502      0.80395        -0.046073     -0.324208     -0.228984
      1.69265     14.74702      1.98605         0.155386     -0.013343      0.407362
      1.67962     16.12391      2.32630        -0.026693      0.172652      0.142323
      0.66616     15.21125     21.08947         0.043160      0.525712      0.125448
      0.73485     16.57586      0.11861        -0.161621     -0.430634      0.165865
      1.13374     17.07597      1.38545         0.079820     -0.128421      0.166761
      1.10340     12.85038      0.71854        -0.215029     -0.203881      0.115511
      2.33105     13.47728      2.61457        -1.515079      0.276461     -2.067405
      0.98971     18.57456      1.59066         0.111799      0.034252      0.064283
      1.35555     19.27027      2.78342         0.086031     -0.363410      0.059215
      1.18345     20.65844      2.84421         0.049531     -0.067459      0.042807
      0.50740     19.37350      0.50765        -0.035764      0.185106      0.126327
      0.34379     20.76218      0.59285        -0.202965     -0.332685     -0.529083
      0.65936      0.12354      1.77989         0.015223      0.201459      0.155091
      0.65538      1.57858      2.09213         0.156321     -1.131158      0.151311
      1.60459      0.38405      3.89302        -0.513410     -0.162393     -1.125791
      1.43376      2.94715      4.04874        -0.204125      0.023581     -0.294263
      1.98964      2.94977      5.31064        -0.084875      0.403989      0.018013
      2.12820      4.10511      6.05406        -0.098518      0.413273     -0.315781
      1.02352      4.21176      3.57871         0.010941      0.002618      0.256061
      1.19428      5.38950      4.35029         0.120681     -0.198144      0.292888
      1.82202      5.43917      5.64397         0.019115     -0.062784      0.186744
      2.16059      6.71399      6.50013         0.041727     -0.134161     -0.000703
      2.65841      6.66528      7.83910        -0.091654     -0.303450     -0.103562
      3.14960      7.75426      8.58397         0.033830     -0.489805      0.121002
      2.11476      8.07815      6.07867         0.086132      0.061940      0.344367
      2.58230      9.18343      6.81830        -0.345311     -0.531887     -0.409739
      3.10418      9.05313      8.10869         0.084566      0.621908     -0.242948
      2.90206      5.36300      8.53771        -0.539279      0.456020     -0.736048
      0.56628      6.59275      3.73589        -0.474560      0.122967     -0.367645
      4.70060     14.09401      0.67983        -0.073058     -0.341745      0.127797
      4.03902     14.99971     -0.13770        -0.157626      0.075227     -0.128681
      4.01645     16.38150      0.20366        -0.002322      0.226245      0.000124
      5.39796     14.53161      1.80295         0.020190      0.123959      0.127490
      5.41832     15.89395      2.12173        -0.097780      0.032724     -0.173310
      4.71176     16.87983      1.37061        -0.074429      0.002547     -0.251106
      4.54052     12.68838      0.17203        -0.351395      0.636295     -0.299921
      3.43204     14.16495     19.97438         0.593843     -0.361499      0.957962
      4.76592     18.35663      1.83898        -0.117224      0.326270     -0.101182
      4.09874     19.47133      1.20666         0.004941     -0.340296     -0.178950
      4.25471     20.79320      1.69152        -0.024490     -0.115281     -0.217238
      5.55596     18.70686      2.97885        -0.092749      0.048201     -0.036237
      5.71057     20.02339      3.45058         0.039629     -0.300132      0.022773
      5.05205     21.05599      2.79524         0.167991      0.063767      0.207742
      5.09688      1.26794      3.07988        -0.423650     -0.618120     -0.640070
      3.73975      0.87985      1.20574         0.520615     -0.288347      0.591036
      3.95501      3.32528      2.08229         0.343386      0.049581      0.417703
      3.08229      3.90446      1.16878        -0.348064      0.331997     -0.086124
      2.75389      5.26731      1.17158         0.043202      0.588815     -0.054288
      4.41403      4.25902      3.03486         0.121068      0.003783     -0.264303
      4.17169      5.65950      2.90674         0.013268     -0.304365      0.295920
      3.37447      6.33122      1.95008        -0.093889     -0.147340     -0.400994
      3.15739      7.99152      1.89063        -0.114709     -0.160827     -0.565310
      2.20478      8.58792      0.99251         0.062704      0.342770      0.218711
      1.89034      9.96272      0.88710         0.006866      0.109743      0.044090
      3.71938      9.04085      2.70177        -0.178032      0.334927     -0.550616
      3.32906     10.41799      2.69709         0.061912     -0.824944      0.234554
      2.40590     10.94032      1.78414        -0.402866     -0.181495     -0.016310
      1.46884      7.70296      0.05525         0.085840     -0.216388     -0.688132
      4.82983      6.43912      3.96762         0.482744     -0.071260      0.482723
     18.20051     17.31735     13.48866        -0.233582     -0.230813     -0.217921
     19.25052     17.80161     14.25557        -0.057915      0.090827      0.197729
     19.50917     19.17279     14.36368        -0.102253      0.455995      0.217543
     17.39861     18.19211     12.76361        -0.167133      0.258962     -0.072854
     17.61825     19.57720     12.90132         0.012688     -0.128502      0.032066
     18.66032     20.12102     13.70893        -0.034139     -0.046551      0.136194
     18.15788     15.81566     13.56794         1.058739      1.512554      0.901203
     19.94257     16.62709     14.86630         0.250603     -0.049171      0.513989
     18.78509      0.36950     13.92116         0.131960     -0.060224      0.238152
     19.80762      0.96455     14.73432        -0.143285     -0.510359      0.047191
     19.75855      2.32547     15.06497         0.054826     -0.184371      0.164521
     17.79506      1.25037     13.41109        -0.070481      0.119660      0.181772
     17.79498      2.63122     13.69541        -0.191490     -0.214550     -0.139776
     18.78322      3.15148     14.53421        -0.335643      0.368648     -0.101939
     18.99033      4.55306     15.05055         0.184820     -1.275044      0.031988
     20.55637      3.14197     16.05578        -0.072650     -0.353357     -0.059700
     20.64073      5.63590     16.65267         0.510190     -0.001525     -0.006231
      0.69404      5.60057     17.13978        -0.040977      0.339925     -0.057364
      1.36531      6.77916     17.47425         0.233954      0.266321      0.263226
     20.07149      6.91763     16.68290        -0.235338     -0.132262      0.006599
     20.67706      8.02782     17.31728         0.168181      0.610455      0.117406
      0.80716      8.05502     17.73481        -0.079877     -0.272284      0.033134
      1.69326      9.20871     18.38194        -0.634123     -0.009548     -0.352393
      3.01098      9.11106     18.94937         0.490189      0.232562      0.690342
      3.66403     10.21627     19.62398         0.215061      0.219598     -0.271873
      1.16882     10.51039     18.57671         0.631966     -0.548533      0.259649
      1.86943     11.61580     19.06610        -0.929669      0.239643     -0.133453
      3.12473     11.54533     19.61819         0.775122     -0.521541      0.338958
      3.98384      7.92774     18.86920        -0.185863     -0.920739     -0.119554
     19.70911      9.18678     17.49438        -0.352555     -0.257039     -0.152687
      2.04248     18.17633     14.09800        -0.115579     -0.372099      0.325359
      1.27741     19.11728     13.42468        -0.032812      0.075700     -0.064572
      1.36228     20.47007     13.75421         0.124275      0.292124     -0.126511
      2.99165     18.55672     15.04768        -0.026719     -0.010534      0.092328
      3.17798     19.92617     15.28676        -0.070357     -0.144351     -0.155573
      2.32161     20.91206     14.71317        -0.308073      0.206461     -0.154874
      1.70527     16.81419     13.59858        -0.571800      2.008113     -0.645987
      0.45002     18.40207     12.39088         0.456501     -0.093619      0.547893
      2.47717      1.12184     15.01386        -0.262937      0.164002     -0.153592
      1.76940      2.13677     14.28317         0.023255     -0.680477     -0.049478
      2.07508      3.47783     14.48100        -0.116122      0.112651      0.092873
      3.40019      1.55745     15.98583        -0.080951      0.267500      0.051126
      3.71228      2.92534     16.15277        -0.037561     -0.269688      0.374717
      3.08051      3.86037     15.35775        -0.161674      0.516618      0.416741
      3.19762      5.35467     15.34303         0.433432      0.184574      0.339236
      1.42587      4.71834     13.99022        -1.272564      0.220540     -0.883447
      1.65081      7.23951     14.52893        -0.025545      0.021041      0.272468
      0.36661      7.55021     14.06965        -0.205407     -0.069251     -0.038800
     21.07021      8.82960     14.14930         0.085814     -0.116081     -0.067739
      2.30797      8.34088     15.12772         0.110961      0.452385     -0.157690
      1.76724      9.66089     15.12868         0.135708      0.458199      0.033585
      0.43778      9.99464     14.63261        -0.125331     -0.132278      0.080584
     20.90807     11.34282     14.63613        -0.048062      0.143757     -0.260695
     19.55584     11.65399     14.14489         0.094466     -0.300540      0.038713
     19.06556     12.97357     14.05474        -0.047947     -0.252683      0.187854
      0.30015     12.53386     15.00295        -0.052758      0.214204     -0.031322
     -0.24062     13.82051     15.05485         0.133950     -0.165615     -0.162641
     19.75134     14.09284     14.55546        -0.059474      0.054498      0.064280
     18.52193     10.67517     13.57361        -0.279251     -0.510644     -0.122040
      2.74046     10.69967     15.70457        -0.046165     -0.021801     -0.005107
     16.09599      0.41826      5.20461         0.019322     -0.261784     -0.131276
     16.90492      0.87636      6.23296         0.066437      0.031880      0.255992
     16.99638      2.24624      6.52382         0.028133      0.272387      0.200585
     15.29112      1.29452      4.50462        -0.063620      0.276841     -0.141298
     15.34283      2.66292      4.80855         0.139328     -0.085061      0.081529
     16.21671      3.19616      5.78400         0.154527     -0.068061      0.247002
     16.35445     20.22586      4.95581         0.234296      0.777137      0.523675
     17.59696     20.92695      6.81340        -0.144667      0.207643     -0.486219
     16.27447      4.70033      6.00748         0.099873     -0.017449      0.237566
     17.13689      5.32188      6.96215        -0.081603     -0.229793      0.139859
     17.08245      6.71067      7.17505         0.022184     -0.259057      0.252917
     15.40756      5.57130      5.29164         0.068961      0.178769      0.112500
     15.39877      6.96253      5.48852        -0.198597     -0.238445     -0.232998
     16.25606      7.52488      6.42301        -0.219442      0.251397     -0.042799
     16.41753      8.95222      6.85663         0.207870     -1.083964      0.033938
     17.69078      7.57179      8.25326        -0.644532     -0.085063     -0.956576
     17.78864     10.11540      8.63736        -0.340454     -0.153207     -0.226892
     18.81349     10.00516      9.55364         0.309408      0.575995      0.309925
     19.41356     11.12906     10.12987        -0.107879     -0.120001     -0.115793
     17.35048     11.43134      8.39197         0.093739      0.355874      0.328045
     17.85211     12.54407      9.12365         0.188779      0.033908     -0.074010
     18.96830     12.46231     10.05474         0.093559      0.012721     -0.059419
     19.74352     13.58729     10.81878        -0.149613      0.215103      0.051550
     20.99238     13.48579     11.55572         0.092667     -0.392380     -0.111343
      0.39661     14.60212     12.10915         0.276879     -0.247533     -0.108127
     19.28399     14.93657     10.85470        -0.257830     -0.262520      0.034881
     19.98688     16.05457     11.32363         0.048627      0.016139      0.155987
     21.22833     15.92031     11.96013        -0.252560      0.053833      0.076745
      0.62653     12.25302     11.73695        -0.090406     -0.142503     -0.228135
     17.13189     13.82514      8.77710        -0.348724      0.130098      0.068629
     20.37680      1.30162      6.11691         0.139498     -0.149755      0.040471
     19.82601      2.35135      5.38480        -0.174598      0.218042     -0.062770
     19.85438      3.65515      5.83617        -0.104654      0.154739      0.154181
     20.89233      1.53132      7.38679         0.108941      0.020079      0.217216
     20.92373      2.85202      7.86402        -0.130018     -0.245450     -0.055094
     20.43670      3.94007      7.09506        -0.109906      0.489606      0.164889
     20.19512      0.04202      5.33652        -0.711281      1.105965     -0.259442
     19.10169      1.79813      4.20120         0.584709     -0.588440      0.589940
     20.53484      5.37079      7.55321        -0.104696      0.185845      0.080681
     20.14819      6.42420      6.69030        -0.118739     -0.124360      0.132326
     20.42508      7.75239      7.02787        -0.225544     -0.079986      0.042390
     -0.19222      5.74649      8.81025        -0.197916     -0.010599      0.106306
      0.15855      7.07196      9.10923        -0.300317     -0.257468      0.093403
     21.11421      8.06264      8.18533        -0.172972      0.116858      0.217811
      0.09651      9.53003      8.22476        -0.946749     -1.284433     -0.907639
     20.07955      9.03774      6.35156        -0.284779     -0.284162     -0.335289
     20.42981     11.49988      6.90172        -0.036303     -0.164345     -0.077908
     19.55830     11.90207      5.89181        -0.114228      0.415024     -0.021326
     19.21591     13.23703      5.67742         0.174641      0.014333      0.102880
     20.96165     12.54749      7.67193         0.048934      0.492957     -0.193309
     20.68117     13.90956      7.36696         0.259810      0.150011      0.110680
     19.73430     14.36264      6.36274         0.082350     -0.019232     -0.002500
     19.21265     15.81438      6.08037        -0.016451      0.061594     -0.128872
     18.33828     16.25133      5.01315         0.110731     -0.196685     -0.263384
     17.81433     17.56577      4.90575         0.265494     -0.247702     -0.045999
     19.48598     16.91508      6.93552        -0.124516      0.063042     -0.166573
     18.90563     18.18583      6.89886         0.166726     -0.573399     -0.063132
     18.00297     18.53691      5.90235        -0.049880      0.157286     -0.057232
     17.77960     15.32909      3.93886         0.016143     -0.006012     -0.323936
      0.26918     14.87285      8.17254         0.249509     -0.000983     -0.197547
     12.52566      5.26784      4.08574         0.138966     -0.200213     -0.424841
     12.96772      3.73508     20.59416         0.220811     -0.009829      0.025837
     12.95474      6.13179     21.07965        -0.058915     -0.162341      0.228180
     12.59853      7.46005      4.41786         0.278841      0.225143     -0.279814
     13.21862      7.92676      0.11248        -0.101446     -0.009154      0.247319
     13.52972     10.33245      0.40469        -0.022117     -0.168058      0.185659
     13.09879     13.54651      8.50650         0.202777     -0.036220      0.016901
     13.06174     11.73565      7.07106         0.019953     -0.571570      0.254831
     14.21217     14.22316      3.78527         0.092430     -0.121152      0.244476
     12.95659     17.15223     11.43196         0.061872      0.083702     -0.146056
     14.74543     17.72224      6.93723         0.251677     -0.132310      0.054328
     14.73262     19.53925      8.35347         0.254094      0.210816      0.055448
     10.13037      6.87636      3.29302        -0.284471     -0.263260      0.187332
      9.52036      3.47119      6.88994         0.275538      0.184041     -0.203896
      9.61770      5.85166      7.52003         0.228670     -0.051270     -0.345996
     10.35407      8.75965      3.81259        -0.184501      0.190273      0.145210
      9.70425      7.71672      8.00117         0.156975      0.154728     -0.332312
      9.91769     10.08641      8.63160        -0.030833     -0.056142     -0.264298
     12.26830     15.79252      2.52809        -0.013087      0.046607     -0.270093
     11.54950     13.65825      3.01230        -0.160687     -0.270083     -0.298250
     10.57065     14.89282      6.96505        -0.208460      0.108189     -0.176490
     12.98139     20.22836      1.07052         0.219420      0.078820      0.142231
     11.63851     19.21872      5.63547        -0.097598     -0.093451      0.163512
     11.93155      0.16720      5.04152         0.132889      0.254831      0.357833
      9.95216      9.24484     17.30248         0.342863     -0.254570     -0.473699
     10.19950      7.76482     12.54309         0.209566     -0.082946      0.075941
     10.23510     10.14338     13.03550         0.064499     -0.273728      0.371602
     10.01310     11.38171     17.69085         0.323723      0.313000     -0.263183
     10.53401     12.02486     13.39101        -0.029259     -0.040536      0.313827
     10.76883     14.43205     13.76896         0.002334     -0.234222      0.197873
      9.54755     17.70876      0.43637        -0.004398      0.072875     -0.093289
      9.98199     15.84127     20.42535        -0.160020     -0.469382      0.151029
     11.10799     18.31126     17.11313         0.358127     -0.075667      0.345942
      9.34348      0.05538      3.42306        -0.290767     -0.010291     -0.237072
     11.16065      0.74928     20.30008        -0.124004     -0.147896     -0.070581
     10.43184      2.61003      0.21447         0.136972      0.361173     -0.188196
      7.52325     10.66759     16.01287        -0.475247     -0.186902      0.110967
      7.02215      7.26590     19.64487         0.238825      0.104465     -0.224918
      7.06824      9.63377     20.24190         0.222231      0.006659     -0.357259
      7.67045     12.72567     16.56514        -0.280341      0.126763      0.237282
      6.91312     11.45102     20.67282         0.261850      0.217383     -0.248166
      6.98374     13.75830      0.15141         0.251594      0.062874     -0.211125
      9.39844     19.92304     15.97675         0.104245     -0.015594     -0.287906
      8.70901     17.72276     16.23268         0.072869     -0.365306     -0.393410
      7.06020     18.79221     20.00086        -0.414244      0.074804     -0.214367
      9.70868      2.90744     14.28522         0.360866     -0.101984      0.325660
      8.40268      2.02262     18.89654        -0.257840     -0.112918      0.138389
      8.98089      4.20335     18.28963         0.048149      0.319814      0.477348
      6.81002     13.01212      8.77471         0.017035     -0.122387     -0.227142
      7.52955     11.36538      4.08828        -0.121190      0.031363      0.063859
      7.76205     13.75352      4.57869        -0.180897     -0.091370      0.191844
      6.84444     15.17159      9.08355         0.158964      0.179863     -0.196362
      8.01161     15.54525      4.89087        -0.291872      0.156339      0.255355
      8.04550     17.95011      5.09872        -0.302039      0.028066      0.188397
      6.28473      0.27921     12.81953         0.338117      0.049136      0.271250
      6.81812     19.60680     11.62409        -0.224009     -0.306325      0.280816
      8.20597      0.78894      8.42928         0.282693     -0.144359      0.220141
      6.43997      3.87859     16.00150        -0.064763      0.010613     -0.392864
      8.36741      4.53430     11.60577         0.139397     -0.035991     -0.108826
      7.88929      6.37768     12.87389         0.183179      0.163213      0.059490
      3.57340     14.41696      9.04924         0.107625     -0.257840      0.119420
      4.57446     11.28952     12.84765        -0.003802      0.206425     -0.307310
      4.68386     13.71978     13.22023        -0.038638     -0.018510     -0.335424
      3.90742     16.36482      9.29455        -0.024657      0.255200      0.084053
      4.74579     15.61658     13.50021         0.234039      0.179254     -0.367337
      5.14005     18.01067     13.84123        -0.088370      0.068139     -0.028314
      5.43769      2.31294      7.44032         0.156332      0.063757     -0.171370
      4.87367      0.19671      8.09437        -0.099860     -0.363370     -0.423601
      4.22165      1.58362     12.07511        -0.345133      0.034432     -0.373702
      6.93050      6.64394      5.93405         0.205381     -0.215926      0.364479
      5.47979      5.92612     10.50393        -0.123640     -0.156752      0.573240
      6.02017      8.03000      9.86534        -0.021212      0.443293      0.422718
      2.11141     16.47470      3.28828        -0.281179     -0.258782     -0.503044
      0.38029     14.88367     20.09277        -0.223547     -0.143001      0.027896
      0.45800     17.26421     20.57943        -0.053682     -0.188779      0.095354
      1.82777     18.74005      3.63045        -0.309484      0.219607     -0.273183
      0.27028     18.93556     20.79293        -0.001030      0.046860      0.275082
      0.01722      0.09275     20.98487         0.005888     -0.172099      0.172113
      2.48668      3.82706      7.01344         0.017323      0.191884     -0.081375
      2.29908      2.03381      5.76256         0.176677     -0.555077      0.325441
      0.56846      4.30933      2.60019        -0.122473     -0.111906      0.122334
      3.60749      7.56859      9.55037        -0.370008      0.053412     -0.034979
      1.70438      8.37756      5.12978         0.025400     -0.157853     -0.108476
      2.47914     10.16190      6.37556        -0.007164      0.261845     -0.171193
      3.40748     17.07655     20.86149         0.372410     -0.238731      0.041473
      5.93883     13.81871      2.43053        -0.065583      0.005195     -0.005557
      6.02842     16.17332      2.98579        -0.223005      0.039247     -0.102552
      3.44019     19.29196      0.34200         0.305458      0.132649      0.173909
      6.13918     17.94705      3.51255        -0.288353      0.125955     -0.145245
      6.37899     20.23552      4.29301        -0.149788     -0.057352     -0.046458
      1.89024      5.41182      0.54551         0.234617      0.171406     -0.065103
      2.49397      3.27610      0.51867        -0.066059     -0.102086     -0.346634
      4.93062      3.91096      3.92575         0.102911      0.091306     -0.377727
      1.26404     10.28647      0.04399        -0.039705     -0.276617      0.592533
      4.47708      8.87193      3.44433         0.229629     -0.120918     -0.146655
      3.74652     11.03083      3.49747         0.137619      0.102861     -0.219737
     20.36855     19.52051     14.95430        -0.342645     -0.175491     -0.007411
     16.61713     17.81617     12.08462         0.126837      0.116271      0.288918
     16.91959     20.22980     12.36185         0.296840     -0.058981      0.082184
     20.62290      0.33674     15.11615        -0.236153      0.180251      0.150302
     16.95186      0.84776     12.82673         0.350363      0.210731      0.149333
     16.98169      3.25148     13.29640         0.258017      0.014332      0.094123
      2.43882      6.68753     17.43774        -0.103864     -0.105073      0.434255
      1.25431      4.67891     17.14422         0.188150     -0.272845     -0.045910
     19.15377      7.08631     16.13172        -0.300316     -0.023554      0.354386
      4.62401     10.03319     20.15510        -0.764997      0.099900     -0.550265
      0.15470     10.72755     18.35904        -0.642947      0.092954     -0.371117
      1.34549     12.56296     19.02495        -0.078737      0.128578      0.022215
      0.73448     21.19825     13.21627         0.192111     -0.306927      0.161622
      3.62868     17.80167     15.54447        -0.306858      0.340827     -0.196767
      4.10190     20.19457     15.81585        -0.490303      0.162973      0.219790
      0.98976      1.83925     13.57119         0.195015      0.261657      0.063027
      4.04242      0.82157     16.49855        -0.613574      0.338268      0.089037
      4.51454      3.22131     16.83208        -0.392377      0.064883      0.114461
     20.05066      8.85954     13.80595        -0.111516      0.072773      0.022297
     20.96803      6.75621     13.74189        -0.023274     -0.103807     -0.320471
      3.22362      8.19853     15.70710         0.002388     -0.035809     -0.526420
     18.14403     13.11418     13.50203        -0.115746      0.097707      0.308636
      1.36085     12.55715     15.17122        -0.072528     -0.146675      0.067314
      0.42641     14.62132     15.32636         0.136221      0.229023      0.262945
     17.71877      2.59169      7.27679        -0.321923     -0.155612     -0.029868
     14.63431      0.91902      3.72230         0.236301      0.035503      0.056760
     14.67636      3.33159      4.25847         0.320638     -0.122639      0.074321
     17.85946      4.72218      7.53210        -0.337217      0.147242      0.022986
     14.69405      5.17432      4.56176         0.230227      0.039594      0.163790
     14.68138      7.58308      4.94542         0.275530     -0.082083      0.028465
     20.33355     10.86836     10.60968        -0.023226      0.154524      0.331211
     19.21923      9.03934      9.78489         0.218141     -0.399515      0.181366
     16.63680     11.63491      7.59913        -0.116820     -0.133639      0.210720
      1.30622     14.44326     12.68997        -0.266990     -0.050771     -0.347796
     18.30121     15.19199     10.47150         0.109053     -0.188201     -0.007806
     19.55950     17.03532     11.14714        -0.085629      0.100997      0.035647
     19.36526      4.42929      5.23881         0.132959     -0.125569      0.017694
     21.22692      0.69527      8.01589         0.046940      0.218472     -0.174024
      0.10108      3.00989      8.85310        -0.177729      0.074890     -0.101350
     19.69825      6.18940      5.72793        -0.152533      0.152691      0.340861
      0.04720      4.97376      9.54523        -0.325908      0.286486     -0.017485
      0.66012      7.30306     10.04461        -0.023047      0.075943      0.180670
     18.46911     13.32874      4.91883        -0.185599      0.195190     -0.148614
     19.06777     11.15720      5.29128        -0.125340     -0.180866     -0.307974
      0.32276     12.33879      8.54363         0.083332      0.022043     -0.409586
     17.13769     17.76604      4.07804         0.241040      0.065311      0.090607
     20.16201     16.82296      7.75195         0.225597     -0.108451      0.131893
     19.18574     18.89143      7.66089         0.084006      0.208304      0.304901
     13.96038     19.31969     10.76879        -0.047814      0.090298      0.051755
     18.87669     21.01111      3.67973        -0.030728     -0.324118     -0.477314
     12.72009      1.19789      2.67455        -0.124391     -0.045040     -0.080005
     13.63503     11.59309      4.44221        -0.032062      0.562035      0.250873
      9.59279      2.64334      2.81423         0.010355     -0.503316     -0.069153
     10.51098     12.71147      5.34382         0.163121     -0.014135     -0.041089
      9.87631      5.16029     15.89522         0.118304      0.067628      0.074187
     10.68071     15.65582     17.81946        -0.069366     -0.273770     -0.222064
      6.91278      6.45575     15.49096         0.203611     -0.382795      0.257143
      7.41893     16.62155     18.31146         0.068382      0.033027     -0.089664
      6.65743      8.95236      7.43191         0.015198     -0.244799      0.002791
      7.54790     19.39873      9.07367         0.042695      0.238950      0.108032
      3.49458     10.17703      8.90181         0.010154     -0.479758      0.120385
      4.21604     20.50831     10.56624         0.065227      0.122116     -0.294057
      2.01486     12.35012      1.70815        -0.381053     -0.154787     -0.212571
      1.23869      1.69773      3.37560         0.143392      0.612155      0.333267
      3.70954     12.73642     20.26310         0.230302      0.062889      0.441307
      4.21577      1.89824      2.14172         0.121417      0.119886     -0.144018
     19.27272     15.43798     14.40467        -0.029284      0.006973     -0.067020
     20.05967      4.48553     16.00103        -0.138056      0.319190      0.001537
      0.72001     17.00019     12.55417        -0.366643     -0.316922      0.039818
      2.12587      5.86425     14.55058        -0.335858     -0.095004     -0.195495
     17.34307     19.81845      5.90400         0.024884     -0.035838     -0.023114
     17.32319      8.93791      7.94578         0.074462      0.362977      0.361107
     19.38300      0.42372      4.23292         0.414777      0.277616      0.409030
     20.67270     10.09804      7.11366        -0.175151      0.383943     -0.145638
     12.34837      2.29201      4.75894        -0.083556     -0.065011     -0.085181
     13.36937      1.00008      0.41074         0.373449     -0.526175     -0.677348
     13.24340      9.88149      6.04437        -0.169394     -0.074809      0.391940
     13.77677     12.60280      2.30650         0.303707      1.692832     -1.046039
      9.79483      4.50499      1.35557        -0.052688     -0.019876     -0.443670
      9.31927      1.47992      4.87657        -0.087054     -0.495056      0.119911
     10.52371     11.65203      3.20211        -0.004975      0.144886      0.733854
     10.21865     12.89543      7.68120        -0.117924      0.800001      1.121619
      9.75154      6.31802     17.98659         0.001630     -0.336112      0.651015
     10.58049      4.90285     13.62810        -0.381687      1.101025      1.554976
     10.34786     13.90275     19.40390         0.058655     -0.099429      0.532174
     10.92668     16.65701     15.70156         0.209379      1.025322     -0.813048
      7.11254      8.33804     14.07286        -0.042511     -0.013307     -0.134397
      6.59635      5.27693     17.54098        -0.161095     -0.855299      0.385741
      7.74581     15.70609     16.13414        -0.154171      0.059214      0.374063
      7.08986     16.65173     20.64137        -0.107242      0.490545      0.688517
      6.55085     10.11933      9.50249         0.072944     -0.196646      0.667494
      7.10305      8.65971      5.14716         0.053283     -0.451178     -0.562744
      7.09868     17.70342     10.66289         0.032991     -0.282855      1.528379
      7.98794     20.32493      6.94926        -0.001889      0.754145     -0.328681
      3.09052     11.97405      7.41889        -0.189766      0.174664     -0.805319
      3.95324      9.09603     10.97875        -0.054775     -0.579607      0.173231
      4.18863     19.35310      8.48818        -0.124861      0.068252      0.888446
      4.37913     20.73286     12.89696        -0.017959     -0.671655     -1.032011
      2.96678     13.37649      3.60853         1.302647     -0.171032      2.055060
      0.38356     12.19921     21.22776         0.189634      0.066951      0.264332
      2.16270      0.12970      4.93060         0.513563      0.048529      0.809905
      0.25828      2.47591      1.38341        -0.338215      0.683625     -0.360613
      2.86598     14.56043     18.99055        -0.506169      0.292555     -0.883157
      5.03821     11.68841      0.65891         0.091379     -0.389802      0.135649
      3.06975      1.10196      0.22654        -0.401414      0.202176     -0.702205
      5.76809      1.82353      3.91679         0.451192      0.382041      0.519701
     -0.36100     16.66484     15.64188        -0.448381     -0.104557     -0.306309
     17.35704     15.08459     13.05984        -1.138641     -1.014501     -0.520367
      0.17014      2.72615     16.79958        -0.063189      0.128504      0.182299
     18.37630      5.53751     14.72110        -0.449770      0.971023     -0.170659
     20.96898     18.89621     11.56582        -0.295895      0.091017     -0.483910
      2.19299     15.77631     13.94562         0.565310     -1.589608      0.674358
      0.40743      4.76424     13.28241         1.070285      0.115212      0.561425
      4.03581      6.04322     15.92277        -0.449780     -0.357686     -0.425519
     18.23747     20.87231      7.84227         0.235427     -0.102642      0.386343
     15.86687     19.53978      4.08489        -0.273865     -0.485486     -0.592481
     18.28484      7.17962      9.22543         0.423621     -0.152520      0.992989
     15.88896      9.92974      6.38272        -0.114395      0.814399     -0.419765
     18.37556      2.34883      3.40636        -0.482405      0.547606     -0.680485
     20.60977     20.18416      5.52682         0.383293     -0.989750      0.278763
     19.37759      9.16160      5.35584         0.034477      0.088584      0.177059
      0.73561     10.12223      9.04430         0.785698      1.003571      1.179623
     13.85136     17.54523      5.28828         0.098847     -0.071458      0.068902
     15.77984     16.59401      5.58547        -0.091811      0.070267      0.005969
     14.64163     16.30622      3.71017         0.028435     -0.028127      0.579424
     11.98346     15.34755     11.40019        -0.036547     -0.060172      0.110926
     11.41863     14.58880      9.45664         0.232248      0.080415     -0.046621
     13.30325     13.92118     10.42011        -0.154559      0.200370      0.059886
     11.90262     18.08118      7.25434        -0.189729     -0.159217     -0.150771
      9.93560     18.41078      6.40455         0.335643      0.121731      0.009293
     10.26854     16.78114      7.83048         0.002059      0.112809     -0.101034
     13.11202     18.43178      0.08013        -0.144887      0.153361      0.111447
     14.01978     16.98349      1.38116        -0.294234      0.176114      0.366135
     11.88030     16.83639      0.91418         0.493127      0.230889      0.135480
     10.41901      0.32471     18.57722         0.480623     -0.097607     -0.243832
     12.51739     -0.24242     18.88756        -0.136195     -0.192176     -0.002306
     11.48332     20.49090     17.03092         0.211605     -0.158915      0.355662
      8.93613     19.33892      3.59133        -0.277073     -0.017537      0.089510
      7.93352     18.68047      1.74901         0.034893      0.119010     -0.159810
      9.90326     17.94458      2.28015        -0.282579      0.389730     -0.142267
      7.96576      0.74717     20.37626        -0.464587      0.066817     -0.061452
      6.13713      1.07885     19.17364         0.103783     -0.053247     -0.002653
      6.22485     20.74162     20.66774        -0.018111      0.011090     -0.168629
      9.49456      1.03731     13.29977        -0.139370      0.404900     -0.563852
     10.74461     21.19170     14.61760         0.426139     -0.452914      0.363798
      8.73727     20.49632     14.18047        -0.382485     -0.267351     -0.035886
      7.94973      4.05814      9.82251         0.400586     -0.074509     -0.068482
      9.89096      3.21331     10.41091        -0.147244     -0.048743      0.025168
      8.98817      2.73646      8.47239         0.292174     -0.156457      0.464548
      6.03872      1.89483     16.08261        -0.129369     -0.083280      1.011981
      5.01115      1.55406     14.15569        -0.047007     -0.575180      0.185649
      6.76498      0.44164     14.74110        -0.055372      0.292290     -0.211306
      5.48083      4.95712     11.99162        -0.402409      0.171299      0.126623
      3.31748      4.80487     11.86471        -0.050826     -0.395814     -0.162145
      4.42439      3.37331     12.98582        -0.082716      0.295721     -0.383963
      7.14016      4.47828      5.15387        -0.098657      0.077227      0.298298
      7.21791      2.92378      6.64133         0.029737      0.105139      0.221145
      5.27302      3.62981      5.95103         0.366449     -0.410382      0.305789
     -0.35428      7.23513      4.50173         0.052731      0.083184     -0.113892
      1.45937      7.57942      3.43257        -0.358831     -0.165919     -0.194994
     -0.11594      6.28006      2.61375        -0.365214     -0.152912      0.283950
      3.32524      5.53326      9.77616         0.333448      0.277495      0.571266
      1.88626      4.44384      8.69818         0.061725     -0.054137      0.009842
      3.83212      4.72981      7.79162         0.288312     -0.171030      0.067116
      5.96808      7.02400      3.46707        -0.044589      0.100945      0.117165
      4.06793      7.39631      4.56445         0.044405      0.046266     -0.030376
      5.17307      5.67098      5.02311        -0.328066      0.608438     -0.437814
      0.71906      8.30562     20.36620        -0.381611      0.483465      0.411668
      2.40860      6.94499     -0.61432        -0.875030      0.369054     -0.077213
      0.58317      6.85510      0.62078        -0.067718     -0.071272     -0.107850
     19.50688      9.43561     18.82574        -0.001090      0.146088     -0.000870
     20.11091     10.36473     16.91239        -0.215591     -0.111183      0.331547
     18.47199      8.94510     16.95155         0.242737     -0.002155      0.400809
      4.84310      7.91786     19.92011         0.102409      0.508236      0.335623
      3.64483      6.57759     18.83341         0.095471      0.715140     -0.397914
      4.66593      8.10314     17.69084        -0.295847      0.113485      0.135677
      3.34066     11.46714     14.72678        -0.207427     -0.023975     -0.158641
      2.16517     11.59768     16.56607         0.502370     -0.173146     -0.396076
      3.78205     10.17068     16.40067         0.043083     -0.152850     -0.236677
     17.40407     11.28857     13.07434         0.151702     -0.000867      0.039108
     18.99101      9.91446     12.51124        -0.258039      0.157980      0.498264
     18.03048      9.77706     14.49786         0.433979      0.261747     -0.173286
     16.36278     14.26691      9.84106         0.166651     -0.065917     -0.219101
     17.94370     14.86931      8.42686        -0.109507     -0.041756      0.151517
     16.28072     13.68674      7.71951         0.091054      0.021716      0.160500
      1.61375     12.46339     12.63843         0.331524     -0.007191      0.198561
      0.06337     11.06523     12.14560         0.172820      0.391095     -0.397368
      1.26568     11.95833     10.57013        -0.203279      0.194418     -0.104622
      1.02902     15.68939      7.36422        -0.069122     -0.095509     -0.020973
     20.79837     15.70044      8.97677         0.455513     -0.014038     -0.088913
      1.15225     14.27424      9.02998        -0.051385     -0.016984     -0.381807
     17.06493     15.96869      2.97473         0.298582      0.141651     -0.103359
     18.74964     14.63796      3.25171         0.051409      0.015326      0.090723
     16.89352     14.39139      4.45294         0.300197      0.125731     -0.148229
 -----------------------------------------------------------------------------------
    total drift:                                0.009479      0.020097      0.004031


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4555.9525727160 eV

  energy  without entropy=    -4556.1019972528  energy(sigma->0) =    -4556.00238089
 
 d Force = 0.2071048E+01[-0.224E+00, 0.437E+01]  d Energy = 0.2091044E+01-0.200E-01
 d Force = 0.1423974E+04[ 0.141E+04, 0.144E+04]  d Ewald  = 0.1424005E+04-0.305E-01


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -2.091044  1 .order   -2.071048   -4.365809    0.223714
  (g-gl).g = 0.121E+02      g.g   = 0.122E+02  gl.gl    = 0.137E+02
 g(Force)  = 0.122E+02   g(Stress)= 0.000E+00 ortho     =-0.133E-01
 gamma     =   0.88283
 trial     =   0.35942
 opt step  =   0.34233  (harmonic =   0.34190) maximal distance =0.06124427
 next E    = -4555.957891   (d E  =  -2.09636)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   33(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3184
 total energy-change (2. order) : 0.2270790E-02  (-0.3420196E+00)
 number of electron    2498.0000004 magnetization 
 augmentation part      162.8595954 magnetization 

  free energy =  -0.455595029753E+04  energy without entropy=  -0.455609979500E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   33(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) :-0.7577514E-02  (-0.9308535E-02)
 number of electron    2498.0000004 magnetization 
 augmentation part      162.8576596 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8539
  0.8539

  free energy =  -0.455595787505E+04  energy without entropy=  -0.455610733169E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   33(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3632
 total energy-change (2. order) : 0.2089666E-03  (-0.1812334E-03)
 number of electron    2498.0000004 magnetization 
 augmentation part      162.8558992 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3874
  1.1334  1.6414

  free energy =  -0.455595766608E+04  energy without entropy=  -0.455610717602E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   33(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3568
 total energy-change (2. order) :-0.1680136E-03  (-0.1495625E-03)
 number of electron    2498.0000004 magnetization 
 augmentation part      162.8564133 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2682
  2.1479  0.9215  0.7353

  free energy =  -0.455595783409E+04  energy without entropy=  -0.455610744391E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   33(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3648
 total energy-change (2. order) :-0.4244593E-04  (-0.3178115E-04)
 number of electron    2498.0000004 magnetization 
 augmentation part      162.8568847 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3140
  2.3542  1.0011  1.0011  0.8997

  free energy =  -0.455595787654E+04  energy without entropy=  -0.455610748043E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   33(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3352
 total energy-change (2. order) : 0.1131653E-04  (-0.1819493E-04)
 number of electron    2498.0000004 magnetization 
 augmentation part      162.8568620 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2930
  2.4018  1.1077  1.1077  0.9240  0.9240

  free energy =  -0.455595786522E+04  energy without entropy=  -0.455610748409E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   33(   7)  ---------------------------------------



 eigenvalue-minimisations  :  2432
 total energy-change (2. order) :-0.1269131E-05  (-0.3195596E-05)
 number of electron    2498.0000004 magnetization 
 augmentation part      162.8568620 magnetization 

  free energy =  -0.455595786649E+04  energy without entropy=  -0.455610747728E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.9700       2 -56.1478       3 -56.0661       4 -55.7621       5 -55.8018
       6 -56.2954       7 -58.1007       8 -58.3083       9 -56.2689      10 -55.9760
      11 -55.9837      12 -55.7806      13 -55.7249      14 -55.8815      15 -58.0791
      16 -58.0654      17 -56.2846      18 -54.8873      19 -54.8216      20 -55.1524
      21 -55.6415      22 -55.6484      23 -55.7328      24 -55.6706      25 -55.0471
      26 -54.7908      27 -54.9369      28 -54.9868      29 -60.4185      30 -60.3677
      31 -55.5734      32 -55.7903      33 -55.7164      34 -55.2192      35 -55.5038
      36 -55.9634      37 -57.8458      38 -58.0944      39 -56.0644      40 -55.7865
      41 -55.9184      42 -55.7276      43 -55.7389      44 -55.8621      45 -58.1141
      46 -58.1833      47 -56.4717      48 -55.1210      49 -54.9555      50 -55.3023
      51 -55.9099      52 -55.8428      53 -55.7911      54 -55.8079      55 -55.1683
      56 -54.8566      57 -54.9706      58 -56.3638      59 -60.3993      60 -60.6259
      61 -55.9122      62 -55.9783      63 -55.8978      64 -55.6907      65 -55.7317
      66 -56.2019      67 -57.9650      68 -58.2011      69 -56.2483      70 -55.9502
      71 -56.0589      72 -55.7505      73 -55.6804      74 -55.9065      75 -58.1056
      76 -58.2581      77 -56.4903      78 -55.0582      79 -55.0018      80 -55.3503
      81 -55.8394      82 -55.8758      83 -55.9369      84 -55.9630      85 -55.1604
      86 -55.0645      87 -55.1413      88 -56.4631      89 -60.7278      90 -60.4481
      91 -55.6367      92 -55.7492      93 -55.6737      94 -55.4114      95 -55.5286
      96 -55.9930      97 -57.8734      98 -57.9576      99 -56.0951     100 -55.8781
     101 -55.9856     102 -55.5932     103 -55.6362     104 -55.8752     105 -58.1161
     106 -58.2558     107 -56.5118     108 -55.1144     109 -54.9773     110 -55.3870
     111 -55.8783     112 -55.7942     113 -55.7462     114 -55.8501     115 -55.1857
     116 -54.9023     117 -54.9950     118 -56.3970     119 -60.5028     120 -60.5528
     121 -55.8469     122 -55.9347     123 -55.8304     124 -55.7120     125 -55.7392
     126 -56.1227     127 -58.0211     128 -58.2232     129 -56.0251     130 -55.7119
     131 -55.7869     132 -55.5813     133 -55.5146     134 -55.7104     135 -57.8903
     136 -58.0568     137 -56.3931     138 -55.0239     139 -54.9397     140 -55.2508
     141 -55.7883     142 -55.9043     143 -55.8543     144 -55.8115     145 -55.1104
     146 -55.0087     147 -55.0614     148 -56.3702     149 -60.6191     150 -60.5369
     151 -55.5128     152 -55.6034     153 -55.4970     154 -55.3151     155 -55.4153
     156 -55.8451     157 -57.8475     158 -57.8875     159 -55.9223     160 -55.6940
     161 -55.8848     162 -55.5096     163 -55.5766     164 -55.7745     165 -58.0000
     166 -58.1430     167 -56.5527     168 -55.1464     169 -54.9826     170 -55.3768
     171 -56.0147     172 -56.0189     173 -55.9404     174 -55.8199     175 -55.3031
     176 -54.7928     177 -54.9988     178 -56.3851     179 -60.4675     180 -60.6207
     181 -55.8952     182 -56.0986     183 -55.9730     184 -55.6735     185 -55.6765
     186 -56.2039     187 -57.9755     188 -58.2975     189 -56.1752     190 -55.8289
     191 -55.9217     192 -55.7208     193 -55.6364     194 -55.8159     195 -58.0169
     196 -58.2322     197 -56.4506     198 -54.9576     199 -54.9326     200 -55.3133
     201 -55.8401     202 -55.9533     203 -55.8833     204 -55.8344     205 -55.1946
     206 -55.1494     207 -55.0755     208 -56.4075     209 -60.7739     210 -60.4992
     211 -55.9667     212 -56.1298     213 -55.9720     214 -55.7408     215 -55.7333
     216 -56.2487     217 -58.1296     218 -58.3613     219 -56.1374     220 -55.8212
     221 -55.8888     222 -55.6138     223 -55.4772     224 -55.7569     225 -57.9284
     226 -58.1503     227 -56.3992     228 -54.9335     229 -54.9765     230 -55.1134
     231 -55.6537     232 -55.9453     233 -56.0244     234 -55.6436     235 -55.2277
     236 -55.0950     237 -55.1781     238 -56.4818     239 -60.3080     240 -60.3265
     241 -55.8798     242 -55.9594     243 -55.8489     244 -55.7051     245 -55.7468
     246 -56.1675     247 -58.0642     248 -58.1370     249 -56.1488     250 -55.8284
     251 -55.9309     252 -55.7047     253 -55.6900     254 -55.8422     255 -57.9981
     256 -58.0752     257 -56.3808     258 -55.0521     259 -54.8862     260 -55.1730
     261 -55.7680     262 -55.8324     263 -55.9280     264 -55.9770     265 -55.5126
     266 -54.9626     267 -55.1235     268 -56.4905     269 -60.5602     270 -60.3576
     271 -55.8270     272 -55.9111     273 -55.7577     274 -55.7084     275 -55.6806
     276 -56.0447     277 -58.1634     278 -58.1576     279 -55.8230     280 -55.6301
     281 -55.7137     282 -55.4444     283 -55.3688     284 -55.6602     285 -57.9699
     286 -58.0395     287 -56.5135     288 -55.0493     289 -54.9396     290 -55.3857
     291 -55.8614     292 -55.8303     293 -55.8239     294 -55.8006     295 -55.1252
     296 -54.8597     297 -54.9399     298 -56.3433     299 -60.3687     300 -60.5519
     301 -55.7863     302 -55.9305     303 -55.8090     304 -55.5312     305 -55.5807
     306 -56.0521     307 -58.0345     308 -58.2196     309 -56.0754     310 -55.7513
     311 -55.8595     312 -55.6155     313 -55.5609     314 -55.7592     315 -57.9202
     316 -58.0904     317 -56.3868     318 -54.9648     319 -54.8859     320 -55.2151
     321 -55.7835     322 -55.8263     323 -55.9048     324 -55.8977     325 -55.1610
     326 -55.0974     327 -55.1732     328 -56.4478     329 -60.5643     330 -60.3548
     331 -55.7458     332 -55.7631     333 -55.6386     334 -55.5960     335 -55.5741
     336 -55.9843     337 -57.9395     338 -57.8912     339 -55.7904     340 -55.5013
     341 -55.6378     342 -55.4279     343 -55.4255     344 -55.6026     345 -57.9221
     346 -57.9335     347 -56.3700     348 -54.8753     349 -54.8720     350 -55.2676
     351 -55.7561     352 -55.8222     353 -55.7630     354 -55.6706     355 -55.1539
     356 -54.7593     357 -54.8920     358 -56.3222     359 -60.3497     360 -60.4741
     361 -38.9748     362 -38.7520     363 -38.8917     364 -38.9586     365 -38.8877
     366 -38.6400     367 -38.1010     368 -38.1843     369 -38.1079     370 -38.1507
     371 -38.2261     372 -38.2691     373 -38.7122     374 -38.2648     375 -38.6117
     376 -38.8240     377 -38.7879     378 -38.7231     379 -38.2368     380 -38.2284
     381 -38.2315     382 -38.1177     383 -38.3120     384 -38.1149     385 -38.6939
     386 -38.6642     387 -38.7522     388 -38.7986     389 -38.7757     390 -38.5055
     391 -38.2820     392 -38.2749     393 -38.2246     394 -38.0934     395 -38.2373
     396 -38.3989     397 -38.6661     398 -38.3063     399 -38.6466     400 -38.8002
     401 -38.6178     402 -38.7412     403 -38.3990     404 -38.3015     405 -38.3239
     406 -37.9898     407 -38.1591     408 -38.1045     409 -38.7237     410 -38.7332
     411 -38.9155     412 -38.6244     413 -38.7770     414 -38.4924     415 -38.1556
     416 -38.3224     417 -38.1080     418 -38.1431     419 -38.2215     420 -38.2247
     421 -38.5044     422 -38.1839     423 -38.4822     424 -38.6538     425 -38.5357
     426 -38.6742     427 -38.2341     428 -38.2435     429 -38.3100     430 -38.1806
     431 -38.3645     432 -38.2129     433 -38.7037     434 -38.7051     435 -38.9527
     436 -38.6387     437 -38.9289     438 -38.5439     439 -38.4970     440 -38.2648
     441 -38.2252     442 -38.2581     443 -38.3252     444 -38.1845     445 -38.7928
     446 -38.8100     447 -38.8514     448 -38.6693     449 -38.6663     450 -38.3388
     451 -38.0216     452 -37.9918     453 -38.0289     454 -38.0305     455 -38.1661
     456 -38.1585     457 -38.8007     458 -38.5949     459 -38.8075     460 -38.8079
     461 -38.7658     462 -38.5824     463 -38.1592     464 -38.2720     465 -38.1113
     466 -38.2632     467 -38.3406     468 -38.2368     469 -38.8172     470 -38.6814
     471 -38.7105     472 -38.6971     473 -38.4766     474 -38.3253     475 -38.1888
     476 -38.0683     477 -38.2569     478 -38.0954     479 -38.1772     480 -38.0566
     481 -38.7277     482 -38.6615     483 -38.7753     484 -38.7148     485 -38.7844
     486 -38.6105     487 -38.2080     488 -38.2697     489 -38.1091     490 -38.1681
     491 -38.1540     492 -38.3135     493 -38.7883     494 -38.4824     495 -38.6678
     496 -38.6194     497 -38.4471     498 -38.4847     499 -38.1751     500 -37.9800
     501 -38.1940     502 -38.0685     503 -38.1404     504 -38.0284     505 -38.3481
     506 -41.1716     507 -71.6653     508 -71.5181     509 -71.5144     510 -71.6368
     511 -71.5591     512 -71.5989     513 -71.3555     514 -71.6863     515 -71.6374
     516 -71.4716     517 -71.3692     518 -71.6808     519 -71.5265     520 -71.6758
     521 -71.5718     522 -71.5005     523 -71.5509     524 -71.5476     525 -71.6004
     526 -71.5398     527 -71.5872     528 -71.5132     529 -71.0761     530 -71.4939
     531 -76.9523     532 -76.8129     533 -76.7499     534 -76.8946     535 -76.7636
     536 -76.6043     537 -76.8060     538 -76.8952     539 -76.8868     540 -76.4486
     541 -76.9478     542 -76.8681     543 -76.6015     544 -76.6802     545 -76.8888
     546 -76.8433     547 -76.9232     548 -76.7544     549 -76.8163     550 -76.5826
     551 -76.6065     552 -76.6115     553 -76.6863     554 -76.6181     555 -77.0411
     556 -76.6946     557 -76.9781     558 -76.7485     559 -77.0455     560 -76.8631
     561 -76.8402     562 -76.6354     563 -76.7603     564 -76.8270     565 -76.7000
     566 -76.7214     567 -76.8413     568 -77.0169     569 -76.6253     570 -76.6280
     571 -76.9155     572 -76.7568     573 -76.7971     574 -76.6358     575 -76.5830
     576 -76.6643     577 -76.5688     578 -76.6799     579 -82.5300     580 -82.3616
     581 -82.2807     582 -82.3931     583 -82.3088     584 -82.2319     585 -82.4576
     586 -82.5931     587 -82.5846     588 -82.2788     589 -82.1033     590 -82.2422
     591 -82.5090     592 -82.2495     593 -82.3712     594 -82.7553     595 -82.5536
     596 -82.6093     597 -82.4544     598 -82.4795     599 -82.5448     600 -82.3230
     601 -82.0609     602 -82.6058     603 -82.6887     604 -82.3633     605 -82.5881
     606 -82.8532     607 -82.6691     608 -82.3971     609 -82.6529     610 -82.4230
     611 -82.4928     612 -82.4200     613 -82.3761     614 -82.1370     615 -82.5017
     616 -82.5964     617 -82.4113     618 -83.0746     619 -82.7692     620 -82.8482
     621 -82.2196     622 -82.4649     623 -82.4020     624 -82.3971     625 -82.1814
     626 -82.3534     627 -82.2651     628 -82.3703     629 -82.1721     630 -82.5634
     631 -82.0567     632 -82.4213     633 -82.4211     634 -82.4654     635 -82.5304
     636 -82.2689     637 -82.1813     638 -82.1270     639 -82.1189     640 -82.3510
     641 -82.3062     642 -82.5469     643 -82.4551     644 -82.4097     645 -82.3101
     646 -82.5374     647 -82.4893     648 -82.2721     649 -82.2462     650 -82.2078
 
 
 
 E-fermi :  -1.4351     XC(G=0):  -6.4338     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.5942      2.00000
      2     -29.2604      2.00000
      3     -29.0660      2.00000
      4     -29.0214      2.00000
      5     -28.9955      2.00000
      6     -28.9473      2.00000
      7     -28.9100      2.00000
      8     -28.9060      2.00000
      9     -28.9044      2.00000
     10     -28.8850      2.00000
     11     -28.8705      2.00000
     12     -28.8346      2.00000
     13     -28.8214      2.00000
     14     -28.7862      2.00000
     15     -28.7502      2.00000
     16     -28.7310      2.00000
     17     -28.6975      2.00000
     18     -28.6448      2.00000
     19     -28.5778      2.00000
     20     -28.5526      2.00000
     21     -28.5313      2.00000
     22     -28.5170      2.00000
     23     -28.5100      2.00000
     24     -28.4344      2.00000
     25     -27.3859      2.00000
     26     -27.1250      2.00000
     27     -26.8667      2.00000
     28     -26.7543      2.00000
     29     -26.7470      2.00000
     30     -26.7286      2.00000
     31     -26.6923      2.00000
     32     -26.6905      2.00000
     33     -26.6719      2.00000
     34     -26.6653      2.00000
     35     -26.6073      2.00000
     36     -26.5987      2.00000
     37     -26.5834      2.00000
     38     -26.5675      2.00000
     39     -26.5624      2.00000
     40     -26.5605      2.00000
     41     -26.5585      2.00000
     42     -26.5315      2.00000
     43     -26.5202      2.00000
     44     -26.5065      2.00000
     45     -26.4977      2.00000
     46     -26.4836      2.00000
     47     -26.4773      2.00000
     48     -26.4701      2.00000
     49     -26.4601      2.00000
     50     -26.4565      2.00000
     51     -26.4518      2.00000
     52     -26.4319      2.00000
     53     -26.4063      2.00000
     54     -26.4048      2.00000
     55     -26.3904      2.00000
     56     -26.3857      2.00000
     57     -26.3587      2.00000
     58     -26.3559      2.00000
     59     -26.3405      2.00000
     60     -26.3046      2.00000
     61     -26.2682      2.00000
     62     -26.2635      2.00000
     63     -26.2587      2.00000
     64     -26.2328      2.00000
     65     -26.2115      2.00000
     66     -26.1998      2.00000
     67     -26.1942      2.00000
     68     -26.1868      2.00000
     69     -26.1697      2.00000
     70     -26.1169      2.00000
     71     -26.1102      2.00000
     72     -26.0229      2.00000
     73     -23.4423      2.00000
     74     -23.4341      2.00000
     75     -23.3610      2.00000
     76     -23.3392      2.00000
     77     -23.3281      2.00000
     78     -23.3257      2.00000
     79     -23.3136      2.00000
     80     -23.3071      2.00000
     81     -23.2906      2.00000
     82     -23.2638      2.00000
     83     -23.2555      2.00000
     84     -23.2471      2.00000
     85     -23.2434      2.00000
     86     -23.2196      2.00000
     87     -23.2100      2.00000
     88     -23.1755      2.00000
     89     -23.1425      2.00000
     90     -23.1202      2.00000
     91     -23.0888      2.00000
     92     -23.0875      2.00000
     93     -23.0324      2.00000
     94     -23.0151      2.00000
     95     -23.0048      2.00000
     96     -22.9604      2.00000
     97     -22.9526      2.00000
     98     -22.9463      2.00000
     99     -22.9101      2.00000
    100     -22.9015      2.00000
    101     -22.8965      2.00000
    102     -22.8910      2.00000
    103     -22.8825      2.00000
    104     -22.8458      2.00000
    105     -22.8131      2.00000
    106     -22.7793      2.00000
    107     -22.7721      2.00000
    108     -22.7717      2.00000
    109     -22.7497      2.00000
    110     -22.7445      2.00000
    111     -22.7335      2.00000
    112     -22.7074      2.00000
    113     -22.6804      2.00000
    114     -22.6760      2.00000
    115     -22.6597      2.00000
    116     -22.6196      2.00000
    117     -22.6098      2.00000
    118     -22.4984      2.00000
    119     -22.4134      2.00000
    120     -22.2933      2.00000
    121     -20.5487      2.00000
    122     -20.4833      2.00000
    123     -20.4730      2.00000
    124     -20.4721      2.00000
    125     -20.4627      2.00000
    126     -20.4469      2.00000
    127     -20.3822      2.00000
    128     -20.3783      2.00000
    129     -20.3741      2.00000
    130     -20.3589      2.00000
    131     -20.3561      2.00000
    132     -20.3483      2.00000
    133     -20.3365      2.00000
    134     -20.3353      2.00000
    135     -20.3156      2.00000
    136     -20.2539      2.00000
    137     -20.2281      2.00000
    138     -20.2229      2.00000
    139     -20.2016      2.00000
    140     -20.2003      2.00000
    141     -20.1593      2.00000
    142     -20.1461      2.00000
    143     -20.0804      2.00000
    144     -20.0655      2.00000
    145     -18.5971      2.00000
    146     -18.5491      2.00000
    147     -18.5083      2.00000
    148     -18.5044      2.00000
    149     -18.4746      2.00000
    150     -18.4585      2.00000
    151     -18.4543      2.00000
    152     -18.4279      2.00000
    153     -18.4062      2.00000
    154     -18.3992      2.00000
    155     -18.3559      2.00000
    156     -18.3485      2.00000
    157     -18.2971      2.00000
    158     -18.2466      2.00000
    159     -18.2333      2.00000
    160     -18.2170      2.00000
    161     -18.2113      2.00000
    162     -18.1883      2.00000
    163     -18.1800      2.00000
    164     -18.1588      2.00000
    165     -18.1528      2.00000
    166     -18.1361      2.00000
    167     -18.1081      2.00000
    168     -18.0446      2.00000
    169     -17.9748      2.00000
    170     -17.9353      2.00000
    171     -17.9204      2.00000
    172     -17.9128      2.00000
    173     -17.8720      2.00000
    174     -17.8313      2.00000
    175     -17.8150      2.00000
    176     -17.7805      2.00000
    177     -17.7701      2.00000
    178     -17.7515      2.00000
    179     -17.7266      2.00000
    180     -17.6953      2.00000
    181     -17.6199      2.00000
    182     -17.5736      2.00000
    183     -17.5451      2.00000
    184     -17.5408      2.00000
    185     -17.5354      2.00000
    186     -17.5246      2.00000
    187     -17.5170      2.00000
    188     -17.5094      2.00000
    189     -17.4920      2.00000
    190     -17.4753      2.00000
    191     -17.4549      2.00000
    192     -17.4529      2.00000
    193     -16.7347      2.00000
    194     -16.7305      2.00000
    195     -16.6752      2.00000
    196     -16.6485      2.00000
    197     -16.6220      2.00000
    198     -16.6049      2.00000
    199     -16.5951      2.00000
    200     -16.5500      2.00000
    201     -16.5242      2.00000
    202     -16.5036      2.00000
    203     -16.4914      2.00000
    204     -16.4462      2.00000
    205     -16.1791      2.00000
    206     -16.1682      2.00000
    207     -16.1361      2.00000
    208     -16.1190      2.00000
    209     -16.0822      2.00000
    210     -16.0668      2.00000
    211     -16.0398      2.00000
    212     -15.9989      2.00000
    213     -15.9899      2.00000
    214     -15.9290      2.00000
    215     -15.9077      2.00000
    216     -15.7596      2.00000
    217     -15.7101      2.00000
    218     -15.6704      2.00000
    219     -15.6413      2.00000
    220     -15.6219      2.00000
    221     -15.6067      2.00000
    222     -15.5922      2.00000
    223     -15.5693      2.00000
    224     -15.5509      2.00000
    225     -15.5481      2.00000
    226     -15.5424      2.00000
    227     -15.5038      2.00000
    228     -15.4879      2.00000
    229     -15.4777      2.00000
    230     -15.4580      2.00000
    231     -15.4443      2.00000
    232     -15.4410      2.00000
    233     -15.4293      2.00000
    234     -15.4152      2.00000
    235     -15.4118      2.00000
    236     -15.3973      2.00000
    237     -15.3879      2.00000
    238     -15.3845      2.00000
    239     -15.3625      2.00000
    240     -15.3462      2.00000
    241     -15.3360      2.00000
    242     -15.3287      2.00000
    243     -15.3154      2.00000
    244     -15.3100      2.00000
    245     -15.3080      2.00000
    246     -15.2978      2.00000
    247     -15.2793      2.00000
    248     -15.2724      2.00000
    249     -15.2609      2.00000
    250     -15.2563      2.00000
    251     -15.2491      2.00000
    252     -15.2441      2.00000
    253     -15.2407      2.00000
    254     -15.2136      2.00000
    255     -15.2017      2.00000
    256     -15.1927      2.00000
    257     -15.1738      2.00000
    258     -15.1666      2.00000
    259     -15.1622      2.00000
    260     -15.1316      2.00000
    261     -15.1217      2.00000
    262     -15.1114      2.00000
    263     -15.0948      2.00000
    264     -15.0908      2.00000
    265     -15.0745      2.00000
    266     -15.0499      2.00000
    267     -15.0364      2.00000
    268     -15.0226      2.00000
    269     -15.0058      2.00000
    270     -14.9912      2.00000
    271     -14.9437      2.00000
    272     -14.9242      2.00000
    273     -14.8989      2.00000
    274     -14.8884      2.00000
    275     -14.8667      2.00000
    276     -14.8045      2.00000
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   1411       4.3675      0.00000
   1412       4.3871      0.00000
   1413       4.3959      0.00000
   1414       4.4093      0.00000
   1415       4.4197      0.00000
   1416       4.4380      0.00000
   1417       4.4625      0.00000
   1418       4.4723      0.00000
   1419       4.4893      0.00000
   1420       4.5002      0.00000
   1421       4.5021      0.00000
   1422       4.5128      0.00000
   1423       4.5483      0.00000
   1424       4.5530      0.00000
   1425       4.5721      0.00000
   1426       4.5865      0.00000
   1427       4.6116      0.00000
   1428       4.6136      0.00000
   1429       4.6241      0.00000
   1430       4.6310      0.00000
   1431       4.6612      0.00000
   1432       4.6922      0.00000
   1433       4.7003      0.00000
   1434       4.7189      0.00000
   1435       4.7449      0.00000
   1436       4.7707      0.00000
   1437       4.7986      0.00000
   1438       4.8247      0.00000
   1439       4.8458      0.00000
   1440       4.8524      0.00000
   1441       4.8706      0.00000
   1442       4.8950      0.00000
   1443       4.9134      0.00000
   1444       4.9450      0.00000
   1445       4.9631      0.00000
   1446       4.9683      0.00000
   1447       4.9836      0.00000
   1448       4.9870      0.00000
   1449       4.9959      0.00000
   1450       5.0124      0.00000
   1451       5.0346      0.00000
   1452       5.0532      0.00000
   1453       5.0669      0.00000
   1454       5.0832      0.00000
   1455       5.1057      0.00000
   1456       5.1176      0.00000
   1457       5.1247      0.00000
   1458       5.1372      0.00000
   1459       5.1594      0.00000
   1460       5.1744      0.00000
   1461       5.1970      0.00000
   1462       5.2083      0.00000
   1463       5.2182      0.00000
   1464       5.2366      0.00000
   1465       5.2385      0.00000
   1466       5.2450      0.00000
   1467       5.2792      0.00000
   1468       5.2907      0.00000
   1469       5.2938      0.00000
   1470       5.3051      0.00000
   1471       5.3227      0.00000
   1472       5.3298      0.00000
   1473       5.3399      0.00000
   1474       5.3534      0.00000
   1475       5.3632      0.00000
   1476       5.3782      0.00000
   1477       5.3812      0.00000
   1478       5.3859      0.00000
   1479       5.3994      0.00000
   1480       5.4076      0.00000
   1481       5.4119      0.00000
   1482       5.4277      0.00000
   1483       5.4400      0.00000
   1484       5.4427      0.00000
   1485       5.4500      0.00000
   1486       5.4617      0.00000
   1487       5.4682      0.00000
   1488       5.4741      0.00000
   1489       5.4797      0.00000
   1490       5.4878      0.00000
   1491       5.5083      0.00000
   1492       5.5090      0.00000
   1493       5.5277      0.00000
   1494       5.5304      0.00000
   1495       5.5427      0.00000
   1496       5.5497      0.00000
   1497       5.5511      0.00000
   1498       5.5723      0.00000
   1499       5.5829      0.00000
   1500       5.5919      0.00000
   1501       5.5999      0.00000
   1502       5.6040      0.00000
   1503       5.6137      0.00000
   1504       5.6314      0.00000
   1505       5.6408      0.00000
   1506       5.6457      0.00000
   1507       5.6547      0.00000
   1508       5.6673      0.00000
   1509       5.6731      0.00000
   1510       5.6828      0.00000
   1511       5.6897      0.00000
   1512       5.7024      0.00000
   1513       5.7182      0.00000
   1514       5.7250      0.00000
   1515       5.7416      0.00000
   1516       5.7481      0.00000
   1517       5.7527      0.00000
   1518       5.7632      0.00000
   1519       5.7726      0.00000
   1520       5.7821      0.00000
   1521       5.7956      0.00000
   1522       5.8028      0.00000
   1523       5.8110      0.00000
   1524       5.8252      0.00000
   1525       5.8350      0.00000
   1526       5.8372      0.00000
   1527       5.8432      0.00000
   1528       5.8634      0.00000
   1529       5.8669      0.00000
   1530       5.8727      0.00000
   1531       5.8858      0.00000
   1532       5.8999      0.00000
   1533       5.9009      0.00000
   1534       5.9195      0.00000
   1535       5.9212      0.00000
   1536       5.9249      0.00000
   1537       5.9350      0.00000
   1538       5.9485      0.00000
   1539       5.9672      0.00000
   1540       5.9677      0.00000
   1541       5.9871      0.00000
   1542       5.9879      0.00000
   1543       5.9972      0.00000
   1544       6.0127      0.00000
   1545       6.0227      0.00000
   1546       6.0302      0.00000
   1547       6.0406      0.00000
   1548       6.0456      0.00000
   1549       6.0486      0.00000
   1550       6.0624      0.00000
   1551       6.0744      0.00000
   1552       6.0812      0.00000
   1553       6.0835      0.00000
   1554       6.0979      0.00000
   1555       6.1040      0.00000
   1556       6.1068      0.00000
   1557       6.1143      0.00000
   1558       6.1248      0.00000
   1559       6.1307      0.00000
   1560       6.1400      0.00000
   1561       6.1450      0.00000
   1562       6.1582      0.00000
   1563       6.1641      0.00000
   1564       6.1736      0.00000
   1565       6.1741      0.00000
   1566       6.1847      0.00000
   1567       6.2084      0.00000
   1568       6.2116      0.00000
   1569       6.2220      0.00000
   1570       6.2337      0.00000
   1571       6.2377      0.00000
   1572       6.2536      0.00000
   1573       6.2566      0.00000
   1574       6.2664      0.00000
   1575       6.2748      0.00000
   1576       6.2955      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.084  13.407  -0.001   0.001  -0.000   0.001  -0.004   0.000
 13.407  17.824  -0.001   0.002  -0.000   0.001  -0.006   0.001
 -0.001  -0.001  -4.229   0.002   0.000   8.271  -0.004  -0.001
  0.001   0.002   0.002  -4.230   0.001  -0.004   8.271  -0.001
 -0.000  -0.000   0.000   0.001  -4.222  -0.001  -0.001   8.262
  0.001   0.001   8.271  -0.004  -0.001 -18.305   0.006   0.001
 -0.004  -0.006  -0.004   8.271  -0.001   0.006 -18.304   0.001
  0.000   0.001  -0.001  -0.001   8.262   0.001   0.001 -18.296
 total augmentation occupancy for first ion, spin component:           1
  8.505  -3.836   0.200   0.131  -0.064   0.026   0.024  -0.010
 -3.836   1.804  -0.104  -0.087   0.037  -0.011  -0.015   0.006
  0.200  -0.104   1.775  -0.060  -0.033   0.167  -0.011  -0.006
  0.131  -0.087  -0.060   1.921  -0.072  -0.011   0.181  -0.010
 -0.064   0.037  -0.033  -0.072   1.223  -0.006  -0.010   0.080
  0.026  -0.011   0.167  -0.011  -0.006   0.017  -0.002  -0.001
  0.024  -0.015  -0.011   0.181  -0.010  -0.002   0.019  -0.001
 -0.010   0.006  -0.006  -0.010   0.080  -0.001  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -53957.39144106849.54638 32155.89658-12691.19202  6646.98390 24277.35891
  Hartree  1347.03170133861.89217 70325.68572-12974.77966  4672.20787 18725.58990
  E(xc)  -10739.11375-10596.12359-10638.35888     2.35385     7.77117    30.76767
  Local   19222.16760************************ 25651.08033-11363.78692-42439.65615
  n-local -5854.17929 -5979.35876 -6036.77358     5.45565    16.06899   -59.26771
  augment  1490.52773  1538.61479  1487.07975     4.71419    13.49215    -1.43703
  Kinetic 45550.63059 43254.95528 43744.68378   -25.82670   -66.78243  -541.42095
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -32.4681423   -411.9421893    -86.5843572    -28.1943590    -74.0452650     -8.0653620
  in kB       -5.4143226    -68.6946574    -14.4386346     -4.7016350    -12.3476406     -1.3449637
  external PRESSURE =     -29.5158715 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.274E+03 -.119E+03 0.250E+03   0.274E+03 0.119E+03 -.252E+03   -.125E+00 -.548E+00 0.118E+01   -.117E-02 0.112E-03 0.976E-04
   -.229E+03 -.143E+03 0.508E+02   0.229E+03 0.144E+03 -.503E+02   0.604E-01 -.120E+01 -.365E+00   -.943E-03 0.188E-03 -.427E-05
   -.195E+03 -.133E+03 0.334E+01   0.195E+03 0.135E+03 -.166E+01   0.402E+00 -.105E+01 -.157E+01   -.675E-03 0.272E-03 0.282E-03
   -.249E+03 -.108E+03 0.351E+03   0.249E+03 0.108E+03 -.353E+03   -.118E+00 0.184E+00 0.225E+01   -.758E-03 0.327E-03 0.197E-03
   -.203E+03 -.154E+03 0.314E+03   0.202E+03 0.155E+03 -.315E+03   0.197E+00 -.850E+00 0.115E+01   -.301E-03 0.573E-04 0.990E-04
   -.178E+03 -.118E+03 0.172E+03   0.178E+03 0.118E+03 -.173E+03   0.121E+00 -.986E-01 0.168E+00   -.416E-03 0.207E-03 0.160E-03
   -.283E+03 -.141E+03 0.181E+03   0.282E+03 0.146E+03 -.181E+03   0.384E+00 -.434E+01 0.762E+00   -.173E-02 0.314E-03 0.260E-03
   -.206E+03 -.118E+03 0.260E+02   0.207E+03 0.122E+03 -.281E+02   -.324E+00 -.406E+01 0.204E+01   -.874E-03 0.508E-03 -.949E-03
   -.129E+03 0.674E+01 0.202E+03   0.129E+03 -.670E+01 -.202E+03   0.282E-02 0.758E-01 0.804E-01   -.459E-03 -.198E-03 0.765E-05
   -.104E+03 0.925E+02 0.684E+02   0.104E+03 -.941E+02 -.673E+02   0.393E+00 0.113E+01 -.118E+01   -.735E-03 -.668E-03 -.402E-04
   -.114E+03 0.120E+03 0.138E+03   0.114E+03 -.121E+03 -.137E+03   0.350E+00 0.840E+00 -.246E+00   -.102E-02 -.902E-03 -.308E-03
   -.132E+03 0.575E+01 0.341E+03   0.132E+03 -.606E+01 -.342E+03   0.276E-01 0.469E+00 0.115E+01   -.386E-03 -.253E-03 -.151E-03
   -.135E+03 -.280E+02 0.376E+03   0.135E+03 0.288E+02 -.378E+03   -.409E-01 -.986E+00 0.213E+01   -.772E-03 -.110E-02 -.341E-03
   -.143E+03 0.397E+02 0.313E+03   0.144E+03 -.394E+02 -.315E+03   -.211E+00 0.552E-01 0.117E+01   -.103E-02 -.121E-02 -.242E-03
   -.141E+03 0.129E+03 0.279E+03   0.140E+03 -.135E+03 -.280E+03   0.608E+00 0.373E+01 0.210E+01   -.129E-02 -.160E-02 0.609E-03
   -.111E+03 0.131E+03 0.108E+03   0.111E+03 -.134E+03 -.111E+03   0.425E+00 0.295E+01 0.313E+01   -.112E-02 -.112E-02 -.753E-03
   -.111E+03 0.124E+03 0.627E+02   0.112E+03 -.120E+03 -.589E+02   -.611E+00 -.472E+01 -.393E+01   -.146E-02 -.887E-04 -.285E-03
   -.384E+02 0.207E+03 -.155E+03   0.377E+02 -.208E+03 0.157E+03   0.776E+00 0.192E+01 -.176E+01   -.147E-02 0.354E-03 -.319E-03
   -.836E+01 0.155E+03 -.208E+03   0.796E+01 -.155E+03 0.210E+03   0.268E+00 0.218E+00 -.207E+01   -.132E-02 0.176E-03 -.455E-03
   -.985E+02 0.125E+03 0.195E+03   0.995E+02 -.124E+03 -.198E+03   -.945E+00 -.630E+00 0.348E+01   -.168E-02 0.162E-03 -.127E-03
   -.306E+02 0.908E+02 -.379E+01   0.293E+02 -.928E+02 0.482E+01   0.133E+01 0.201E+01 -.118E+01   -.147E-02 0.218E-03 -.366E-03
   -.371E+02 0.201E+02 -.152E+03   0.371E+02 -.206E+02 0.153E+03   -.289E+00 -.217E-02 -.830E+00   -.151E-02 0.861E-04 -.309E-04
   -.685E+02 -.272E+02 -.193E+03   0.688E+02 0.275E+02 0.192E+03   -.303E+00 -.460E+00 0.743E+00   -.146E-02 0.289E-03 -.102E-03
   -.591E+02 -.732E+02 -.252E+03   0.603E+02 0.750E+02 0.251E+03   -.120E+01 -.202E+01 0.115E+01   -.106E-02 0.622E-03 0.707E-05
   -.354E+02 -.154E+03 -.362E+03   0.349E+02 0.155E+03 0.364E+03   0.502E+00 -.750E+00 -.192E+01   -.715E-03 0.455E-03 0.100E-03
   -.130E+03 -.171E+03 -.174E+03   0.130E+03 0.172E+03 0.173E+03   -.700E+00 -.480E+00 0.195E+01   -.151E-02 0.599E-03 -.810E-05
   -.104E+03 -.292E+03 -.211E+03   0.104E+03 0.293E+03 0.211E+03   -.131E+00 -.981E+00 0.278E+00   -.108E-02 0.466E-03 0.282E-03
   -.607E+02 -.264E+03 -.318E+03   0.608E+02 0.265E+03 0.319E+03   -.153E+00 -.130E+01 -.695E+00   -.584E-03 0.401E-03 0.399E-03
   -.569E+02 -.201E+02 -.238E+03   0.626E+02 0.280E+02 0.233E+03   -.567E+01 -.816E+01 0.523E+01   -.700E-03 0.373E-03 0.926E-03
   -.366E+02 0.559E+02 0.382E+02   0.320E+02 -.653E+02 -.341E+02   0.490E+01 0.929E+01 -.445E+01   -.142E-03 -.449E-03 -.497E-03
   -.219E+03 -.307E+02 -.453E+02   0.219E+03 0.308E+02 0.469E+02   0.197E-01 -.298E+00 -.159E+01   0.691E-03 -.114E-03 -.462E-03
   -.152E+03 -.156E+03 0.128E+03   0.152E+03 0.157E+03 -.128E+03   0.139E+00 -.131E+01 -.874E-01   0.105E-02 -.306E-03 -.694E-04
   -.172E+03 -.157E+03 0.165E+03   0.172E+03 0.159E+03 -.166E+03   0.860E-01 -.153E+01 0.905E+00   0.124E-02 -.223E-03 -.266E-03
   -.328E+03 0.623E+01 -.167E+03   0.327E+03 -.807E+01 0.170E+03   0.408E+00 0.212E+01 -.276E+01   0.478E-03 -.125E-03 -.484E-03
   -.312E+03 -.707E+02 -.197E+03   0.312E+03 0.707E+02 0.198E+03   0.359E+00 -.907E-01 -.144E+01   0.865E-03 -.359E-03 -.576E-03
   -.239E+03 -.685E+02 -.195E+02   0.239E+03 0.682E+02 0.195E+02   0.287E+00 0.197E+00 -.269E+00   0.115E-02 -.209E-03 -.459E-03
   -.116E+03 -.570E+02 -.507E+01   0.117E+03 0.618E+02 0.756E+01   -.378E+00 -.406E+01 -.266E+01   0.774E-03 -.209E-04 -.877E-03
   -.710E+02 -.146E+03 0.113E+03   0.711E+02 0.149E+03 -.109E+03   -.253E+00 -.305E+01 -.366E+01   0.122E-02 -.731E-03 0.704E-03
   -.209E+03 0.481E+02 -.289E+02   0.208E+03 -.483E+02 0.289E+02   0.738E-01 0.255E+00 -.576E-02   0.115E-02 -.439E-03 -.410E-03
   -.119E+03 0.661E+02 0.177E+03   0.118E+03 -.674E+02 -.179E+03   0.926E-01 0.104E+01 0.184E+01   0.123E-02 -.386E-03 -.569E-03
   -.777E+02 0.885E+02 0.993E+02   0.777E+02 -.900E+02 -.997E+02   -.134E-01 0.141E+01 0.363E+00   0.702E-03 -.414E-03 -.418E-03
   -.235E+03 0.854E+02 -.241E+03   0.235E+03 -.864E+02 0.242E+03   0.569E-01 0.102E+01 -.886E+00   0.919E-03 -.216E-03 -.336E-03
   -.191E+03 0.419E+02 -.312E+03   0.191E+03 -.422E+02 0.314E+03   0.521E-01 0.715E-01 -.212E+01   0.621E-03 -.285E-03 -.285E-03
   -.111E+03 0.647E+02 -.166E+03   0.111E+03 -.653E+02 0.167E+03   0.137E+00 0.847E+00 -.104E+01   0.482E-03 -.315E-03 -.363E-03
   -.547E+02 0.117E+03 -.103E+03   0.544E+02 -.123E+03 0.102E+03   0.353E+00 0.463E+01 -.501E+00   0.364E-03 -.294E-03 -.107E-02
   -.164E+02 0.871E+02 0.131E+03   0.159E+02 -.913E+02 -.129E+03   0.341E+00 0.439E+01 -.205E+01   0.536E-03 -.486E-03 -.496E-04
   0.420E+02 0.595E+02 0.985E+02   -.406E+02 -.540E+02 -.100E+03   -.121E+01 -.569E+01 0.171E+01   -.153E-04 0.262E-03 0.336E-04
   0.803E+01 0.138E+03 0.280E+03   -.707E+01 -.139E+03 -.283E+03   -.758E+00 0.127E+01 0.246E+01   -.245E-03 0.467E-03 0.134E-03
   -.325E+02 0.135E+03 0.245E+03   0.336E+02 -.135E+03 -.246E+03   -.131E+01 -.298E+00 0.168E+01   -.591E-03 0.193E-03 0.108E-03
   0.454E+02 0.812E+02 -.675E+02   -.461E+02 -.812E+02 0.710E+02   0.516E+00 0.444E+00 -.351E+01   -.140E-04 0.268E-03 -.169E-03
   0.106E+02 0.371E+02 0.156E+02   -.999E+01 -.382E+02 -.174E+02   -.687E+00 0.138E+01 0.206E+01   -.449E-03 0.115E-04 -.184E-03
   -.208E+01 0.204E+02 0.897E+02   0.241E+01 -.200E+02 -.906E+02   -.203E+00 -.471E+00 0.990E+00   -.676E-03 0.372E-04 -.190E-03
   -.100E+03 -.638E+01 0.463E+02   0.100E+03 0.634E+01 -.458E+02   0.235E-02 0.297E-01 -.678E+00   -.799E-03 0.298E-03 -.534E-03
   -.209E+03 -.219E+02 0.112E+03   0.209E+03 0.228E+02 -.110E+03   0.634E+00 -.121E+01 -.194E+01   -.992E-03 0.466E-03 -.487E-03
   -.282E+03 -.795E+02 0.183E+03   0.284E+03 0.797E+02 -.187E+03   -.104E+01 -.315E+00 0.342E+01   -.161E-02 0.309E-03 -.449E-03
   -.103E+03 -.131E+03 -.125E+03   0.102E+03 0.131E+03 0.127E+03   0.608E+00 0.669E+00 -.202E+01   -.778E-03 0.403E-03 -.582E-03
   -.142E+03 -.135E+03 -.167E+03   0.142E+03 0.136E+03 0.170E+03   0.257E+00 -.113E+01 -.275E+01   -.945E-03 0.562E-04 -.645E-03
   -.218E+03 -.621E+02 0.391E+02   0.217E+03 0.561E+02 -.374E+02   0.105E+01 0.613E+01 -.187E+01   -.121E-02 0.319E-03 -.747E-03
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   0.190E+03 0.127E+03 -.231E+03   -.191E+03 -.153E+03 0.277E+03   0.143E+01 0.266E+02 -.467E+02   0.990E-03 0.689E-03 0.219E-02
   -.420E+03 -.807E+02 0.406E+03   0.443E+03 0.961E+02 -.452E+03   -.228E+02 -.153E+02 0.458E+02   0.995E-03 -.163E-02 -.157E-02
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   0.438E+02 -.396E+03 0.356E+02   -.738E+02 0.432E+03 -.109E+02   0.300E+02 -.359E+02 -.248E+02   -.764E-03 -.898E-03 0.507E-04
   -.139E+03 0.183E+02 0.480E+02   0.152E+03 -.486E+02 -.589E+01   -.126E+02 0.309E+02 -.426E+02   -.798E-03 -.250E-03 -.149E-02
   0.768E+03 -.952E+02 0.969E+02   -.800E+03 0.119E+03 -.135E+03   0.312E+02 -.229E+02 0.386E+02   0.233E-02 -.170E-02 -.139E-02
   0.686E+02 0.357E+03 0.134E+03   -.340E+02 -.385E+03 -.159E+03   -.355E+02 0.285E+02 0.248E+02   0.226E-02 -.361E-03 -.255E-03
   0.804E+03 0.258E+03 0.147E+03   -.842E+03 -.291E+03 -.123E+03   0.378E+02 0.327E+02 -.235E+02   -.216E-03 0.118E-03 -.112E-02
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   0.183E+03 -.511E+03 -.242E+03   -.204E+03 0.544E+03 0.275E+03   0.218E+02 -.334E+02 -.343E+02   -.912E-03 -.182E-02 0.322E-03
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   0.597E+02 -.371E+03 -.591E+02   -.292E+02 0.411E+03 0.444E+02   -.307E+02 -.401E+02 0.148E+02   -.778E-03 -.300E-03 0.163E-02
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   -.295E+03 -.411E+03 0.415E+03   0.323E+03 0.441E+03 -.446E+03   -.288E+02 -.302E+02 0.307E+02   0.128E-02 0.167E-02 0.206E-02
   0.173E+03 -.500E+03 -.100E+03   -.201E+03 0.530E+03 0.133E+03   0.282E+02 -.298E+02 -.325E+02   0.189E-03 0.716E-03 0.190E-02
   -.268E+03 -.126E+03 -.137E+02   0.302E+03 0.104E+03 0.468E+02   -.341E+02 0.224E+02 -.335E+02   0.260E-03 0.111E-02 0.199E-02
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   -.222E+03 0.199E+03 0.662E+03   0.259E+03 -.224E+03 -.688E+03   -.365E+02 0.253E+02 0.269E+02   -.422E-03 0.343E-03 -.176E-02
   0.934E+02 0.414E+03 0.298E+03   -.126E+03 -.446E+03 -.279E+03   0.333E+02 0.328E+02 -.185E+02   -.102E-02 -.232E-03 -.804E-03
 -----------------------------------------------------------------------------------------------
   0.165E+01 0.500E+01 0.133E+02   0.992E-11 0.000E+00 -.171E-11   -.164E+01 -.498E+01 -.133E+02   0.495E-02 -.111E-01 -.266E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.93977      3.16106      1.41720         0.039327     -0.306247     -0.344915
     12.74440      3.58179      2.72294        -0.026479     -0.024317      0.118907
     12.69375      4.95033      3.04107         0.067780      0.464837      0.112881
     12.96562      4.07176      0.37420         0.030779      0.306034     -0.197003
     12.91820      5.44024      0.67021         0.009780     -0.090860      0.127368
     12.83110      5.93468      2.00168         0.063474     -0.129798      0.064448
     13.04116      1.66831      1.36212        -0.214503      0.864873      0.680879
     12.55792      2.33746      3.55671         0.113433      0.032112     -0.065651
     12.93002      7.43377      2.23870         0.048663      0.117406      0.078641
     12.88637      8.05078      3.53096         0.026459     -0.479109     -0.074254
     13.19448      9.41170      3.67038         0.051143     -0.167024     -0.023457
     13.15809      8.30951      1.13708         0.186231      0.165242      0.010123
     13.37533      9.69024      1.28270         0.006043     -0.149266     -0.114201
     13.42479     10.21823      2.56781         0.041619      0.348093     -0.335894
     13.64879     11.64246      3.00515        -0.228279     -2.252201      1.074312
     13.35132     10.25894      4.89613        -0.072572     -0.095239     -0.542017
     13.72148     12.74969      5.30100        -0.077455     -0.252111     -0.099015
     13.39180     12.66247      6.65069         0.099796      0.668910      0.433429
     13.41964     13.77341      7.50365        -0.136088     -0.038553     -0.155031
     14.01750     14.03588      4.84049         0.033500      0.321796      0.352444
     14.02449     15.14441      5.72473        -0.032490      0.046757     -0.139848
     13.76510     15.09478      7.13595        -0.241610     -0.479249      0.210294
     13.79438     16.23084      8.18947         0.026231     -0.152630      0.183702
     13.25415     16.18275      9.53525        -0.049192     -0.220025     -0.031583
     13.35821     17.27679     10.42450         0.000657     -0.340377     -0.021638
     14.35906     17.49785      7.90768         0.118275     -0.160474      0.127940
     14.38417     18.59689      8.76306         0.033627     -0.251259      0.019156
     13.92204     18.49177     10.06395        -0.049374     -0.139449     -0.145903
     12.50120     15.02453     10.17235        -0.015716     -0.182931      0.159962
     14.52541     16.38656      5.06981         0.304672     -0.133134     -0.359013
      9.66280      3.86095      4.79680         0.096784     -0.180825     -0.002625
      9.77750      4.79299      3.77956         0.041323      0.054572      0.054798
      9.93924      6.14811      4.09646         0.015634      0.333345     -0.049665
      9.66964      4.22654      6.12692         0.117912      0.272850      0.357463
      9.73927      5.58191      6.46109         0.145795     -0.125478     -0.167399
      9.90749      6.57746      5.46140         0.000799     -0.074573     -0.227155
      9.48620      2.50056      4.24622         0.203126      0.741537     -0.182884
      9.73205      4.04211      2.47735        -0.085296      0.100603      0.408482
     10.02190      8.02424      5.84324        -0.054027      0.041201      0.014259
     10.22375      9.03437      4.86364        -0.062356     -0.273355     -0.106081
     10.28302     10.36822      5.24729        -0.026030     -0.070578     -0.021475
      9.89926      8.44239      7.19754         0.068951      0.059353      0.037259
      9.98790      9.79290      7.57426         0.038090     -0.132181      0.119901
     10.16826     10.74314      6.57623         0.145399      0.282293      0.390416
     10.29644     12.22901      6.68399         0.037379     -1.057525     -1.121262
     10.46952     11.59620      4.43413        -0.144217      0.208628     -0.755187
     10.80810     14.07348      4.99668         0.147313     -0.114408     -0.067540
     11.31274     14.41349      3.74173         0.198667      0.277531     -0.068216
     11.72606     15.71395      3.44965        -0.184597     -0.021229     -0.008832
     10.78399     15.12260      5.92368        -0.123786      0.368842     -0.036199
     11.07858     16.46572      5.57267        -0.035762      0.245243      0.249047
     11.57363     16.85196      4.26107         0.130165     -0.076849      0.109154
     12.03339     18.24545      3.74994        -0.076320     -0.006785     -0.104000
     12.53049     18.64804      2.43804         0.054944     -0.222166     -0.111039
     12.72855     20.00583      2.10157         0.169893     -0.089220      0.221054
     11.93406     19.34552      4.61799         0.028746      0.310041     -0.404147
     12.16877     20.68445      4.29930        -0.218274     -0.316834      0.050735
     12.55253     21.06046      3.02073         0.117073      0.116544     -0.170458
     12.87953     17.73687      1.23667         0.071290     -0.330212     -0.175285
     10.81227     17.41681      6.74805         0.155826     -0.048388     -0.085572
     10.25916      7.13714     14.62008         0.110337     -0.538707     -0.129757
     10.14434      7.56671     15.93321        -0.026639     -0.373305      0.248919
     10.14082      8.93053     16.25559        -0.060026      0.736361      0.227138
     10.26813      8.07058     13.59010         0.070927      0.279967     -0.311084
     10.26880      9.44685     13.88993        -0.021403     -0.051133     -0.007283
     10.25360      9.93838     15.22209        -0.074105     -0.272411      0.533442
     10.26690      5.62509     14.59821         0.385441     -0.931910     -1.601588
      9.90758      6.32129     16.78611         0.146757      0.312552     -0.541900
     10.31802     11.44435     15.50886         0.129833      0.096629      0.156100
     10.25910     12.02374     16.82575         0.133309     -0.407573     -0.003726
     10.46575     13.40798     17.01243         0.068228     -0.138240      0.032884
     10.49456     12.36707     14.43397         0.125348      0.149794     -0.004365
     10.65389     13.75210     14.62648        -0.002339     -0.127153     -0.153335
     10.66550     14.25103     15.92682         0.006056      0.231766     -0.223658
     10.78868     15.67423     16.38330        -0.090785     -1.267502      0.824344
     10.47917     14.27057     18.25827         0.166710      0.184824     -0.655308
     10.63549     16.83747     18.64133         0.047032      0.157487      0.053278
     10.20115     16.78420     19.96203        -0.156073      0.477848      0.253110
      9.99821     17.93137     20.74449         0.021398     -0.001573     -0.363842
     10.91927     18.14194     18.17579         0.094243      0.427325      0.269240
     10.85468     19.27984     19.02858        -0.018038      0.048421      0.141974
     10.35771     19.25369     20.39650        -0.031908     -0.225530      0.022484
     10.16749     20.41344      0.15802         0.039497      0.132489      0.256510
      9.64502     20.33425      1.51850         0.157684     -0.268856      0.055030
      9.54011      0.20444      2.36431        -0.254896     -0.248494     -0.039041
     10.53156      0.50554     21.13859         0.122900     -0.305419     -0.015177
     10.20953      1.64055      0.62447         0.085729     -0.350008      0.166086
      9.72482      1.52148      1.92590        -0.027487      0.222987     -0.014192
      9.14141     19.09187      2.26596        -0.102588     -0.180360     -0.256800
     11.31049     20.56830     18.38837         0.357143     -0.041827     -0.297499
      7.02745      7.65000     17.51453         0.255954     -0.292059      0.087128
      7.10602      8.59330     16.50392         0.217466      0.240261     -0.008068
      7.27284      9.95282     16.81110         0.132676      0.242579     -0.037552
      7.11225      8.01459     18.85105         0.185020      0.307475      0.269259
      7.15060      9.38130     19.17509         0.214661     -0.163557     -0.286542
      7.24527     10.39253     18.17023        -0.043933     -0.061146     -0.145790
      6.80157      6.29739     16.93174         0.419516      1.005503     -0.562224
      7.04943      7.86154     15.19375         0.027873     -0.090590     -0.137704
      7.28140     11.85760     18.55424        -0.087858      0.089468     -0.164443
      7.44866     12.93571     17.62119        -0.066613     -0.422417     -0.139359
      7.38541     14.26018     18.06574        -0.027620      0.038345     -0.077729
      7.10910     12.21641     19.91225         0.111104      0.052670     -0.083579
      7.10734     13.54861     20.34758         0.070113     -0.263689      0.086027
      7.20600     14.56341     19.40939         0.063251      0.231544      0.230635
      7.21691     16.04632     19.60069         0.032579     -0.703448     -0.607053
      7.55064     15.55951     17.33673        -0.201122     -0.007543     -0.448549
      7.62251     18.02472     18.05866         0.031633     -0.044899      0.110800
      8.29404     18.43867     16.91388         0.154608      0.393921     -0.026082
      8.63816     19.77316     16.71268        -0.245583     -0.073010     -0.013953
      7.33240     19.05152     18.97882        -0.172838      0.293955     -0.225272
      7.48218     20.42349     18.63438         0.067603      0.099260      0.016465
      8.17471     20.87523     17.44115         0.008534      0.037251      0.285044
      8.61535      1.03235     16.98066         0.046014     -0.405461     -0.118327
      9.12497      1.33960     15.66898         0.024165      0.315972     -0.347428
      9.50139      2.69052     15.33566         0.145392     -0.256562     -0.074124
      8.64415      2.14551     17.85554        -0.021480      0.210242     -0.312753
      9.04793      3.44680     17.53320         0.116951     -0.342825     -0.201692
      9.50366      3.77627     16.25077         0.197530     -0.206340     -0.220517
      9.44369      0.34202     14.45841         1.019876      1.417362      0.634299
      6.95497      0.10880     19.69253        -0.027023      0.003739      0.017890
      6.97664     10.86647      6.11946         0.005006     -0.322514     -0.207905
      6.80659     11.32236      7.41458         0.007976      0.055633      0.258125
      6.92724     12.67996      7.73412        -0.005023      0.314440      0.047104
      7.31444     11.73558      5.09531        -0.019298      0.260908     -0.153199
      7.44548     13.09825      5.39772        -0.152187     -0.059555      0.048475
      7.23435     13.62300      6.70344        -0.153490      0.111348      0.143149
      6.91116      9.37562      6.10573        -0.036911      0.815472      0.280992
      6.63443     10.11300      8.29342         0.139069      0.254983     -0.594267
      7.33489     15.12295      6.93533        -0.178017      0.005566      0.182096
      7.10186     15.76509      8.19311        -0.042616     -0.242379     -0.008305
      7.22029     17.16624      8.30542        -0.019811     -0.223655      0.220733
      7.67373     15.97242      5.84524        -0.124609      0.222972      0.161277
      7.69614     17.36919      5.95670        -0.017054     -0.264404     -0.207807
      7.47759     17.95894      7.20433         0.030952      0.248023     -0.158210
      7.70099     19.38297      7.65099        -0.307387     -0.873838      0.109301
      7.25690     18.05876      9.52667         0.150463     -0.045755     -1.499679
      7.59786     20.58269      9.90879         0.078281     -0.019640     -0.307151
      7.12771     20.55083     11.21342        -0.105332      0.566799      0.561884
      6.94975      0.45064     11.99135         0.208271     -0.107397      0.009712
      7.98564      0.60378      9.47973         0.091233      0.387909      0.361457
      8.03031      1.71455     10.38733        -0.110844     -0.036070     -0.084261
      7.48129      1.73573     11.72219         0.076627      0.117631     -0.050741
      7.41461      2.94731     12.76443         0.127813      0.133278      0.022189
      6.90397      2.91422     14.11280        -0.574519     -0.971222      0.315683
      6.75592      4.03090     14.96969        -0.002742     -0.242614     -0.004440
      7.86146      4.28453     12.51702         0.007938     -0.415073     -0.009172
      7.64271      5.41869     13.31604         0.074748     -0.061938     -0.226378
      7.06669      5.33685     14.58447         0.093010      0.349290      0.034627
      6.19726      1.70061     14.76872         1.290001      0.207930     -0.904406
      8.69262      2.91300      9.79813         0.580435     -0.018450     -0.358544
      4.04645     11.49908     10.75517         0.164019     -0.201936      0.204015
      3.77473     12.36706      9.71149         0.110225      0.269245     -0.210162
      3.82854     13.75073      9.88190         0.137375      0.185892     -0.009581
      4.38474     11.97912     12.01387         0.186546      0.113114      0.194347
      4.44164     13.37061     12.20728         0.062820     -0.140282     -0.144336
      4.17612     14.29109     11.15237         0.068686      0.092184     -0.112610
      3.84618     10.09751     10.30362         0.039714      0.793096     -0.287504
      3.39995     11.55657      8.51238         0.307862     -0.052582      0.697356
      4.27511     15.78387     11.36653         0.020688      0.071922     -0.156362
      4.08308     16.73275     10.31131        -0.054152     -0.336142     -0.035474
      4.13444     18.10647     10.58746         0.019729      0.035293     -0.023822
      4.62949     16.29173     12.64201         0.044057      0.073991     -0.035821
      4.76243     17.66286     12.88140        -0.011626     -0.144578     -0.048118
      4.41004     18.55343     11.87066         0.213569     -0.018147      0.075831
      4.34483     20.02599     11.88085         0.118207      0.707869      1.433787
      4.15307     19.33779      9.72111        -0.200039     -0.161540     -1.615224
      4.44415      0.63830     10.15218         0.031838     -0.104457      0.079245
      4.81399      0.95751      8.84852         0.001483      0.462321     -0.004561
      5.19494      2.25827      8.48117         0.047871     -0.066817      0.137565
      4.40601      1.75490     11.01471        -0.156766      0.093793     -0.078398
      4.72624      3.09096     10.61607         0.065175      0.351023      0.278910
      5.29282      3.40906      9.29805        -0.027015     -0.082197      0.352373
      5.90915      4.79322      8.73276        -0.007005     -0.213282     -0.103357
      6.43792      5.11531      7.41187        -0.101392     -0.129788      0.035771
      6.68608      6.45823      6.98118         0.063537     -0.491510      0.098438
      5.85863      5.94867      9.51986         0.441867      0.659588     -0.495158
      6.16286      7.26348      9.13305        -0.053516     -0.900578     -0.002902
      6.52511      7.56907      7.82903         0.079390      0.131935      0.190467
      6.54409      4.06228      6.30784        -0.337657     -0.197748     -0.076296
      4.47513      4.06388     11.81393         0.242233     -0.428525      0.083757
      1.10374     14.32526      0.80345        -0.047599     -0.309143     -0.235271
      1.69364     14.74753      1.98563         0.147807     -0.021505      0.400460
      1.68009     16.12431      2.32614        -0.029073      0.169945      0.138957
      0.66708     15.21194     21.08884         0.038025      0.489761      0.122752
      0.73540     16.57587      0.11839        -0.165131     -0.399061      0.156988
      1.13397     17.07617      1.38544         0.081702     -0.130366      0.159869
      1.10460     12.85075      0.71760        -0.221691     -0.210055      0.109264
      2.33136     13.47820      2.61359        -1.395397      0.237542     -1.888441
      0.99021     18.57454      1.59044         0.106549      0.045730      0.062144
      1.35607     19.27017      2.78325         0.082411     -0.364004      0.056465
      1.18378     20.65829      2.84421         0.047119     -0.057472      0.038839
      0.50772     19.37402      0.50745        -0.034960      0.166091      0.124031
      0.34405     20.76235      0.59254        -0.200403     -0.311575     -0.512378
      0.65972      0.12380      1.77993         0.014152      0.194429      0.146611
      0.65614      1.57875      2.09222         0.133022     -1.071668      0.117712
      1.60458      0.38365      3.89292        -0.471769     -0.159807     -1.045098
      1.43406      2.94697      4.04867        -0.201185      0.031257     -0.289886
      1.99002      2.94984      5.31037        -0.077109      0.383855      0.036864
      2.12870      4.10503      6.05391        -0.098957      0.409239     -0.314787
      1.02422      4.21165      3.57869         0.006678      0.014775      0.252404
      1.19541      5.38925      4.35052         0.112310     -0.185767      0.280864
      1.82289      5.43903      5.64452         0.010733     -0.057673      0.164739
      2.16116      6.71369      6.49995         0.043059     -0.127873      0.001342
      2.65918      6.66523      7.83838        -0.077531     -0.307128     -0.078683
      3.15066      7.75397      8.58380         0.030639     -0.465162      0.115123
      2.11550      8.07802      6.07926         0.068005      0.055544      0.312893
      2.58231      9.18327      6.81846        -0.338836     -0.515392     -0.408968
      3.10444      9.05379      8.10858         0.087285      0.571320     -0.221791
      2.90318      5.36272      8.53642        -0.550778      0.451010     -0.697555
      0.56804      6.59328      3.73552        -0.480078      0.108590     -0.339912
      4.70037     14.09385      0.68004        -0.071537     -0.327203      0.129907
      4.03869     15.00004     -0.13754        -0.152859      0.056285     -0.118177
      4.01595     16.38162      0.20445        -0.001878      0.219442     -0.005502
      5.39790     14.53170      1.80335         0.020095      0.098960      0.115806
      5.41835     15.89359      2.12200        -0.094155      0.050618     -0.165759
      4.71152     16.87955      1.37098        -0.068721      0.009059     -0.241877
      4.54045     12.68857      0.17208        -0.325712      0.570177     -0.277760
      3.43150     14.16510     19.97521         0.538097     -0.330556      0.850358
      4.76584     18.35653      1.83919        -0.112467      0.321040     -0.095352
      4.09850     19.47085      1.20694         0.004820     -0.329178     -0.176588
      4.25432     20.79293      1.69177        -0.018749     -0.105911     -0.209396
      5.55621     18.70710      2.97902        -0.092192      0.034721     -0.039448
      5.71078     20.02327      3.45079         0.037798     -0.274015      0.023022
      5.05188     21.05622      2.79561         0.166178      0.051036      0.201329
      5.09646      1.26814      3.08015        -0.399511     -0.591693     -0.608151
      3.73906      0.87950      1.20613         0.481636     -0.263252      0.536125
      3.95449      3.32483      2.08318         0.330829      0.069394      0.396181
      3.08210      3.90443      1.16913        -0.349628      0.319440     -0.088194
      2.75384      5.26728      1.17166         0.041825      0.579229     -0.055579
      4.41350      4.25883      3.03532         0.118288      0.017702     -0.259078
      4.17090      5.65951      2.90687         0.014743     -0.300088      0.290036
      3.37382      6.33134      1.94929        -0.068412     -0.148667     -0.362734
      3.15718      7.99159      1.89075        -0.114868     -0.149398     -0.570043
      2.20462      8.58845      0.99304         0.066533      0.323991      0.200565
      1.89096      9.96322      0.88625         0.015429      0.114016      0.056910
      3.71920      9.04142      2.70151        -0.153705      0.286297     -0.527271
      3.32966     10.41765      2.69650         0.060597     -0.786066      0.253942
      2.40737     10.94083      1.78341        -0.424494     -0.182097     -0.032394
      1.47069      7.70228      0.05492         0.071525     -0.215226     -0.658034
      4.82925      6.43932      3.96788         0.478699     -0.068607      0.474361
     18.20108     17.31731     13.48765        -0.221269     -0.223990     -0.205476
     19.25120     17.80181     14.25474        -0.056896      0.094576      0.194895
     19.50980     19.17317     14.36300        -0.110417      0.445812      0.212922
     17.39892     18.19213     12.76300        -0.173411      0.246114     -0.073276
     17.61802     19.57687     12.90107         0.019765     -0.114520      0.035825
     18.66019     20.12098     13.70846        -0.027620     -0.046239      0.139387
     18.15933     15.81634     13.56727         0.941574      1.380567      0.827606
     19.94402     16.62749     14.86503         0.238752     -0.058609      0.511636
     18.78508      0.36936     13.92063         0.133718     -0.057333      0.238138
     19.80813      0.96422     14.73349        -0.143888     -0.511701      0.046349
     19.75923      2.32519     15.06397         0.049170     -0.178229      0.166717
     17.79501      1.25045     13.41070        -0.063884      0.108101      0.184797
     17.79500      2.63100     13.69497        -0.192043     -0.201770     -0.133315
     18.78334      3.15131     14.53375        -0.328247      0.364443     -0.100583
     18.99044      4.55253     15.05020         0.151307     -1.181610      0.022495
     20.55714      3.14141     16.05466        -0.045761     -0.336882     -0.028292
     20.64128      5.63590     16.65264         0.493474     -0.009738     -0.013043
      0.69418      5.60034     17.13967        -0.009936      0.350717     -0.047144
      1.36605      6.77910     17.47399         0.175624      0.263645      0.261849
     20.07229      6.91739     16.68253        -0.255864     -0.111055     -0.008295
     20.67853      8.02781     17.31643         0.136654      0.609938      0.116037
      0.80745      8.05495     17.73508        -0.056676     -0.278880      0.024578
      1.69331      9.20898     18.38148        -0.601676     -0.034829     -0.339170
      3.01159      9.11098     18.94949         0.465386      0.239865      0.681064
      3.66425     10.21655     19.62438         0.206286      0.195390     -0.281559
      1.16935     10.50974     18.57669         0.585571     -0.510725      0.254328
      1.86913     11.61592     19.06583        -0.901863      0.224646     -0.125967
      3.12463     11.54513     19.61835         0.757250     -0.498471      0.330266
      3.98254      7.92619     18.86920        -0.151658     -0.865657     -0.104864
     19.71075      9.18697     17.49296        -0.363722     -0.238354     -0.146275
      2.04289     18.17630     14.09813        -0.129513     -0.365566      0.316507
      1.27737     19.11757     13.42554        -0.030595      0.074880     -0.071699
      1.36288     20.47061     13.75459         0.118577      0.276465     -0.126740
      2.99201     18.55644     15.04764        -0.020112     -0.017765      0.090939
      3.17895     19.92542     15.28626        -0.077085     -0.122462     -0.153743
      2.32278     20.91203     14.71326        -0.314662      0.196329     -0.161248
      1.70503     16.81534     13.59806        -0.497828      1.817857     -0.590934
      0.44982     18.40207     12.39192         0.418658     -0.064713      0.502641
      2.47824      1.12128     15.01390        -0.272176      0.178058     -0.160560
      1.76953      2.13617     14.28350         0.023264     -0.685695     -0.052123
      2.07551      3.47720     14.48105        -0.120382      0.120324      0.091514
      3.40162      1.55722     15.98511        -0.080840      0.261847      0.056861
      3.71320      2.92491     16.15257        -0.043820     -0.253553      0.363285
      3.08075      3.85990     15.35774        -0.144035      0.520020      0.428139
      3.19847      5.35497     15.34417         0.337163      0.106855      0.277761
      1.42597      4.71767     13.99092        -1.304492      0.242672     -0.900363
      1.65019      7.23937     14.52984        -0.023418      0.017495      0.270547
      0.36600      7.55028     14.07002        -0.193165     -0.076600     -0.033383
     21.07014      8.82972     14.14954         0.083173     -0.119011     -0.069399
      2.30714      8.34075     15.12896         0.115326      0.452177     -0.154192
      1.76664      9.66084     15.12945         0.142311      0.452412      0.038760
      0.43743      9.99453     14.63293        -0.113420     -0.119795      0.084859
     20.90842     11.34287     14.63663        -0.052308      0.134499     -0.263622
     19.55652     11.65372     14.14507         0.077749     -0.295303      0.030334
     19.06638     12.97352     14.05430        -0.051707     -0.260331      0.183596
      0.30036     12.53382     15.00357        -0.052330      0.213232     -0.033197
     -0.23981     13.82039     15.05483         0.126909     -0.146794     -0.160943
     19.75232     14.09295     14.55488        -0.070438      0.043870      0.058294
     18.52223     10.67428     13.57321        -0.255391     -0.492099     -0.112675
      2.73957     10.69940     15.70627        -0.060721     -0.004101     -0.018337
     16.09613      0.41825      5.20422         0.020531     -0.253662     -0.128546
     16.90539      0.87680      6.23253         0.062614      0.023317      0.249391
     16.99686      2.24658      6.52322         0.027031      0.274593      0.198915
     15.29096      1.29456      4.50439        -0.065276      0.262202     -0.142529
     15.34266      2.66274      4.80825         0.138597     -0.073548      0.084313
     16.21686      3.19626      5.78347         0.151176     -0.068581      0.244642
     16.35446     20.22613      4.95574         0.209850      0.710707      0.467223
     17.59761     20.92783      6.81290        -0.113166      0.184294     -0.435308
     16.27455      4.70030      6.00703         0.099991     -0.010958      0.238922
     17.13734      5.32176      6.96162        -0.085359     -0.233590      0.135105
     17.08291      6.71044      7.17449         0.019219     -0.248493      0.251878
     15.40736      5.57161      5.29157         0.069988      0.161699      0.110094
     15.39842      6.96250      5.48847        -0.193977     -0.221940     -0.226523
     16.25611      7.52498      6.42276        -0.218110      0.243872     -0.042074
     16.41757      8.95202      6.85652         0.184887     -1.013314      0.018138
     17.69176      7.57129      8.25222        -0.605888     -0.084817     -0.884907
     17.78896     10.11530      8.63675        -0.329104     -0.145141     -0.213349
     18.81389     10.00533      9.55335         0.305773      0.546667      0.306509
     19.41352     11.12884     10.12990        -0.099073     -0.110896     -0.110964
     17.35086     11.43133      8.39164         0.094037      0.353199      0.324031
     17.85290     12.54367      9.12345         0.176007      0.050734     -0.075460
     18.96852     12.46219     10.05502         0.085691      0.015897     -0.066009
     19.74291     13.58783     10.81873        -0.127577      0.189310      0.056863
     20.99188     13.48560     11.55582         0.099081     -0.362103     -0.101634
      0.39642     14.60228     12.10975         0.269412     -0.257398     -0.116010
     19.28417     14.93673     10.85444        -0.252097     -0.258716      0.039283
     19.98688     16.05478     11.32349         0.046857      0.014280      0.156556
     21.22799     15.92087     11.96024        -0.235969      0.022535      0.083639
      0.62518     12.25264     11.73749        -0.080515     -0.130964     -0.222589
     17.13279     13.82531      8.77677        -0.343149      0.121176      0.081419
     20.37633      1.30119      6.11723         0.134626     -0.135183      0.033755
     19.82566      2.35135      5.38485        -0.171284      0.211674     -0.056021
     19.85413      3.65518      5.83619        -0.097319      0.150644      0.162242
     20.89198      1.53100      7.38693         0.112745      0.014517      0.222950
     20.92387      2.85170      7.86396        -0.127184     -0.234345     -0.048217
     20.43700      3.94021      7.09512        -0.111904      0.468759      0.155154
     20.19409      0.04212      5.33696        -0.662893      1.001259     -0.238695
     19.10129      1.79790      4.20151         0.543324     -0.546942      0.547110
     20.53558      5.37046      7.55279        -0.108357      0.197176      0.078246
     20.14863      6.42409      6.68982        -0.115721     -0.137597      0.136374
     20.42571      7.75198      7.02771        -0.236503     -0.077348      0.026082
     -0.19126      5.74612      8.80961        -0.195669     -0.014681      0.115893
      0.15901      7.07159      9.10871        -0.288155     -0.256343      0.116084
     21.11459      8.06209      8.18510        -0.170469      0.129929      0.219073
      0.09608      9.52937      8.22504        -0.905832     -1.226904     -0.862618
     20.07939      9.03712      6.35122        -0.253448     -0.269437     -0.293131
     20.42922     11.49978      6.90225        -0.028332     -0.164360     -0.070516
     19.55804     11.90213      5.89207        -0.113992      0.390134     -0.024469
     19.21591     13.23675      5.67774         0.171072      0.025978      0.099730
     20.96099     12.54747      7.67256         0.050112      0.489891     -0.189207
     20.68040     13.90928      7.36741         0.265431      0.164665      0.114180
     19.73368     14.36252      6.36279         0.093915     -0.018175      0.011094
     19.21221     15.81422      6.08078        -0.017417      0.058845     -0.130678
     18.33770     16.25122      5.01384         0.108037     -0.199069     -0.267506
     17.81374     17.56546      4.90631         0.264605     -0.239429     -0.045514
     19.48554     16.91504      6.93565        -0.114129      0.055999     -0.157966
     18.90565     18.18568      6.89882         0.165381     -0.550655     -0.050462
     18.00268     18.53711      5.90269        -0.046546      0.144922     -0.065563
     17.77912     15.32888      3.93964         0.023481     -0.020490     -0.318438
      0.26815     14.87308      8.17348         0.233994      0.005148     -0.208101
     12.52441      5.26800      4.08590         0.140627     -0.198200     -0.425940
     12.96715      3.73497     20.59416         0.219709     -0.007524      0.028232
     12.95509      6.13161     21.07952        -0.059723     -0.162818      0.230451
     12.59740      7.46014      4.41799         0.279773      0.223560     -0.282540
     13.21897      7.92706      0.11270        -0.102357     -0.011263      0.241356
     13.52994     10.33248      0.40486        -0.023953     -0.167780      0.183309
     13.09838     13.54687      8.50579         0.198931     -0.039410      0.027354
     13.06009     11.73652      7.07146         0.026108     -0.558963      0.247935
     14.21078     14.22364      3.78449         0.091345     -0.126098      0.263580
     12.95686     17.15197     11.43175         0.061961      0.084887     -0.148225
     14.74381     17.72325      6.93640         0.252735     -0.134645      0.055582
     14.73216     19.53945      8.35242         0.249750      0.200126      0.061710
     10.13126      6.87633      3.29307        -0.284988     -0.263925      0.190501
      9.51920      3.47096      6.88984         0.276584      0.185219     -0.203387
      9.61696      5.85133      7.52004         0.228109     -0.049464     -0.341080
     10.35566      8.75913      3.81267        -0.186652      0.190858      0.149267
      9.70379      7.71695      8.00144         0.156438      0.153035     -0.331420
      9.91758     10.08661      8.63167        -0.029602     -0.058563     -0.268002
     12.26859     15.79206      2.52852        -0.011138      0.049477     -0.274514
     11.55104     13.65843      3.01209        -0.165235     -0.261749     -0.290584
     10.57223     14.89255      6.96526        -0.210458      0.107090     -0.178070
     12.97933     20.22826      1.07036         0.221048      0.077715      0.145463
     11.63899     19.21914      5.63579        -0.097779     -0.095945      0.158938
     11.93051      0.16710      5.04226         0.138393      0.242063      0.343261
      9.95059      9.24520     17.30228         0.344321     -0.251797     -0.470298
     10.19875      7.76477     12.54278         0.208964     -0.080472      0.078920
     10.23521     10.14340     13.03484         0.063993     -0.273512      0.375200
     10.01183     11.38177     17.69078         0.323790      0.309189     -0.263712
     10.53418     12.02531     13.39113        -0.029928     -0.042780      0.307699
     10.76911     14.43225     13.76922         0.000768     -0.232952      0.193165
      9.54885     17.70833      0.43655        -0.011028      0.073007     -0.084900
      9.98191     15.84140     20.42655        -0.154671     -0.451433      0.140145
     11.10560     18.31142     17.11251         0.358776     -0.076731      0.356126
      9.34564      0.05526      3.42377        -0.291244     -0.009183     -0.251248
     11.15986      0.74986     20.29970        -0.124448     -0.149158     -0.069142
     10.43237      2.61012      0.21367         0.133131      0.349848     -0.180165
      7.52522     10.66719     16.01327        -0.475384     -0.182369      0.109056
      7.02114      7.26562     19.64508         0.240360      0.105876     -0.223612
      7.06730      9.63342     20.24211         0.222153      0.007655     -0.356867
      7.67206     12.72540     16.56539        -0.282461      0.126608      0.240697
      6.91217     11.45114     20.67306         0.262139      0.217504     -0.248778
      6.98228     13.75855      0.15152         0.254562      0.060084     -0.215750
      9.39928     19.92230     15.97750         0.102435     -0.011721     -0.290381
      8.71026     17.72294     16.23246         0.063374     -0.351764     -0.380492
      7.06189     18.79221     20.00130        -0.414356      0.075207     -0.218402
      9.70666      2.90841     14.28544         0.364949     -0.105069      0.312587
      8.40394      2.02304     18.89729        -0.257499     -0.111532      0.124730
      8.97985      4.20371     18.29064         0.052202      0.296833      0.449132
      6.80995     13.01227      8.77484         0.017849     -0.123579     -0.230268
      7.52981     11.36503      4.08818        -0.121306      0.033479      0.066460
      7.76244     13.75323      4.57838        -0.181446     -0.092999      0.195117
      6.84399     15.17144      9.08346         0.160406      0.179908     -0.197777
      8.01220     15.54548      4.89074        -0.291022      0.154125      0.254556
      8.04669     17.95026      5.09890        -0.303487      0.025223      0.187739
      6.28359      0.27888     12.81859         0.341620      0.051020      0.273309
      6.81717     19.60668     11.62444        -0.216769     -0.289189      0.270135
      8.20506      0.78923      8.42854         0.281268     -0.145344      0.227526
      6.44109      3.87790     16.00256        -0.061554      0.015562     -0.414311
      8.36576      4.53419     11.60545         0.137384     -0.038860     -0.103055
      7.88933      6.37684     12.87285         0.183438      0.168117      0.062254
      3.57335     14.41736      9.04938         0.107548     -0.258613      0.121545
      4.57441     11.28928     12.84787        -0.004898      0.208596     -0.307884
      4.68375     13.71946     13.22059        -0.038644     -0.017544     -0.335490
      3.90784     16.36460      9.29463        -0.024694      0.256555      0.087244
      4.74480     15.61690     13.50135         0.233565      0.178928     -0.373179
      5.13943     18.01103     13.84182        -0.088753      0.063312     -0.033807
      5.43732      2.31263      7.44032         0.157615      0.063667     -0.172802
      4.87441      0.19677      8.09368        -0.102247     -0.349289     -0.405765
      4.22369      1.58329     12.07540        -0.346794      0.038626     -0.374979
      6.92919      6.64425      5.93393         0.206093     -0.214816      0.363376
      5.47956      5.92664     10.50399        -0.117260     -0.157101      0.553609
      6.01903      8.02987      9.86594        -0.016262      0.431528      0.409725
      2.11155     16.47470      3.28814        -0.278345     -0.255538     -0.497912
      0.38083     14.88391     20.09195        -0.218315     -0.136721      0.040092
      0.45848     17.26434     20.57874        -0.049892     -0.194635      0.107108
      1.82806     18.74007      3.63038        -0.308057      0.217906     -0.271812
      0.27020     18.93629     20.79261         0.000766      0.045566      0.278435
      0.01735      0.09353     20.98493         0.006926     -0.175951      0.172563
      2.48670      3.82662      7.01307         0.020789      0.188830     -0.072262
      2.29937      2.03375      5.76341         0.170107     -0.539209      0.312333
      0.56940      4.30952      2.59984        -0.120305     -0.111828      0.129255
      3.60891      7.56832      9.55051        -0.376656      0.054846     -0.049122
      1.70512      8.37740      5.13004         0.029160     -0.159075     -0.098077
      2.47934     10.16143      6.37499        -0.008807      0.262921     -0.169889
      3.40649     17.07632     20.86277         0.370498     -0.232937      0.037782
      5.93958     13.81844      2.43017        -0.070183      0.010147     -0.006901
      6.02905     16.17287      2.98593        -0.227415      0.039767     -0.107816
      3.43963     19.29175      0.34256         0.305130      0.130701      0.171747
      6.13974     17.94750      3.51285        -0.290269      0.125566     -0.148249
      6.37943     20.23615      4.29312        -0.153054     -0.062028     -0.050884
      1.89034      5.41136      0.54589         0.223773      0.172232     -0.072983
      2.49324      3.27658      0.51837        -0.056184     -0.097698     -0.335843
      4.92981      3.91102      3.92649         0.102807      0.092029     -0.378892
      1.26565     10.28658      0.04236        -0.042366     -0.274424      0.593153
      4.47548      8.87123      3.44610         0.216685     -0.112268     -0.164180
      3.74601     11.02984      3.49842         0.134862      0.100593     -0.230392
     20.36963     19.52071     14.95311        -0.345223     -0.174127     -0.007512
     16.61711     17.81611     12.08452         0.126855      0.115456      0.287001
     16.91931     20.22963     12.36200         0.294168     -0.058389      0.080574
     20.62366      0.33645     15.11539        -0.241795      0.183170      0.147242
     16.95177      0.84770     12.82684         0.345865      0.209248      0.145507
     16.98142      3.25146     13.29676         0.259176      0.012958      0.093028
      2.43828      6.68775     17.43557        -0.061097     -0.108657      0.436839
      1.25528      4.67907     17.14379         0.182768     -0.271844     -0.047306
     19.15466      7.08642     16.12966        -0.277636     -0.027464      0.370677
      4.62342     10.03320     20.15617        -0.755103      0.099505     -0.547144
      0.15477     10.72790     18.35874        -0.617392      0.083086     -0.365765
      1.34506     12.56282     19.02328        -0.077563      0.131447      0.024848
      0.73395     21.19806     13.21690         0.197187     -0.304265      0.163552
      3.62926     17.80157     15.54384        -0.303686      0.334633     -0.192677
      4.10287     20.19405     15.81467        -0.482272      0.162611      0.225504
      0.98892      1.83881     13.57200         0.204730      0.263398      0.070027
      4.04478      0.82166     16.49673        -0.612136      0.333028      0.093341
      4.51613      3.22139     16.83073        -0.392427      0.063301      0.118779
     20.05092      8.85954     13.80603        -0.119738      0.074144      0.020048
     20.96673      6.75662     13.74295        -0.020968     -0.106406     -0.322755
      3.22209      8.19810     15.70985        -0.001678     -0.033205     -0.533107
     18.14502     13.11414     13.50068        -0.107499      0.097744      0.315116
      1.36072     12.55765     15.17218        -0.063216     -0.150406      0.066876
      0.42768     14.62119     15.32606         0.131360      0.223916      0.261080
     17.71963      2.59208      7.27578        -0.322952     -0.155440     -0.029258
     14.63352      0.91854      3.72259         0.240074      0.038983      0.059867
     14.67559      3.33124      4.25852         0.323133     -0.123060      0.075838
     17.86008      4.72212      7.53145        -0.337893      0.147492      0.022291
     14.69379      5.17463      4.56168         0.230716      0.039257      0.164729
     14.68096      7.58337      4.94564         0.276387     -0.084736      0.029347
     20.33363     10.86774     10.60913        -0.022442      0.155186      0.332410
     19.22043      9.03921      9.78489         0.206856     -0.379927      0.174031
     16.63735     11.63504      7.59857        -0.115097     -0.133097      0.213231
      1.30593     14.44316     12.69150        -0.278502     -0.046637     -0.356809
     18.30227     15.19205     10.47060         0.090969     -0.181525     -0.012688
     19.55869     17.03484     11.14680        -0.085070      0.110709      0.034301
     19.36498      4.42930      5.23902         0.131765     -0.123604      0.015136
     21.22656      0.69481      8.01625         0.044440      0.223902     -0.178322
      0.10182      3.00959      8.85310        -0.182086      0.073326     -0.110172
     19.69855      6.18898      5.72747        -0.150434      0.156279      0.342949
      0.04896      4.97366      9.54487        -0.330200      0.288874     -0.023064
      0.66047      7.30312     10.04459        -0.029814      0.071142      0.166396
     18.46959     13.32840      4.91909        -0.193425      0.195844     -0.156872
     19.06737     11.15751      5.29083        -0.119128     -0.174986     -0.300041
      0.32172     12.33866      8.54481         0.080474      0.023537     -0.416188
     17.13698     17.76539      4.07855         0.242561      0.066705      0.092111
     20.16137     16.82331      7.75249         0.222809     -0.109435      0.125201
     19.18660     18.89148      7.66097         0.078725      0.199182      0.293510
     13.96077     19.32000     10.76853        -0.047111      0.086141      0.048149
     18.87581     21.01128      3.68075        -0.028852     -0.324373     -0.476959
     12.71923      1.19768      2.67463        -0.123834     -0.015718     -0.077251
     13.63489     11.59411      4.44199        -0.047694      0.493603      0.246645
      9.59382      2.64322      2.81446         0.010646     -0.479141     -0.067075
     10.51171     12.71140      5.34422         0.164439     -0.037805     -0.059257
      9.87496      5.16044     15.89527         0.127426      0.097876      0.063093
     10.68021     15.65610     17.81923        -0.076892     -0.301621     -0.212017
      6.91304      6.45584     15.49107         0.205197     -0.368627      0.269570
      7.42013     16.62182     18.31182         0.066525     -0.001642     -0.090631
      6.65659      8.95227      7.43189         0.020209     -0.213420      0.000387
      7.54723     19.39918      9.07365         0.038961      0.198382      0.090753
      3.49456     10.17687      8.90186         0.014311     -0.445666      0.128144
      4.21687     20.50841     10.56674         0.063344      0.112227     -0.295591
      2.01606     12.35096      1.70722        -0.372406     -0.156798     -0.200479
      1.23913      1.69817      3.37579         0.138516      0.575065      0.318659
      3.70952     12.73671     20.26297         0.233117      0.064190      0.450799
      4.21505      1.89860      2.14229         0.125697      0.084317     -0.147646
     19.27343     15.43773     14.40318        -0.011069      0.035605     -0.053634
     20.05989      4.48595     16.00081        -0.140177      0.274487     -0.011287
      0.72023     17.00008     12.55443        -0.372360     -0.286107      0.039006
      2.12615      5.86432     14.55173        -0.355776     -0.109190     -0.212265
     17.34337     19.81854      5.90388         0.014892     -0.012992     -0.022885
     17.32408      8.93831      7.94520         0.064206      0.324837      0.345661
     19.38256      0.42379      4.23373         0.403742      0.269567      0.393896
     20.67259     10.09823      7.11463        -0.192282      0.354338     -0.169656
     12.34715      2.29201      4.75968        -0.072932     -0.058642     -0.130281
     13.36768      0.99904      0.41024         0.345225     -0.457872     -0.596216
     13.24260      9.88190      6.04505        -0.165562     -0.060641      0.334957
     13.77648     12.60432      2.30613         0.279823      1.518485     -0.935644
      9.79630      4.50514      1.35516        -0.056019     -0.040246     -0.384045
      9.31958      1.47922      4.87609        -0.084497     -0.474416      0.118210
     10.52540     11.65169      3.20178        -0.006564      0.140989      0.760326
     10.21913     12.89639      7.68193        -0.110703      0.709718      1.001796
      9.74968      6.31838     17.98762         0.021404     -0.325522      0.528991
     10.57828      4.90221     13.62724        -0.394934      1.144453      1.600938
     10.34638     13.90288     19.40456         0.065986     -0.082747      0.466878
     10.92602     16.65815     15.70179         0.195572      0.920208     -0.751393
      7.11413      8.33813     14.07244        -0.043610     -0.031223     -0.085948
      6.59690      5.27541     17.54093        -0.141883     -0.755219      0.335688
      7.74788     15.70612     16.13400        -0.161184      0.048731      0.410154
      7.08997     16.65275     20.64228        -0.096025      0.421429      0.587550
      6.54984     10.11941      9.50319         0.078653     -0.190207      0.599626
      7.10288      8.65859      5.14704         0.046753     -0.410062     -0.523759
      7.09691     17.70332     10.66374         0.050142     -0.251431      1.402430
      7.98892     20.32584      6.94945        -0.017746      0.696772     -0.297777
      3.09014     11.97422      7.41827        -0.170832      0.153448     -0.740112
      3.95377      9.09513     10.97869        -0.059666     -0.512700      0.137371
      4.18923     19.35288      8.48894        -0.123169      0.066253      0.805632
      4.38002     20.73216     12.89620        -0.012923     -0.561590     -0.867884
      2.96762     13.37601      3.60995         1.183347     -0.147254      1.871494
      0.38518     12.19900     21.22662         0.194610      0.078621      0.271691
      2.16288      0.12961      4.93170         0.471740      0.061074      0.731320
      0.25916      2.47726      1.38329        -0.315790      0.622713     -0.321554
      2.86412     14.56061     18.99025        -0.447729      0.255611     -0.779767
      5.03828     11.68726      0.65882         0.060386     -0.318412      0.105675
      3.06828      1.10213      0.22641        -0.355226      0.184141     -0.636792
      5.76797      1.82447      3.91726         0.423747      0.353441      0.483438
     -0.35949     16.66499     15.64040        -0.451806     -0.103869     -0.308003
     17.35750     15.08339     13.05841        -1.029770     -0.902382     -0.450762
      0.17191      2.72610     16.79845        -0.098712      0.138985      0.152795
     18.37611      5.53831     14.72085        -0.406965      0.887666     -0.150007
     20.96770     18.89627     11.56671        -0.256784      0.067119     -0.440793
      2.19293     15.77505     13.94553         0.498733     -1.425678      0.626874
      0.40630      4.76390     13.28361         1.115267      0.111560      0.588965
      4.03452      6.04276     15.92403        -0.361646     -0.294814     -0.369107
     18.23875     20.87266      7.84233         0.199268     -0.093740      0.330740
     15.86663     19.53850      4.08450        -0.239854     -0.424504     -0.526120
     18.28666      7.17946      9.22523         0.379397     -0.131220      0.921114
     15.88811      9.93063      6.38337        -0.084341      0.747603     -0.394379
     18.37449      2.34875      3.40593        -0.435861      0.510527     -0.630802
     20.60926     20.18286      5.52711         0.343077     -0.885244      0.260268
     19.37798      9.16136      5.35590         0.016636      0.090186      0.151808
      0.73509     10.12263      9.04519         0.750436      0.956930      1.134431
     13.85026     17.54565      5.28813         0.093748     -0.064972      0.074268
     15.77905     16.59533      5.58536        -0.100651      0.064274      0.002767
     14.64049     16.30755      3.71028         0.032390     -0.034736      0.567147
     11.98337     15.34639     11.39939        -0.037423     -0.049901      0.122099
     11.41896     14.58853      9.45580         0.229526      0.084194     -0.048246
     13.30354     13.92140     10.41863        -0.147727      0.199150      0.063487
     11.90232     18.08227      7.25419        -0.182608     -0.159514     -0.151599
      9.93558     18.41057      6.40412         0.334938      0.118992      0.007651
     10.26971     16.78172      7.83034        -0.010547      0.098943     -0.086476
     13.11141     18.43023      0.08040        -0.145744      0.167437      0.095576
     14.01842     16.98256      1.38101        -0.268151      0.161135      0.373449
     11.88017     16.83546      0.91477         0.470425      0.217756      0.127597
     10.41696      0.32456     18.57785         0.470659     -0.087295     -0.238399
     12.51541     -0.24125     18.88691        -0.128418     -0.191751      0.000512
     11.48073     20.49266     17.03098         0.215305     -0.166434      0.341388
      8.93803     19.33800      3.59121        -0.277944     -0.011529      0.089759
      7.93485     18.67930      1.74895         0.046569      0.127756     -0.153796
      9.90523     17.94538      2.27918        -0.273194      0.375330     -0.141561
      7.96705      0.74728     20.37665        -0.462320      0.065902     -0.065154
      6.13914      1.07963     19.17382         0.098789     -0.055004     -0.005827
      6.22640     20.74257     20.66778        -0.034455     -0.001691     -0.154901
      9.49150      1.03665     13.29978        -0.125056      0.388283     -0.543273
     10.74288     21.19052     14.61798         0.430533     -0.449553      0.353644
      8.73567     20.49505     14.18092        -0.375239     -0.262526     -0.031355
      7.94742      4.05845      9.82304         0.401591     -0.080282     -0.067012
      9.88908      3.21457     10.41075        -0.145469     -0.052558      0.026264
      8.98600      2.73792      8.47283         0.296867     -0.162831      0.441901
      6.03879      1.89428     16.08259        -0.115217     -0.083961      0.973068
      5.01085      1.55493     14.15536        -0.031815     -0.572650      0.182719
      6.76501      0.44196     14.73954        -0.058424      0.306285     -0.211279
      5.48285      4.95697     11.99081        -0.408170      0.162984      0.128621
      3.31938      4.80657     11.86497        -0.050767     -0.397485     -0.167238
      4.42464      3.37454     12.98536        -0.077461      0.276087     -0.360347
      7.13927      4.47738      5.15335        -0.095136      0.088246      0.287625
      7.21742      2.92400      6.64090         0.029439      0.101231      0.225569
      5.27231      3.62938      5.95091         0.362385     -0.408958      0.303510
     -0.35254      7.23579      4.50193         0.052077      0.077672     -0.116056
      1.46086      7.57949      3.43319        -0.342180     -0.152311     -0.197573
     -0.11382      6.28180      2.61339        -0.372997     -0.163182      0.278779
      3.32625      5.53247      9.77562         0.322530      0.277376      0.549140
      1.88674      4.44339      8.69746         0.070154     -0.044734      0.007592
      3.83259      4.72893      7.79120         0.290681     -0.172228      0.054823
      5.96699      7.02534      3.46704        -0.048721      0.092038      0.119224
      4.06746      7.39618      4.56546         0.040744      0.048688     -0.034400
      5.17261      5.67118      5.02318        -0.321234      0.603582     -0.438682
      0.72214      8.30364     20.36505        -0.391534      0.495455      0.393100
      2.41165      6.94439     -0.61223        -0.879141      0.368021     -0.074972
      0.58325      6.85482      0.61995        -0.049569     -0.067650     -0.115592
     19.50786      9.43625     18.82437         0.003545      0.142101     -0.004266
     20.11274     10.36560     16.91133        -0.219253     -0.126972      0.336195
     18.47329      8.94619     16.95023         0.251411     -0.006485      0.398621
      4.84264      7.91687     19.92033         0.100307      0.509441      0.329152
      3.64275      6.57867     18.83443         0.084678      0.668493     -0.410132
      4.66557      8.10122     17.69073        -0.301296      0.112963      0.137512
      3.33959     11.46765     14.72881        -0.201310     -0.028097     -0.165111
      2.16310     11.59769     16.56678         0.502526     -0.175077     -0.390021
      3.78068     10.17158     16.40290         0.053101     -0.162702     -0.232777
     17.40467     11.28753     13.07416         0.143413      0.007202      0.032642
     18.99160      9.91343     12.51147        -0.255839      0.156344      0.484522
     18.03144      9.77655     14.49710         0.423850      0.248441     -0.155333
     16.36427     14.26751      9.84099         0.163535     -0.067868     -0.216229
     17.94460     14.86909      8.42651        -0.100127     -0.034023      0.149849
     16.28159     13.68754      7.71969         0.080114      0.015322      0.149715
      1.61259     12.46256     12.63940         0.326064     -0.007246      0.192886
      0.06070     11.06614     12.14621         0.174225      0.378217     -0.393322
      1.26475     11.95722     10.57119        -0.200619      0.195126     -0.107980
      1.02739     15.69042      7.36552        -0.063372     -0.097676     -0.026916
     20.79662     15.70071      8.97709         0.451742     -0.015339     -0.086827
      1.15081     14.27555      9.03119        -0.040612     -0.028838     -0.375529
     17.06442     15.96727      2.97538         0.292107      0.153051     -0.111220
     18.74960     14.63761      3.25308         0.055249      0.017960      0.086487
     16.89367     14.39055      4.45356         0.294652      0.126708     -0.141789
 -----------------------------------------------------------------------------------
    total drift:                                0.010788      0.015508      0.005719


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4555.9578664921 eV

  energy  without entropy=    -4556.1074772784  energy(sigma->0) =    -4556.00773675
 
 d Force = 0.5275297E-02[-0.893E-04, 0.106E-01]  d Energy = 0.5293776E-02-0.185E-04
 d Force =-0.6690958E+02[-0.670E+02,-0.669E+02]  d Ewald  =-0.6690958E+02-0.844E-07


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   34(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.8374778E+00  (-0.1100205E+03)
 number of electron    2498.0000008 magnetization 
 augmentation part      162.8842456 magnetization 

  free energy =  -0.455512038747E+04  energy without entropy=  -0.455526797437E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   34(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) :-0.2704266E+01  (-0.3190239E+01)
 number of electron    2498.0000010 magnetization 
 augmentation part      162.9710697 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8192
  0.8192

  free energy =  -0.455782465303E+04  energy without entropy=  -0.455797258181E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   34(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3728
 total energy-change (2. order) : 0.9721333E-01  (-0.6451178E-01)
 number of electron    2498.0000010 magnetization 
 augmentation part      162.9318884 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3387
  1.1702  1.5071

  free energy =  -0.455772743969E+04  energy without entropy=  -0.455787580800E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   34(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) : 0.5062747E-02  (-0.5444477E-01)
 number of electron    2498.0000010 magnetization 
 augmentation part      162.8241964 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2612
  2.1336  0.8504  0.7997

  free energy =  -0.455772237695E+04  energy without entropy=  -0.455787030651E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   34(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) :-0.6585649E-02  (-0.1084817E-01)
 number of electron    2498.0000010 magnetization 
 augmentation part      162.8387136 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3120
  2.3562  0.9957  0.9957  0.9003

  free energy =  -0.455772896259E+04  energy without entropy=  -0.455787747833E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   34(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3624
 total energy-change (2. order) : 0.5920203E-02  (-0.6629757E-02)
 number of electron    2498.0000010 magnetization 
 augmentation part      162.8573414 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2588
  2.3818  1.0459  1.0459  0.9103  0.9103

  free energy =  -0.455772304239E+04  energy without entropy=  -0.455787150028E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   34(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3608
 total energy-change (2. order) :-0.4836696E-03  (-0.1215317E-02)
 number of electron    2498.0000010 magnetization 
 augmentation part      162.8617162 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2502
  2.4248  0.9826  0.9826  1.1716  1.1716  0.7679

  free energy =  -0.455772352606E+04  energy without entropy=  -0.455787232510E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   34(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) : 0.1224610E-03  (-0.1858181E-03)
 number of electron    2498.0000010 magnetization 
 augmentation part      162.8670422 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2241
  2.4577  1.0828  1.0828  1.1915  1.1915  0.8039  0.7586

  free energy =  -0.455772340360E+04  energy without entropy=  -0.455787207921E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   34(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) :-0.1319974E-03  (-0.1126539E-03)
 number of electron    2498.0000010 magnetization 
 augmentation part      162.8638107 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2448
  2.5148  1.6165  1.0361  1.0361  1.1501  0.9635  0.9635  0.6774

  free energy =  -0.455772353560E+04  energy without entropy=  -0.455787227259E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   34(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3648
 total energy-change (2. order) :-0.9969427E-04  (-0.1424762E-04)
 number of electron    2498.0000010 magnetization 
 augmentation part      162.8637982 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2659
  2.6337  1.9740  1.0681  1.0681  1.1795  0.9154  0.9154  0.9805  0.6581

  free energy =  -0.455772363529E+04  energy without entropy=  -0.455787238891E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   34(  11)  ---------------------------------------



 eigenvalue-minimisations  :  3344
 total energy-change (2. order) :-0.1025130E-03  (-0.8445515E-05)
 number of electron    2498.0000010 magnetization 
 augmentation part      162.8635674 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2644
  2.6348  1.8890  1.4925  1.0420  1.0420  0.9567  0.9567  1.0342  0.9290  0.6678

  free energy =  -0.455772373781E+04  energy without entropy=  -0.455787250907E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   34(  12)  ---------------------------------------



 eigenvalue-minimisations  :  2408
 total energy-change (2. order) :-0.6761853E-04  (-0.1413774E-05)
 number of electron    2498.0000010 magnetization 
 augmentation part      162.8637041 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3149
  2.7979  2.3776  1.4255  1.4255  1.0568  1.0568  0.9271  0.9271  0.8970  0.8970
  0.6756

  free energy =  -0.455772380542E+04  energy without entropy=  -0.455787259414E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   34(  13)  ---------------------------------------



 eigenvalue-minimisations  :  2424
 total energy-change (2. order) :-0.7687297E-04  (-0.1296323E-05)
 number of electron    2498.0000010 magnetization 
 augmentation part      162.8637969 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3386
  3.1474  2.4945  1.4705  1.4705  1.0373  1.0373  0.9515  0.9515  0.9998  0.9998
  0.8255  0.6770

  free energy =  -0.455772388230E+04  energy without entropy=  -0.455787268346E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   34(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2336
 total energy-change (2. order) :-0.3652825E-04  (-0.6862466E-06)
 number of electron    2498.0000010 magnetization 
 augmentation part      162.8637742 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3846
  3.8241  2.5476  1.4531  1.4531  1.0557  1.0557  1.2657  1.2657  0.8984  0.8984
  0.6885  0.7972  0.7972

  free energy =  -0.455772391882E+04  energy without entropy=  -0.455787272825E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   34(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2272
 total energy-change (2. order) :-0.2564650E-04  (-0.4868835E-06)
 number of electron    2498.0000010 magnetization 
 augmentation part      162.8636894 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4143
  4.2842  2.5789  1.8955  1.0453  1.0453  1.1329  1.1329  1.2875  0.9384  0.9384
  0.6811  0.9971  0.9971  0.8451

  free energy =  -0.455772394447E+04  energy without entropy=  -0.455787275888E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   34(  16)  ---------------------------------------



 eigenvalue-minimisations  :  2224
 total energy-change (2. order) :-0.1039030E-04  (-0.1528163E-06)
 number of electron    2498.0000010 magnetization 
 augmentation part      162.8636883 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4632
  4.7148  2.6112  2.1559  1.3657  1.3657  1.0596  1.0596  1.2935  1.2935  0.9164
  0.9164  0.8884  0.8884  0.6848  0.7350

  free energy =  -0.455772395486E+04  energy without entropy=  -0.455787276883E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   34(  17)  ---------------------------------------



 eigenvalue-minimisations  :  2240
 total energy-change (2. order) :-0.7985422E-05  (-0.1443892E-06)
 number of electron    2498.0000010 magnetization 
 augmentation part      162.8636883 magnetization 

  free energy =  -0.455772396285E+04  energy without entropy=  -0.455787277789E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.9786       2 -56.1430       3 -56.0671       4 -55.7767       5 -55.8131
       6 -56.3092       7 -58.0929       8 -58.3151       9 -56.2962      10 -55.9870
      11 -56.0114      12 -55.8089      13 -55.7597      14 -55.9230      15 -58.0545
      16 -58.0682      17 -56.3054      18 -54.8975      19 -54.8349      20 -55.1421
      21 -55.6249      22 -55.6588      23 -55.7284      24 -55.6526      25 -55.0153
      26 -54.7889      27 -54.9317      28 -54.9700      29 -60.4151      30 -60.3695
      31 -55.5991      32 -55.8103      33 -55.7186      34 -55.2429      35 -55.5155
      36 -55.9775      37 -57.8052      38 -58.1013      39 -56.0659      40 -55.7665
      41 -55.8919      42 -55.7199      43 -55.7354      44 -55.8557      45 -58.0759
      46 -58.2125      47 -56.4709      48 -55.1290      49 -54.9703      50 -55.2987
      51 -55.9054      52 -55.8567      53 -55.8040      54 -55.8008      55 -55.1622
      56 -54.8661      57 -54.9778      58 -56.3688      59 -60.3993      60 -60.6204
      61 -55.8298      62 -55.9201      63 -55.8474      64 -55.6556      65 -55.6904
      66 -56.1614      67 -58.0794      68 -58.1230      69 -56.2265      70 -55.9130
      71 -56.0278      72 -55.7295      73 -55.6623      74 -55.8831      75 -58.0717
      76 -58.2191      77 -56.5036      78 -55.0702      79 -55.0207      80 -55.3473
      81 -55.8376      82 -55.8886      83 -55.9421      84 -55.9563      85 -55.1449
      86 -55.0743      87 -55.1530      88 -56.4687      89 -60.7396      90 -60.4480
      91 -55.6071      92 -55.7201      93 -55.6409      94 -55.3966      95 -55.5062
      96 -55.9706      97 -57.8151      98 -57.9773      99 -56.0682     100 -55.8357
     101 -55.9380     102 -55.5661     103 -55.6141     104 -55.8406     105 -58.0892
     106 -58.2472     107 -56.5033     108 -55.1119     109 -54.9723     110 -55.3865
     111 -55.8818     112 -55.8010     113 -55.7978     114 -55.8976     115 -55.2407
     116 -54.9394     117 -55.0111     118 -56.3969     119 -60.4939     120 -60.5599
     121 -55.8559     122 -55.9389     123 -55.8239     124 -55.7213     125 -55.7424
     126 -56.1278     127 -58.0061     128 -58.2079     129 -56.0339     130 -55.7118
     131 -55.8051     132 -55.5907     133 -55.5246     134 -55.7264     135 -57.8823
     136 -58.0095     137 -56.4163     138 -55.0233     139 -54.9539     140 -55.2421
     141 -55.7826     142 -55.9116     143 -55.9167     144 -55.8585     145 -55.1263
     146 -55.0746     147 -55.1356     148 -56.4105     149 -60.6233     150 -60.5785
     151 -55.4952     152 -55.5860     153 -55.4659     154 -55.2903     155 -55.3966
     156 -55.8258     157 -57.8130     158 -57.8533     159 -55.8958     160 -55.6589
     161 -55.8565     162 -55.4752     163 -55.5533     164 -55.7561     165 -57.9674
     166 -58.1487     167 -56.5281     168 -55.1294     169 -54.9747     170 -55.3528
     171 -55.9977     172 -56.0129     173 -55.9275     174 -55.7963     175 -55.3016
     176 -54.7824     177 -54.9898     178 -56.3932     179 -60.4551     180 -60.6252
     181 -55.8976     182 -56.1180     183 -55.9787     184 -55.6736     185 -55.6853
     186 -56.2137     187 -58.0102     188 -58.2281     189 -56.2012     190 -55.8472
     191 -55.9635     192 -55.7360     193 -55.6679     194 -55.8581     195 -58.0110
     196 -58.1998     197 -56.4685     198 -54.9691     199 -54.9440     200 -55.3124
     201 -55.8469     202 -55.9627     203 -55.9163     204 -55.8630     205 -55.1988
     206 -55.1659     207 -55.0945     208 -56.4291     209 -60.7825     210 -60.5262
     211 -55.9269     212 -56.1059     213 -55.9593     214 -55.7162     215 -55.7148
     216 -56.2292     217 -58.0873     218 -58.3437     219 -56.1263     220 -55.8068
     221 -55.8764     222 -55.6028     223 -55.4663     224 -55.7482     225 -57.8905
     226 -58.1071     227 -56.4152     228 -54.9496     229 -54.9775     230 -55.1149
     231 -55.6373     232 -55.9462     233 -56.0109     234 -55.6388     235 -55.1874
     236 -55.0828     237 -55.1605     238 -56.4787     239 -60.3247     240 -60.3318
     241 -55.8894     242 -55.9544     243 -55.8433     244 -55.7143     245 -55.7539
     246 -56.1816     247 -58.0396     248 -58.1566     249 -56.1732     250 -55.8366
     251 -55.9465     252 -55.7281     253 -55.7165     254 -55.8732     255 -57.9900
     256 -58.0959     257 -56.3947     258 -55.0661     259 -54.8872     260 -55.1785
     261 -55.7519     262 -55.8368     263 -55.9248     264 -55.9667     265 -55.4725
     266 -54.9542     267 -55.1243     268 -56.4944     269 -60.5665     270 -60.3800
     271 -55.8575     272 -55.9425     273 -55.7654     274 -55.7300     275 -55.7092
     276 -56.0622     277 -58.1308     278 -58.1590     279 -55.8248     280 -55.5880
     281 -55.6718     282 -55.4275     283 -55.3574     284 -55.6463     285 -57.9277
     286 -58.1038     287 -56.4919     288 -55.0499     289 -54.9634     290 -55.3633
     291 -55.8620     292 -55.8433     293 -55.8458     294 -55.8009     295 -55.1285
     296 -54.8865     297 -54.9608     298 -56.3611     299 -60.3803     300 -60.5422
     301 -55.8040     302 -55.9457     303 -55.8288     304 -55.5546     305 -55.6029
     306 -56.0800     307 -58.0310     308 -58.2247     309 -56.1192     310 -55.7891
     311 -55.9166     312 -55.6583     313 -55.6054     314 -55.8160     315 -57.9435
     316 -58.0888     317 -56.4220     318 -54.9768     319 -54.8886     320 -55.2268
     321 -55.7904     322 -55.8380     323 -55.9194     324 -55.9089     325 -55.1549
     326 -55.1242     327 -55.1843     328 -56.4554     329 -60.5632     330 -60.3765
     331 -55.7811     332 -55.7986     333 -55.6727     334 -55.6207     335 -55.6070
     336 -56.0287     337 -57.9515     338 -57.9117     339 -55.8559     340 -55.5444
     341 -55.7058     342 -55.4821     343 -55.4983     344 -55.6842     345 -57.9130
     346 -57.9801     347 -56.3899     348 -54.8829     349 -54.8939     350 -55.2602
     351 -55.7451     352 -55.8267     353 -55.7700     354 -55.6803     355 -55.1581
     356 -54.7710     357 -54.9064     358 -56.3389     359 -60.3851     360 -60.4733
     361 -39.0906     362 -38.7847     363 -38.9365     364 -39.0612     365 -38.9163
     366 -38.6749     367 -38.0591     368 -38.0704     369 -38.1639     370 -38.1479
     371 -38.1916     372 -38.2620     373 -38.8163     374 -38.3222     375 -38.6326
     376 -38.8872     377 -38.8342     378 -38.7749     379 -38.1675     380 -38.2142
     381 -38.2172     382 -38.1018     383 -38.2387     384 -38.1150     385 -38.7716
     386 -38.7248     387 -38.7978     388 -38.8413     389 -38.7704     390 -38.4968
     391 -38.2108     392 -38.2425     393 -38.2608     394 -38.1492     395 -38.2627
     396 -38.3344     397 -38.6889     398 -38.3105     399 -38.6331     400 -38.8602
     401 -38.6409     402 -38.7652     403 -38.2920     404 -38.2663     405 -38.3136
     406 -38.1025     407 -38.1659     408 -38.1144     409 -38.7758     410 -38.7697
     411 -38.9607     412 -38.6685     413 -38.7939     414 -38.5334     415 -38.1533
     416 -38.2559     417 -38.0950     418 -38.2633     419 -38.2883     420 -38.2541
     421 -38.5254     422 -38.2390     423 -38.4863     424 -38.6847     425 -38.5723
     426 -38.6583     427 -38.1806     428 -38.1873     429 -38.3046     430 -38.1857
     431 -38.2336     432 -38.0545     433 -38.7630     434 -38.7070     435 -39.0126
     436 -38.7359     437 -38.9836     438 -38.6547     439 -38.4185     440 -38.1758
     441 -38.2238     442 -38.3604     443 -38.3410     444 -38.0713     445 -38.8189
     446 -38.8061     447 -38.8738     448 -38.7267     449 -38.7259     450 -38.3610
     451 -38.0297     452 -38.0109     453 -38.0552     454 -38.0628     455 -38.1346
     456 -38.1295     457 -38.8736     458 -38.6395     459 -38.8232     460 -38.9084
     461 -38.8072     462 -38.6476     463 -37.9977     464 -38.1893     465 -38.2551
     466 -38.3287     467 -38.1926     468 -38.2983     469 -38.8999     470 -38.7156
     471 -38.6999     472 -38.8126     473 -38.4763     474 -38.3151     475 -38.1422
     476 -38.1070     477 -38.2706     478 -38.1171     479 -38.1586     480 -38.0336
     481 -38.8198     482 -38.7450     483 -38.8334     484 -38.8094     485 -38.8489
     486 -38.7107     487 -38.1638     488 -38.2254     489 -38.0917     490 -38.3107
     491 -38.1325     492 -38.2575     493 -38.8166     494 -38.5942     495 -38.7504
     496 -38.7127     497 -38.5923     498 -38.5600     499 -38.0918     500 -37.9357
     501 -38.1828     502 -38.0771     503 -38.1078     504 -37.9798     505 -38.3106
     506 -41.0963     507 -71.7140     508 -71.6320     509 -71.5343     510 -71.6482
     511 -71.3911     512 -71.6788     513 -71.3912     514 -71.6736     515 -71.7102
     516 -71.5794     517 -71.4219     518 -71.6493     519 -71.6272     520 -71.7203
     521 -71.6417     522 -71.5574     523 -71.6015     524 -71.6025     525 -71.6356
     526 -71.4620     527 -71.6553     528 -71.6295     529 -71.2289     530 -71.6238
     531 -76.9935     532 -76.7536     533 -76.7087     534 -76.7117     535 -76.7802
     536 -76.4653     537 -76.9648     538 -76.7723     539 -76.8189     540 -76.9991
     541 -76.8470     542 -76.7375     543 -76.6888     544 -76.5197     545 -76.9711
     546 -76.8050     547 -76.8561     548 -76.6690     549 -76.6197     550 -76.5025
     551 -76.5102     552 -76.5220     553 -76.7758     554 -76.5475     555 -76.7417
     556 -76.7622     557 -76.8498     558 -76.6839     559 -76.9811     560 -76.7847
     561 -76.7228     562 -76.5024     563 -76.8339     564 -76.7040     565 -76.7582
     566 -76.6238     567 -76.8057     568 -76.8746     569 -76.9828     570 -76.5342
     571 -76.8985     572 -76.7038     573 -76.6841     574 -76.5898     575 -76.5113
     576 -76.5919     577 -76.5841     578 -76.4709     579 -82.4164     580 -82.4445
     581 -82.3546     582 -82.2992     583 -82.3460     584 -82.2875     585 -82.5205
     586 -82.6110     587 -82.4655     588 -82.2514     589 -82.1105     590 -82.2477
     591 -82.4505     592 -82.2851     593 -82.4032     594 -82.6735     595 -82.7255
     596 -82.5912     597 -82.5550     598 -82.4792     599 -82.4553     600 -82.4540
     601 -82.0290     602 -82.2768     603 -82.7313     604 -82.5055     605 -82.5921
     606 -82.6955     607 -82.5643     608 -82.5458     609 -82.7278     610 -82.4353
     611 -82.4131     612 -82.3822     613 -82.3621     614 -82.2068     615 -82.6400
     616 -82.5170     617 -82.4505     618 -82.9689     619 -82.9348     620 -82.6980
     621 -82.2415     622 -82.4040     623 -82.5522     624 -82.3206     625 -82.2933
     626 -82.4235     627 -82.2455     628 -82.4015     629 -82.3252     630 -82.6222
     631 -81.9986     632 -82.5034     633 -82.4301     634 -82.5523     635 -82.4004
     636 -82.2300     637 -82.2625     638 -82.1671     639 -82.2302     640 -82.3156
     641 -82.3058     642 -82.5108     643 -82.4631     644 -82.4082     645 -82.3511
     646 -82.5582     647 -82.4181     648 -82.2562     649 -82.3253     650 -82.2765
 
 
 
 E-fermi :  -1.4468     XC(G=0):  -6.4379     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.4692      2.00000
      2     -29.1885      2.00000
      3     -29.1018      2.00000
      4     -29.0455      2.00000
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      6     -29.0296      2.00000
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     10     -28.8853      2.00000
     11     -28.8592      2.00000
     12     -28.8308      2.00000
     13     -28.7827      2.00000
     14     -28.7620      2.00000
     15     -28.7456      2.00000
     16     -28.7116      2.00000
     17     -28.6870      2.00000
     18     -28.6837      2.00000
     19     -28.6623      2.00000
     20     -28.5667      2.00000
     21     -28.5615      2.00000
     22     -28.5489      2.00000
     23     -28.4706      2.00000
     24     -28.4357      2.00000
     25     -27.1909      2.00000
     26     -26.9549      2.00000
     27     -26.9354      2.00000
     28     -26.8004      2.00000
     29     -26.7985      2.00000
     30     -26.7501      2.00000
     31     -26.7489      2.00000
     32     -26.7394      2.00000
     33     -26.6799      2.00000
     34     -26.6422      2.00000
     35     -26.6358      2.00000
     36     -26.6236      2.00000
     37     -26.6076      2.00000
     38     -26.6056      2.00000
     39     -26.5986      2.00000
     40     -26.5933      2.00000
     41     -26.5803      2.00000
     42     -26.5760      2.00000
     43     -26.5572      2.00000
     44     -26.5318      2.00000
     45     -26.5181      2.00000
     46     -26.5079      2.00000
     47     -26.4944      2.00000
     48     -26.4813      2.00000
     49     -26.4765      2.00000
     50     -26.4456      2.00000
     51     -26.4252      2.00000
     52     -26.4211      2.00000
     53     -26.4179      2.00000
     54     -26.4094      2.00000
     55     -26.3970      2.00000
     56     -26.3956      2.00000
     57     -26.3833      2.00000
     58     -26.3692      2.00000
     59     -26.3632      2.00000
     60     -26.3472      2.00000
     61     -26.3353      2.00000
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     63     -26.2908      2.00000
     64     -26.2766      2.00000
     65     -26.2585      2.00000
     66     -26.2534      2.00000
     67     -26.2368      2.00000
     68     -26.2359      2.00000
     69     -26.1686      2.00000
     70     -26.1074      2.00000
     71     -26.0832      2.00000
     72     -25.9811      2.00000
     73     -23.6497      2.00000
     74     -23.5226      2.00000
     75     -23.4010      2.00000
     76     -23.3928      2.00000
     77     -23.3792      2.00000
     78     -23.2638      2.00000
     79     -23.2495      2.00000
     80     -23.2386      2.00000
     81     -23.2289      2.00000
     82     -23.1940      2.00000
     83     -23.1702      2.00000
     84     -23.1545      2.00000
     85     -23.1497      2.00000
     86     -23.1287      2.00000
     87     -23.1231      2.00000
     88     -23.1133      2.00000
     89     -23.0714      2.00000
     90     -23.0670      2.00000
     91     -23.0584      2.00000
     92     -23.0211      2.00000
     93     -23.0059      2.00000
     94     -22.9899      2.00000
     95     -22.9731      2.00000
     96     -22.9687      2.00000
     97     -22.9476      2.00000
     98     -22.9027      2.00000
     99     -22.8729      2.00000
    100     -22.8696      2.00000
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    109     -22.6581      2.00000
    110     -22.6361      2.00000
    111     -22.5807      2.00000
    112     -22.5600      2.00000
    113     -22.5204      2.00000
    114     -22.5146      2.00000
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    118     -22.4679      2.00000
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    120     -22.4054      2.00000
    121     -20.5399      2.00000
    122     -20.5332      2.00000
    123     -20.5288      2.00000
    124     -20.5250      2.00000
    125     -20.5046      2.00000
    126     -20.4431      2.00000
    127     -20.4409      2.00000
    128     -20.4287      2.00000
    129     -20.4134      2.00000
    130     -20.3993      2.00000
    131     -20.3959      2.00000
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    133     -20.3742      2.00000
    134     -20.3420      2.00000
    135     -20.3024      2.00000
    136     -20.3013      2.00000
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    138     -20.2319      2.00000
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    140     -20.2304      2.00000
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    142     -20.1980      2.00000
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    144     -20.0936      2.00000
    145     -18.6097      2.00000
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    148     -18.4932      2.00000
    149     -18.4807      2.00000
    150     -18.4747      2.00000
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    152     -18.4395      2.00000
    153     -18.4257      2.00000
    154     -18.3671      2.00000
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    156     -18.3300      2.00000
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    182     -17.5857      2.00000
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    184     -17.5497      2.00000
    185     -17.5370      2.00000
    186     -17.5265      2.00000
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    188     -17.5098      2.00000
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    190     -17.4835      2.00000
    191     -17.4772      2.00000
    192     -17.4654      2.00000
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    194     -16.7567      2.00000
    195     -16.6830      2.00000
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    197     -16.6393      2.00000
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    199     -16.6067      2.00000
    200     -16.5655      2.00000
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    203     -16.5029      2.00000
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    208     -16.1382      2.00000
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   1576       6.2859      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.085  13.408  -0.001   0.001   0.000   0.002  -0.004   0.000
 13.408  17.825  -0.001   0.002   0.000   0.002  -0.005   0.000
 -0.001  -0.001  -4.229   0.003   0.000   8.272  -0.004  -0.001
  0.001   0.002   0.003  -4.230   0.001  -0.004   8.271  -0.001
  0.000   0.000   0.000   0.001  -4.222  -0.001  -0.001   8.262
  0.002   0.002   8.272  -0.004  -0.001 -18.307   0.007   0.001
 -0.004  -0.005  -0.004   8.271  -0.001   0.007 -18.304   0.001
  0.000   0.000  -0.001  -0.001   8.262   0.001   0.001 -18.298
 total augmentation occupancy for first ion, spin component:           1
  8.531  -3.852   0.170   0.131  -0.058   0.021   0.025  -0.009
 -3.852   1.812  -0.088  -0.089   0.033  -0.009  -0.015   0.005
  0.170  -0.088   1.789  -0.060  -0.035   0.169  -0.011  -0.006
  0.131  -0.089  -0.060   1.915  -0.073  -0.011   0.180  -0.010
 -0.058   0.033  -0.035  -0.073   1.222  -0.007  -0.010   0.081
  0.021  -0.009   0.169  -0.011  -0.007   0.018  -0.002  -0.001
  0.025  -0.015  -0.011   0.180  -0.010  -0.002   0.018  -0.001
 -0.009   0.005  -0.006  -0.010   0.081  -0.001  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -53620.22315105959.36836 31397.59156-12624.83773  6757.39405 23845.08056
  Hartree  1712.04832132931.72477 69573.35440-12911.95960  4720.80747 18299.81780
  E(xc)  -10740.15629-10596.43274-10639.13524     2.37854     8.01904    30.85571
  Local   18514.11549************************ 25522.09267-11509.22597-41583.92428
  n-local -5856.95337 -5981.50920 -6040.84706     5.56040    15.27318   -59.70890
  augment  1490.41260  1538.77506  1486.55670     4.89437    13.31121    -1.40124
  Kinetic 45555.51708 43256.16871 43753.04144   -27.14886   -74.33080  -539.07927
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -37.3805973   -411.3626311    -81.3680067    -29.0202260    -68.7518138     -8.3596209
  in kB       -6.2335138    -68.5980114    -13.5687664     -4.8393550    -11.4649153     -1.3940337
  external PRESSURE =     -29.4667639 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.269E+03 -.121E+03 0.251E+03   0.269E+03 0.121E+03 -.252E+03   -.852E-01 -.489E+00 0.135E+01   -.961E-04 -.571E-04 0.578E-05
   -.224E+03 -.145E+03 0.518E+02   0.224E+03 0.146E+03 -.514E+02   0.159E+00 -.104E+01 -.479E+00   -.101E-03 -.151E-04 0.104E-03
   -.192E+03 -.131E+03 0.409E+01   0.192E+03 0.132E+03 -.260E+01   0.381E+00 -.119E+01 -.166E+01   -.107E-03 0.192E-04 0.110E-03
   -.247E+03 -.108E+03 0.349E+03   0.247E+03 0.109E+03 -.352E+03   -.198E+00 0.140E+00 0.235E+01   -.138E-03 -.165E-04 -.817E-04
   -.199E+03 -.153E+03 0.313E+03   0.199E+03 0.154E+03 -.314E+03   0.225E+00 -.929E+00 0.114E+01   -.162E-03 0.817E-05 -.312E-04
   -.176E+03 -.119E+03 0.172E+03   0.176E+03 0.119E+03 -.172E+03   0.109E+00 0.495E-02 0.162E+00   -.127E-03 -.281E-05 0.613E-04
   -.280E+03 -.137E+03 0.183E+03   0.280E+03 0.142E+03 -.184E+03   0.359E+00 -.438E+01 0.714E+00   -.379E-04 -.566E-04 0.153E-04
   -.203E+03 -.118E+03 0.290E+02   0.204E+03 0.123E+03 -.316E+02   -.350E+00 -.392E+01 0.197E+01   -.864E-04 -.501E-04 0.176E-03
   -.126E+03 0.760E+01 0.202E+03   0.126E+03 -.767E+01 -.202E+03   0.806E-01 0.331E-01 -.322E-01   -.885E-04 0.296E-04 0.976E-04
   -.102E+03 0.910E+02 0.682E+02   0.101E+03 -.923E+02 -.671E+02   0.445E+00 0.125E+01 -.124E+01   -.510E-04 0.230E-04 0.135E-03
   -.113E+03 0.121E+03 0.139E+03   0.112E+03 -.122E+03 -.139E+03   0.282E+00 0.869E+00 -.350E+00   -.298E-05 0.563E-04 0.139E-03
   -.130E+03 0.531E+01 0.340E+03   0.131E+03 -.556E+01 -.342E+03   -.534E-02 0.553E+00 0.120E+01   -.842E-04 0.144E-04 0.688E-04
   -.134E+03 -.272E+02 0.375E+03   0.134E+03 0.280E+02 -.377E+03   -.162E+00 -.100E+01 0.221E+01   -.208E-04 0.918E-04 0.978E-04
   -.139E+03 0.407E+02 0.314E+03   0.139E+03 -.410E+02 -.316E+03   -.833E-01 0.430E-01 0.142E+01   0.245E-04 0.121E-03 0.108E-03
   -.141E+03 0.116E+03 0.282E+03   0.140E+03 -.120E+03 -.284E+03   0.543E+00 0.397E+01 0.212E+01   0.251E-04 0.221E-04 0.101E-03
   -.109E+03 0.132E+03 0.106E+03   0.109E+03 -.135E+03 -.109E+03   0.317E+00 0.299E+01 0.314E+01   -.326E-05 0.472E-04 0.969E-04
   -.108E+03 0.124E+03 0.641E+02   0.108E+03 -.119E+03 -.600E+02   -.633E+00 -.489E+01 -.388E+01   0.328E-04 0.147E-04 -.535E-06
   -.351E+02 0.208E+03 -.154E+03   0.344E+02 -.210E+03 0.156E+03   0.679E+00 0.168E+01 -.197E+01   0.132E-04 -.354E-04 0.359E-05
   -.316E+01 0.154E+03 -.209E+03   0.273E+01 -.154E+03 0.212E+03   0.297E+00 0.203E+00 -.190E+01   -.483E-05 -.445E-04 -.726E-04
   -.939E+02 0.128E+03 0.195E+03   0.948E+02 -.127E+03 -.198E+03   -.997E+00 -.916E+00 0.347E+01   0.446E-04 0.308E-04 -.254E-04
   -.250E+02 0.889E+02 -.513E+01   0.236E+02 -.907E+02 0.634E+01   0.138E+01 0.180E+01 -.107E+01   0.473E-04 -.279E-05 -.747E-04
   -.335E+02 0.180E+02 -.152E+03   0.336E+02 -.183E+02 0.153E+03   -.334E+00 0.112E+00 -.758E+00   0.200E-04 -.289E-04 -.814E-04
   -.667E+02 -.269E+02 -.190E+03   0.670E+02 0.272E+02 0.190E+03   -.313E+00 -.559E+00 0.664E+00   0.350E-04 -.307E-05 -.830E-04
   -.598E+02 -.719E+02 -.249E+03   0.610E+02 0.737E+02 0.248E+03   -.119E+01 -.182E+01 0.107E+01   -.215E-04 -.570E-04 -.950E-04
   -.362E+02 -.155E+03 -.359E+03   0.358E+02 0.155E+03 0.361E+03   0.549E+00 -.595E+00 -.199E+01   -.203E-05 0.222E-04 -.535E-04
   -.128E+03 -.171E+03 -.173E+03   0.129E+03 0.171E+03 0.171E+03   -.684E+00 -.520E+00 0.189E+01   0.658E-04 0.310E-06 -.353E-04
   -.103E+03 -.292E+03 -.209E+03   0.103E+03 0.293E+03 0.209E+03   -.153E+00 -.972E+00 0.275E+00   0.492E-04 0.127E-03 -.381E-04
   -.587E+02 -.263E+03 -.316E+03   0.587E+02 0.264E+03 0.317E+03   -.775E-01 -.126E+01 -.628E+00   0.524E-04 0.220E-03 -.670E-04
   -.546E+02 -.173E+02 -.237E+03   0.602E+02 0.254E+02 0.232E+03   -.562E+01 -.801E+01 0.517E+01   -.982E-04 -.125E-04 -.825E-04
   -.302E+02 0.514E+02 0.385E+02   0.250E+02 -.604E+02 -.342E+02   0.502E+01 0.907E+01 -.442E+01   0.102E-03 -.148E-03 -.311E-04
   -.220E+03 -.315E+02 -.468E+02   0.221E+03 0.320E+02 0.487E+02   0.144E-01 -.193E+00 -.170E+01   -.228E-04 -.748E-04 0.188E-03
   -.154E+03 -.157E+03 0.129E+03   0.154E+03 0.158E+03 -.129E+03   0.687E-01 -.126E+01 -.108E+00   -.523E-04 0.829E-06 0.104E-03
   -.172E+03 -.155E+03 0.167E+03   0.172E+03 0.157E+03 -.168E+03   0.110E+00 -.171E+01 0.984E+00   -.548E-04 0.111E-04 0.106E-03
   -.328E+03 0.644E+01 -.166E+03   0.328E+03 -.826E+01 0.169E+03   0.417E+00 0.205E+01 -.297E+01   0.109E-03 -.919E-04 0.233E-03
   -.313E+03 -.711E+02 -.196E+03   0.312E+03 0.711E+02 0.198E+03   0.360E+00 -.146E+00 -.140E+01   0.151E-03 -.668E-04 0.192E-03
   -.239E+03 -.699E+02 -.185E+02   0.239E+03 0.698E+02 0.186E+02   0.274E+00 0.232E+00 -.174E+00   0.255E-04 -.485E-04 0.140E-03
   -.117E+03 -.504E+02 -.518E+01   0.118E+03 0.538E+02 0.824E+01   -.442E+00 -.421E+01 -.267E+01   -.956E-04 -.587E-04 0.254E-03
   -.715E+02 -.144E+03 0.114E+03   0.718E+02 0.147E+03 -.110E+03   -.230E+00 -.301E+01 -.374E+01   -.834E-04 0.666E-04 0.377E-04
   -.208E+03 0.491E+02 -.279E+02   0.208E+03 -.494E+02 0.281E+02   0.831E-01 0.130E+00 0.320E-01   0.211E-04 -.184E-04 0.131E-03
   -.119E+03 0.639E+02 0.179E+03   0.119E+03 -.649E+02 -.180E+03   0.201E+00 0.115E+01 0.183E+01   -.600E-04 -.199E-04 0.118E-03
   -.814E+02 0.890E+02 0.993E+02   0.815E+02 -.904E+02 -.996E+02   -.241E+00 0.119E+01 0.477E+00   -.289E-04 -.173E-04 0.951E-04
   -.236E+03 0.856E+02 -.240E+03   0.236E+03 -.865E+02 0.240E+03   0.153E-01 0.107E+01 -.967E+00   0.108E-03 -.728E-04 0.165E-03
   -.191E+03 0.418E+02 -.310E+03   0.191E+03 -.420E+02 0.312E+03   0.152E+00 0.973E-01 -.227E+01   0.489E-04 -.530E-04 0.158E-03
   -.113E+03 0.673E+02 -.166E+03   0.113E+03 -.683E+02 0.167E+03   0.139E+00 0.792E+00 -.125E+01   -.556E-05 -.172E-04 0.105E-03
   -.565E+02 0.110E+03 -.105E+03   0.561E+02 -.114E+03 0.106E+03   0.371E+00 0.472E+01 -.445E+00   -.309E-04 -.852E-04 0.560E-04
   -.155E+02 0.882E+02 0.123E+03   0.150E+02 -.927E+02 -.120E+03   0.438E+00 0.412E+01 -.193E+01   -.264E-04 0.148E-04 0.267E-04
   0.400E+02 0.573E+02 0.970E+02   -.386E+02 -.515E+02 -.987E+02   -.114E+01 -.568E+01 0.166E+01   0.157E-05 -.288E-04 0.234E-04
   0.440E+01 0.137E+03 0.279E+03   -.341E+01 -.138E+03 -.282E+03   -.880E+00 0.122E+01 0.238E+01   0.392E-04 -.634E-05 0.291E-05
   -.341E+02 0.133E+03 0.246E+03   0.353E+02 -.133E+03 -.247E+03   -.123E+01 -.239E+00 0.168E+01   0.557E-04 -.227E-04 -.725E-06
   0.435E+02 0.819E+02 -.656E+02   -.442E+02 -.820E+02 0.690E+02   0.508E+00 0.327E+00 -.357E+01   -.377E-04 -.477E-05 0.433E-04
   0.917E+01 0.369E+02 0.190E+02   -.855E+01 -.381E+02 -.210E+02   -.532E+00 0.123E+01 0.198E+01   -.205E-04 0.775E-05 0.326E-04
   -.450E+01 0.195E+02 0.903E+02   0.489E+01 -.192E+02 -.912E+02   -.247E+00 -.378E+00 0.923E+00   0.332E-04 -.551E-05 0.125E-04
   -.990E+02 -.422E+01 0.465E+02   0.990E+02 0.414E+01 -.459E+02   -.640E-02 0.278E-01 -.720E+00   0.207E-04 -.139E-04 0.233E-04
   -.204E+03 -.201E+02 0.108E+03   0.203E+03 0.211E+02 -.106E+03   0.725E+00 -.116E+01 -.186E+01   0.666E-04 -.690E-04 0.207E-04
   -.280E+03 -.792E+02 0.182E+03   0.281E+03 0.795E+02 -.185E+03   -.113E+01 -.228E+00 0.339E+01   0.902E-04 -.786E-04 0.223E-04
   -.101E+03 -.128E+03 -.126E+03   0.101E+03 0.128E+03 0.128E+03   0.534E+00 0.528E+00 -.187E+01   -.385E-04 0.370E-04 0.611E-04
   -.140E+03 -.134E+03 -.166E+03   0.139E+03 0.135E+03 0.169E+03   0.307E+00 -.100E+01 -.283E+01   -.603E-04 0.707E-05 0.152E-03
   -.214E+03 -.614E+02 0.391E+02   0.213E+03 0.553E+02 -.373E+02   0.113E+01 0.616E+01 -.178E+01   -.233E-05 -.606E-04 0.939E-04
   -.231E+03 0.174E+02 0.157E+03   0.229E+03 -.117E+02 -.149E+03   0.237E+01 -.616E+01 -.884E+01   0.758E-04 0.132E-04 0.212E-04
   -.539E+02 0.773E+01 -.681E+02   0.563E+02 -.148E+02 0.599E+02   -.245E+01 0.692E+01 0.839E+01   -.129E-03 -.619E-04 0.270E-04
   -.398E+03 -.740E+02 0.818E+02   0.398E+03 0.741E+02 -.831E+02   0.406E-01 -.154E+00 0.110E+01   0.316E-03 0.382E-05 -.635E-04
   -.396E+03 -.104E+03 -.879E+02   0.397E+03 0.105E+03 0.884E+02   0.436E-01 -.118E+01 -.649E+00   0.153E-03 -.128E-04 -.756E-05
   -.357E+03 -.956E+02 -.128E+03   0.357E+03 0.968E+02 0.129E+03   0.104E+00 -.108E+01 -.168E+01   0.354E-04 -.180E-07 0.497E-04
   -.331E+03 -.665E+02 0.168E+03   0.331E+03 0.666E+02 -.169E+03   -.483E-01 0.562E-01 0.205E+01   0.333E-03 -.861E-05 -.107E-03
   -.277E+03 -.115E+03 0.132E+03   0.277E+03 0.115E+03 -.133E+03   0.185E+00 -.812E+00 0.110E+01   0.138E-03 -.587E-04 -.110E-03
   -.300E+03 -.838E+02 0.488E+01   0.300E+03 0.838E+02 -.475E+01   -.126E+00 0.689E-01 0.312E+00   0.253E-04 -.269E-04 -.162E-04
   -.414E+03 -.115E+03 -.879E+01   0.412E+03 0.123E+03 0.118E+02   0.422E-01 -.402E+01 0.474E+00   0.476E-03 -.105E-03 -.248E-03
   -.402E+03 -.855E+02 -.478E+02   0.404E+03 0.896E+02 0.444E+02   -.728E+00 -.372E+01 0.217E+01   0.131E-03 0.441E-04 0.435E-04
   -.245E+03 0.425E+02 0.309E+02   0.245E+03 -.427E+02 -.309E+02   0.292E-01 0.111E+00 0.335E-01   -.775E-04 -.218E-04 0.259E-04
   -.269E+03 0.120E+03 -.615E+02   0.269E+03 -.121E+03 0.627E+02   0.289E+00 0.150E+01 -.130E+01   -.124E-03 -.570E-04 0.391E-04
   -.277E+03 0.141E+03 0.579E+01   0.277E+03 -.143E+03 -.596E+01   0.167E+00 0.122E+01 -.129E+00   -.145E-03 -.909E-04 0.518E-04
   -.193E+03 0.415E+02 0.134E+03   0.194E+03 -.417E+02 -.135E+03   -.651E-01 0.492E+00 0.127E+01   -.924E-04 -.747E-04 -.144E-04
   -.194E+03 -.866E+01 0.146E+03   0.194E+03 0.953E+01 -.148E+03   -.190E+00 -.112E+01 0.240E+01   -.114E-03 -.299E-04 -.385E-04
   -.258E+03 0.457E+02 0.128E+03   0.258E+03 -.461E+02 -.130E+03   -.122E+00 0.303E+00 0.146E+01   -.129E-03 -.460E-04 -.455E-05
   -.281E+03 0.982E+02 0.119E+03   0.280E+03 -.102E+03 -.121E+03   0.302E+00 0.423E+01 0.222E+01   -.144E-03 -.133E-03 -.339E-04
   -.303E+03 0.148E+03 0.701E+02   0.303E+03 -.151E+03 -.735E+02   0.990E-01 0.319E+01 0.342E+01   -.144E-03 -.129E-03 0.427E-04
   -.303E+03 0.106E+03 0.101E+03   0.303E+03 -.101E+03 -.975E+02   0.286E-01 -.481E+01 -.378E+01   -.685E-04 -.103E-03 0.329E-04
   -.182E+03 0.206E+03 0.311E+02   0.181E+03 -.208E+03 -.290E+02   0.585E+00 0.168E+01 -.196E+01   -.596E-04 -.130E-03 0.642E-04
   -.871E+02 0.124E+03 0.565E+02   0.862E+02 -.124E+03 -.546E+02   0.814E+00 0.280E+00 -.194E+01   -.162E-04 -.123E-03 0.807E-05
   -.341E+03 0.888E+02 0.198E+03   0.343E+03 -.880E+02 -.201E+03   -.109E+01 -.833E+00 0.326E+01   0.863E-05 0.727E-04 -.540E-04
   -.275E+03 0.734E+02 0.108E+03   0.274E+03 -.753E+02 -.107E+03   0.876E+00 0.182E+01 -.766E+00   0.522E-04 0.766E-04 -.821E-04
   -.171E+03 0.704E+01 0.874E+02   0.171E+03 -.732E+01 -.868E+02   0.546E-01 0.939E-01 -.469E+00   0.460E-04 -.285E-04 -.295E-04
   -.142E+03 -.190E+01 0.122E+03   0.142E+03 0.216E+01 -.123E+03   -.305E+00 -.105E+00 0.813E+00   0.266E-04 -.362E-04 0.192E-04
   -.637E+02 -.375E+02 0.883E+02   0.647E+02 0.392E+02 -.899E+02   -.882E+00 -.208E+01 0.148E+01   -.543E-04 -.522E-04 0.175E-03
   -.144E+02 -.604E+02 -.215E+02   0.135E+02 0.593E+02 0.251E+02   0.712E+00 0.102E+01 -.382E+01   -.123E-03 -.374E-04 0.237E-03
   -.218E+03 -.132E+03 0.163E+03   0.219E+03 0.132E+03 -.165E+03   -.124E+01 -.243E+00 0.217E+01   0.502E-04 0.666E-04 -.422E-04
   -.126E+03 -.215E+03 0.196E+03   0.126E+03 0.217E+03 -.198E+03   -.448E+00 -.163E+01 0.199E+01   -.228E-04 0.857E-04 -.117E-04
   -.289E+02 -.959E+02 0.103E+03   0.291E+02 0.913E+02 -.107E+03   -.308E+00 0.456E+01 0.396E+01   -.818E-04 0.540E-04 0.123E-03
   -.367E+02 -.306E+02 0.799E+02   0.419E+02 0.392E+02 -.855E+02   -.486E+01 -.855E+01 0.571E+01   -.537E-04 0.168E-04 0.191E-03
   -.335E+03 0.456E+02 0.965E+02   0.332E+03 -.549E+02 -.921E+02   0.324E+01 0.944E+01 -.466E+01   0.954E-05 -.846E-05 -.165E-03
   -.249E+03 -.225E+02 -.119E+03   0.250E+03 0.226E+02 0.120E+03   0.114E-01 -.706E-01 -.159E+01   0.212E-04 0.286E-04 0.121E-03
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   -.772E+02 -.225E+01 0.127E+03   0.102E+03 -.932E+01 -.173E+03   -.244E+02 0.118E+02 0.457E+02   0.199E-03 0.149E-03 -.120E-03
   -.293E+03 -.411E+03 0.416E+03   0.322E+03 0.441E+03 -.448E+03   -.294E+02 -.299E+02 0.313E+02   0.112E-03 -.477E-03 -.914E-04
   0.173E+03 -.501E+03 -.104E+03   -.200E+03 0.531E+03 0.138E+03   0.277E+02 -.299E+02 -.332E+02   0.385E-03 -.358E-03 -.257E-03
   -.263E+03 -.128E+03 -.115E+02   0.297E+03 0.105E+03 0.437E+02   -.337E+02 0.229E+02 -.326E+02   0.109E-03 -.191E-03 -.318E-03
   -.279E+02 -.133E+03 0.854E+03   -.658E+00 0.157E+03 -.893E+03   0.289E+02 -.248E+02 0.385E+02   0.234E-04 0.226E-03 -.226E-03
   -.219E+03 0.201E+03 0.660E+03   0.256E+03 -.227E+03 -.687E+03   -.369E+02 0.254E+02 0.273E+02   0.102E-03 0.226E-04 -.308E-05
   0.922E+02 0.414E+03 0.298E+03   -.126E+03 -.446E+03 -.279E+03   0.337E+02 0.325E+02 -.191E+02   0.161E-03 0.148E-03 0.668E-05
 -----------------------------------------------------------------------------------------------
   0.654E+01 0.122E+01 -.238E+01   0.374E-11 0.443E-11 0.449E-11   -.654E+01 -.122E+01 0.238E+01   0.613E-02 0.956E-03 0.688E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.95340      3.15643      1.41144         0.007032      0.053011     -0.064255
     12.75471      3.57591      2.72093         0.031491      0.226542     -0.054614
     12.70809      4.95035      3.04079         0.080115      0.004585     -0.168863
     12.97993      4.07274      0.37127        -0.019531      0.319093     -0.050110
     12.92240      5.44107      0.67283         0.025371     -0.271829      0.100234
     12.83961      5.92979      2.00422         0.057400      0.107395      0.057799
     13.06300      1.67560      1.36874        -0.071566      0.320026     -0.076134
     12.57401      2.32951      3.55167         0.153312      0.351470     -0.632688
     12.93725      7.43398      2.24446         0.104098     -0.040280     -0.200645
     12.90061      8.04784      3.53108         0.112552     -0.139592     -0.120605
     13.21078      9.41027      3.67219         0.008086     -0.228674     -0.333502
     13.16589      8.30557      1.13815         0.158261      0.306076      0.098174
     13.38666      9.68912      1.28296        -0.104109     -0.290149     -0.149447
     13.43276     10.22243      2.56540         0.036490     -0.189188     -0.098458
     13.65665     11.61883      3.01535         0.042850      0.193493     -0.316531
     13.36682     10.25849      4.88915        -0.229531     -0.427072      0.040364
     13.72850     12.74696      5.30164        -0.115387     -0.131135      0.248044
     13.40553     12.66077      6.66001        -0.029403     -0.008281      0.050839
     13.42328     13.76606      7.50611        -0.141398      0.097505      0.244767
     14.02745     14.03742      4.84723        -0.067905     -0.192612      0.378661
     14.03191     15.14112      5.72394        -0.047342      0.031326      0.143134
     13.77103     15.08414      7.13496        -0.239669     -0.173847      0.380553
     13.80491     16.22537      8.20266        -0.007156     -0.325057      0.019620
     13.26081     16.16794      9.54725        -0.013536     -0.018916     -0.121012
     13.35965     17.26676     10.43050         0.085541     -0.145824     -0.143546
     14.37375     17.49120      7.92095         0.139852     -0.232980      0.018520
     14.39128     18.59328      8.77183         0.049223     -0.218626      0.012296
     13.91808     18.48637     10.06696        -0.055227     -0.175888     -0.022835
     12.49938     15.01814     10.18466        -0.015603      0.089659      0.336659
     14.54923     16.37163      5.06824        -0.118988      0.054372     -0.116078
      9.66495      3.85616      4.79383         0.161368      0.314969      0.152917
      9.77225      4.78920      3.77535         0.021281      0.238382      0.183778
      9.92946      6.15091      4.09127        -0.028653     -0.115245      0.051344
      9.68153      4.23072      6.12865         0.140300      0.238231     -0.042375
      9.74881      5.58552      6.45493         0.147711     -0.147083     -0.126038
      9.90592      6.57815      5.45121         0.003259      0.127749     -0.058858
      9.48197      2.51484      4.24063        -0.014336     -0.818007      0.392502
      9.71188      4.03988      2.47641        -0.008655      0.025964      0.344214
     10.01813      8.03105      5.83609        -0.077501     -0.227998      0.158076
     10.21009      9.03763      4.86078        -0.006862      0.147834      0.031665
     10.28017     10.37501      5.24564        -0.166516     -0.160593      0.108724
      9.90272      8.44349      7.19482         0.080367      0.208339     -0.139028
      9.98413      9.79366      7.57540         0.122789     -0.139509     -0.180964
     10.16516     10.75168      6.57926         0.145383     -0.211671      0.012049
     10.28766     12.22169      6.67201         0.020864     -0.081480      0.004443
     10.44697     11.61214      4.42283        -0.109244     -0.426434      1.344037
     10.79902     14.07543      4.99755         0.219630      0.092185     -0.060013
     11.31169     14.41338      3.74432         0.105795      0.167747     -0.120264
     11.72538     15.71206      3.44886        -0.063878      0.157449     -0.129488
     10.77102     15.13117      5.92320        -0.153490      0.170987     -0.144489
     11.06750     16.47465      5.57657         0.091556     -0.009313     -0.026272
     11.57389     16.85193      4.26379         0.141349     -0.044547      0.006095
     12.03466     18.24795      3.74420        -0.080238     -0.050934     -0.144090
     12.53572     18.65103      2.43060         0.031033     -0.171377      0.132015
     12.74506     20.00723      2.10122         0.148075      0.043411      0.144044
     11.93416     19.35031      4.61070        -0.096207     -0.025692     -0.039732
     12.17249     20.68273      4.29584        -0.129987      0.015528     -0.147762
     12.55997     21.06248      3.01437         0.111661      0.036602      0.029979
     12.89253     17.75320      1.23579         0.069475     -0.396408     -0.351406
     10.81094     17.41680      6.74674        -0.100107     -0.177950      0.202068
     10.27424      7.12495     14.62259         0.106347     -0.040009     -0.246499
     10.15332      7.55427     15.93899         0.054551     -0.122354     -0.142022
     10.15401      8.92894     16.26042         0.019082      0.129768     -0.094894
     10.28323      8.06908     13.59009         0.037938      0.117364      0.211136
     10.27403      9.44333     13.89695         0.017058     -0.260274      0.141559
     10.26533      9.92846     15.23166        -0.092778      0.042103      0.434071
     10.30426      5.59843     14.57576        -1.320993      3.322869      3.514823
      9.92462      6.30808     16.78391         0.308984      0.364161     -1.181926
     10.33081     11.44436     15.51679         0.138823     -0.048914      0.010653
     10.27751     12.02469     16.83039         0.188814     -0.139237     -0.140866
     10.48295     13.41181     17.01761         0.045535     -0.274420     -0.295356
     10.50268     12.36216     14.43557         0.114794      0.239049      0.138835
     10.66345     13.74990     14.62675        -0.084734     -0.252308     -0.125274
     10.67479     14.25435     15.92564         0.014786     -0.121993     -0.128264
     10.79997     15.66190     16.38808         0.054238      0.100729     -0.188137
     10.50053     14.27788     18.25120         0.018337     -0.272748     -0.018877
     10.65050     16.83968     18.64243        -0.005627      0.117025      0.056811
     10.20278     16.78503     19.95969        -0.143188      0.183996      0.085096
      9.99620     17.92947     20.73630        -0.123154      0.132847      0.053178
     10.94320     18.14718     18.18243         0.021382     -0.031598      0.283443
     10.86908     19.28233     19.02676         0.000157     -0.022573      0.408423
     10.36737     19.25069     20.39359        -0.134115     -0.184674      0.149240
     10.17115     20.40692      0.16980         0.099174      0.147852     -0.019092
      9.63544     20.32813      1.52395         0.173441     -0.293905     -0.042835
      9.52344      0.19935      2.36276        -0.209348     -0.059551     -0.297168
     10.54129      0.49801     21.14229        -0.072593     -0.302858      0.180128
     10.20474      1.63330      0.62567         0.216563     -0.107140      0.058677
      9.71295      1.51726      1.92467        -0.013565      0.043831     -0.043844
      9.10770     19.09023      2.26528         0.327747      0.061645      0.034473
     11.34747     20.55455     18.38718         0.189451      0.145861     -0.232498
      7.03588      7.64611     17.51138         0.296621      0.107193     -0.051445
      7.11334      8.59099     16.50088         0.050889      0.283298     -0.036902
      7.25914      9.95606     16.80557         0.122898      0.004614     -0.038918
      7.12334      8.01925     18.84612         0.214221      0.249094      0.182007
      7.16278      9.38554     19.16598         0.179293     -0.168664     -0.240604
      7.23882     10.39570     18.16070         0.008826      0.039049     -0.067768
      6.79896      6.31105     16.92039         0.310272     -0.103782      0.150524
      7.03166      7.85687     15.18603         0.201890     -0.176950      0.744323
      7.27435     11.86482     18.54565        -0.099311     -0.204257     -0.098667
      7.43229     12.93503     17.61488        -0.095817      0.119963      0.122273
      7.37469     14.26717     18.06221        -0.102965     -0.293417     -0.060214
      7.11689     12.21665     19.90636         0.100714      0.248165     -0.104039
      7.11387     13.54728     20.34608         0.143641     -0.226926     -0.174601
      7.20209     14.56803     19.40845         0.099019     -0.105202      0.020570
      7.20834     16.04170     19.59070         0.027933     -0.563052     -0.358772
      7.52313     15.56981     17.32679        -0.337926     -0.584562      1.000227
      7.60745     18.02478     18.05622         0.107749      0.049289      0.107273
      8.29272     18.43831     16.91673         0.077062      0.281788     -0.080699
      8.63367     19.77314     16.71187        -0.073641     -0.064309     -0.111864
      7.31323     19.05572     18.97328        -0.186451      0.220915     -0.295358
      7.46541     20.43119     18.63083         0.155504     -0.216204      0.034235
      8.17021     20.87364     17.44539         0.125145      0.089164      0.035381
      8.62204      1.02393     16.97109         0.004107     -0.190802      0.073906
      9.13838      1.33804     15.65921         0.082159      0.441770     -0.078948
      9.52195      2.68304     15.33639         0.188510     -0.034731     -0.179703
      8.64693      2.14119     17.84987        -0.044699      0.024651     -0.381768
      9.06311      3.43933     17.53139         0.055226     -0.358624     -0.289864
      9.51825      3.76664     16.24722         0.299356      0.131795     -0.050439
      9.48132      0.38825     14.46108         0.743095     -0.188613      0.147553
      6.93633      0.10685     19.68847        -0.357470     -0.135466      0.095440
      6.97215     10.86358      6.11737         0.018230      0.164757      0.011553
      6.80409     11.31858      7.41773         0.089912      0.280923     -0.046713
      6.92315     12.68398      7.73347        -0.046967     -0.140194     -0.032787
      7.30598     11.74146      5.09339        -0.066680      0.144515      0.064923
      7.43452     13.10211      5.40031        -0.181551     -0.160992      0.097251
      7.22327     13.62343      6.70686        -0.115380      0.259000      0.074634
      6.91531      9.38727      6.11401         0.091313     -0.038265     -0.698085
      6.64694     10.10538      8.28497         0.044832      0.400644      0.168113
      7.32303     15.12550      6.94065        -0.138302     -0.063050      0.038124
      7.09733     15.76644      8.19397         0.004913      0.008706      0.050258
      7.21762     17.16979      8.31162         0.031328     -0.245774     -0.216847
      7.65993     15.97386      5.84946        -0.130762      0.190489      0.147567
      7.68165     17.36915      5.95652        -0.048856     -0.223383     -0.070861
      7.46832     17.96468      7.20331        -0.057699     -0.196994      0.002771
      7.69092     19.37090      7.65499         0.017521      0.232605     -0.629183
      7.27331     18.06650      9.51315        -0.128924     -0.727558      0.558479
      7.61104     20.58162      9.91002        -0.090594      0.151119      0.153792
      7.13470     20.55598     11.22275        -0.000362      0.262539      0.149153
      6.96057      0.45249     11.99754         0.224679      0.110787      0.041182
      7.99799      0.60867      9.49402         0.117228     -0.007504      0.027960
      8.04588      1.71896     10.38861        -0.079487      0.028264     -0.003749
      7.49123      1.74142     11.71674         0.053016      0.046335      0.160934
      7.42680      2.95004     12.75820        -0.154904     -0.068337      0.551994
      6.89437      2.90060     14.12415         0.027536     -0.473751     -0.451297
      6.76049      4.02850     14.96902        -0.004224     -0.310235     -0.497989
      7.87736      4.28510     12.51451        -0.104231     -0.383186     -0.024417
      7.64296      5.41982     13.30767         0.095220      0.134239      0.104263
      7.06956      5.33411     14.58194         0.107870      0.237460     -0.072690
      6.20878      1.68810     14.77554         0.601081      0.435504     -0.445305
      8.73212      2.90740      9.79583         0.224330     -0.325035     -0.377577
      4.05434     11.49540     10.75446         0.116028      0.120907     -0.035075
      3.78301     12.36443      9.70509         0.185015      0.154423      0.096629
      3.83429     13.74734      9.87744         0.152723      0.064519     -0.013667
      4.39183     11.98049     12.01100         0.126637      0.208667     -0.044518
      4.44556     13.37178     12.19916         0.077792     -0.121182     -0.174111
      4.17994     14.28945     11.14313         0.107902      0.243456     -0.011889
      3.84306     10.10561     10.29749         0.150871      0.099610      0.186143
      3.40682     11.54952      8.51897         0.040819      0.305146     -0.264289
      4.27721     15.78939     11.35583         0.055189     -0.231392      0.040211
      4.08148     16.73038     10.30683        -0.067801      0.201556     -0.019328
      4.13060     18.11184     10.57932         0.059868     -0.144148      0.159872
      4.63624     16.29472     12.63269        -0.011601      0.165739     -0.311208
      4.76269     17.66486     12.87444         0.030853     -0.174060     -0.031581
      4.40945     18.55992     11.86815         0.100436     -0.266441     -0.349093
      4.33326     20.02310     11.87136         0.177741      1.220608      1.803082
      4.14057     19.34488      9.70374        -0.167681     -0.400470     -0.239617
      4.43506      0.63895     10.15057         0.002937      0.046267     -0.005413
      4.80711      0.96394      8.84673        -0.000837      0.216145     -0.053929
      5.19328      2.26154      8.48199         0.106185     -0.013731      0.123091
      4.38675      1.75570     11.01127        -0.121615      0.168248     -0.137962
      4.71557      3.09814     10.62533         0.148040     -0.014703      0.021526
      5.29293      3.40712      9.31371         0.049277     -0.001105     -0.010907
      5.92093      4.78926      8.73325        -0.107984     -0.107045      0.174000
      6.45386      5.10588      7.41816        -0.185887     -0.072769      0.086839
      6.70415      6.44648      6.98508         0.011320     -0.102106      0.201992
      5.87015      5.95321      9.51928         0.092406     -0.142927      0.016790
      6.16595      7.25114      9.13078         0.074581      0.222847      0.126289
      6.53210      7.56750      7.82641         0.139818     -0.268325      0.141828
      6.55252      4.05947      6.31729        -0.120200     -0.120694     -0.116919
      4.45888      4.05737     11.81382         0.093961     -0.579743      0.335536
      1.08988     14.31594      0.80767         0.074045     -0.054424      0.200740
      1.67978     14.73858      1.99941        -0.079201     -0.092604     -0.165165
      1.67182     16.12056      2.33111        -0.059818     -0.018322     -0.024625
      0.65246     15.20889     21.10142         0.043308      0.228372     -0.049618
      0.72331     16.56883      0.12476        -0.055752     -0.277725      0.372734
      1.13159     17.07054      1.38840        -0.015761     -0.035361      0.183320
      1.08089     12.84101      0.73517         0.048012      0.240151      0.200182
      2.30226     13.46691      2.59754         0.449990      0.003345      0.926520
      0.98367     18.57571      1.59505         0.190975     -0.262755      0.124719
      1.34882     19.26564      2.78700        -0.016693      0.036378     -0.124105
      1.17924     20.65988      2.84481         0.011739     -0.332322     -0.083009
      0.50173     19.36811      0.51287        -0.039434      0.257891      0.074308
      0.33621     20.75421      0.58896        -0.033230     -0.289274      0.015578
      0.65404      0.12271      1.78177        -0.074809     -0.309530     -0.229504
      0.64581      1.55750      2.09271        -0.124398      0.328650     -0.289304
      1.59657      0.38763      3.87669         0.222256     -0.238531      0.331082
      1.42561      2.95047      4.04481        -0.020335      0.004679      0.143080
      1.98231      2.95535      5.31541        -0.110099      0.046477     -0.269942
      2.11862      4.11341      6.05104         0.092958      0.146378      0.114567
      1.01279      4.21378      3.58343        -0.046304     -0.119351      0.057905
      1.17863      5.39028      4.35143         0.029342     -0.070943      0.229978
      1.80871      5.44037      5.63815         0.093555      0.184934      0.398483
      2.15242      6.71656      6.50296        -0.024009     -0.204921     -0.055485
      2.64512      6.66079      7.84889        -0.323917      0.087623     -0.538535
      3.13344      7.75073      8.58859        -0.049743     -0.062846     -0.273890
      2.10426      8.08113      6.07476         0.093388     -0.248539      0.277260
      2.57635      9.17709      6.80878        -0.154971      0.148762     -0.054353
      3.10159      9.05267      8.10656        -0.046101      0.292813     -0.367972
      2.87509      5.37516      8.54583         0.332765      0.001829     -0.313390
      0.53048      6.58624      3.73585        -0.017719      0.034394     -0.461143
      4.70285     14.09094      0.67874        -0.143445     -0.070873      0.069948
      4.04160     14.99557     -0.14218        -0.030677      0.220471     -0.013500
      4.02414     16.38335      0.19122         0.063842      0.027413      0.077886
      5.39919     14.53195      1.79879        -0.054796      0.365667      0.165189
      5.41615     15.90058      2.11467        -0.146416     -0.214323     -0.265316
      4.71433     16.88434      1.36068        -0.118233      0.006952     -0.269817
      4.53607     12.69525      0.16645        -0.025580      0.392511      0.138792
      3.44983     14.15691     19.97590         0.063843      0.064811      0.251350
      4.76533     18.36368      1.83415        -0.113290      0.069895     -0.185312
      4.10259     19.47315      1.19927         0.087218     -0.125715     -0.038600
      4.26045     20.79560      1.68400         0.092655     -0.276602     -0.047597
      5.55043     18.70361      2.97555        -0.156711      0.262460     -0.060284
      5.70796     20.02061      3.44767         0.028685     -0.475767      0.025958
      5.05750     21.05320      2.79286        -0.028954     -0.032612     -0.043749
      5.09664      1.25462      3.06518         0.464821      0.253600      0.510049
      3.75887      0.88077      1.20881        -0.103247     -0.147200     -0.325404
      3.96888      3.33358      2.07518        -0.040407     -0.156503      0.000203
      3.07927      3.91035      1.16179         0.021192      0.260937      0.240395
      2.75536      5.27766      1.16936         0.068022      0.301538     -0.106202
      4.42424      4.26230      3.02322         0.275260     -0.170387     -0.061236
      4.18420      5.65425      2.90960        -0.103196      0.063236      0.133967
      3.38339      6.32673      1.95607        -0.216243      0.017002     -0.602057
      3.15876      7.98773      1.87895        -0.023057     -0.207979     -0.309704
      2.20833      8.58517      0.98753        -0.187689      0.149174      0.087070
      1.88087      9.95675      0.90134        -0.135386      0.061201     -0.032434
      3.71948      9.03694      2.69676        -0.104191      0.479100     -0.511695
      3.32067     10.40979      2.71078        -0.245707     -0.641995     -0.280340
      2.37557     10.92921      1.79491         0.271761     -0.261935      0.566676
      1.44118      7.70987      0.04915         0.117947      0.276342     -0.499132
      4.84708      6.43479      3.97172         0.038245      0.083698     -0.083822
     18.18784     17.31410     13.50085        -0.045360      0.180703     -0.089005
     19.23881     17.80006     14.27194        -0.192853      0.148015      0.132286
     19.49747     19.17449     14.37797        -0.136794      0.088704      0.178467
     17.39068     18.19594     12.77186         0.081783      0.238749      0.067048
     17.62223     19.58032     12.90594        -0.044077     -0.234126      0.022728
     18.66202     20.12090     13.71869        -0.178084      0.087589      0.046641
     18.15130     15.82877     13.59258        -0.145288      0.186422      0.111081
     19.92404     16.61974     14.89498        -0.429245      0.317252     -0.232290
     18.78744      0.37076     13.93355        -0.163024     -0.168727      0.062178
     19.79718      0.96078     14.74815        -0.138786      0.035149      0.169418
     19.74889      2.32680     15.08344        -0.199904     -0.247487     -0.137714
     17.79471      1.25092     13.42034         0.022419      0.135749      0.188737
     17.79130      2.63111     13.70000        -0.033170     -0.203098     -0.082455
     18.77574      3.16043     14.53965        -0.058369     -0.264899      0.027302
     18.99112      4.54112     15.05648        -0.473029      0.084129     -0.253606
     20.54358      3.14486     16.07280        -0.507318     -0.362358     -0.487120
     20.64064      5.63573     16.65286         0.195732      0.400021     -0.060082
      0.69178      5.61022     17.14075        -0.052309     -0.262136     -0.142990
      1.35665      6.78471     17.48268         0.956392      0.048509      0.217838
     20.05466      6.91950     16.68850         0.519291     -0.174011      0.511885
     20.65639      8.03847     17.33257         0.371775     -0.100025     -0.157977
      0.80165      8.05143     17.73106        -0.465159      0.257322      0.255026
      1.68219      9.20383     18.38336        -0.103837      0.087292     -0.133604
      3.00959      9.11654     18.95930         0.072809     -0.269892      0.211640
      3.66421     10.21526     19.61288         0.256944      0.465410     -0.098459
      1.17066     10.51179     18.58139        -0.146111     -0.534204     -0.025094
      1.85860     11.61785     19.06828         0.248870      0.079062      0.354664
      3.13939     11.53982     19.62146        -0.335777     -0.219427     -0.086185
      4.00156      7.93711     18.86742        -0.563092     -0.871354     -0.061234
     19.67719      9.17962     17.51400         0.182750     -0.322188      0.053068
      2.03375     18.17053     14.10136        -0.048889      0.135071      0.221268
      1.27752     19.11407     13.41002         0.113875      0.098015      0.287253
      1.35499     20.46652     13.74612         0.206237      0.146177     -0.125747
      2.98574     18.56074     15.04978        -0.236510      0.173584      0.025836
      3.16149     19.93588     15.29195        -0.119616     -0.292125     -0.203359
      2.29795     20.91588     14.70898         0.060965      0.244677      0.117693
      1.70048     16.82746     13.59654         0.061456     -0.063498     -0.162415
      0.46040     18.40107     12.38322        -0.090013     -0.006878     -0.018142
      2.45578      1.13357     15.01041         0.092180     -0.313512      0.169380
      1.76771      2.13444     14.27703         0.143839      0.339813      0.093211
      2.06634      3.48965     14.48174        -0.034836     -0.249289      0.153701
      3.37646      1.56546     15.99807        -0.258191      0.237853     -0.148071
      3.69717      2.92766     16.16212        -0.176758     -0.114258      0.281367
      3.07415      3.87661     15.36526        -0.606627     -0.130954      0.088304
      3.19015      5.35182     15.33002         0.847938      0.881900      0.541859
      1.40177      4.73304     13.96374         2.643512     -0.563595      1.837805
      1.66013      7.24193     14.51931        -0.165155      0.092182      0.185048
      0.37288      7.54776     14.06324        -0.193397      0.002442     -0.064241
     21.07267      8.82564     14.14441        -0.065687     -0.009027     -0.063324
      2.32293      8.35058     15.10565        -0.113038      0.284635     -0.283942
      1.77908      9.66949     15.11737        -0.109347      0.291823     -0.120884
      0.44131      9.99437     14.62906        -0.222520     -0.152622      0.012016
     20.90168     11.34427     14.62376         0.087456      0.147207     -0.135419
     19.54661     11.65311     14.14248         0.209226     -0.254798      0.106003
     19.05196     12.96985     14.06469         0.037911     -0.023050      0.262587
      0.29586     12.53827     14.99270         0.030105     -0.025712     -0.034275
     -0.25122     13.81984     15.05241         0.230556      0.018942     -0.081523
     19.73468     14.09180     14.56555         0.066635     -0.013322      0.070452
     18.51289     10.68057     13.57796        -0.366944     -0.312338     -0.122498
      2.75338     10.70390     15.67771         0.340132     -0.293263      0.069798
     16.09412      0.41409      5.20837         0.008851      0.171323      0.006157
     16.89862      0.86999      6.24404        -0.058403      0.230000      0.087773
     16.98943      2.24568      6.53661        -0.075623     -0.108604      0.084638
     15.29249      1.29845      4.50582         0.199802      0.205100      0.085434
     15.34787      2.66459      4.81461         0.193238     -0.174256      0.091504
     16.21691      3.19344      5.79647         0.102626      0.053208      0.190847
     16.35784     20.23378      4.96499        -0.129254      0.245676     -0.145062
     17.58478     20.91624      6.81377         0.036195      0.382056     -0.188916
     16.27495      4.70069      6.01865        -0.020738     -0.147155      0.096588
     17.12846      5.31982      6.97262        -0.068727      0.027144      0.209879
     17.07558      6.70990      7.18811        -0.260214     -0.171502     -0.070487
     15.41191      5.56922      5.29463         0.091941      0.173819      0.151502
     15.40100      6.95921      5.48552        -0.004633     -0.233672     -0.040163
     16.25156      7.52740      6.42615        -0.092431     -0.223323     -0.004863
     16.42006      8.93799      6.85875        -0.309555      0.242435     -0.392259
     17.66508      7.57805      8.25439         0.293597     -0.578256      0.465688
     17.77797     10.11453      8.64334        -0.010459      0.158943      0.107938
     18.81247     10.01203      9.56336        -0.051000      0.074966     -0.095491
     19.41244     11.13056     10.12747         0.108918      0.133788      0.112125
     17.34610     11.43764      8.40267        -0.091202     -0.020933      0.107228
     17.84286     12.55128      9.12549         0.379946     -0.032931      0.075910
     18.96626     12.46441     10.04914         0.160171      0.036812      0.034095
     19.75089     13.58219     10.82059        -0.426947      0.336098     -0.065982
     21.00185     13.48252     11.55243        -0.019233     -0.532730     -0.196171
      0.40427     14.59520     12.09782        -0.099276      0.057465     -0.235715
     19.27679     14.92967     10.85943        -0.074909     -0.055316      0.098032
     19.98762     16.05166     11.32844        -0.175259      0.002056      0.010248
     21.22955     15.91190     11.95993        -0.363293      0.142358     -0.010503
      0.64620     12.25674     11.72467         0.008861     -0.152833     -0.182083
     17.11205     13.82455      8.78366        -0.120856      0.117176     -0.143451
     20.38645      1.30602      6.11252         0.079400      0.010264      0.139057
     19.82868      2.35487      5.38312        -0.013304      0.088449      0.130413
     19.85666      3.65728      5.83873        -0.188170      0.215303      0.039113
     20.89972      1.53671      7.38840        -0.075433      0.088094     -0.202383
     20.91930      2.85300      7.86418        -0.194050     -0.022490     -0.134987
     20.43017      3.94588      7.09679        -0.055277      0.400478      0.275433
     20.19987      0.05766      5.32548        -0.093591     -0.169611      0.219936
     19.11720      1.79241      4.20579        -0.310866      0.344658     -0.388501
     20.52140      5.37936      7.56101        -0.035828     -0.145819      0.183968
     20.13945      6.42367      6.70012        -0.157539      0.322289      0.074848
     20.41107      7.75748      7.03076        -0.018532     -0.162883      0.356192
     -0.21049      5.75197      8.82216        -0.271749      0.143191     -0.144915
      0.14641      7.07334      9.11944        -0.355681      0.000644     -0.116041
     21.10528      8.07357      8.19278        -0.377382     -0.469744     -0.022120
      0.08768      9.51936      8.20559         0.803682      0.802382      1.303825
     20.07774      9.04276      6.35174        -0.543032     -0.381054     -0.637134
     20.43869     11.49868      6.89227        -0.164183      0.364242     -0.143538
     19.56038     11.90780      5.88729        -0.102153      0.133127     -0.050756
     19.21889     13.24191      5.67424        -0.068997      0.094812     -0.111279
     20.97277     12.55625      7.65874         0.014375      0.093593     -0.287882
     20.69775     13.91682      7.36198        -0.015536     -0.023046     -0.151442
     19.74548     14.36422      6.36214        -0.064572      0.081483     -0.172088
     19.21915     15.81781      6.07172         0.020228     -0.042114     -0.132360
     18.34923     16.24971      4.99773         0.182792     -0.100176     -0.114744
     17.82812     17.56645      4.89614         0.182486     -0.126420     -0.021084
     19.49092     16.91659      6.93071         0.074141     -0.192893     -0.040070
     18.90812     18.17869      6.89868        -0.023313     -0.065703     -0.050105
     18.00667     18.53630      5.89594         0.072372      0.000722      0.078780
     17.78764     15.33204      3.92113         0.001177      0.276088     -0.254854
      0.28932     14.86939      8.15443         0.445855     -0.088215      0.036176
     12.54762      5.26201      4.07592         0.063019     -0.075989     -0.057362
     12.98036      3.73662     20.59468         0.226869     -0.016673     -0.091295
     12.94822      6.13170     21.08568        -0.044076     -0.092862      0.145070
     12.62091      7.46252      4.41105         0.175909      0.040080     -0.000527
     13.21130      7.92197      0.11331        -0.071780      0.007372      0.254335
     13.52598     10.32911      0.40518         0.023751     -0.105595      0.097724
     13.10861     13.54021      8.51805         0.252643      0.014509     -0.185203
     13.08790     11.71253      7.06909         0.103280     -0.192697      0.175359
     14.23550     14.21340      3.80193         0.107130     -0.049336     -0.077084
     12.95352     17.15785     11.43271         0.017136      0.023192     -0.021730
     14.77513     17.70412      6.95111         0.197934     -0.125333      0.100927
     14.74410     19.53957      8.37095         0.237126      0.144902      0.036497
     10.11166      6.87216      3.29547        -0.220906     -0.014257     -0.095125
      9.54323      3.47810      6.88812         0.222248      0.044185     -0.022980
      9.63323      5.85608      7.51407         0.227108     -0.036903     -0.338997
     10.32599      8.77099      3.81398        -0.137166      0.091976     -0.114115
      9.71412      7.71576      7.99122         0.128161      0.064676     -0.203972
      9.91888     10.08236      8.62594        -0.061176      0.006315     -0.008426
     12.26357     15.80062      2.51670        -0.149433     -0.016922     -0.023727
     11.52248     13.65091      3.01062        -0.094288     -0.168433     -0.253685
     10.54247     14.89887      6.95873        -0.192687      0.097517     -0.103886
     13.01733     20.23126      1.07547         0.184603      0.081567      0.153711
     11.62934     19.21055      5.63313         0.020993      0.020938     -0.139508
     11.95021      0.17287      5.03574         0.085989      0.212931      0.378637
      9.98267      9.23475     17.29757         0.232714     -0.099010     -0.049822
     10.21478      7.76419     12.54926         0.202608     -0.108599     -0.151358
     10.23450     10.13847     13.05239         0.059410     -0.095815      0.157272
     10.03847     11.38607     17.68736         0.246932      0.134231     -0.000739
     10.53079     12.01716     13.39442        -0.010084     -0.033172      0.283638
     10.76436     14.42494     13.76814         0.041218     -0.152142      0.115354
      9.52700     17.71671      0.43216         0.155704      0.090237     -0.358754
      9.98068     15.83153     20.40904        -0.159032     -0.315291      0.146010
     11.15157     18.30751     17.12898         0.354611     -0.034355      0.109176
      9.30469      0.05712      3.40758        -0.323604     -0.050413      0.120811
     11.17084      0.73761     20.30497        -0.092640     -0.133150     -0.113966
     10.42575      2.61473      0.22387         0.104505      0.113114     -0.149365
      7.48431     10.67066     16.00849        -0.403048     -0.062917     -0.037898
      7.04205      7.27203     19.63780         0.208387      0.038151     -0.111973
      7.08675      9.63932     20.23261         0.220386      0.003421     -0.340128
      7.64048     12.73197     16.56529        -0.195012      0.036687     -0.082753
      6.93247     11.45291     20.66485         0.225535      0.101948     -0.144765
      7.01089     13.75553      0.14601         0.182894      0.085595      0.011289
      9.38709     19.93434     15.96001        -0.082788     -0.101757     -0.070715
      8.69067     17.71397     16.22957         0.098234     -0.255553     -0.334331
      7.02676     18.79357     19.99033        -0.395264      0.091374     -0.206909
      9.74654      2.89042     14.28701         0.307406     -0.071380      0.357597
      8.37849      2.01409     18.88681        -0.183042     -0.068675      0.039295
      8.99801      4.20283     18.28164         0.029040      0.292933      0.488807
      6.81136     13.00761      8.76871        -0.013495     -0.011460      0.025000
      7.52346     11.37139      4.09097        -0.102155      0.008953     -0.066413
      7.75287     13.75638      4.58689        -0.152152     -0.007527      0.082708
      6.85422     15.17694      9.08163         0.083489      0.040084      0.004281
      7.99755     15.54417      4.89721        -0.286394      0.154567      0.216028
      8.02179     17.94810      5.09928        -0.219670      0.106777      0.058016
      6.30844      0.28519     12.83889         0.336238      0.042086      0.172069
      6.82924     19.60369     11.62336        -0.217921     -0.226773      0.309793
      8.22501      0.78198      8.44469         0.298180     -0.090742      0.137122
      6.42147      3.88969     15.97780        -0.191536     -0.083608      0.202664
      8.39556      4.53541     11.60893         0.090434     -0.071380     -0.099395
      7.89189      6.39371     12.89125         0.167354      0.001228     -0.013307
      3.57601     14.40618      9.04914         0.066701     -0.095532     -0.056202
      4.57515     11.29679     12.83899         0.065382      0.034808     -0.071210
      4.68495     13.72439     13.20886        -0.021699     -0.002773     -0.248495
      3.90049     16.37265      9.29478        -0.057028      0.130912     -0.117949
      4.76533     15.61463     13.47591         0.244390      0.076109     -0.149935
      5.14826     18.00615     13.83156        -0.084283      0.110958      0.045623
      5.44619      2.31878      7.43738         0.081732      0.051317      0.080482
      4.86031      0.18989      8.09822        -0.076200     -0.172822     -0.356077
      4.18390      1.58933     12.06413        -0.338267     -0.026017     -0.212396
      6.95442      6.63544      5.94214         0.209710     -0.231757      0.274910
      5.48142      5.91525     10.51243         0.088867     -0.066394      0.125347
      6.03772      8.03934      9.86310        -0.017826      0.055159      0.145770
      2.10439     16.47023      3.28182        -0.173009     -0.166267     -0.235086
      0.36812     14.87762     20.10627        -0.249982     -0.126677     -0.020125
      0.44959     17.25884     20.59194        -0.103205     -0.129451     -0.034352
      1.81800     18.74344      3.62691        -0.174979      0.052275     -0.024168
      0.27140     18.92495     20.80281        -0.035192      0.016121      0.168252
      0.01528      0.07759     20.98701        -0.099238      0.004510     -0.086795
      2.48674      3.83728      7.01803        -0.088792      0.288311     -0.393550
      2.29739      2.02548      5.75465         0.101937     -0.264772      0.270352
      0.55165      4.30456      2.60787        -0.125028     -0.095431      0.089139
      3.57877      7.57362      9.54732        -0.158861     -0.032316      0.402445
      1.69330      8.37734      5.12403         0.032678     -0.186393     -0.109577
      2.47575     10.17381      6.38150         0.014779     -0.069630     -0.117163
      3.42922     17.07623     20.84223         0.254948     -0.143489     -0.043223
      5.92593     13.82309      2.43618         0.019710     -0.067195      0.053862
      6.01465     16.18100      2.98173        -0.143006      0.047240     -0.011971
      3.45408     19.29736      0.33619         0.150637      0.079833     -0.017273
      6.12549     17.94224      3.50529        -0.199585      0.034840     -0.054150
      6.36955     20.22465      4.29048        -0.041821     -0.000692      0.086730
      1.89256      5.42184      0.53826         0.306249      0.214946     -0.009418
      2.50441      3.26696      0.51746        -0.157798     -0.074483     -0.413214
      4.94514      3.91163      3.90767         0.163244      0.035378     -0.282750
      1.23817     10.27999      0.07967        -0.128398     -0.241953      0.367852
      4.50574      8.88097      3.41385         0.186379     -0.200699     -0.138818
      3.75683     11.04808      3.47856         0.133790      0.036209     -0.116153
     20.34581     19.51440     14.97278        -0.103547     -0.062619      0.143659
     16.61954     17.81921     12.09113        -0.029299      0.090131      0.176536
     16.92894     20.23157     12.36086         0.278203     -0.017107      0.063286
     20.60699      0.34446     15.13048         0.015839     -0.043422      0.265612
     16.95915      0.85231     12.82745         0.288329      0.153669      0.123769
     16.99038      3.25203     13.29241         0.096214      0.086529      0.026297
      2.44628      6.68225     17.47902        -0.676555     -0.019354      0.358129
      1.24229      4.67173     17.15007         0.100861      0.046158     -0.018566
     19.13506      7.08410     16.17035        -0.734667     -0.005284      0.036846
      4.62028     10.03475     20.12903        -0.471759      0.033988     -0.375807
      0.14306     10.72341     18.35759        -0.194278      0.041108     -0.259556
      1.35091     12.56750     19.05149        -0.254697      0.268841     -0.044264
      0.74610     21.19606     13.20921        -0.047709     -0.129984     -0.028357
      3.61436     17.80892     15.55099        -0.193378      0.254851     -0.130182
      4.07845     20.20558     15.83819        -0.566417      0.157879      0.129040
      1.00639      1.85050     13.55977        -0.124720      0.096178     -0.223295
      3.99511      0.82593     16.52867        -0.526529      0.306570      0.081481
      4.48300      3.22113     16.85513        -0.242881      0.079190      0.171640
     20.04453      8.86077     13.80492         0.122392      0.034996      0.077634
     20.98806      6.74800     13.71975        -0.077776     -0.024653     -0.259386
      3.24752      8.20461     15.65507         0.174312     -0.037783     -0.350687
     18.12678     13.11638     13.52859        -0.244174      0.094198      0.213733
      1.36177     12.54668     15.15734        -0.220795     -0.059346      0.074210
      0.40879     14.62729     15.33542         0.101700      0.120798      0.205418
     17.69974      2.58298      7.29204        -0.120148     -0.049471      0.153345
     14.65066      0.92726      3.71872         0.076615     -0.032925     -0.108295
     14.69390      3.33504      4.25907         0.234152     -0.052362      0.019255
     17.84395      4.72569      7.54258        -0.173958     -0.000853      0.154263
     14.70202      5.17025      4.56592         0.187935      0.013793      0.109201
     14.69255      7.57711      4.94247         0.111057      0.037920     -0.106035
     20.33183     10.88071     10.62396        -0.150125      0.142749      0.216029
     19.20391      9.03489      9.78781         0.232916     -0.271026      0.216066
     16.62632     11.63060      7.61151        -0.101088     -0.103630      0.224871
      1.30606     14.44393     12.65984         0.253604     -0.136796      0.003245
     18.28620     15.18798     10.48539         0.254438     -0.256347      0.027700
     19.57068     17.04476     11.15317        -0.053089     -0.131884      0.072245
     19.37190      4.42708      5.23572         0.092275     -0.055311     -0.003452
     21.23328      0.70639      8.00721         0.158046     -0.029449      0.041610
      0.08638      3.01595      8.85108        -0.095069      0.074972      0.067887
     19.69108      6.19863      5.74101        -0.225142      0.039155      0.178462
      0.01404      4.98031      9.55038        -0.213995      0.096114      0.181093
      0.65401      7.30334     10.04778         0.013369      0.102541      0.294030
     18.45832     13.33730      4.91206         0.137462      0.150820      0.177711
     19.07207     11.14940      5.29320        -0.100312     -0.004650     -0.260617
      0.34040     12.34115      8.51809         0.165316     -0.005851     -0.265174
     17.15287     17.77745      4.07165         0.201115      0.034596      0.033836
     20.17584     16.81566      7.74569         0.082379     -0.069290      0.018957
     19.17376     18.89414      7.66476         0.079256      0.046218      0.191928
     13.95354     19.31632     10.77355        -0.069764      0.022459     -0.001584
     18.88993     21.00295      3.65552         0.357459      0.211310     -0.020609
     12.73135      1.20079      2.67183        -0.087059     -0.296377     -0.147509
     13.63635     11.58565      4.44986         0.086690      0.735951     -0.124756
      9.57682      2.63707      2.80938         0.021877     -0.182781      0.122181
     10.50243     12.71185      5.33648         0.097879      0.278052      0.289671
      9.89960      5.15964     15.89558        -0.039293     -0.629139      0.151613
     10.68718     15.64636     17.81944         0.058736      0.325827     -0.253555
      6.91223      6.44795     15.49400         0.198379     -0.157800     -0.093186
      7.40132     16.61734     18.30431         0.052514      0.489000      0.037041
      6.67097      8.95012      7.43221        -0.024841     -0.254410     -0.016684
      7.55911     19.39521      9.07564         0.025993      0.383089      0.007095
      3.49525     10.17179      8.90322        -0.012728     -0.289850     -0.044088
      4.20414     20.50869     10.55341         0.084022      0.227068      0.032494
      1.98981     12.33435      1.71918        -0.409141      0.181733     -0.101230
      1.23418      1.70066      3.37810        -0.010100      0.295924     -0.061759
      3.71381     12.73287     20.27290         0.047688      0.043933      0.057081
      4.22920      1.89397      2.13022         0.147011      0.376700     -0.003182
     19.26132     15.44242     14.42705        -0.341302     -0.310473     -0.258175
     20.05371      4.48364     16.00436        -0.026056      0.476264      0.074896
      0.71007     16.99692     12.55076         0.041638     -0.245533      0.346111
      2.11544      5.86132     14.52888         0.183964      0.471099      0.239123
     17.33873     19.81692      5.90554         0.125584     -0.176589     -0.026612
     17.31034      8.93726      7.96087        -0.085408      0.281332      0.074778
     19.39680      0.42731      4.22703        -0.044345     -0.277951     -0.110496
     20.67103     10.10110      7.09554         0.188533      0.153306      0.406239
     12.36624      2.29100      4.74503        -0.225660     -0.150671      0.702113
     13.40172      1.00841      0.40822         0.171250     -0.204832     -0.086339
     13.25306      9.87414      6.03946        -0.142022     -0.025238      0.216713
     13.78617     12.60504      2.29625         0.050249     -0.311310      0.466053
      9.77098      4.50201      1.35530        -0.052592      0.031280     -0.510607
      9.31290      1.48285      4.88608         0.088134      0.457808     -0.507111
     10.49715     11.65983      3.22037         0.058677      0.304812     -1.517679
     10.20913     12.89258      7.68692        -0.022908      0.165446      0.008399
      9.78090      6.30680     17.97961        -0.121990     -0.373691      1.291524
     10.60824      4.93243     13.66894         1.269596     -2.804218     -3.463341
     10.37218     13.89926     19.40165         0.100167      0.074031      0.183722
     10.94038     16.65503     15.68513         0.031258     -0.171445      0.221636
      7.08703      8.33601     14.07798        -0.048680      0.192816     -0.882563
      6.58527      5.28772     17.54740        -0.022414     -0.226933     -0.078870
      7.71079     15.70642     16.14340         0.085263      0.323991     -1.230165
      7.08647     16.64310     20.63714        -0.081041      0.504908      0.548244
      6.56802     10.11486      9.50179         0.100765     -0.222446      0.225396
      7.10662      8.67014      5.14001        -0.082193     -0.021798      0.122158
      7.12725     17.70078     10.67362         0.223480      0.218876     -0.110293
      7.97236     20.32261      6.94111        -0.212801      0.070086      0.237925
      3.09354     11.97394      7.41591         0.030930     -0.146991     -0.052066
      3.94392      9.10136     10.98201        -0.095186     -0.261596     -0.074170
      4.17717     19.35778      8.49011        -0.103068      0.089613     -0.527572
      4.36497     20.73405     12.89396        -0.031447     -0.824954     -1.346142
      2.97391     13.38134      3.61856        -0.355737     -0.034132     -0.538046
      0.36153     12.20383     21.25015        -0.292574     -0.472663     -0.232232
      2.16800      0.13230      4.92605         0.011582      0.213730     -0.153125
      0.23909      2.46555      1.37978        -0.032131     -0.051013      0.162323
      2.88731     14.56205     18.98179        -0.168189     -0.033095     -0.311096
      5.03818     11.70085      0.66220         0.107595     -0.542870      0.135329
      3.08662      1.10239      0.21776        -0.071089      0.090644     -0.167401
      5.77724      1.81492      3.91772        -0.254915     -0.154767     -0.345294
     -0.39226     16.66078     15.65972         0.502925     -0.093173      0.507232
     17.33217     15.08785     13.07448         0.021539     -0.047050      0.201630
      0.14080      2.72930     16.81978         0.534826     -0.118628      0.680021
     18.37232      5.54032     14.72245         0.080480      0.114637      0.104616
     20.98450     18.89651     11.54432        -0.034079     -0.047484     -0.163804
      2.20254     15.77162     13.95773        -0.242837      0.019086      0.048784
      0.44421      4.77157     13.27381        -2.764116      0.325917     -2.149479
      4.04965      6.04544     15.89686        -1.029054     -0.654514     -0.744096
     18.22097     20.86534      7.84707         0.253564     -0.157770      0.380314
     15.86639     19.55242      4.08185        -0.047287     -0.279459     -0.250638
     18.26282      7.17995      9.24443        -0.146914      0.201536      0.026366
     15.90083      9.92869      6.36576         0.315255      0.006737     -0.014127
     18.38478      2.35882      3.40225         0.186284     -0.056147      0.063441
     20.62370     20.18918      5.52675        -0.013467     -0.067680      0.062441
     19.37175      9.16685      5.35748         0.017423      0.032019      0.137665
      0.75658     10.13242      9.04998        -0.946528     -0.545263     -0.997213
     13.87014     17.53761      5.29196         0.152676     -0.156378     -0.027213
     15.79046     16.57452      5.58732         0.227156      0.152208      0.097048
     14.66009     16.28479      3.71825         0.042110      0.042543      0.295227
     11.98416     15.36485     11.41484        -0.038038     -0.214751     -0.052640
     11.41741     14.59450      9.46899         0.185289     -0.013408     -0.035099
     13.29629     13.92120     10.44437        -0.151816      0.053755      0.050528
     11.90430     18.06141      7.25419        -0.097030     -0.096264     -0.062252
      9.94166     18.41619      6.41141         0.233854      0.182918     -0.001685
     10.25006     16.77377      7.83123         0.170366      0.284680     -0.287255
     13.11896     18.45892      0.07747        -0.068804     -0.095428      0.276526
     14.03649     17.00071      1.38996        -0.453485      0.271594      0.213072
     11.89034     16.85467      0.90714         0.587407      0.210845      0.139152
     10.45906      0.32553     18.56337         0.499683     -0.137096     -0.315824
     12.54610     -0.26407     18.89774        -0.038078     -0.154230      0.006622
     11.52754     20.46056     17.03578         0.207165     -0.069771      0.249145
      8.90165     19.35304      3.59464        -0.247931     -0.140584     -0.041125
      7.91356     18.70079      1.74730        -0.288341     -0.063450     -0.315815
      9.86789     17.93865      2.29287        -0.289406      0.388778     -0.146259
      7.93770      0.74663     20.36896        -0.324148      0.147960      0.095991
      6.10757      1.06575     19.17077         0.105089      0.020720     -0.005642
      6.20007     20.72660     20.66456         0.173698      0.153643     -0.308910
      9.54020      1.05435     13.29036        -0.165628      0.474399     -0.426988
     10.77906     21.20245     14.61776         0.134804     -0.235040      0.411370
      8.75590     20.51165     14.17291         0.096768      0.533137      0.128733
      7.99278      4.05194      9.81319         0.340895      0.101799     -0.127400
      9.91785      3.19270     10.41391         0.118549      0.047094      0.118921
      9.02707      2.71087      8.47312         0.334671     -0.066186      0.430852
      6.03564      1.90206     16.09965        -0.063116     -0.154489      0.572784
      5.01534      1.53060     14.16399         0.028975     -0.448983      0.250018
      6.76351      0.44188     14.76193         0.227482      0.003338     -0.212659
      5.44229      4.96236     12.00654        -0.159538      0.359471      0.109158
      3.28688      4.77143     11.85785        -0.103376     -0.377482     -0.080274
      4.41919      3.35890     12.98695        -0.112541      0.307933     -0.388715
      7.15234      4.49396      5.16705        -0.143382     -0.082147      0.320500
      7.22605      2.92195      6.65197         0.103273      0.105614      0.146559
      5.29030      3.62952      5.95816         0.173739     -0.390290      0.173563
     -0.38049      7.22623      4.49668        -0.110236      0.242841      0.043052
      1.43026      7.57567      3.41949        -0.533809     -0.297816     -0.217315
     -0.15553      6.25005      2.62423        -0.357990     -0.033979      0.120530
      3.31495      5.55029      9.79405         0.112192      0.213865      0.023614
      1.87998      4.45002      8.70951        -0.074709     -0.101042      0.022717
      3.82976      4.74056      7.79917        -0.018720      0.013239      0.320026
      5.98430      7.00462      3.46952         0.158353      0.274411      0.034052
      4.07592      7.39919      4.54792         0.052945      0.104016      0.044183
      5.17475      5.67834      5.01439        -0.117234      0.144803      0.237519
      0.66422      8.34509     20.39095        -0.260029      0.276312      0.560144
      2.34584      6.96079     -0.64835        -0.478532      0.116787     -0.434518
      0.58114      6.85832      0.63174        -0.363561     -0.136903      0.015755
     19.49166      9.42807     18.84703        -0.110791      0.159251      0.114504
     20.07844     10.34897     16.93479        -0.145979      0.266258      0.113974
     18.45609      8.92786     16.97898        -0.232911     -0.049334      0.259915
      4.85203      7.94201     19.92236         0.091887      0.278560      0.311349
      3.67877      6.57215     18.81028         0.160095      0.967326     -0.064609
      4.66643      8.13509     17.69506        -0.069782      0.093555     -0.033927
      3.35402     11.45874     14.69222        -0.231539      0.038264     -0.125971
      2.20616     11.59465     16.54825         0.341297      0.031500     -0.261431
      3.80436     10.15375     16.36189        -0.080924     -0.013090     -0.297951
     17.39719     11.30493     13.07777         0.125522     -0.106924      0.099349
     18.97735      9.93317     12.51584        -0.170050     -0.049847      0.374378
     18.02275      9.78924     14.50716         0.382860      0.198330     -0.196108
     16.34232     14.25629      9.83837         0.046374      0.031665     -0.076723
     17.92788     14.87223      8.43497        -0.218393     -0.085888      0.129793
     16.26854     13.67456      7.71927         0.128136      0.116656      0.198077
      1.63743     12.47639     12.62655         0.230018     -0.042237      0.098190
      0.10810     11.05753     12.12934         0.054804      0.358418     -0.330914
      1.27689     11.97905     10.55162        -0.141255      0.203463     -0.090658
      1.05341     15.67164      7.34349        -0.050384      0.035644     -0.051863
     20.83348     15.69597      8.97025         0.416437      0.068498     -0.045523
      1.17405     14.25324      9.00457        -0.086567      0.089306     -0.381577
     17.07791     15.99343      2.96259         0.319206     -0.018783     -0.072250
     18.75117     14.64376      3.23178         0.065622     -0.083644      0.042856
     16.89627     14.40674      4.44085         0.269140      0.053685     -0.246120
 -----------------------------------------------------------------------------------
    total drift:                                0.007532      0.000376      0.001041


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4557.7239628471 eV

  energy  without entropy=    -4557.8727778863  energy(sigma->0) =    -4557.77356786
 
 d Force = 0.1738023E+01[ 0.298E-01, 0.345E+01]  d Energy = 0.1766096E+01-0.281E-01
 d Force = 0.1311259E+04[ 0.130E+04, 0.132E+04]  d Ewald  = 0.1311315E+04-0.559E-01


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -1.766096  1 .order   -1.738023   -3.446228   -0.029818
  (g-gl).g = 0.971E+01      g.g   = 0.968E+01  gl.gl    = 0.122E+02
 g(Force)  = 0.968E+01   g(Stress)= 0.000E+00 ortho     = 0.522E-02
 gamma     =   0.79839
 trial     =   0.35600
 opt step  =   0.35896  (harmonic =   0.35911) maximal distance =0.04910748
 next E    = -4557.724087   (d E  =  -1.76622)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   35(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3200
 total energy-change (2. order) : 0.3398859E-04  (-0.7620518E-02)
 number of electron    2498.0000011 magnetization 
 augmentation part      162.8636459 magnetization 

  free energy =  -0.455772392087E+04  energy without entropy=  -0.455787271489E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   35(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) :-0.1626742E-03  (-0.2067312E-03)
 number of electron    2498.0000011 magnetization 
 augmentation part      162.8636493 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8552
  0.8552

  free energy =  -0.455772408355E+04  energy without entropy=  -0.455787288147E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   35(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3104
 total energy-change (2. order) : 0.2063025E-05  (-0.4187737E-05)
 number of electron    2498.0000011 magnetization 
 augmentation part      162.8636493 magnetization 

  free energy =  -0.455772408148E+04  energy without entropy=  -0.455787288227E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.9787       2 -56.1429       3 -56.0670       4 -55.7768       5 -55.8131
       6 -56.3093       7 -58.0929       8 -58.3153       9 -56.2964      10 -55.9870
      11 -56.0116      12 -55.8091      13 -55.7599      14 -55.9233      15 -58.0540
      16 -58.0682      17 -56.3055      18 -54.8975      19 -54.8350      20 -55.1420
      21 -55.6248      22 -55.6587      23 -55.7283      24 -55.6524      25 -55.0151
      26 -54.7888      27 -54.9316      28 -54.9699      29 -60.4153      30 -60.3695
      31 -55.5993      32 -55.8105      33 -55.7186      34 -55.2432      35 -55.5155
      36 -55.9776      37 -57.8049      38 -58.1013      39 -56.0659      40 -55.7663
      41 -55.8917      42 -55.7198      43 -55.7354      44 -55.8557      45 -58.0755
      46 -58.2132      47 -56.4708      48 -55.1289      49 -54.9703      50 -55.2986
      51 -55.9052      52 -55.8566      53 -55.8040      54 -55.8007      55 -55.1622
      56 -54.8661      57 -54.9777      58 -56.3688      59 -60.3992      60 -60.6204
      61 -55.8291      62 -55.9196      63 -55.8471      64 -55.6553      65 -55.6901
      66 -56.1611      67 -58.0817      68 -58.1226      69 -56.2264      70 -55.9129
      71 -56.0277      72 -55.7294      73 -55.6623      74 -55.8831      75 -58.0714
      76 -58.2189      77 -56.5037      78 -55.0702      79 -55.0208      80 -55.3474
      81 -55.8377      82 -55.8886      83 -55.9420      84 -55.9562      85 -55.1448
      86 -55.0742      87 -55.1529      88 -56.4687      89 -60.7397      90 -60.4481
      91 -55.6070      92 -55.7200      93 -55.6408      94 -55.3966      95 -55.5061
      96 -55.9706      97 -57.8147      98 -57.9776      99 -56.0681     100 -55.8355
     101 -55.9378     102 -55.5660     103 -55.6141     104 -55.8405     105 -58.0891
     106 -58.2476     107 -56.5032     108 -55.1118     109 -54.9722     110 -55.3865
     111 -55.8818     112 -55.8010     113 -55.7982     114 -55.8979     115 -55.2411
     116 -54.9395     117 -55.0111     118 -56.3968     119 -60.4937     120 -60.5600
     121 -55.8561     122 -55.9390     123 -55.8239     124 -55.7214     125 -55.7425
     126 -56.1279     127 -58.0060     128 -58.2079     129 -56.0341     130 -55.7120
     131 -55.8054     132 -55.5909     133 -55.5248     134 -55.7267     135 -57.8824
     136 -58.0092     137 -56.4165     138 -55.0233     139 -54.9540     140 -55.2421
     141 -55.7826     142 -55.9117     143 -55.9169     144 -55.8587     145 -55.1263
     146 -55.0750     147 -55.1361     148 -56.4107     149 -60.6234     150 -60.5789
     151 -55.4954     152 -55.5861     153 -55.4660     154 -55.2904     155 -55.3966
     156 -55.8259     157 -57.8130     158 -57.8532     159 -55.8958     160 -55.6588
     161 -55.8564     162 -55.4750     163 -55.5532     164 -55.7561     165 -57.9672
     166 -58.1492     167 -56.5281     168 -55.1294     169 -54.9747     170 -55.3529
     171 -55.9978     172 -56.0130     173 -55.9275     174 -55.7963     175 -55.3017
     176 -54.7823     177 -54.9898     178 -56.3933     179 -60.4552     180 -60.6255
     181 -55.8977     182 -56.1182     183 -55.9788     184 -55.6736     185 -55.6854
     186 -56.2138     187 -58.0108     188 -58.2275     189 -56.2014     190 -55.8474
     191 -55.9639     192 -55.7362     193 -55.6682     194 -55.8585     195 -58.0108
     196 -58.1994     197 -56.4685     198 -54.9690     199 -54.9439     200 -55.3123
     201 -55.8468     202 -55.9627     203 -55.9166     204 -55.8633     205 -55.1989
     206 -55.1661     207 -55.0947     208 -56.4293     209 -60.7825     210 -60.5263
     211 -55.9268     212 -56.1058     213 -55.9594     214 -55.7161     215 -55.7148
     216 -56.2292     217 -58.0872     218 -58.3436     219 -56.1265     220 -55.8069
     221 -55.8766     222 -55.6029     223 -55.4665     224 -55.7483     225 -57.8902
     226 -58.1069     227 -56.4152     228 -54.9497     229 -54.9774     230 -55.1149
     231 -55.6371     232 -55.9462     233 -56.0107     234 -55.6387     235 -55.1871
     236 -55.0826     237 -55.1604     238 -56.4787     239 -60.3249     240 -60.3320
     241 -55.8894     242 -55.9543     243 -55.8433     244 -55.7143     245 -55.7539
     246 -56.1817     247 -58.0394     248 -58.1570     249 -56.1734     250 -55.8366
     251 -55.9465     252 -55.7282     253 -55.7167     254 -55.8734     255 -57.9900
     256 -58.0962     257 -56.3947     258 -55.0661     259 -54.8871     260 -55.1785
     261 -55.7516     262 -55.8367     263 -55.9246     264 -55.9665     265 -55.4721
     266 -54.9540     267 -55.1242     268 -56.4943     269 -60.5664     270 -60.3804
     271 -55.8577     272 -55.9427     273 -55.7655     274 -55.7301     275 -55.7093
     276 -56.0623     277 -58.1303     278 -58.1591     279 -55.8249     280 -55.5877
     281 -55.6714     282 -55.4273     283 -55.3573     284 -55.6461     285 -57.9273
     286 -58.1054     287 -56.4918     288 -55.0498     289 -54.9635     290 -55.3631
     291 -55.8620     292 -55.8433     293 -55.8459     294 -55.8009     295 -55.1285
     296 -54.8866     297 -54.9608     298 -56.3612     299 -60.3805     300 -60.5423
     301 -55.8040     302 -55.9458     303 -55.8290     304 -55.5547     305 -55.6030
     306 -56.0802     307 -58.0309     308 -58.2248     309 -56.1195     310 -55.7894
     311 -55.9171     312 -55.6586     313 -55.6056     314 -55.8164     315 -57.9435
     316 -58.0887     317 -56.4222     318 -54.9769     319 -54.8885     320 -55.2268
     321 -55.7904     322 -55.8380     323 -55.9194     324 -55.9090     325 -55.1550
     326 -55.1243     327 -55.1843     328 -56.4555     329 -60.5633     330 -60.3766
     331 -55.7812     332 -55.7987     333 -55.6729     334 -55.6207     335 -55.6070
     336 -56.0289     337 -57.9513     338 -57.9115     339 -55.8564     340 -55.5446
     341 -55.7062     342 -55.4824     343 -55.4987     344 -55.6847     345 -57.9125
     346 -57.9805     347 -56.3900     348 -54.8829     349 -54.8940     350 -55.2602
     351 -55.7451     352 -55.8267     353 -55.7699     354 -55.6803     355 -55.1580
     356 -54.7710     357 -54.9064     358 -56.3389     359 -60.3853     360 -60.4735
     361 -39.0914     362 -38.7850     363 -38.9368     364 -39.0619     365 -38.9163
     366 -38.6752     367 -38.0587     368 -38.0695     369 -38.1643     370 -38.1483
     371 -38.1910     372 -38.2618     373 -38.8173     374 -38.3226     375 -38.6325
     376 -38.8877     377 -38.8345     378 -38.7755     379 -38.1669     380 -38.2140
     381 -38.2172     382 -38.1019     383 -38.2379     384 -38.1148     385 -38.7725
     386 -38.7253     387 -38.7981     388 -38.8418     389 -38.7705     390 -38.4969
     391 -38.2099     392 -38.2421     393 -38.2612     394 -38.1499     395 -38.2628
     396 -38.3336     397 -38.6893     398 -38.3105     399 -38.6328     400 -38.8609
     401 -38.6410     402 -38.7655     403 -38.2911     404 -38.2660     405 -38.3135
     406 -38.1031     407 -38.1656     408 -38.1142     409 -38.7763     410 -38.7700
     411 -38.9610     412 -38.6690     413 -38.7938     414 -38.5337     415 -38.1532
     416 -38.2554     417 -38.0949     418 -38.2643     419 -38.2886     420 -38.2541
     421 -38.5259     422 -38.2397     423 -38.4864     424 -38.6852     425 -38.5726
     426 -38.6581     427 -38.1802     428 -38.1869     429 -38.3048     430 -38.1858
     431 -38.2324     432 -38.0530     433 -38.7635     434 -38.7068     435 -39.0129
     436 -38.7367     437 -38.9839     438 -38.6556     439 -38.4175     440 -38.1749
     441 -38.2238     442 -38.3614     443 -38.3413     444 -38.0705     445 -38.8193
     446 -38.8062     447 -38.8740     448 -38.7274     449 -38.7264     450 -38.3613
     451 -38.0296     452 -38.0111     453 -38.0552     454 -38.0630     455 -38.1342
     456 -38.1294     457 -38.8742     458 -38.6399     459 -38.8233     460 -38.9091
     461 -38.8073     462 -38.6481     463 -37.9960     464 -38.1883     465 -38.2567
     466 -38.3291     467 -38.1914     468 -38.2989     469 -38.9007     470 -38.7157
     471 -38.6995     472 -38.8137     473 -38.4760     474 -38.3151     475 -38.1417
     476 -38.1072     477 -38.2709     478 -38.1175     479 -38.1581     480 -38.0331
     481 -38.8206     482 -38.7455     483 -38.8336     484 -38.8101     485 -38.8491
     486 -38.7113     487 -38.1633     488 -38.2249     489 -38.0915     490 -38.3121
     491 -38.1323     492 -38.2569     493 -38.8166     494 -38.5950     495 -38.7508
     496 -38.7131     497 -38.5931     498 -38.5605     499 -38.0910     500 -37.9353
     501 -38.1828     502 -38.0771     503 -38.1073     504 -37.9792     505 -38.3103
     506 -41.0950     507 -71.7145     508 -71.6330     509 -71.5345     510 -71.6484
     511 -71.3895     512 -71.6798     513 -71.3916     514 -71.6737     515 -71.7111
     516 -71.5806     517 -71.4227     518 -71.6493     519 -71.6283     520 -71.7206
     521 -71.6426     522 -71.5580     523 -71.6021     524 -71.6030     525 -71.6359
     526 -71.4615     527 -71.6559     528 -71.6306     529 -71.2301     530 -71.6249
     531 -76.9938     532 -76.7532     533 -76.7083     534 -76.7102     535 -76.7803
     536 -76.4642     537 -76.9662     538 -76.7713     539 -76.8183     540 -77.0046
     541 -76.8462     542 -76.7366     543 -76.6897     544 -76.5183     545 -76.9720
     546 -76.8047     547 -76.8556     548 -76.6683     549 -76.6182     550 -76.5020
     551 -76.5096     552 -76.5215     553 -76.7769     554 -76.5470     555 -76.7393
     556 -76.7630     557 -76.8486     558 -76.6833     559 -76.9806     560 -76.7841
     561 -76.7219     562 -76.5014     563 -76.8345     564 -76.7031     565 -76.7587
     566 -76.6230     567 -76.8055     568 -76.8733     569 -76.9864     570 -76.5334
     571 -76.8983     572 -76.7032     573 -76.6831     574 -76.5894     575 -76.5104
     576 -76.5911     577 -76.5842     578 -76.4692     579 -82.4147     580 -82.4454
     581 -82.3552     582 -82.2990     583 -82.3462     584 -82.2881     585 -82.5209
     586 -82.6111     587 -82.4648     588 -82.2516     589 -82.1105     590 -82.2472
     591 -82.4491     592 -82.2860     593 -82.4037     594 -82.6731     595 -82.7274
     596 -82.5905     597 -82.5552     598 -82.4795     599 -82.4550     600 -82.4557
     601 -82.0292     602 -82.2733     603 -82.7307     604 -82.5071     605 -82.5925
     606 -82.6947     607 -82.5631     608 -82.5472     609 -82.7278     610 -82.4358
     611 -82.4128     612 -82.3819     613 -82.3624     614 -82.2071     615 -82.6417
     616 -82.5155     617 -82.4514     618 -82.9685     619 -82.9362     620 -82.6960
     621 -82.2420     622 -82.4030     623 -82.5533     624 -82.3208     625 -82.2934
     626 -82.4243     627 -82.2459     628 -82.4010     629 -82.3270     630 -82.6227
     631 -81.9979     632 -82.5040     633 -82.4309     634 -82.5523     635 -82.3993
     636 -82.2299     637 -82.2628     638 -82.1674     639 -82.2313     640 -82.3149
     641 -82.3060     642 -82.5110     643 -82.4628     644 -82.4089     645 -82.3521
     646 -82.5576     647 -82.4178     648 -82.2564     649 -82.3261     650 -82.2765
 
 
 
 E-fermi :  -1.4469     XC(G=0):  -6.4377     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.4683      2.00000
      2     -29.1882      2.00000
      3     -29.1021      2.00000
      4     -29.0458      2.00000
      5     -29.0371      2.00000
      6     -29.0300      2.00000
      7     -28.9763      2.00000
      8     -28.9281      2.00000
      9     -28.9126      2.00000
     10     -28.8853      2.00000
     11     -28.8595      2.00000
     12     -28.8308      2.00000
     13     -28.7827      2.00000
     14     -28.7622      2.00000
     15     -28.7456      2.00000
     16     -28.7106      2.00000
     17     -28.6867      2.00000
     18     -28.6850      2.00000
     19     -28.6625      2.00000
     20     -28.5668      2.00000
     21     -28.5616      2.00000
     22     -28.5491      2.00000
     23     -28.4708      2.00000
     24     -28.4350      2.00000
     25     -27.1895      2.00000
     26     -26.9537      2.00000
     27     -26.9354      2.00000
     28     -26.8012      2.00000
     29     -26.7995      2.00000
     30     -26.7505      2.00000
     31     -26.7491      2.00000
     32     -26.7396      2.00000
     33     -26.6806      2.00000
     34     -26.6422      2.00000
     35     -26.6359      2.00000
     36     -26.6241      2.00000
     37     -26.6085      2.00000
     38     -26.6067      2.00000
     39     -26.5983      2.00000
     40     -26.5936      2.00000
     41     -26.5805      2.00000
     42     -26.5765      2.00000
     43     -26.5572      2.00000
     44     -26.5324      2.00000
     45     -26.5177      2.00000
     46     -26.5080      2.00000
     47     -26.4941      2.00000
     48     -26.4814      2.00000
     49     -26.4762      2.00000
     50     -26.4452      2.00000
     51     -26.4262      2.00000
     52     -26.4214      2.00000
     53     -26.4179      2.00000
     54     -26.4088      2.00000
     55     -26.3970      2.00000
     56     -26.3954      2.00000
     57     -26.3827      2.00000
     58     -26.3698      2.00000
     59     -26.3639      2.00000
     60     -26.3476      2.00000
     61     -26.3352      2.00000
     62     -26.3305      2.00000
     63     -26.2915      2.00000
     64     -26.2772      2.00000
     65     -26.2587      2.00000
     66     -26.2533      2.00000
     67     -26.2365      2.00000
     68     -26.2363      2.00000
     69     -26.1687      2.00000
     70     -26.1074      2.00000
     71     -26.0820      2.00000
     72     -25.9805      2.00000
     73     -23.6610      2.00000
     74     -23.5305      2.00000
     75     -23.4028      2.00000
     76     -23.3956      2.00000
     77     -23.3801      2.00000
     78     -23.2634      2.00000
     79     -23.2494      2.00000
     80     -23.2386      2.00000
     81     -23.2283      2.00000
     82     -23.1927      2.00000
     83     -23.1711      2.00000
     84     -23.1539      2.00000
     85     -23.1487      2.00000
     86     -23.1301      2.00000
     87     -23.1222      2.00000
     88     -23.1136      2.00000
     89     -23.0703      2.00000
     90     -23.0681      2.00000
     91     -23.0584      2.00000
     92     -23.0200      2.00000
     93     -23.0069      2.00000
     94     -22.9890      2.00000
     95     -22.9720      2.00000
     96     -22.9672      2.00000
     97     -22.9484      2.00000
     98     -22.9021      2.00000
     99     -22.8723      2.00000
    100     -22.8691      2.00000
    101     -22.8663      2.00000
    102     -22.7803      2.00000
    103     -22.7688      2.00000
    104     -22.7277      2.00000
    105     -22.7177      2.00000
    106     -22.7038      2.00000
    107     -22.6890      2.00000
    108     -22.6632      2.00000
    109     -22.6547      2.00000
    110     -22.6333      2.00000
    111     -22.5798      2.00000
    112     -22.5580      2.00000
    113     -22.5203      2.00000
    114     -22.5125      2.00000
    115     -22.4971      2.00000
    116     -22.4778      2.00000
    117     -22.4741      2.00000
    118     -22.4659      2.00000
    119     -22.4516      2.00000
    120     -22.4021      2.00000
    121     -20.5405      2.00000
    122     -20.5337      2.00000
    123     -20.5285      2.00000
    124     -20.5254      2.00000
    125     -20.5050      2.00000
    126     -20.4435      2.00000
    127     -20.4409      2.00000
    128     -20.4289      2.00000
    129     -20.4136      2.00000
    130     -20.3994      2.00000
    131     -20.3963      2.00000
    132     -20.3912      2.00000
    133     -20.3746      2.00000
    134     -20.3420      2.00000
    135     -20.3022      2.00000
    136     -20.3020      2.00000
    137     -20.2893      2.00000
    138     -20.2320      2.00000
    139     -20.2313      2.00000
    140     -20.2310      2.00000
    141     -20.2023      2.00000
    142     -20.1981      2.00000
    143     -20.1611      2.00000
    144     -20.0935      2.00000
    145     -18.6097      2.00000
    146     -18.5762      2.00000
    147     -18.4974      2.00000
    148     -18.4933      2.00000
    149     -18.4808      2.00000
    150     -18.4746      2.00000
    151     -18.4626      2.00000
    152     -18.4397      2.00000
    153     -18.4257      2.00000
    154     -18.3670      2.00000
    155     -18.3497      2.00000
    156     -18.3299      2.00000
    157     -18.3165      2.00000
    158     -18.2677      2.00000
    159     -18.2325      2.00000
    160     -18.2199      2.00000
    161     -18.2072      2.00000
    162     -18.2007      2.00000
    163     -18.1806      2.00000
    164     -18.1584      2.00000
    165     -18.1326      2.00000
    166     -18.1156      2.00000
    167     -18.1049      2.00000
    168     -18.0775      2.00000
    169     -17.9723      2.00000
    170     -17.9370      2.00000
    171     -17.9242      2.00000
    172     -17.9137      2.00000
    173     -17.8725      2.00000
    174     -17.8319      2.00000
    175     -17.8110      2.00000
    176     -17.7817      2.00000
    177     -17.7676      2.00000
    178     -17.7588      2.00000
    179     -17.7259      2.00000
    180     -17.6980      2.00000
    181     -17.6396      2.00000
    182     -17.5858      2.00000
    183     -17.5609      2.00000
    184     -17.5497      2.00000
    185     -17.5371      2.00000
    186     -17.5265      2.00000
    187     -17.5199      2.00000
    188     -17.5097      2.00000
    189     -17.4934      2.00000
    190     -17.4835      2.00000
    191     -17.4774      2.00000
    192     -17.4654      2.00000
    193     -16.7702      2.00000
    194     -16.7568      2.00000
    195     -16.6833      2.00000
    196     -16.6762      2.00000
    197     -16.6395      2.00000
    198     -16.6361      2.00000
    199     -16.6067      2.00000
    200     -16.5657      2.00000
    201     -16.5353      2.00000
    202     -16.5083      2.00000
    203     -16.5032      2.00000
    204     -16.4908      2.00000
    205     -16.1939      2.00000
    206     -16.1824      2.00000
    207     -16.1530      2.00000
    208     -16.1383      2.00000
    209     -16.0934      2.00000
    210     -16.0838      2.00000
    211     -16.0595      2.00000
    212     -16.0173      2.00000
    213     -16.0036      2.00000
    214     -15.9349      2.00000
    215     -15.9228      2.00000
    216     -15.8133      2.00000
    217     -15.7252      2.00000
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   1354       3.1197     -0.00000
   1355       3.1487     -0.00000
   1356       3.1796     -0.00000
   1357       3.1940     -0.00000
   1358       3.2122     -0.00000
   1359       3.2313     -0.00000
   1360       3.2606     -0.00000
   1361       3.3267     -0.00000
   1362       3.4280     -0.00000
   1363       3.4741     -0.00000
   1364       3.5176     -0.00000
   1365       3.6152     -0.00000
   1366       3.6531     -0.00000
   1367       3.7172     -0.00000
   1368       3.7205     -0.00000
   1369       3.7687     -0.00000
   1370       3.7814     -0.00000
   1371       3.8010     -0.00000
   1372       3.8325     -0.00000
   1373       3.8546     -0.00000
   1374       3.8758     -0.00000
   1375       3.8884      0.00000
   1376       3.9052      0.00000
   1377       3.9151      0.00000
   1378       3.9416      0.00000
   1379       3.9567      0.00000
   1380       3.9750      0.00000
   1381       3.9799      0.00000
   1382       3.9960      0.00000
   1383       4.0209      0.00000
   1384       4.0414      0.00000
   1385       4.0494      0.00000
   1386       4.0700      0.00000
   1387       4.0849      0.00000
   1388       4.0958      0.00000
   1389       4.1085      0.00000
   1390       4.1154      0.00000
   1391       4.1213      0.00000
   1392       4.1318      0.00000
   1393       4.1533      0.00000
   1394       4.1563      0.00000
   1395       4.1652      0.00000
   1396       4.1708      0.00000
   1397       4.1928      0.00000
   1398       4.1991      0.00000
   1399       4.2135      0.00000
   1400       4.2293      0.00000
   1401       4.2376      0.00000
   1402       4.2545      0.00000
   1403       4.2652      0.00000
   1404       4.2829      0.00000
   1405       4.3033      0.00000
   1406       4.3113      0.00000
   1407       4.3345      0.00000
   1408       4.3416      0.00000
   1409       4.3660      0.00000
   1410       4.3725      0.00000
   1411       4.3750      0.00000
   1412       4.4013      0.00000
   1413       4.4022      0.00000
   1414       4.4184      0.00000
   1415       4.4319      0.00000
   1416       4.4587      0.00000
   1417       4.4630      0.00000
   1418       4.4855      0.00000
   1419       4.4889      0.00000
   1420       4.5038      0.00000
   1421       4.5076      0.00000
   1422       4.5169      0.00000
   1423       4.5323      0.00000
   1424       4.5576      0.00000
   1425       4.5756      0.00000
   1426       4.5856      0.00000
   1427       4.6036      0.00000
   1428       4.6179      0.00000
   1429       4.6251      0.00000
   1430       4.6436      0.00000
   1431       4.6557      0.00000
   1432       4.6938      0.00000
   1433       4.7006      0.00000
   1434       4.7018      0.00000
   1435       4.7420      0.00000
   1436       4.7830      0.00000
   1437       4.8026      0.00000
   1438       4.8296      0.00000
   1439       4.8439      0.00000
   1440       4.8563      0.00000
   1441       4.8764      0.00000
   1442       4.8952      0.00000
   1443       4.9149      0.00000
   1444       4.9432      0.00000
   1445       4.9625      0.00000
   1446       4.9694      0.00000
   1447       4.9847      0.00000
   1448       4.9872      0.00000
   1449       4.9982      0.00000
   1450       5.0162      0.00000
   1451       5.0386      0.00000
   1452       5.0419      0.00000
   1453       5.0668      0.00000
   1454       5.0856      0.00000
   1455       5.1004      0.00000
   1456       5.1124      0.00000
   1457       5.1291      0.00000
   1458       5.1418      0.00000
   1459       5.1496      0.00000
   1460       5.1726      0.00000
   1461       5.1948      0.00000
   1462       5.2026      0.00000
   1463       5.2199      0.00000
   1464       5.2248      0.00000
   1465       5.2373      0.00000
   1466       5.2467      0.00000
   1467       5.2645      0.00000
   1468       5.2923      0.00000
   1469       5.2990      0.00000
   1470       5.3075      0.00000
   1471       5.3091      0.00000
   1472       5.3310      0.00000
   1473       5.3327      0.00000
   1474       5.3500      0.00000
   1475       5.3602      0.00000
   1476       5.3657      0.00000
   1477       5.3789      0.00000
   1478       5.3867      0.00000
   1479       5.3933      0.00000
   1480       5.4023      0.00000
   1481       5.4127      0.00000
   1482       5.4132      0.00000
   1483       5.4320      0.00000
   1484       5.4384      0.00000
   1485       5.4448      0.00000
   1486       5.4584      0.00000
   1487       5.4699      0.00000
   1488       5.4741      0.00000
   1489       5.4792      0.00000
   1490       5.4845      0.00000
   1491       5.5011      0.00000
   1492       5.5178      0.00000
   1493       5.5274      0.00000
   1494       5.5335      0.00000
   1495       5.5349      0.00000
   1496       5.5426      0.00000
   1497       5.5545      0.00000
   1498       5.5665      0.00000
   1499       5.5757      0.00000
   1500       5.5859      0.00000
   1501       5.5985      0.00000
   1502       5.6053      0.00000
   1503       5.6115      0.00000
   1504       5.6265      0.00000
   1505       5.6345      0.00000
   1506       5.6439      0.00000
   1507       5.6600      0.00000
   1508       5.6658      0.00000
   1509       5.6704      0.00000
   1510       5.6840      0.00000
   1511       5.6862      0.00000
   1512       5.7062      0.00000
   1513       5.7173      0.00000
   1514       5.7284      0.00000
   1515       5.7386      0.00000
   1516       5.7454      0.00000
   1517       5.7504      0.00000
   1518       5.7536      0.00000
   1519       5.7729      0.00000
   1520       5.7892      0.00000
   1521       5.7947      0.00000
   1522       5.8109      0.00000
   1523       5.8165      0.00000
   1524       5.8246      0.00000
   1525       5.8310      0.00000
   1526       5.8386      0.00000
   1527       5.8442      0.00000
   1528       5.8609      0.00000
   1529       5.8741      0.00000
   1530       5.8822      0.00000
   1531       5.8869      0.00000
   1532       5.8977      0.00000
   1533       5.9067      0.00000
   1534       5.9266      0.00000
   1535       5.9331      0.00000
   1536       5.9340      0.00000
   1537       5.9396      0.00000
   1538       5.9617      0.00000
   1539       5.9695      0.00000
   1540       5.9763      0.00000
   1541       5.9875      0.00000
   1542       5.9953      0.00000
   1543       6.0005      0.00000
   1544       6.0166      0.00000
   1545       6.0245      0.00000
   1546       6.0285      0.00000
   1547       6.0395      0.00000
   1548       6.0440      0.00000
   1549       6.0525      0.00000
   1550       6.0667      0.00000
   1551       6.0779      0.00000
   1552       6.0833      0.00000
   1553       6.0858      0.00000
   1554       6.1015      0.00000
   1555       6.1093      0.00000
   1556       6.1155      0.00000
   1557       6.1186      0.00000
   1558       6.1238      0.00000
   1559       6.1309      0.00000
   1560       6.1398      0.00000
   1561       6.1475      0.00000
   1562       6.1549      0.00000
   1563       6.1675      0.00000
   1564       6.1768      0.00000
   1565       6.1842      0.00000
   1566       6.1944      0.00000
   1567       6.2042      0.00000
   1568       6.2094      0.00000
   1569       6.2242      0.00000
   1570       6.2255      0.00000
   1571       6.2312      0.00000
   1572       6.2446      0.00000
   1573       6.2582      0.00000
   1574       6.2646      0.00000
   1575       6.2817      0.00000
   1576       6.2852      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.085  13.408  -0.001   0.001   0.000   0.002  -0.004   0.000
 13.408  17.825  -0.001   0.002   0.000   0.002  -0.005   0.000
 -0.001  -0.001  -4.229   0.003   0.000   8.272  -0.004  -0.001
  0.001   0.002   0.003  -4.230   0.001  -0.004   8.271  -0.001
  0.000   0.000   0.000   0.001  -4.222  -0.001  -0.001   8.262
  0.002   0.002   8.272  -0.004  -0.001 -18.307   0.007   0.001
 -0.004  -0.005  -0.004   8.271  -0.001   0.007 -18.304   0.001
  0.000   0.000  -0.001  -0.001   8.262   0.001   0.001 -18.298
 total augmentation occupancy for first ion, spin component:           1
  8.532  -3.852   0.170   0.131  -0.058   0.021   0.025  -0.009
 -3.852   1.812  -0.088  -0.089   0.033  -0.009  -0.015   0.005
  0.170  -0.088   1.789  -0.060  -0.035   0.169  -0.011  -0.006
  0.131  -0.089  -0.060   1.915  -0.073  -0.011   0.180  -0.010
 -0.058   0.033  -0.035  -0.073   1.222  -0.007  -0.010   0.081
  0.021  -0.009   0.169  -0.011  -0.007   0.018  -0.002  -0.001
  0.025  -0.015  -0.011   0.180  -0.010  -0.002   0.018  -0.001
 -0.009   0.005  -0.006  -0.010   0.081  -0.001  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -53617.42480105951.99525 31391.35787-12624.27036  6758.32884 23841.51090
  Hartree  1715.02656132923.97051 69567.16489-12911.43935  4721.23198 18296.24345
  E(xc)  -10740.16564-10596.43539-10639.14230     2.37870     8.02101    30.85642
  Local   18508.30701************************ 25521.00610-11510.46660-41576.79691
  n-local -5856.98098 -5981.52791 -6040.88239     5.56057    15.26592   -59.71201
  augment  1490.41289  1538.77747  1486.55137     4.89603    13.30866    -1.40151
  Kinetic 45555.58771 43256.19741 43753.13092   -27.15938   -74.39625  -539.05937
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -37.3785266   -411.3199074    -81.2883285    -29.0277023    -68.7064376     -8.3590360
  in kB       -6.2331685    -68.5908869    -13.5554794     -4.8406017    -11.4573484     -1.3939362
  external PRESSURE =     -29.4598450 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.269E+03 -.121E+03 0.251E+03   0.269E+03 0.121E+03 -.252E+03   -.850E-01 -.489E+00 0.136E+01   -.187E-02 0.103E-02 0.393E-03
   -.224E+03 -.145E+03 0.518E+02   0.224E+03 0.146E+03 -.514E+02   0.160E+00 -.103E+01 -.480E+00   -.134E-02 0.845E-03 0.341E-03
   -.192E+03 -.131E+03 0.410E+01   0.192E+03 0.132E+03 -.261E+01   0.381E+00 -.119E+01 -.166E+01   -.155E-02 -.168E-03 0.272E-03
   -.247E+03 -.108E+03 0.349E+03   0.247E+03 0.109E+03 -.352E+03   -.199E+00 0.140E+00 0.235E+01   -.185E-02 0.522E-03 0.557E-03
   -.199E+03 -.153E+03 0.313E+03   0.199E+03 0.154E+03 -.314E+03   0.226E+00 -.930E+00 0.114E+01   -.974E-03 0.157E-03 0.184E-03
   -.176E+03 -.119E+03 0.172E+03   0.176E+03 0.119E+03 -.172E+03   0.109E+00 0.579E-02 0.162E+00   -.121E-02 0.641E-03 0.223E-03
   -.280E+03 -.137E+03 0.183E+03   0.280E+03 0.142E+03 -.184E+03   0.358E+00 -.438E+01 0.714E+00   -.208E-02 -.501E-03 -.474E-04
   -.203E+03 -.118E+03 0.290E+02   0.204E+03 0.123E+03 -.316E+02   -.351E+00 -.392E+01 0.197E+01   -.112E-02 0.499E-03 0.503E-03
   -.126E+03 0.761E+01 0.202E+03   0.126E+03 -.768E+01 -.202E+03   0.812E-01 0.328E-01 -.331E-01   -.124E-02 -.158E-04 -.275E-05
   -.102E+03 0.909E+02 0.682E+02   0.101E+03 -.923E+02 -.671E+02   0.445E+00 0.126E+01 -.124E+01   -.169E-02 0.529E-03 -.654E-04
   -.113E+03 0.121E+03 0.139E+03   0.112E+03 -.122E+03 -.139E+03   0.281E+00 0.870E+00 -.351E+00   -.189E-02 -.224E-04 -.577E-03
   -.130E+03 0.531E+01 0.340E+03   0.130E+03 -.555E+01 -.342E+03   -.568E-02 0.553E+00 0.120E+01   -.107E-02 0.239E-03 0.307E-03
   -.134E+03 -.272E+02 0.375E+03   0.134E+03 0.280E+02 -.377E+03   -.163E+00 -.100E+01 0.221E+01   -.146E-02 -.439E-03 0.662E-03
   -.139E+03 0.408E+02 0.314E+03   0.139E+03 -.410E+02 -.316E+03   -.823E-01 0.429E-01 0.143E+01   -.176E-02 -.652E-03 0.243E-03
   -.141E+03 0.116E+03 0.282E+03   0.140E+03 -.120E+03 -.284E+03   0.542E+00 0.397E+01 0.212E+01   -.113E-02 0.123E-02 0.478E-03
   -.109E+03 0.132E+03 0.106E+03   0.109E+03 -.135E+03 -.109E+03   0.316E+00 0.299E+01 0.314E+01   -.128E-02 -.997E-04 -.639E-04
   -.108E+03 0.124E+03 0.641E+02   0.108E+03 -.119E+03 -.600E+02   -.633E+00 -.489E+01 -.388E+01   -.967E-03 0.205E-03 -.467E-03
   -.351E+02 0.208E+03 -.154E+03   0.344E+02 -.210E+03 0.156E+03   0.678E+00 0.168E+01 -.197E+01   -.155E-02 0.181E-03 -.103E-02
   -.312E+01 0.154E+03 -.209E+03   0.268E+01 -.154E+03 0.212E+03   0.297E+00 0.203E+00 -.190E+01   -.971E-03 0.749E-03 -.544E-04
   -.938E+02 0.128E+03 0.195E+03   0.947E+02 -.127E+03 -.198E+03   -.998E+00 -.919E+00 0.347E+01   -.126E-02 0.269E-04 -.107E-03
   -.250E+02 0.889E+02 -.514E+01   0.236E+02 -.906E+02 0.635E+01   0.138E+01 0.180E+01 -.106E+01   -.873E-03 0.681E-03 0.414E-04
   -.334E+02 0.180E+02 -.152E+03   0.335E+02 -.182E+02 0.153E+03   -.334E+00 0.113E+00 -.758E+00   -.666E-03 0.916E-03 -.275E-03
   -.667E+02 -.269E+02 -.190E+03   0.670E+02 0.272E+02 0.190E+03   -.313E+00 -.559E+00 0.664E+00   -.101E-02 0.536E-03 -.149E-02
   -.599E+02 -.719E+02 -.249E+03   0.610E+02 0.736E+02 0.248E+03   -.119E+01 -.182E+01 0.107E+01   -.463E-03 0.789E-03 -.175E-02
   -.362E+02 -.155E+03 -.359E+03   0.358E+02 0.155E+03 0.361E+03   0.549E+00 -.594E+00 -.199E+01   0.176E-03 0.766E-03 -.173E-02
   -.128E+03 -.171E+03 -.172E+03   0.129E+03 0.171E+03 0.171E+03   -.685E+00 -.520E+00 0.189E+01   -.179E-02 0.104E-02 -.173E-02
   -.103E+03 -.292E+03 -.209E+03   0.103E+03 0.293E+03 0.209E+03   -.154E+00 -.972E+00 0.275E+00   -.884E-03 0.712E-03 -.153E-02
   -.587E+02 -.263E+03 -.316E+03   0.587E+02 0.264E+03 0.317E+03   -.769E-01 -.126E+01 -.628E+00   0.730E-04 0.679E-03 -.758E-03
   -.546E+02 -.173E+02 -.237E+03   0.602E+02 0.254E+02 0.232E+03   -.562E+01 -.801E+01 0.517E+01   -.289E-03 -.915E-03 -.128E-02
   -.301E+02 0.514E+02 0.385E+02   0.250E+02 -.604E+02 -.342E+02   0.502E+01 0.907E+01 -.442E+01   -.795E-03 0.666E-03 -.532E-04
   -.220E+03 -.315E+02 -.468E+02   0.221E+03 0.320E+02 0.487E+02   0.143E-01 -.192E+00 -.170E+01   0.349E-03 0.103E-02 0.720E-03
   -.154E+03 -.157E+03 0.129E+03   0.154E+03 0.158E+03 -.129E+03   0.681E-01 -.126E+01 -.108E+00   0.106E-02 0.682E-03 0.315E-03
   -.172E+03 -.155E+03 0.167E+03   0.172E+03 0.157E+03 -.168E+03   0.110E+00 -.171E+01 0.985E+00   0.132E-02 -.746E-03 0.956E-04
   -.328E+03 0.644E+01 -.166E+03   0.328E+03 -.826E+01 0.169E+03   0.417E+00 0.205E+01 -.297E+01   -.783E-03 0.413E-03 -.292E-03
   -.313E+03 -.711E+02 -.196E+03   0.312E+03 0.711E+02 0.198E+03   0.360E+00 -.146E+00 -.140E+01   -.541E-03 0.193E-03 0.559E-03
   -.239E+03 -.700E+02 -.185E+02   0.239E+03 0.699E+02 0.186E+02   0.274E+00 0.232E+00 -.173E+00   0.564E-03 -.195E-04 0.493E-03
   -.117E+03 -.504E+02 -.518E+01   0.118E+03 0.538E+02 0.825E+01   -.443E+00 -.421E+01 -.267E+01   0.106E-02 -.352E-03 -.140E-03
   -.716E+02 -.144E+03 0.114E+03   0.718E+02 0.147E+03 -.110E+03   -.229E+00 -.301E+01 -.375E+01   0.188E-02 0.149E-03 0.106E-04
   -.208E+03 0.491E+02 -.279E+02   0.208E+03 -.495E+02 0.281E+02   0.833E-01 0.129E+00 0.324E-01   0.790E-03 -.857E-03 0.332E-03
   -.119E+03 0.639E+02 0.179E+03   0.119E+03 -.649E+02 -.180E+03   0.202E+00 0.115E+01 0.183E+01   0.189E-02 0.235E-04 -.272E-03
   -.814E+02 0.890E+02 0.993E+02   0.815E+02 -.904E+02 -.996E+02   -.243E+00 0.119E+01 0.478E+00   0.926E-03 -.557E-03 -.283E-03
   -.236E+03 0.856E+02 -.240E+03   0.236E+03 -.865E+02 0.240E+03   0.149E-01 0.107E+01 -.967E+00   0.836E-04 -.526E-03 0.819E-04
   -.191E+03 0.418E+02 -.310E+03   0.191E+03 -.420E+02 0.312E+03   0.153E+00 0.976E-01 -.227E+01   0.381E-03 -.532E-03 -.691E-03
   -.113E+03 0.673E+02 -.166E+03   0.113E+03 -.683E+02 0.167E+03   0.139E+00 0.792E+00 -.125E+01   0.419E-03 -.129E-02 -.338E-03
   -.565E+02 0.109E+03 -.105E+03   0.561E+02 -.114E+03 0.106E+03   0.372E+00 0.472E+01 -.445E+00   0.827E-03 0.906E-03 -.134E-03
   -.155E+02 0.882E+02 0.123E+03   0.150E+02 -.928E+02 -.120E+03   0.439E+00 0.412E+01 -.193E+01   0.171E-02 -.962E-03 0.165E-03
   0.400E+02 0.573E+02 0.970E+02   -.386E+02 -.515E+02 -.987E+02   -.114E+01 -.568E+01 0.166E+01   0.102E-02 0.344E-03 -.180E-03
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   0.479E+02 -.396E+03 0.379E+02   -.781E+02 0.432E+03 -.142E+02   0.303E+02 -.362E+02 -.236E+02   -.284E-02 -.624E-03 0.522E-02
   -.135E+03 0.251E+02 0.378E+02   0.148E+03 -.571E+02 0.683E+01   -.128E+02 0.321E+02 -.444E+02   -.712E-03 -.328E-02 0.436E-02
   0.771E+03 -.104E+03 0.904E+02   -.803E+03 0.128E+03 -.126E+03   0.316E+02 -.239E+02 0.364E+02   0.157E-01 -.115E-01 -.234E-02
   0.785E+02 0.362E+03 0.148E+03   -.436E+02 -.391E+03 -.175E+03   -.354E+02 0.293E+02 0.267E+02   0.168E-01 -.545E-02 0.529E-02
   0.793E+03 0.262E+03 0.141E+03   -.831E+03 -.296E+03 -.116E+03   0.372E+02 0.338E+02 -.248E+02   0.903E-03 -.354E-03 -.318E-02
   0.738E+03 -.101E+03 -.514E+03   -.745E+03 0.110E+03 0.565E+03   0.753E+01 -.867E+01 -.517E+02   0.193E-02 0.188E-02 -.746E-02
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   0.492E+02 0.543E+03 -.812E+02   -.585E+02 -.591E+03 0.810E+02   0.940E+01 0.489E+02 0.134E+00   -.710E-02 0.268E-02 0.651E-02
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   -.219E+03 0.201E+03 0.660E+03   0.256E+03 -.227E+03 -.687E+03   -.369E+02 0.254E+02 0.273E+02   -.175E-02 -.643E-03 0.494E-02
   0.922E+02 0.414E+03 0.298E+03   -.126E+03 -.446E+03 -.279E+03   0.337E+02 0.325E+02 -.191E+02   -.172E-02 -.412E-02 0.298E-02
 -----------------------------------------------------------------------------------------------
   0.662E+01 0.117E+01 -.243E+01   -.698E-11 -.176E-11 -.568E-12   -.656E+01 -.118E+01 0.254E+01   -.547E-01 0.100E-01 -.923E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.95351      3.15639      1.41139         0.006905      0.055881     -0.061900
     12.75479      3.57586      2.72091         0.032037      0.228529     -0.055978
     12.70821      4.95035      3.04079         0.080305      0.000788     -0.171330
     12.98005      4.07275      0.37125        -0.019821      0.319182     -0.048923
     12.92243      5.44108      0.67285         0.025537     -0.273347      0.100024
     12.83968      5.92975      2.00424         0.057407      0.109308      0.057739
     13.06318      1.67566      1.36880        -0.070474      0.315659     -0.082041
     12.57414      2.32945      3.55162         0.153631      0.354186     -0.637261
     12.93731      7.43398      2.24451         0.104616     -0.041569     -0.202942
     12.90073      8.04781      3.53109         0.113415     -0.136799     -0.121036
     13.21092      9.41025      3.67220         0.007865     -0.229210     -0.335960
     13.16595      8.30554      1.13816         0.158081      0.307193      0.098875
     13.38676      9.68911      1.28296        -0.104949     -0.291254     -0.149753
     13.43282     10.22246      2.56538         0.036554     -0.193696     -0.096561
     13.65672     11.61864      3.01544         0.044766      0.211654     -0.326363
     13.36695     10.25849      4.88909        -0.230804     -0.429878      0.045181
     13.72856     12.74694      5.30164        -0.115637     -0.130146      0.250832
     13.40564     12.66075      6.66009        -0.030269     -0.013906      0.047729
     13.42331     13.76600      7.50613        -0.141348      0.098634      0.247973
     14.02754     14.03744      4.84728        -0.068675     -0.196871      0.378885
     14.03197     15.14110      5.72394        -0.047377      0.031148      0.145373
     13.77108     15.08406      7.13495        -0.239607     -0.171434      0.381803
     13.80499     16.22532      8.20277        -0.007358     -0.326453      0.018261
     13.26087     16.16781      9.54735        -0.013223     -0.017239     -0.121676
     13.35966     17.26667     10.43055         0.086267     -0.144248     -0.144553
     14.37388     17.49115      7.92106         0.140158     -0.233633      0.017674
     14.39134     18.59325      8.77190         0.049438     -0.218419      0.012276
     13.91804     18.48633     10.06699        -0.055236     -0.176173     -0.021902
     12.49937     15.01809     10.18476        -0.015416      0.091720      0.337766
     14.54943     16.37151      5.06822        -0.122596      0.055968     -0.114082
      9.66497      3.85612      4.79380         0.161945      0.319064      0.154041
      9.77221      4.78916      3.77532         0.021049      0.239815      0.184789
      9.92937      6.15093      4.09123        -0.029065     -0.118827      0.052272
      9.68163      4.23075      6.12866         0.140593      0.237998     -0.045528
      9.74889      5.58555      6.45488         0.147860     -0.147342     -0.125713
      9.90590      6.57816      5.45113         0.003272      0.129359     -0.057526
      9.48193      2.51496      4.24058        -0.015948     -0.830130      0.396634
      9.71171      4.03986      2.47640        -0.007948      0.025457      0.343599
     10.01810      8.03110      5.83603        -0.077705     -0.230177      0.159240
     10.20997      9.03766      4.86076        -0.006558      0.151211      0.032789
     10.28015     10.37507      5.24563        -0.167777     -0.161369      0.109757
      9.90275      8.44350      7.19480         0.080459      0.209639     -0.140436
      9.98410      9.79367      7.57541         0.123467     -0.139633     -0.183383
     10.16513     10.75175      6.57929         0.145345     -0.215698      0.008902
     10.28759     12.22163      6.67191         0.020827     -0.073817      0.012869
     10.44678     11.61227      4.42274        -0.108898     -0.431632      1.362392
     10.79894     14.07545      4.99755         0.220195      0.093811     -0.060024
     11.31168     14.41338      3.74434         0.104931      0.166738     -0.120761
     11.72538     15.71204      3.44885        -0.062951      0.158930     -0.130486
     10.77091     15.13124      5.92320        -0.153856      0.169376     -0.145295
     11.06741     16.47472      5.57661         0.092571     -0.011526     -0.028479
     11.57389     16.85193      4.26381         0.141426     -0.044211      0.005234
     12.03467     18.24797      3.74415        -0.080221     -0.051290     -0.144365
     12.53576     18.65105      2.43054         0.030901     -0.170887      0.133995
     12.74520     20.00724      2.10121         0.148053      0.044549      0.143398
     11.93416     19.35035      4.61064        -0.097256     -0.028449     -0.036878
     12.17252     20.68272      4.29581        -0.129230      0.018248     -0.149343
     12.56003     21.06249      3.01432         0.111629      0.035947      0.031506
     12.89264     17.75334      1.23578         0.069347     -0.397276     -0.352811
     10.81092     17.41680      6.74673        -0.102050     -0.178743      0.204241
     10.27437      7.12485     14.62261         0.106437     -0.035749     -0.247367
     10.15339      7.55416     15.93904         0.055355     -0.120534     -0.145326
     10.15412      8.92892     16.26046         0.019847      0.125012     -0.097643
     10.28336      8.06907     13.59009         0.037796      0.116119      0.215268
     10.27407      9.44330     13.89701         0.017484     -0.262200      0.142763
     10.26543      9.92838     15.23174        -0.092841      0.044592      0.433219
     10.30458      5.59821     14.57558        -1.339432      3.365968      3.567860
      9.92476      6.30797     16.78389         0.310251      0.364427     -1.187447
     10.33092     11.44436     15.51685         0.138982     -0.050095      0.009369
     10.27766     12.02470     16.83043         0.189369     -0.137015     -0.142063
     10.48310     13.41184     17.01765         0.045458     -0.275565     -0.298039
     10.50275     12.36212     14.43559         0.114763      0.239756      0.140019
     10.66353     13.74988     14.62675        -0.085360     -0.253332     -0.125012
     10.67487     14.25438     15.92563         0.014959     -0.124911     -0.127444
     10.80006     15.66179     16.38812         0.055279      0.111055     -0.195764
     10.50071     14.27794     18.25114         0.017083     -0.276577     -0.013649
     10.65062     16.83970     18.64243        -0.006068      0.116784      0.056981
     10.20279     16.78504     19.95968        -0.143050      0.181587      0.083589
      9.99618     17.92945     20.73623        -0.124367      0.134104      0.056529
     10.94340     18.14723     18.18248         0.020906     -0.035383      0.283585
     10.86920     19.28235     19.02675         0.000460     -0.023216      0.410599
     10.36745     19.25067     20.39357        -0.134954     -0.184362      0.150236
     10.17118     20.40687      0.16990         0.099689      0.148073     -0.021383
      9.63536     20.32807      1.52400         0.173508     -0.294092     -0.043643
      9.52330      0.19931      2.36274        -0.209126     -0.057957     -0.299298
     10.54137      0.49794     21.14232        -0.074208     -0.302848      0.181822
     10.20470      1.63324      0.62568         0.217563     -0.105162      0.057903
      9.71285      1.51723      1.92466        -0.013475      0.042320     -0.044132
      9.10741     19.09021      2.26527         0.331692      0.063513      0.036685
     11.34778     20.55444     18.38717         0.187813      0.147658     -0.231874
      7.03596      7.64608     17.51135         0.297026      0.110524     -0.052637
      7.11340      8.59097     16.50086         0.049528      0.283691     -0.037124
      7.25902      9.95609     16.80553         0.122718      0.002724     -0.038899
      7.12343      8.01928     18.84608         0.214551      0.248607      0.181249
      7.16288      9.38557     19.16590         0.179115     -0.168712     -0.240335
      7.23876     10.39572     18.16062         0.009230      0.039812     -0.067140
      6.79894      6.31117     16.92029         0.309448     -0.112505      0.156091
      7.03151      7.85684     15.18596         0.203456     -0.177717      0.751582
      7.27429     11.86488     18.54558        -0.099439     -0.206661     -0.098138
      7.43216     12.93502     17.61483        -0.096213      0.124253      0.124458
      7.37460     14.26723     18.06218        -0.103745     -0.296011     -0.060020
      7.11696     12.21665     19.90631         0.100695      0.249879     -0.104243
      7.11393     13.54727     20.34607         0.144315     -0.226682     -0.176750
      7.20206     14.56807     19.40845         0.099264     -0.107931      0.018716
      7.20827     16.04166     19.59062         0.027923     -0.561799     -0.356777
      7.52290     15.56990     17.32670        -0.338946     -0.589323      1.012718
      7.60733     18.02478     18.05620         0.108340      0.050070      0.107184
      8.29270     18.43831     16.91675         0.076350      0.280819     -0.081228
      8.63364     19.77314     16.71186        -0.072348     -0.064226     -0.112742
      7.31307     19.05576     18.97323        -0.186778      0.220264     -0.295945
      7.46527     20.43125     18.63080         0.156066     -0.218791      0.034317
      8.17017     20.87363     17.44543         0.126097      0.089752      0.033307
      8.62210      1.02386     16.97101         0.003736     -0.189102      0.075575
      9.13850      1.33803     15.65913         0.082707      0.443155     -0.076569
      9.52213      2.68298     15.33640         0.188990     -0.032981     -0.180639
      8.64695      2.14116     17.84982        -0.044932      0.023137     -0.382263
      9.06324      3.43927     17.53137         0.054813     -0.358745     -0.290627
      9.51837      3.76656     16.24719         0.300244      0.134537     -0.049033
      9.48164      0.38863     14.46110         0.741183     -0.201079      0.143562
      6.93618      0.10683     19.68844        -0.359760     -0.136398      0.096029
      6.97211     10.86356      6.11735         0.018299      0.168738      0.013387
      6.80407     11.31855      7.41776         0.090543      0.282617     -0.049241
      6.92312     12.68402      7.73346        -0.047294     -0.143788     -0.033505
      7.30591     11.74151      5.09338        -0.067146      0.143606      0.066620
      7.43443     13.10214      5.40033        -0.181863     -0.161859      0.097639
      7.22318     13.62343      6.70689        -0.115111      0.260204      0.074003
      6.91534      9.38737      6.11408         0.092273     -0.045175     -0.705844
      6.64705     10.10532      8.28490         0.044034      0.401916      0.174223
      7.32293     15.12552      6.94069        -0.138007     -0.063517      0.036905
      7.09729     15.76645      8.19398         0.005288      0.010730      0.050698
      7.21759     17.16982      8.31167         0.031701     -0.245908     -0.220425
      7.65982     15.97387      5.84949        -0.130889      0.190296      0.147505
      7.68153     17.36915      5.95652        -0.049236     -0.223033     -0.069718
      7.46824     17.96473      7.20330        -0.058541     -0.200702      0.003970
      7.69083     19.37079      7.65503         0.020064      0.241431     -0.634932
      7.27344     18.06657      9.51304        -0.130935     -0.732817      0.573983
      7.61115     20.58161      9.91003        -0.091866      0.152703      0.157440
      7.13476     20.55602     11.22283         0.000554      0.260036      0.145910
      6.96066      0.45250     11.99759         0.224925      0.112558      0.041462
      7.99809      0.60871      9.49414         0.117562     -0.010920      0.025247
      8.04601      1.71900     10.38862        -0.079084      0.028769     -0.003003
      7.49132      1.74147     11.71669         0.052889      0.045782      0.162663
      7.42690      2.95007     12.75814        -0.157011     -0.070028      0.555784
      6.89429      2.90049     14.12425         0.032450     -0.469619     -0.457168
      6.76052      4.02848     14.96901        -0.004221     -0.310846     -0.501991
      7.87750      4.28511     12.51449        -0.104931     -0.383040     -0.024640
      7.64296      5.41983     13.30760         0.095449      0.136024      0.107056
      7.06959      5.33409     14.58192         0.108039      0.236502     -0.073662
      6.20888      1.68799     14.77560         0.595530      0.437574     -0.441911
      8.73245      2.90735      9.79581         0.221261     -0.327271     -0.377485
      4.05441     11.49537     10.75446         0.115741      0.123546     -0.037034
      3.78308     12.36441      9.70504         0.185741      0.153532      0.099115
      3.83434     13.74731      9.87740         0.152924      0.063487     -0.013681
      4.39189     11.98050     12.01098         0.126166      0.209478     -0.046631
      4.44560     13.37178     12.19909         0.077946     -0.121014     -0.174442
      4.17998     14.28944     11.14306         0.108236      0.244635     -0.011061
      3.84304     10.10568     10.29744         0.151790      0.093991      0.189921
      3.40687     11.54946      8.51902         0.038792      0.307861     -0.271776
      4.27722     15.78943     11.35575         0.055502     -0.233831      0.041785
      4.08147     16.73036     10.30679        -0.067948      0.205830     -0.019252
      4.13056     18.11188     10.57925         0.060162     -0.145554      0.161324
      4.63629     16.29475     12.63261        -0.012053      0.166567     -0.313509
      4.76269     17.66488     12.87438         0.031234     -0.174345     -0.031387
      4.40945     18.55998     11.86813         0.099500     -0.268427     -0.352532
      4.33317     20.02308     11.87128         0.178235      1.224619      1.805941
      4.14047     19.34494      9.70360        -0.167404     -0.402445     -0.228150
      4.43498      0.63896     10.15055         0.002652      0.047483     -0.006021
      4.80706      0.96400      8.84671        -0.000934      0.214161     -0.054341
      5.19326      2.26157      8.48199         0.106629     -0.013432      0.123043
      4.38659      1.75571     11.01124        -0.121502      0.168827     -0.138444
      4.71548      3.09820     10.62541         0.148663     -0.017707      0.019322
      5.29294      3.40711      9.31385         0.049900     -0.000393     -0.013921
      5.92102      4.78923      8.73326        -0.108718     -0.106231      0.176144
      6.45399      5.10580      7.41822        -0.186460     -0.072355      0.087297
      6.70430      6.44638      6.98511         0.011038     -0.098898      0.202805
      5.87024      5.95325      9.51927         0.089675     -0.149614      0.020924
      6.16598      7.25104      9.13076         0.075805      0.232080      0.127211
      6.53216      7.56748      7.82639         0.140364     -0.271653      0.141388
      6.55259      4.05944      6.31737        -0.118558     -0.120002     -0.117459
      4.45874      4.05732     11.81381         0.092944     -0.580540      0.337575
      1.08977     14.31587      0.80770         0.074774     -0.052386      0.204268
      1.67966     14.73850      1.99953        -0.081141     -0.093237     -0.169706
      1.67175     16.12053      2.33115        -0.060142     -0.019808     -0.025973
      0.65234     15.20887     21.10153         0.043156      0.226206     -0.050931
      0.72321     16.56877      0.12481        -0.054978     -0.276758      0.374623
      1.13157     17.07049      1.38842        -0.016640     -0.034627      0.183516
      1.08069     12.84093      0.73532         0.050156      0.243796      0.200703
      2.30202     13.46682      2.59741         0.463305      0.001986      0.946356
      0.98362     18.57572      1.59509         0.191603     -0.265187      0.125271
      1.34876     19.26560      2.78703        -0.017633      0.039631     -0.125700
      1.17921     20.65989      2.84482         0.011355     -0.334464     -0.084059
      0.50168     19.36806      0.51292        -0.039548      0.258765      0.073825
      0.33615     20.75414      0.58893        -0.031934     -0.289194      0.019894
      0.65399      0.12270      1.78178        -0.075497     -0.313830     -0.232409
      0.64573      1.55732      2.09272        -0.126363      0.340086     -0.292200
      1.59650      0.38767      3.87655         0.227616     -0.238901      0.341770
      1.42554      2.95049      4.04477        -0.018959      0.004548      0.146539
      1.98224      2.95539      5.31545        -0.110391      0.043730     -0.272429
      2.11853      4.11348      6.05102         0.094492      0.144296      0.117981
      1.01270      4.21380      3.58347        -0.046854     -0.120526      0.056323
      1.17849      5.39029      4.35144         0.028468     -0.070040      0.229613
      1.80859      5.44038      5.63809         0.094199      0.186810      0.400438
      2.15235      6.71658      6.50298        -0.024591     -0.205592     -0.056037
      2.64501      6.66076      7.84897        -0.326079      0.091064     -0.542250
      3.13329      7.75070      8.58863        -0.050605     -0.059510     -0.277132
      2.10416      8.08115      6.07472         0.093536     -0.251052      0.276943
      2.57630      9.17704      6.80870        -0.153502      0.154272     -0.051474
      3.10157      9.05266      8.10654        -0.047199      0.290321     -0.369092
      2.87486      5.37526      8.54591         0.339695     -0.002101     -0.310450
      0.53017      6.58619      3.73585        -0.013682      0.033801     -0.462066
      4.70287     14.09091      0.67873        -0.144031     -0.068774      0.069367
      4.04162     14.99553     -0.14222        -0.029615      0.221797     -0.012709
      4.02421     16.38337      0.19111         0.064477      0.025891      0.078509
      5.39920     14.53195      1.79875        -0.055438      0.367694      0.165486
      5.41613     15.90064      2.11461        -0.146850     -0.216361     -0.266169
      4.71435     16.88438      1.36059        -0.118550      0.006898     -0.270062
      4.53603     12.69530      0.16640        -0.023054      0.390836      0.142223
      3.44998     14.15684     19.97590         0.060082      0.067941      0.246629
      4.76532     18.36374      1.83411        -0.113215      0.067895     -0.186005
      4.10263     19.47317      1.19921         0.088022     -0.124013     -0.037417
      4.26050     20.79562      1.68393         0.093649     -0.278067     -0.046315
      5.55039     18.70358      2.97552        -0.157321      0.264388     -0.060546
      5.70794     20.02059      3.44764         0.028518     -0.477369      0.025868
      5.05755     21.05317      2.79283        -0.030487     -0.033365     -0.045822
      5.09664      1.25451      3.06505         0.471346      0.260285      0.518574
      3.75903      0.88079      1.20883        -0.107951     -0.146305     -0.332282
      3.96900      3.33366      2.07511        -0.043405     -0.158107     -0.003017
      3.07925      3.91040      1.16173         0.024231      0.260445      0.242915
      2.75538      5.27774      1.16934         0.068254      0.299319     -0.106654
      4.42433      4.26233      3.02312         0.276660     -0.171931     -0.059769
      4.18431      5.65421      2.90962        -0.104075      0.066283      0.132655
      3.38347      6.32669      1.95613        -0.217487      0.018311     -0.604096
      3.15877      7.98770      1.87885        -0.022315     -0.208472     -0.307626
      2.20836      8.58514      0.98748        -0.189855      0.147828      0.086120
      1.88079      9.95670      0.90146        -0.136725      0.060821     -0.033067
      3.71948      9.03690      2.69672        -0.103547      0.480761     -0.511440
      3.32060     10.40972      2.71090        -0.248013     -0.640891     -0.284315
      2.37531     10.92912      1.79500         0.277295     -0.262535      0.571444
      1.44094      7.70993      0.04910         0.118780      0.280031     -0.497814
      4.84723      6.43475      3.97175         0.034420      0.085056     -0.088636
     18.18773     17.31407     13.50096        -0.043966      0.184024     -0.087861
     19.23871     17.80004     14.27209        -0.194103      0.148464      0.131947
     19.49737     19.17450     14.37809        -0.137166      0.085797      0.178276
     17.39061     18.19597     12.77193         0.083795      0.238704      0.068220
     17.62226     19.58035     12.90598        -0.044615     -0.235137      0.022629
     18.66203     20.12090     13.71878        -0.179353      0.088685      0.045915
     18.15123     15.82887     13.59279        -0.153334      0.177234      0.105693
     19.92388     16.61968     14.89523        -0.434681      0.320444     -0.238554
     18.78746      0.37077     13.93365        -0.165497     -0.169650      0.060774
     19.79709      0.96075     14.74827        -0.138864      0.039539      0.170491
     19.74881      2.32681     15.08361        -0.202009     -0.248028     -0.140106
     17.79471      1.25092     13.42042         0.023050      0.136076      0.188800
     17.79127      2.63111     13.70005        -0.031957     -0.203032     -0.082061
     18.77567      3.16050     14.53970        -0.056265     -0.270117      0.028374
     18.99113      4.54103     15.05654        -0.477711      0.094066     -0.255648
     20.54347      3.14489     16.07295        -0.510960     -0.362668     -0.491023
     20.64063      5.63573     16.65287         0.193308      0.403236     -0.060531
      0.69176      5.61030     17.14076        -0.052833     -0.267137     -0.143785
      1.35657      6.78476     17.48276         0.962551      0.046696      0.217741
     20.05452      6.91952     16.68855         0.525506     -0.174455      0.516089
     20.65620      8.03856     17.33271         0.373565     -0.105888     -0.160237
      0.80160      8.05140     17.73103        -0.468338      0.261850      0.257008
      1.68210      9.20379     18.38338        -0.099792      0.088293     -0.131987
      3.00958      9.11659     18.95938         0.069686     -0.274153      0.207786
      3.66421     10.21525     19.61278         0.257401      0.467737     -0.097005
      1.17067     10.51181     18.58143        -0.152128     -0.534400     -0.027372
      1.85852     11.61787     19.06830         0.257642      0.077987      0.358294
      3.13951     11.53978     19.62149        -0.344207     -0.217133     -0.089339
      4.00172      7.93720     18.86740        -0.566602     -0.871449     -0.060663
     19.67692      9.17956     17.51417         0.187451     -0.322708      0.054554
      2.03368     18.17048     14.10139        -0.048233      0.139168      0.220467
      1.27752     19.11404     13.40989         0.115019      0.098306      0.290121
      1.35492     20.46649     13.74605         0.206948      0.145184     -0.125781
      2.98569     18.56078     15.04980        -0.238323      0.175027      0.025359
      3.16135     19.93597     15.29200        -0.120041     -0.293476     -0.203653
      2.29774     20.91591     14.70895         0.063978      0.245021      0.120043
      1.70044     16.82756     13.59652         0.065396     -0.077671     -0.159301
      0.46049     18.40106     12.38314        -0.094154     -0.006413     -0.022382
      2.45559      1.13368     15.01038         0.095041     -0.317618      0.172110
      1.76769      2.13442     14.27698         0.144799      0.347893      0.094370
      2.06627      3.48976     14.48175        -0.034107     -0.252251      0.154320
      3.37625      1.56553     15.99818        -0.259720      0.237880     -0.149474
      3.69703      2.92769     16.16220        -0.177890     -0.113303      0.280934
      3.07409      3.87675     15.36532        -0.610499     -0.136203      0.085573
      3.19008      5.35179     15.32990         0.851776      0.888078      0.543723
      1.40157      4.73317     13.96352         2.680849     -0.570195      1.864708
      1.66021      7.24195     14.51922        -0.166325      0.092726      0.184262
      0.37294      7.54774     14.06318        -0.193367      0.003051     -0.064589
     21.07270      8.82560     14.14437        -0.066849     -0.008086     -0.063294
      2.32307      8.35066     15.10546        -0.114787      0.283203     -0.285089
      1.77919      9.66956     15.11727        -0.111306      0.290510     -0.122313
      0.44135      9.99436     14.62902        -0.223383     -0.152799      0.011373
     20.90163     11.34428     14.62366         0.088572      0.147354     -0.134414
     19.54653     11.65311     14.14246         0.210275     -0.254441      0.106667
     19.05184     12.96982     14.06478         0.038576     -0.021037      0.263340
      0.29582     12.53830     14.99261         0.030743     -0.027777     -0.034352
     -0.25131     13.81983     15.05239         0.231277      0.020324     -0.080836
     19.73453     14.09179     14.56564         0.067798     -0.013813      0.070602
     18.51282     10.68062     13.57799        -0.367761     -0.311150     -0.122556
      2.75350     10.70394     15.67747         0.343061     -0.295481      0.070757
     16.09410      0.41406      5.20841         0.008769      0.174743      0.007362
     16.89857      0.86993      6.24414        -0.059481      0.231530      0.086466
     16.98937      2.24567      6.53673        -0.076592     -0.111623      0.083784
     15.29250      1.29848      4.50583         0.201962      0.204670      0.087290
     15.34791      2.66461      4.81466         0.193693     -0.175161      0.091563
     16.21691      3.19342      5.79658         0.102175      0.054183      0.190459
     16.35787     20.23385      4.96506        -0.131968      0.241911     -0.150023
     17.58467     20.91614      6.81378         0.037440      0.383830     -0.186863
     16.27495      4.70069      6.01875        -0.021752     -0.148214      0.095453
     17.12838      5.31981      6.97271        -0.068736      0.029197      0.210568
     17.07551      6.70990      7.18822        -0.262592     -0.170875     -0.073053
     15.41195      5.56920      5.29465         0.092143      0.173979      0.151886
     15.40102      6.95918      5.48550        -0.003058     -0.233800     -0.038637
     16.25152      7.52742      6.42618        -0.091483     -0.227151     -0.004541
     16.42008      8.93787      6.85877        -0.313385      0.252531     -0.395523
     17.66486      7.57810      8.25441         0.300630     -0.582198      0.476123
     17.77788     10.11453      8.64339        -0.007921      0.161445      0.110496
     18.81246     10.01209      9.56344        -0.053923      0.071018     -0.098624
     19.41243     11.13057     10.12745         0.110621      0.135810      0.113979
     17.34606     11.43769      8.40276        -0.092836     -0.024005      0.105472
     17.84278     12.55134      9.12550         0.381572     -0.033640      0.077143
     18.96624     12.46443     10.04909         0.160788      0.036917      0.034982
     19.75095     13.58215     10.82060        -0.429548      0.337337     -0.067039
     21.00193     13.48249     11.55240        -0.020080     -0.534051     -0.196978
      0.40434     14.59514     12.09772        -0.102465      0.060079     -0.236914
     19.27673     14.92961     10.85948        -0.073529     -0.053686      0.098513
     19.98763     16.05164     11.32848        -0.176935      0.002009      0.009162
     21.22956     15.91183     11.95993        -0.364331      0.143359     -0.011303
      0.64638     12.25678     11.72456         0.009228     -0.153133     -0.181544
     17.11187     13.82454      8.78372        -0.118922      0.117220     -0.145270
     20.38653      1.30606      6.11248         0.078968      0.011480      0.139772
     19.82870      2.35490      5.38311        -0.011921      0.087376      0.131925
     19.85668      3.65730      5.83875        -0.188891      0.215875      0.038087
     20.89978      1.53676      7.38842        -0.076892      0.088842     -0.205871
     20.91926      2.85301      7.86419        -0.194568     -0.020863     -0.135619
     20.43011      3.94593      7.09680        -0.054879      0.399886      0.276310
     20.19992      0.05779      5.32539        -0.089115     -0.178643      0.223630
     19.11733      1.79237      4.20583        -0.317438      0.351634     -0.395655
     20.52128      5.37943      7.56108        -0.035350     -0.148633      0.184836
     20.13937      6.42367      6.70020        -0.157982      0.326030      0.074362
     20.41095      7.75753      7.03079        -0.016959     -0.163514      0.358823
     -0.21065      5.75202      8.82226        -0.272542      0.144549     -0.146945
      0.14631      7.07335      9.11953        -0.356307      0.002582     -0.117686
     21.10520      8.07366      8.19285        -0.379169     -0.474615     -0.024061
      0.08761      9.51927      8.20542         0.815558      0.816927      1.318658
     20.07773      9.04281      6.35174        -0.545617     -0.382196     -0.640200
     20.43877     11.49867      6.89219        -0.165259      0.368386     -0.144219
     19.56040     11.90785      5.88725        -0.102026      0.130992     -0.051044
     19.21892     13.24195      5.67421        -0.070840      0.095266     -0.112966
     20.97287     12.55632      7.65862         0.014254      0.090482     -0.288684
     20.69789     13.91688      7.36193        -0.017747     -0.024674     -0.153662
     19.74558     14.36424      6.36213        -0.065884      0.082419     -0.173639
     19.21921     15.81784      6.07164         0.020618     -0.043040     -0.132445
     18.34933     16.24970      4.99760         0.183425     -0.099319     -0.113655
     17.82824     17.56646      4.89605         0.181845     -0.125460     -0.021026
     19.49096     16.91660      6.93067         0.075753     -0.194766     -0.039106
     18.90814     18.17863      6.89868        -0.024808     -0.061762     -0.050036
     18.00670     18.53629      5.89588         0.073321     -0.000356      0.079904
     17.78771     15.33207      3.92098         0.000910      0.278287     -0.254156
      0.28950     14.86936      8.15427         0.447279     -0.088671      0.038343
     12.54782      5.26196      4.07584         0.062427     -0.074959     -0.054262
     12.98047      3.73663     20.59469         0.226951     -0.016727     -0.092256
     12.94816      6.13170     21.08573        -0.043932     -0.092288      0.144360
     12.62110      7.46254      4.41100         0.175082      0.038537      0.001821
     13.21124      7.92193      0.11331        -0.071492      0.007523      0.254424
     13.52595     10.32909      0.40518         0.024166     -0.105097      0.097022
     13.10869     13.54016      8.51815         0.253073      0.014934     -0.186952
     13.08813     11.71233      7.06907         0.103905     -0.189683      0.174841
     14.23571     14.21332      3.80207         0.107304     -0.048709     -0.079862
     12.95349     17.15790     11.43271         0.016827      0.022726     -0.020787
     14.77539     17.70396      6.95123         0.197540     -0.125243      0.101259
     14.74420     19.53957      8.37110         0.237052      0.144465      0.036258
     10.11149      6.87213      3.29549        -0.220390     -0.012175     -0.097508
      9.54343      3.47816      6.88810         0.221859      0.043034     -0.021494
      9.63336      5.85612      7.51402         0.227118     -0.036802     -0.338953
     10.32574      8.77109      3.81399        -0.136805      0.091192     -0.116270
      9.71420      7.71575      7.99114         0.127948      0.063936     -0.202928
      9.91889     10.08232      8.62589        -0.061431      0.006837     -0.006317
     12.26353     15.80069      2.51660        -0.150499     -0.017470     -0.021795
     11.52224     13.65085      3.01061        -0.093683     -0.167614     -0.253362
     10.54222     14.89892      6.95868        -0.192542      0.097450     -0.103363
     13.01764     20.23129      1.07552         0.184275      0.081585      0.153916
     11.62926     19.21048      5.63311         0.021961      0.021920     -0.141825
     11.95037      0.17291      5.03569         0.085560      0.212685      0.378925
      9.98294      9.23467     17.29753         0.231864     -0.097744     -0.046364
     10.21491      7.76418     12.54932         0.202602     -0.108819     -0.153206
     10.23450     10.13843     13.05253         0.059380     -0.094345      0.155443
     10.03869     11.38611     17.68733         0.246331      0.132775      0.001428
     10.53076     12.01710     13.39445        -0.009916     -0.033104      0.283429
     10.76432     14.42488     13.76813         0.041568     -0.151509      0.114740
      9.52681     17.71678      0.43213         0.157058      0.090312     -0.360878
      9.98067     15.83145     20.40890        -0.159073     -0.314193      0.146109
     11.15195     18.30748     17.12912         0.354672     -0.034028      0.107238
      9.30435      0.05714      3.40744        -0.323926     -0.050720      0.123749
     11.17094      0.73751     20.30502        -0.092357     -0.133002     -0.114399
     10.42569      2.61477      0.22395         0.104300      0.111286     -0.149207
      7.48397     10.67069     16.00845        -0.402552     -0.062020     -0.039027
      7.04223      7.27209     19.63774         0.208175      0.037594     -0.111033
      7.08691      9.63937     20.23253         0.220385      0.003388     -0.339980
      7.64022     12.73203     16.56529        -0.194335      0.035954     -0.085393
      6.93264     11.45292     20.66478         0.225269      0.100989     -0.143930
      7.01112     13.75551      0.14597         0.182361      0.085799      0.013084
      9.38699     19.93444     15.95986        -0.084241     -0.102499     -0.069017
      8.69051     17.71390     16.22955         0.098532     -0.254725     -0.333964
      7.02647     18.79358     19.99024        -0.395125      0.091524     -0.206869
      9.74687      2.89027     14.28702         0.306956     -0.071027      0.358060
      8.37828      2.01401     18.88673        -0.182379     -0.068325      0.038655
      8.99816      4.20282     18.28157         0.028880      0.292953      0.489214
      6.81137     13.00757      8.76866        -0.013753     -0.010524      0.027088
      7.52341     11.37145      4.09099        -0.102010      0.008761     -0.067527
      7.75279     13.75641      4.58696        -0.151924     -0.006811      0.081756
      6.85430     15.17699      9.08162         0.082867      0.038943      0.005899
      7.99743     15.54416      4.89726        -0.286391      0.154541      0.215677
      8.02159     17.94808      5.09928        -0.219014      0.107441      0.056911
      6.30865      0.28524     12.83906         0.336232      0.041996      0.171229
      6.82934     19.60367     11.62335        -0.217912     -0.226289      0.310164
      8.22518      0.78192      8.44482         0.298347     -0.090281      0.136358
      6.42131      3.88978     15.97759        -0.192722     -0.084399      0.207803
      8.39580      4.53542     11.60896         0.090049     -0.071652     -0.099391
      7.89191      6.39385     12.89141         0.167209     -0.000157     -0.014003
      3.57603     14.40608      9.04913         0.066390     -0.094207     -0.057643
      4.57516     11.29685     12.83891         0.065991      0.033381     -0.069307
      4.68496     13.72443     13.20876        -0.021539     -0.002639     -0.247799
      3.90043     16.37272      9.29478        -0.057304      0.129907     -0.119606
      4.76550     15.61461     13.47570         0.244552      0.075261     -0.148118
      5.14833     18.00611     13.83148        -0.084245      0.111360      0.046273
      5.44626      2.31883      7.43736         0.081085      0.051212      0.082426
      4.86020      0.18983      8.09826        -0.075989     -0.171362     -0.355741
      4.18357      1.58938     12.06404        -0.338235     -0.026543     -0.211172
      6.95463      6.63537      5.94221         0.209774     -0.231899      0.274197
      5.48144      5.91516     10.51250         0.090551     -0.065631      0.122079
      6.03788      8.03942      9.86307        -0.017914      0.052134      0.143782
      2.10433     16.47019      3.28176        -0.172143     -0.165505     -0.232906
      0.36801     14.87756     20.10639        -0.250291     -0.126604     -0.020619
      0.44951     17.25880     20.59205        -0.103684     -0.128892     -0.035537
      1.81792     18.74347      3.62688        -0.173882      0.050889     -0.022109
      0.27141     18.92485     20.80289        -0.035477      0.015900      0.167390
      0.01526      0.07746     20.98703        -0.100128      0.006005     -0.088966
      2.48674      3.83737      7.01807        -0.089659      0.289089     -0.396036
      2.29737      2.02542      5.75458         0.101385     -0.262604      0.270101
      0.55150      4.30451      2.60794        -0.125055     -0.095322      0.088855
      3.57852      7.57366      9.54729        -0.157104     -0.033021      0.406245
      1.69320      8.37734      5.12398         0.032685     -0.186626     -0.109703
      2.47572     10.17392      6.38156         0.014937     -0.072318     -0.116863
      3.42941     17.07622     20.84206         0.254062     -0.142802     -0.043868
      5.92582     13.82313      2.43623         0.020431     -0.067808      0.054341
      6.01453     16.18107      2.98169        -0.142311      0.047312     -0.011176
      3.45420     19.29741      0.33614         0.149402      0.079429     -0.018804
      6.12537     17.94220      3.50523        -0.198877      0.034107     -0.053411
      6.36946     20.22455      4.29046        -0.040954     -0.000195      0.087832
      1.89257      5.42193      0.53819         0.306908      0.215328     -0.008976
      2.50450      3.26688      0.51745        -0.158636     -0.074282     -0.413882
      4.94527      3.91164      3.90751         0.163767      0.034934     -0.281965
      1.23794     10.27993      0.07998        -0.129079     -0.241686      0.366062
      4.50599      8.88105      3.41358         0.186005     -0.201413     -0.138749
      3.75692     11.04823      3.47840         0.133700      0.035560     -0.115344
     20.34561     19.51435     14.97295        -0.101593     -0.061692      0.144919
     16.61956     17.81924     12.09118        -0.030568      0.089951      0.175635
     16.92902     20.23159     12.36085         0.278067     -0.016757      0.063137
     20.60685      0.34453     15.13061         0.017936     -0.045313      0.266629
     16.95921      0.85235     12.82746         0.287832      0.153211      0.123584
     16.99046      3.25203     13.29237         0.094897      0.087108      0.025752
      2.44635      6.68220     17.47939        -0.681370     -0.018595      0.357349
      1.24218      4.67167     17.15012         0.100298      0.048659     -0.018347
     19.13489      7.08408     16.17068        -0.738480     -0.005149      0.034202
      4.62025     10.03477     20.12880        -0.469377      0.033436     -0.374428
      0.14296     10.72338     18.35758        -0.190991      0.040857     -0.258760
      1.35096     12.56754     19.05172        -0.256154      0.269929     -0.044838
      0.74620     21.19605     13.20915        -0.049691     -0.128569     -0.029936
      3.61423     17.80898     15.55105        -0.192418      0.254127     -0.129629
      4.07825     20.20567     15.83838        -0.567022      0.157862      0.128274
      1.00653      1.85060     13.55966        -0.127378      0.094843     -0.225728
      3.99469      0.82597     16.52894        -0.525871      0.306342      0.081420
      4.48272      3.22113     16.85533        -0.241717      0.079324      0.172086
     20.04448      8.86078     13.80491         0.124257      0.034677      0.078002
     20.98824      6.74793     13.71956        -0.078238     -0.023922     -0.258879
      3.24773      8.20467     15.65461         0.175722     -0.037802     -0.349344
     18.12663     13.11640     13.52883        -0.245206      0.094162      0.212973
      1.36177     12.54659     15.15722        -0.221983     -0.058574      0.074285
      0.40864     14.62735     15.33550         0.101523      0.120010      0.204959
     17.69957      2.58291      7.29217        -0.118537     -0.048620      0.154838
     14.65081      0.92734      3.71868         0.075301     -0.033512     -0.109701
     14.69405      3.33507      4.25907         0.233448     -0.051760      0.018758
     17.84382      4.72571      7.54267        -0.172630     -0.002074      0.155343
     14.70209      5.17021      4.56596         0.187577      0.013576      0.108718
     14.69264      7.57706      4.94245         0.109696      0.038942     -0.107187
     20.33181     10.88082     10.62408        -0.151156      0.142602      0.215071
     19.20377      9.03485      9.78783         0.233153     -0.270122      0.216447
     16.62623     11.63056      7.61162        -0.100963     -0.103385      0.224976
      1.30606     14.44393     12.65958         0.258117     -0.137523      0.006204
     18.28606     15.18794     10.48552         0.255732     -0.256941      0.027970
     19.57078     17.04484     11.15322        -0.052909     -0.133762      0.072517
     19.37195      4.42706      5.23569         0.091958     -0.054751     -0.003596
     21.23334      0.70649      8.00714         0.159013     -0.031580      0.043442
      0.08625      3.01601      8.85106        -0.094370      0.074984      0.069325
     19.69101      6.19871      5.74113        -0.225817      0.038165      0.177069
      0.01375      4.98037      9.55043        -0.213118      0.094534      0.182790
      0.65395      7.30334     10.04781         0.013680      0.102777      0.295082
     18.45822     13.33737      4.91201         0.140043      0.150461      0.180278
     19.07211     11.14933      5.29322        -0.100178     -0.003237     -0.260351
      0.34056     12.34118      8.51786         0.165998     -0.006088     -0.264026
     17.15300     17.77755      4.07159         0.200816      0.034354      0.033338
     20.17596     16.81559      7.74563         0.081263     -0.068948      0.018141
     19.17365     18.89416      7.66480         0.079324      0.044966      0.191111
     13.95348     19.31629     10.77360        -0.069933      0.021972     -0.001996
     18.89005     21.00288      3.65531         0.360301      0.215422     -0.016996
     12.73145      1.20081      2.67181        -0.086781     -0.298760     -0.148085
     13.63637     11.58558      4.44993         0.087795      0.738064     -0.127920
      9.57668      2.63701      2.80933         0.022022     -0.180154      0.123894
     10.50235     12.71186      5.33641         0.097374      0.280598      0.292704
      9.89980      5.15963     15.89558        -0.040908     -0.635073      0.152822
     10.68723     15.64627     17.81944         0.059817      0.331028     -0.253981
      6.91222      6.44788     15.49402         0.198357     -0.155808     -0.096132
      7.40116     16.61730     18.30424         0.052442      0.492974      0.038183
      6.67109      8.95010      7.43221        -0.025247     -0.254694     -0.016825
      7.55921     19.39517      9.07565         0.025879      0.384563      0.006247
      3.49526     10.17175      8.90324        -0.012933     -0.288279     -0.045392
      4.20404     20.50869     10.55330         0.084193      0.228044      0.035326
      1.98959     12.33421      1.71928        -0.409434      0.184578     -0.100430
      1.23414      1.70068      3.37812        -0.011296      0.293478     -0.064929
      3.71385     12.73284     20.27298         0.046092      0.043851      0.053719
      4.22932      1.89393      2.13012         0.147220      0.378869     -0.001871
     19.26122     15.44246     14.42724        -0.343991     -0.313414     -0.260019
     20.05366      4.48362     16.00439        -0.025119      0.477890      0.075536
      0.70998     16.99689     12.55073         0.045099     -0.244987      0.348641
      2.11535      5.86130     14.52869         0.188751      0.476019      0.243112
     17.33869     19.81690      5.90555         0.126513     -0.177920     -0.026676
     17.31022      8.93725      7.96100        -0.086650      0.280994      0.072429
     19.39692      0.42734      4.22697        -0.047702     -0.282093     -0.114398
     20.67101     10.10112      7.09538         0.191692      0.151738      0.410998
     12.36640      2.29100      4.74491        -0.227015     -0.151449      0.709439
     13.40201      1.00849      0.40821         0.169865     -0.202905     -0.082055
     13.25314      9.87407      6.03941        -0.141834     -0.024942      0.215797
     13.78625     12.60505      2.29617         0.048682     -0.323951      0.475875
      9.77077      4.50198      1.35530        -0.052623      0.031867     -0.511607
      9.31285      1.48288      4.88616         0.089371      0.464570     -0.511822
     10.49691     11.65990      3.22052         0.059109      0.306122     -1.537685
     10.20904     12.89255      7.68696        -0.022252      0.161592      0.001042
      9.78116      6.30670     17.97954        -0.123154     -0.374080      1.298088
     10.60849      4.93269     13.66928         1.287968     -2.845150     -3.516687
     10.37239     13.89923     19.40163         0.100326      0.075297      0.181660
     10.94050     16.65500     15.68499         0.030024     -0.179389      0.229189
      7.08680      8.33600     14.07803        -0.048782      0.194666     -0.889080
      6.58518      5.28782     17.54745        -0.021578     -0.223307     -0.081879
      7.71048     15.70642     16.14348         0.087220      0.326254     -1.244124
      7.08644     16.64302     20.63710        -0.080976      0.505810      0.548183
      6.56817     10.11483      9.50178         0.100854     -0.222682      0.222615
      7.10666      8.67024      5.13995        -0.083184     -0.019152      0.127061
      7.12750     17.70076     10.67370         0.224511      0.222353     -0.121272
      7.97223     20.32258      6.94104        -0.214113      0.065390      0.242046
      3.09357     11.97393      7.41589         0.032472     -0.149279     -0.046813
      3.94383      9.10142     10.98203        -0.095465     -0.259719     -0.075802
      4.17707     19.35782      8.49011        -0.102880      0.089817     -0.538211
      4.36485     20.73406     12.89394        -0.031576     -0.826744     -1.349454
      2.97396     13.38139      3.61864        -0.366451     -0.033832     -0.554375
      0.36134     12.20387     21.25034        -0.296356     -0.476974     -0.236031
      2.16805      0.13232      4.92601         0.008311      0.214718     -0.159446
      0.23893      2.46546      1.37975        -0.029832     -0.056005      0.166062
      2.88751     14.56206     18.98172        -0.166157     -0.035240     -0.307737
      5.03818     11.70096      0.66223         0.107968     -0.544999      0.135587
      3.08677      1.10240      0.21769        -0.069037      0.089942     -0.163817
      5.77732      1.81484      3.91772        -0.259998     -0.158319     -0.351385
     -0.39253     16.66075     15.65988         0.511024     -0.093046      0.514081
     17.33196     15.08789     13.07461         0.029485     -0.040785      0.206482
      0.14054      2.72933     16.81996         0.540098     -0.120800      0.684406
     18.37229      5.54033     14.72246         0.084112      0.108799      0.106509
     20.98464     18.89651     11.54413        -0.032154     -0.048518     -0.161310
      2.20262     15.77159     13.95783        -0.248241      0.029333      0.044421
      0.44453      4.77163     13.27373        -2.800960      0.327816     -2.176367
      4.04977      6.04547     15.89663        -1.034015     -0.657076     -0.746687
     18.22082     20.86528      7.84711         0.254019     -0.158260      0.380750
     15.86639     19.55253      4.08183        -0.045835     -0.278643     -0.248634
     18.26262      7.17995      9.24459        -0.150803      0.203992      0.019733
     15.90093      9.92868      6.36561         0.318215      0.001102     -0.011165
     18.38487      2.35891      3.40222         0.190751     -0.060428      0.068451
     20.62382     20.18923      5.52674        -0.016154     -0.061867      0.060883
     19.37170      9.16689      5.35749         0.017655      0.031531      0.137878
      0.75676     10.13251      9.05002        -0.958111     -0.555392     -1.011533
     13.87031     17.53754      5.29199         0.152851     -0.156863     -0.028024
     15.79056     16.57435      5.58733         0.229519      0.153163      0.097682
     14.66026     16.28460      3.71832         0.041906      0.043506      0.292933
     11.98416     15.36501     11.41497        -0.038068     -0.216425     -0.054325
     11.41740     14.59455      9.46910         0.184796     -0.014285     -0.035293
     13.29623     13.92120     10.44458        -0.151776      0.052627      0.050099
     11.90431     18.06124      7.25419        -0.096282     -0.095456     -0.061464
      9.94171     18.41624      6.41148         0.232947      0.183358     -0.001802
     10.24990     16.77370      7.83124         0.172049      0.286311     -0.288763
     13.11902     18.45916      0.07745        -0.068263     -0.098051      0.277930
     14.03664     17.00086      1.39003        -0.455193      0.272240      0.211603
     11.89043     16.85483      0.90707         0.588028      0.210459      0.139270
     10.45941      0.32554     18.56325         0.499235     -0.137215     -0.316194
     12.54635     -0.26426     18.89783        -0.038028     -0.153846      0.006316
     11.52793     20.46029     17.03582         0.206507     -0.068581      0.248514
      8.90135     19.35316      3.59466        -0.247300     -0.141847     -0.042247
      7.91339     18.70097      1.74728        -0.290646     -0.065219     -0.317017
      9.86758     17.93859      2.29299        -0.289030      0.388840     -0.146512
      7.93745      0.74662     20.36890        -0.322559      0.148726      0.097446
      6.10731      1.06563     19.17074         0.105534      0.021462     -0.005577
      6.19986     20.72647     20.66453         0.175631      0.155180     -0.310136
      9.54060      1.05450     13.29028        -0.166494      0.474913     -0.425758
     10.77936     21.20255     14.61775         0.131737     -0.233435      0.411592
      8.75607     20.51179     14.17285         0.099678      0.538153      0.129792
      7.99316      4.05189      9.81311         0.339778      0.103482     -0.127722
      9.91809      3.19252     10.41394         0.119952      0.047981      0.119395
      9.02741      2.71064      8.47312         0.334344     -0.064992      0.430741
      6.03562      1.90213     16.09979        -0.062628     -0.155302      0.569389
      5.01538      1.53039     14.16406         0.029176     -0.447630      0.250299
      6.76350      0.44188     14.76211         0.229942      0.000709     -0.212946
      5.44195      4.96241     12.00667        -0.156900      0.361148      0.108680
      3.28661      4.77114     11.85779        -0.103069     -0.377026     -0.079315
      4.41915      3.35877     12.98697        -0.112769      0.308469     -0.389087
      7.15245      4.49410      5.16717        -0.143894     -0.083777      0.320668
      7.22612      2.92193      6.65207         0.103742      0.105627      0.145734
      5.29044      3.62953      5.95822         0.171688     -0.390168      0.172341
     -0.38072      7.22615      4.49664        -0.111179      0.244288      0.044388
      1.43000      7.57564      3.41938        -0.534609     -0.298711     -0.217331
     -0.15587      6.24978      2.62432        -0.357202     -0.032392      0.119301
      3.31486      5.55044      9.79421         0.110631      0.213161      0.019475
      1.87993      4.45008      8.70961        -0.075938     -0.101649      0.022797
      3.82973      4.74066      7.79924        -0.020712      0.014344      0.321626
      5.98444      7.00445      3.46954         0.159737      0.276232      0.033412
      4.07599      7.39921      4.54777         0.052937      0.104484      0.045021
      5.17476      5.67840      5.01431        -0.115519      0.140809      0.243363
      0.66374      8.34544     20.39116        -0.257649      0.273277      0.561313
      2.34529      6.96093     -0.64865        -0.474107      0.114485     -0.437195
      0.58112      6.85835      0.63184        -0.366024     -0.137378      0.016530
     19.49153      9.42800     18.84722        -0.111504      0.159486      0.114667
     20.07815     10.34883     16.93499        -0.144845      0.269876      0.111646
     18.45595      8.92771     16.97922        -0.236525     -0.049485      0.258530
      4.85210      7.94222     19.92238         0.091817      0.276282      0.311144
      3.67907      6.57210     18.81008         0.160108      0.969464     -0.061453
      4.66643      8.13538     17.69509        -0.067824      0.092944     -0.035393
      3.35414     11.45866     14.69192        -0.232099      0.038868     -0.124924
      2.20651     11.59462     16.54810         0.339302      0.033393     -0.259998
      3.80456     10.15360     16.36155        -0.082346     -0.011555     -0.298099
     17.39713     11.30507     13.07780         0.125509     -0.108178      0.099871
     18.97723      9.93334     12.51588        -0.169084     -0.051904      0.373216
     18.02267      9.78935     14.50724         0.382604      0.197816     -0.196612
     16.34214     14.25619      9.83835         0.045781      0.032575     -0.075687
     17.92774     14.87226      8.43504        -0.219071     -0.086276      0.129438
     16.26843     13.67446      7.71926         0.128771      0.117709      0.198589
      1.63764     12.47650     12.62644         0.228831     -0.042767      0.097496
      0.10849     11.05746     12.12920         0.053199      0.358315     -0.330220
      1.27699     11.97923     10.55146        -0.140955      0.203329     -0.089926
      1.05363     15.67149      7.34331        -0.050611      0.036765     -0.051596
     20.83379     15.69593      8.97019         0.415838      0.069260     -0.045154
      1.17424     14.25306      9.00435        -0.087385      0.090711     -0.381470
     17.07803     15.99365      2.96249         0.319328     -0.020722     -0.071655
     18.75118     14.64381      3.23160         0.065579     -0.084486      0.042743
     16.89629     14.40688      4.44075         0.268896      0.052817     -0.246783
 -----------------------------------------------------------------------------------
    total drift:                                0.007088     -0.001287      0.010623


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4557.7240814843 eV

  energy  without entropy=    -4557.8728822740  energy(sigma->0) =    -4557.77368175
 
 d Force = 0.1220032E-03[-0.391E-05, 0.248E-03]  d Energy = 0.1186372E-03 0.337E-05
 d Force = 0.1080847E+02[ 0.108E+02, 0.108E+02]  d Ewald  = 0.1080847E+02 0.461E-06


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   36(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.1126834E+01  (-0.1079444E+03)
 number of electron    2498.0000079 magnetization 
 augmentation part      162.8433226 magnetization 

  free energy =  -0.455659724962E+04  energy without entropy=  -0.455674641366E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   36(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3600
 total energy-change (2. order) :-0.2668585E+01  (-0.3151175E+01)
 number of electron    2498.0000079 magnetization 
 augmentation part      162.9358092 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8220
  0.8220

  free energy =  -0.455926583435E+04  energy without entropy=  -0.455941464574E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   36(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3696
 total energy-change (2. order) : 0.9067170E-01  (-0.6169210E-01)
 number of electron    2498.0000079 magnetization 
 augmentation part      162.8786447 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3533
  1.1868  1.5199

  free energy =  -0.455917516265E+04  energy without entropy=  -0.455932445092E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   36(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3600
 total energy-change (2. order) : 0.4188572E-02  (-0.5112592E-01)
 number of electron    2498.0000079 magnetization 
 augmentation part      162.7764161 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2665
  2.1401  0.9030  0.7564

  free energy =  -0.455917097408E+04  energy without entropy=  -0.455931986614E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   36(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) :-0.6097751E-02  (-0.1071643E-01)
 number of electron    2498.0000079 magnetization 
 augmentation part      162.7958405 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3176
  2.3653  0.9980  0.9980  0.9091

  free energy =  -0.455917707183E+04  energy without entropy=  -0.455932618966E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   36(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3624
 total energy-change (2. order) : 0.6358216E-02  (-0.6755343E-02)
 number of electron    2498.0000079 magnetization 
 augmentation part      162.8107311 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2721
  2.3901  0.9804  0.9804  1.0047  1.0047

  free energy =  -0.455917071361E+04  energy without entropy=  -0.455931962390E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   36(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3624
 total energy-change (2. order) :-0.5620527E-03  (-0.1189969E-02)
 number of electron    2498.0000079 magnetization 
 augmentation part      162.8179112 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2600
  2.4432  0.9725  0.9725  1.1998  1.1998  0.7721

  free energy =  -0.455917127567E+04  energy without entropy=  -0.455932047776E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   36(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3608
 total energy-change (2. order) : 0.9551694E-04  (-0.1567459E-03)
 number of electron    2498.0000079 magnetization 
 augmentation part      162.8229614 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2257
  2.4633  1.0611  1.0611  1.2317  1.2317  0.7656  0.7656

  free energy =  -0.455917118015E+04  energy without entropy=  -0.455932013861E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   36(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) :-0.1206517E-03  (-0.1089653E-03)
 number of electron    2498.0000079 magnetization 
 augmentation part      162.8197001 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2374
  2.5094  1.5636  1.0269  1.0269  1.1738  0.9750  0.9750  0.6484

  free energy =  -0.455917130080E+04  energy without entropy=  -0.455932034087E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   36(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) :-0.1330084E-03  (-0.1336412E-04)
 number of electron    2498.0000079 magnetization 
 augmentation part      162.8195843 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2614
  2.6348  1.9391  1.0547  1.0547  1.2623  0.9628  0.9056  0.9056  0.6329

  free energy =  -0.455917143381E+04  energy without entropy=  -0.455932045713E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   36(  11)  ---------------------------------------



 eigenvalue-minimisations  :  3288
 total energy-change (2. order) :-0.1305834E-03  (-0.5876675E-05)
 number of electron    2498.0000079 magnetization 
 augmentation part      162.8190765 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2536
  2.6287  1.9631  1.0394  1.0394  1.3412  0.9841  0.9841  0.9565  0.9565  0.6430

  free energy =  -0.455917156439E+04  energy without entropy=  -0.455932058194E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   36(  12)  ---------------------------------------



 eigenvalue-minimisations  :  2432
 total energy-change (2. order) :-0.8733000E-04  (-0.1336606E-05)
 number of electron    2498.0000079 magnetization 
 augmentation part      162.8193295 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3103
  2.7882  2.4150  1.4074  1.4074  1.0504  1.0504  0.9516  0.9516  0.8691  0.8691
  0.6532

  free energy =  -0.455917165172E+04  energy without entropy=  -0.455932067891E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   36(  13)  ---------------------------------------



 eigenvalue-minimisations  :  2640
 total energy-change (2. order) :-0.1302898E-03  (-0.1774838E-05)
 number of electron    2498.0000079 magnetization 
 augmentation part      162.8195470 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3339
  3.1480  2.5187  1.4705  1.4705  1.0446  1.0446  0.9837  0.9837  0.9359  0.9359
  0.8167  0.6537

  free energy =  -0.455917178201E+04  energy without entropy=  -0.455932080300E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   36(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2456
 total energy-change (2. order) :-0.6273642E-04  (-0.8062860E-06)
 number of electron    2498.0000079 magnetization 
 augmentation part      162.8195067 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3731
  3.7788  2.5529  1.0607  1.0607  1.4914  1.4914  1.1789  1.1789  0.9201  0.9201
  0.8258  0.6621  0.7279

  free energy =  -0.455917184475E+04  energy without entropy=  -0.455932086819E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   36(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2344
 total energy-change (2. order) :-0.4561277E-04  (-0.5202001E-06)
 number of electron    2498.0000079 magnetization 
 augmentation part      162.8193797 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4043
  4.2162  2.5965  1.9121  1.3595  1.0521  1.0521  1.0878  1.0878  0.9373  0.9373
  0.9785  0.9785  0.6556  0.8084

  free energy =  -0.455917189036E+04  energy without entropy=  -0.455932091409E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   36(  16)  ---------------------------------------



 eigenvalue-minimisations  :  2312
 total energy-change (2. order) :-0.1988336E-04  (-0.1854182E-06)
 number of electron    2498.0000079 magnetization 
 augmentation part      162.8193811 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4573
  4.6883  2.6123  2.1358  1.3072  1.3072  1.0644  1.0644  1.3246  1.3246  0.9237
  0.9237  0.8943  0.8943  0.6556  0.7392

  free energy =  -0.455917191025E+04  energy without entropy=  -0.455932093359E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   36(  17)  ---------------------------------------



 eigenvalue-minimisations  :  2312
 total energy-change (2. order) :-0.1435098E-04  (-0.1927948E-06)
 number of electron    2498.0000079 magnetization 
 augmentation part      162.8194330 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4783
  5.0777  2.7382  2.3879  1.5111  1.5111  1.0595  1.0595  1.1233  1.1233  0.9394
  0.9394  0.9735  0.9735  0.6544  0.7907  0.7907

  free energy =  -0.455917192460E+04  energy without entropy=  -0.455932094855E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   36(  18)  ---------------------------------------



 eigenvalue-minimisations  :  2256
 total energy-change (2. order) :-0.5014212E-05  (-0.6881187E-07)
 number of electron    2498.0000079 magnetization 
 augmentation part      162.8194330 magnetization 

  free energy =  -0.455917192961E+04  energy without entropy=  -0.455932095368E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0198       2 -56.1804       3 -56.0858       4 -55.8032       5 -55.8304
       6 -56.3394       7 -58.0919       8 -58.3038       9 -56.3316      10 -56.0070
      11 -56.0585      12 -55.8368      13 -55.7917      14 -55.9756      15 -58.0441
      16 -58.0930      17 -56.3218      18 -54.9146      19 -54.8473      20 -55.1354
      21 -55.6128      22 -55.6648      23 -55.7249      24 -55.6359      25 -54.9885
      26 -54.7924      27 -54.9322      28 -54.9567      29 -60.4221      30 -60.3850
      31 -55.6237      32 -55.8388      33 -55.7282      34 -55.2566      35 -55.5216
      36 -55.9946      37 -57.8197      38 -58.0916      39 -56.0975      40 -55.7900
      41 -55.9340      42 -55.7363      43 -55.7625      44 -55.8936      45 -58.0805
      46 -58.1971      47 -56.4991      48 -55.1494      49 -54.9951      50 -55.3183
      51 -55.9110      52 -55.8810      53 -55.7973      54 -55.7680      55 -55.1346
      56 -54.8604      57 -54.9714      58 -56.3683      59 -60.4134      60 -60.6291
      61 -55.9769      62 -56.0505      63 -55.9238      64 -55.7508      65 -55.7607
      66 -56.2425      67 -57.9951      68 -58.1554      69 -56.2624      70 -55.9245
      71 -56.0445      72 -55.7563      73 -55.6776      74 -55.9059      75 -58.0580
      76 -58.2142      77 -56.4935      78 -55.0729      79 -55.0097      80 -55.3221
      81 -55.8101      82 -55.8717      83 -55.9240      84 -55.9376      85 -55.1335
      86 -55.0646      87 -55.1546      88 -56.4554      89 -60.7456      90 -60.4494
      91 -55.6550      92 -55.7748      93 -55.6735      94 -55.4284      95 -55.5268
      96 -56.0086      97 -57.8433      98 -58.0164      99 -56.1059     100 -55.8609
     101 -55.9865     102 -55.5873     103 -55.6466     104 -55.8891     105 -58.0738
     106 -58.2236     107 -56.5049     108 -55.1022     109 -54.9570     110 -55.3728
     111 -55.8732     112 -55.8009     113 -55.8461     114 -55.9130     115 -55.2553
     116 -54.9654     117 -55.0658     118 -56.4658     119 -60.4709     120 -60.5632
     121 -55.8871     122 -55.9734     123 -55.8367     124 -55.7402     125 -55.7572
     126 -56.1542     127 -58.0134     128 -58.1970     129 -56.0605     130 -55.7249
     131 -55.8409     132 -55.6069     133 -55.5426     134 -55.7629     135 -57.8788
     136 -57.9939     137 -56.4042     138 -55.0165     139 -54.9584     140 -55.2076
     141 -55.7542     142 -55.8922     143 -55.9603     144 -55.9085     145 -55.1748
     146 -55.1069     147 -55.1945     148 -56.4568     149 -60.6341     150 -60.5683
     151 -55.5140     152 -55.6031     153 -55.4588     154 -55.2838     155 -55.3869
     156 -55.8284     157 -57.7998     158 -57.8686     159 -55.8660     160 -55.6259
     161 -55.8244     162 -55.4342     163 -55.5126     164 -55.7114     165 -58.0135
     166 -58.1151     167 -56.4516     168 -55.0743     169 -54.9377     170 -55.3095
     171 -55.9513     172 -55.9731     173 -55.8916     174 -55.7593     175 -55.2847
     176 -54.7494     177 -54.9628     178 -56.3831     179 -60.4583     180 -60.5919
     181 -55.8997     182 -56.1155     183 -55.9667     184 -55.6670     185 -55.6799
     186 -56.2158     187 -57.9963     188 -58.2218     189 -56.2190     190 -55.8497
     191 -55.9972     192 -55.7384     193 -55.6815     194 -55.8931     195 -58.0149
     196 -58.1938     197 -56.4700     198 -54.9794     199 -54.9502     200 -55.3003
     201 -55.8456     202 -55.9603     203 -55.9314     204 -55.8732     205 -55.1965
     206 -55.1882     207 -55.1142     208 -56.4480     209 -60.7537     210 -60.5421
     211 -55.9242     212 -56.1089     213 -55.9544     214 -55.7151     215 -55.7112
     216 -56.2302     217 -58.0427     218 -58.3169     219 -56.1305     220 -55.7995
     221 -55.8902     222 -55.5993     223 -55.4683     224 -55.7614     225 -57.9089
     226 -58.0928     227 -56.4361     228 -54.9889     229 -54.9874     230 -55.1350
     231 -55.6439     232 -55.9600     233 -55.9989     234 -55.6322     235 -55.1346
     236 -55.0822     237 -55.1510     238 -56.4658     239 -60.3463     240 -60.3546
     241 -55.9155     242 -55.9789     243 -55.8511     244 -55.7259     245 -55.7614
     246 -56.2017     247 -58.0153     248 -58.1562     249 -56.1877     250 -55.8416
     251 -55.9704     252 -55.7289     253 -55.7163     254 -55.8933     255 -57.9531
     256 -58.0551     257 -56.3912     258 -55.0788     259 -54.9183     260 -55.1875
     261 -55.7520     262 -55.8435     263 -55.9077     264 -55.9660     265 -55.4287
     266 -54.9513     267 -55.1367     268 -56.4929     269 -60.6196     270 -60.3957
     271 -55.8987     272 -55.9867     273 -55.7886     274 -55.7507     275 -55.7396
     276 -56.0990     277 -58.1101     278 -58.1812     279 -55.8563     280 -55.6061
     281 -55.7231     282 -55.4438     283 -55.3761     284 -55.6689     285 -58.0246
     286 -57.9820     287 -56.4813     288 -55.0037     289 -54.9544     290 -55.3628
     291 -55.8528     292 -55.8418     293 -55.8317     294 -55.7623     295 -55.1003
     296 -54.8788     297 -54.9539     298 -56.3550     299 -60.3954     300 -60.5357
     301 -55.8478     302 -55.9887     303 -55.8561     304 -55.5852     305 -55.6293
     306 -56.1173     307 -58.0391     308 -58.2269     309 -56.1601     310 -55.8152
     311 -55.9670     312 -55.6928     313 -55.6429     314 -55.8704     315 -57.9632
     316 -58.0982     317 -56.4268     318 -54.9862     319 -54.8962     320 -55.2171
     321 -55.7805     322 -55.8304     323 -55.9305     324 -55.9135     325 -55.1558
     326 -55.1404     327 -55.2044     328 -56.4642     329 -60.5922     330 -60.3967
     331 -55.7900     332 -55.8049     333 -55.6756     334 -55.6142     335 -55.6006
     336 -56.0384     337 -57.9467     338 -57.9409     339 -55.8630     340 -55.5395
     341 -55.7157     342 -55.4743     343 -55.5035     344 -55.6962     345 -57.9434
     346 -58.0109     347 -56.3867     348 -54.8875     349 -54.9152     350 -55.2547
     351 -55.7423     352 -55.8327     353 -55.7894     354 -55.6945     355 -55.1761
     356 -54.7965     357 -54.9291     358 -56.3713     359 -60.4261     360 -60.4900
     361 -39.1918     362 -38.8029     363 -38.9608     364 -39.1789     365 -38.9422
     366 -38.7294     367 -38.1003     368 -37.9492     369 -38.1530     370 -38.1375
     371 -38.1603     372 -38.1973     373 -38.8943     374 -38.3676     375 -38.6666
     376 -38.9381     377 -38.8747     378 -38.8187     379 -38.1551     380 -38.1321
     381 -38.2242     382 -38.0629     383 -38.1802     384 -38.0197     385 -38.9432
     386 -38.7506     387 -38.9115     388 -38.9487     389 -38.8122     390 -38.5435
     391 -38.2015     392 -38.1319     393 -38.2516     394 -38.1503     395 -38.2315
     396 -38.2225     397 -38.7789     398 -38.3660     399 -38.6511     400 -38.9258
     401 -38.6739     402 -38.7819     403 -38.2010     404 -38.1175     405 -38.2633
     406 -38.1436     407 -38.0819     408 -37.9678     409 -38.8321     410 -38.7884
     411 -38.9823     412 -38.7505     413 -38.8238     414 -38.5871     415 -38.1785
     416 -38.1256     417 -38.0990     418 -38.2773     419 -38.2446     420 -38.2442
     421 -38.5822     422 -38.2931     423 -38.4926     424 -38.7005     425 -38.5476
     426 -38.6443     427 -38.1132     428 -38.0268     429 -38.3285     430 -38.2047
     431 -38.0569     432 -37.9200     433 -38.8642     434 -38.6756     435 -38.9798
     436 -38.8203     437 -39.0054     438 -38.7169     439 -38.4233     440 -38.0198
     441 -38.2291     442 -38.3518     443 -38.2854     444 -38.0192     445 -38.8665
     446 -38.7825     447 -38.8573     448 -38.8067     449 -38.7549     450 -38.3965
     451 -38.0893     452 -37.9318     453 -38.1553     454 -38.1349     455 -38.0079
     456 -38.0104     457 -38.9560     458 -38.6761     459 -38.8458     460 -38.9680
     461 -38.8428     462 -38.6836     463 -38.1904     464 -38.1410     465 -38.1713
     466 -38.4872     467 -38.0283     468 -38.2805     469 -39.0034     470 -38.7631
     471 -38.7035     472 -38.8345     473 -38.4816     474 -38.3666     475 -38.1147
     476 -38.0049     477 -38.2900     478 -38.0704     479 -38.1426     480 -37.9634
     481 -38.8995     482 -38.7802     483 -38.8671     484 -38.9101     485 -38.8944
     486 -38.8003     487 -38.1835     488 -38.1202     489 -38.0936     490 -38.3677
     491 -38.1572     492 -38.2414     493 -38.8672     494 -38.6251     495 -38.7297
     496 -38.7677     497 -38.5972     498 -38.5087     499 -38.0694     500 -37.8774
     501 -38.2038     502 -38.0966     503 -38.0808     504 -37.8904     505 -38.2537
     506 -41.0880     507 -71.7824     508 -71.6607     509 -71.5194     510 -71.7555
     511 -71.6663     512 -71.7183     513 -71.5227     514 -71.7554     515 -71.6875
     516 -71.5334     517 -71.4507     518 -71.4358     519 -71.6604     520 -71.6933
     521 -71.6986     522 -71.5551     523 -71.6487     524 -71.5548     525 -71.6763
     526 -71.5141     527 -71.7167     528 -71.6114     529 -71.2906     530 -71.5352
     531 -76.9031     532 -76.6781     533 -76.7259     534 -76.6218     535 -76.7156
     536 -76.5216     537 -76.8245     538 -76.6877     539 -76.6567     540 -76.4319
     541 -76.8014     542 -76.6657     543 -76.6441     544 -76.4653     545 -76.8283
     546 -76.6720     547 -76.8073     548 -76.6832     549 -76.5812     550 -76.5003
     551 -76.5211     552 -76.4461     553 -76.8095     554 -76.8944     555 -76.7122
     556 -76.6974     557 -76.8221     558 -76.6820     559 -76.8679     560 -76.6448
     561 -76.6675     562 -76.5413     563 -76.8018     564 -76.5848     565 -76.6530
     566 -76.5465     567 -76.8047     568 -76.7508     569 -76.5101     570 -76.8241
     571 -76.8342     572 -76.6500     573 -76.6857     574 -76.6044     575 -76.5383
     576 -76.5197     577 -76.6960     578 -76.5923     579 -82.3536     580 -82.4537
     581 -82.4998     582 -82.2921     583 -82.3636     584 -82.3470     585 -82.5650
     586 -82.6035     587 -82.4746     588 -82.2505     589 -82.1986     590 -82.3542
     591 -82.4267     592 -82.3119     593 -82.4872     594 -82.6107     595 -82.7480
     596 -82.6606     597 -82.5890     598 -82.4814     599 -82.4707     600 -82.4215
     601 -82.1077     602 -82.0142     603 -82.6594     604 -82.5072     605 -82.6902
     606 -82.4419     607 -82.4725     608 -82.6695     609 -82.6832     610 -82.3057
     611 -82.5008     612 -82.4087     613 -82.3523     614 -82.3207     615 -82.6640
     616 -82.5210     617 -82.5132     618 -82.7828     619 -82.9669     620 -82.6387
     621 -82.2716     622 -82.3518     623 -82.6885     624 -82.3115     625 -82.4966
     626 -82.3493     627 -82.1994     628 -82.3777     629 -82.4430     630 -82.5748
     631 -82.3073     632 -82.5473     633 -82.3984     634 -82.5947     635 -82.3899
     636 -82.2346     637 -82.3710     638 -82.2642     639 -82.3209     640 -82.3025
     641 -82.3583     642 -82.4355     643 -82.5530     644 -82.4731     645 -82.4100
     646 -82.5518     647 -82.4688     648 -82.3238     649 -82.3708     650 -82.3300
 
 
 
 E-fermi :  -1.4516     XC(G=0):  -6.4420     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.3135      2.00000
      2     -29.1692      2.00000
      3     -29.1482      2.00000
      4     -29.0967      2.00000
      5     -29.0555      2.00000
      6     -29.0387      2.00000
      7     -29.0234      2.00000
      8     -28.9666      2.00000
      9     -28.9655      2.00000
     10     -28.9552      2.00000
     11     -28.9294      2.00000
     12     -28.8815      2.00000
     13     -28.8625      2.00000
     14     -28.8402      2.00000
     15     -28.8054      2.00000
     16     -28.7892      2.00000
     17     -28.7552      2.00000
     18     -28.7469      2.00000
     19     -28.6563      2.00000
     20     -28.6408      2.00000
     21     -28.6276      2.00000
     22     -28.6097      2.00000
     23     -28.5618      2.00000
     24     -28.5011      2.00000
     25     -27.0053      2.00000
     26     -26.9106      2.00000
     27     -26.8231      2.00000
     28     -26.8084      2.00000
     29     -26.8022      2.00000
     30     -26.7908      2.00000
     31     -26.7827      2.00000
     32     -26.7498      2.00000
     33     -26.7263      2.00000
     34     -26.6769      2.00000
     35     -26.6545      2.00000
     36     -26.6502      2.00000
     37     -26.6468      2.00000
     38     -26.6435      2.00000
     39     -26.6305      2.00000
     40     -26.6303      2.00000
     41     -26.6202      2.00000
     42     -26.6165      2.00000
     43     -26.5890      2.00000
     44     -26.5607      2.00000
     45     -26.5577      2.00000
     46     -26.5524      2.00000
     47     -26.5420      2.00000
     48     -26.5122      2.00000
     49     -26.5100      2.00000
     50     -26.4884      2.00000
     51     -26.4872      2.00000
     52     -26.4811      2.00000
     53     -26.4751      2.00000
     54     -26.4311      2.00000
     55     -26.4201      2.00000
     56     -26.4084      2.00000
     57     -26.3986      2.00000
     58     -26.3903      2.00000
     59     -26.3890      2.00000
     60     -26.3865      2.00000
     61     -26.3625      2.00000
     62     -26.3578      2.00000
     63     -26.3508      2.00000
     64     -26.3492      2.00000
     65     -26.3475      2.00000
     66     -26.3301      2.00000
     67     -26.2823      2.00000
     68     -26.2789      2.00000
     69     -26.2633      2.00000
     70     -26.2559      2.00000
     71     -26.2187      2.00000
     72     -25.9543      2.00000
     73     -23.4759      2.00000
     74     -23.2306      2.00000
     75     -23.1777      2.00000
     76     -23.1704      2.00000
     77     -23.1679      2.00000
     78     -23.1637      2.00000
     79     -23.1558      2.00000
     80     -23.1557      2.00000
     81     -23.1386      2.00000
     82     -23.1331      2.00000
     83     -23.1066      2.00000
     84     -23.0764      2.00000
     85     -23.0549      2.00000
     86     -23.0414      2.00000
     87     -23.0288      2.00000
     88     -23.0282      2.00000
     89     -23.0219      2.00000
     90     -22.9956      2.00000
     91     -22.9793      2.00000
     92     -22.9696      2.00000
     93     -22.9233      2.00000
     94     -22.9166      2.00000
     95     -22.9072      2.00000
     96     -22.8579      2.00000
     97     -22.7928      2.00000
     98     -22.6821      2.00000
     99     -22.6569      2.00000
    100     -22.6566      2.00000
    101     -22.6556      2.00000
    102     -22.6138      2.00000
    103     -22.6115      2.00000
    104     -22.5950      2.00000
    105     -22.5946      2.00000
    106     -22.5706      2.00000
    107     -22.5639      2.00000
    108     -22.5592      2.00000
    109     -22.5524      2.00000
    110     -22.5318      2.00000
    111     -22.5235      2.00000
    112     -22.5024      2.00000
    113     -22.4838      2.00000
    114     -22.4673      2.00000
    115     -22.4580      2.00000
    116     -22.4390      2.00000
    117     -22.3983      2.00000
    118     -22.3942      2.00000
    119     -22.3580      2.00000
    120     -22.1748      2.00000
    121     -20.5477      2.00000
    122     -20.5384      2.00000
    123     -20.5089      2.00000
    124     -20.4752      2.00000
    125     -20.4494      2.00000
    126     -20.4403      2.00000
    127     -20.4210      2.00000
    128     -20.3971      2.00000
    129     -20.3827      2.00000
    130     -20.3741      2.00000
    131     -20.3710      2.00000
    132     -20.3486      2.00000
    133     -20.3146      2.00000
    134     -20.2915      2.00000
    135     -20.2838      2.00000
    136     -20.2669      2.00000
    137     -20.2558      2.00000
    138     -20.2472      2.00000
    139     -20.2458      2.00000
    140     -20.2156      2.00000
    141     -20.2075      2.00000
    142     -20.1851      2.00000
    143     -20.1674      2.00000
    144     -20.1656      2.00000
    145     -18.6654      2.00000
    146     -18.6086      2.00000
    147     -18.5441      2.00000
    148     -18.5398      2.00000
    149     -18.5322      2.00000
    150     -18.5142      2.00000
    151     -18.4987      2.00000
    152     -18.4735      2.00000
    153     -18.4632      2.00000
    154     -18.4256      2.00000
    155     -18.3777      2.00000
    156     -18.3713      2.00000
    157     -18.3259      2.00000
    158     -18.2897      2.00000
    159     -18.2685      2.00000
    160     -18.2675      2.00000
    161     -18.2470      2.00000
    162     -18.2309      2.00000
    163     -18.1981      2.00000
    164     -18.1785      2.00000
    165     -18.1757      2.00000
    166     -18.1555      2.00000
    167     -18.1376      2.00000
    168     -18.0859      2.00000
    169     -17.9875      2.00000
    170     -17.9541      2.00000
    171     -17.9421      2.00000
    172     -17.9150      2.00000
    173     -17.8702      2.00000
    174     -17.8418      2.00000
    175     -17.8237      2.00000
    176     -17.7955      2.00000
    177     -17.7823      2.00000
    178     -17.7730      2.00000
    179     -17.7389      2.00000
    180     -17.7053      2.00000
    181     -17.6513      2.00000
    182     -17.6031      2.00000
    183     -17.5714      2.00000
    184     -17.5707      2.00000
    185     -17.5656      2.00000
    186     -17.5532      2.00000
    187     -17.5323      2.00000
    188     -17.5122      2.00000
    189     -17.5081      2.00000
    190     -17.5029      2.00000
    191     -17.4814      2.00000
    192     -17.4743      2.00000
    193     -16.8086      2.00000
    194     -16.7841      2.00000
    195     -16.7360      2.00000
    196     -16.7230      2.00000
    197     -16.6738      2.00000
    198     -16.6704      2.00000
    199     -16.6560      2.00000
    200     -16.5902      2.00000
    201     -16.5667      2.00000
    202     -16.5440      2.00000
    203     -16.5308      2.00000
    204     -16.5096      2.00000
    205     -16.2317      2.00000
    206     -16.2020      2.00000
    207     -16.1795      2.00000
    208     -16.1690      2.00000
    209     -16.1415      2.00000
    210     -16.1174      2.00000
    211     -16.0999      2.00000
    212     -16.0434      2.00000
    213     -16.0323      2.00000
    214     -16.0008      2.00000
    215     -15.9556      2.00000
    216     -15.8222      2.00000
    217     -15.7757      2.00000
    218     -15.6908      2.00000
    219     -15.6743      2.00000
    220     -15.6672      2.00000
    221     -15.6513      2.00000
    222     -15.6319      2.00000
    223     -15.6274      2.00000
    224     -15.6083      2.00000
    225     -15.5919      2.00000
    226     -15.5640      2.00000
    227     -15.5391      2.00000
    228     -15.5233      2.00000
    229     -15.5197      2.00000
    230     -15.4900      2.00000
    231     -15.4681      2.00000
    232     -15.4600      2.00000
    233     -15.4512      2.00000
    234     -15.4464      2.00000
    235     -15.4380      2.00000
    236     -15.4293      2.00000
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    238     -15.4025      2.00000
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    240     -15.3840      2.00000
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    244     -15.3383      2.00000
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    250     -15.2833      2.00000
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    255     -15.2553      2.00000
    256     -15.2321      2.00000
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    263     -15.1450      2.00000
    264     -15.1330      2.00000
    265     -15.1255      2.00000
    266     -15.1126      2.00000
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    270     -15.0408      2.00000
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    276     -14.8508      2.00000
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    288     -14.3023      2.00000
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    290     -13.5552      2.00000
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    300     -13.4076      2.00000
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   1511       5.6942      0.00000
   1512       5.7070      0.00000
   1513       5.7098      0.00000
   1514       5.7258      0.00000
   1515       5.7332      0.00000
   1516       5.7484      0.00000
   1517       5.7580      0.00000
   1518       5.7621      0.00000
   1519       5.7797      0.00000
   1520       5.7927      0.00000
   1521       5.7983      0.00000
   1522       5.8100      0.00000
   1523       5.8173      0.00000
   1524       5.8285      0.00000
   1525       5.8318      0.00000
   1526       5.8355      0.00000
   1527       5.8455      0.00000
   1528       5.8598      0.00000
   1529       5.8740      0.00000
   1530       5.8859      0.00000
   1531       5.8948      0.00000
   1532       5.9057      0.00000
   1533       5.9137      0.00000
   1534       5.9344      0.00000
   1535       5.9347      0.00000
   1536       5.9384      0.00000
   1537       5.9492      0.00000
   1538       5.9598      0.00000
   1539       5.9763      0.00000
   1540       5.9802      0.00000
   1541       5.9886      0.00000
   1542       5.9924      0.00000
   1543       6.0007      0.00000
   1544       6.0139      0.00000
   1545       6.0158      0.00000
   1546       6.0334      0.00000
   1547       6.0409      0.00000
   1548       6.0472      0.00000
   1549       6.0591      0.00000
   1550       6.0720      0.00000
   1551       6.0837      0.00000
   1552       6.0907      0.00000
   1553       6.0935      0.00000
   1554       6.1046      0.00000
   1555       6.1052      0.00000
   1556       6.1177      0.00000
   1557       6.1212      0.00000
   1558       6.1327      0.00000
   1559       6.1356      0.00000
   1560       6.1456      0.00000
   1561       6.1497      0.00000
   1562       6.1563      0.00000
   1563       6.1788      0.00000
   1564       6.1862      0.00000
   1565       6.1927      0.00000
   1566       6.1983      0.00000
   1567       6.2107      0.00000
   1568       6.2167      0.00000
   1569       6.2231      0.00000
   1570       6.2307      0.00000
   1571       6.2390      0.00000
   1572       6.2456      0.00000
   1573       6.2584      0.00000
   1574       6.2687      0.00000
   1575       6.2761      0.00000
   1576       6.2886      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.087  13.411  -0.001   0.001   0.000   0.003  -0.004   0.000
 13.411  17.830  -0.001   0.002   0.000   0.004  -0.006   0.000
 -0.001  -0.001  -4.232   0.003   0.001   8.276  -0.004  -0.001
  0.001   0.002   0.003  -4.231   0.001  -0.004   8.275  -0.001
  0.000   0.000   0.001   0.001  -4.224  -0.001  -0.001   8.267
  0.003   0.004   8.276  -0.004  -0.001 -18.316   0.007   0.001
 -0.004  -0.006  -0.004   8.275  -0.001   0.007 -18.311   0.001
  0.000   0.000  -0.001  -0.001   8.267   0.001   0.001 -18.306
 total augmentation occupancy for first ion, spin component:           1
  8.552  -3.864   0.130   0.134  -0.051   0.015   0.026  -0.008
 -3.864   1.819  -0.064  -0.093   0.029  -0.006  -0.015   0.004
  0.130  -0.064   1.805  -0.059  -0.037   0.172  -0.011  -0.007
  0.134  -0.093  -0.059   1.905  -0.073  -0.011   0.178  -0.010
 -0.051   0.029  -0.037  -0.073   1.221  -0.007  -0.010   0.081
  0.015  -0.006   0.172  -0.011  -0.007   0.018  -0.002  -0.001
  0.026  -0.015  -0.011   0.178  -0.010  -0.002   0.018  -0.001
 -0.008   0.004  -0.007  -0.010   0.081  -0.001  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -53316.58501105126.37568 30579.00335-12522.80482  6812.46168 23449.12228
  Hartree  2055.56458131956.48125 68846.02445-12836.30575  4736.28434 17913.22631
  E(xc)  -10740.38771-10595.56142-10639.30222     2.48683     8.17482    30.93007
  Local   17856.99059************************ 25350.73819-11572.07545-40802.31107
  n-local -5857.31890 -5982.65018 -6040.79990     5.02532    15.65623   -60.35819
  augment  1490.37659  1537.87864  1486.46095     4.93366    13.19424    -1.44206
  Kinetic 45560.10147 43239.48992 43765.34124   -29.62818   -80.83815  -535.56792
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -43.3996587   -403.4813377    -92.7084879    -25.5547622    -67.1422905     -6.4005763
  in kB       -7.2372405    -67.2837427    -15.4598824     -4.2614612    -11.1965144     -1.0673473
  external PRESSURE =     -29.9936219 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.265E+03 -.123E+03 0.252E+03   0.265E+03 0.124E+03 -.253E+03   -.524E-01 -.487E+00 0.153E+01   -.640E-04 -.260E-04 -.385E-04
   -.220E+03 -.145E+03 0.524E+02   0.220E+03 0.147E+03 -.522E+02   0.249E+00 -.115E+01 -.530E+00   -.464E-04 -.194E-04 -.335E-04
   -.189E+03 -.129E+03 0.454E+01   0.189E+03 0.130E+03 -.309E+01   0.348E+00 -.131E+01 -.170E+01   -.398E-04 -.533E-05 -.584E-04
   -.244E+03 -.107E+03 0.349E+03   0.244E+03 0.107E+03 -.351E+03   -.231E+00 -.829E-01 0.247E+01   -.883E-04 0.894E-05 -.349E-04
   -.196E+03 -.154E+03 0.312E+03   0.196E+03 0.155E+03 -.313E+03   0.248E+00 -.847E+00 0.109E+01   -.764E-04 0.341E-04 -.699E-04
   -.173E+03 -.119E+03 0.172E+03   0.173E+03 0.119E+03 -.172E+03   0.108E+00 0.206E-01 0.102E+00   -.554E-04 0.771E-05 -.546E-04
   -.277E+03 -.133E+03 0.187E+03   0.277E+03 0.137E+03 -.189E+03   0.359E+00 -.456E+01 0.665E+00   -.161E-04 -.468E-04 -.342E-04
   -.200E+03 -.119E+03 0.255E+02   0.200E+03 0.123E+03 -.269E+02   -.436E+00 -.399E+01 0.202E+01   -.140E-04 -.548E-04 -.524E-04
   -.124E+03 0.837E+01 0.203E+03   0.124E+03 -.850E+01 -.203E+03   0.157E+00 -.235E-01 -.301E-01   -.344E-04 0.268E-04 -.549E-04
   -.995E+02 0.897E+02 0.676E+02   0.992E+02 -.910E+02 -.665E+02   0.487E+00 0.139E+01 -.129E+01   -.308E-04 0.293E-04 -.473E-04
   -.111E+03 0.119E+03 0.139E+03   0.111E+03 -.121E+03 -.139E+03   0.237E+00 0.977E+00 -.213E+00   -.450E-04 0.275E-05 -.269E-04
   -.129E+03 0.669E+01 0.340E+03   0.129E+03 -.714E+01 -.341E+03   -.957E-01 0.428E+00 0.119E+01   -.499E-05 0.309E-04 -.120E-03
   -.133E+03 -.288E+02 0.374E+03   0.133E+03 0.296E+02 -.376E+03   -.195E+00 -.900E+00 0.235E+01   -.868E-05 0.104E-04 -.140E-03
   -.136E+03 0.402E+02 0.315E+03   0.136E+03 -.408E+02 -.316E+03   0.138E-01 -.201E-01 0.166E+01   -.500E-04 -.123E-04 -.624E-04
   -.139E+03 0.111E+03 0.282E+03   0.139E+03 -.114E+03 -.285E+03   0.501E+00 0.421E+01 0.216E+01   -.615E-04 -.572E-04 -.284E-04
   -.107E+03 0.130E+03 0.106E+03   0.107E+03 -.133E+03 -.109E+03   0.242E+00 0.302E+01 0.333E+01   -.375E-04 -.252E-05 0.294E-04
   -.104E+03 0.123E+03 0.637E+02   0.105E+03 -.118E+03 -.594E+02   -.609E+00 -.487E+01 -.391E+01   -.313E-04 -.242E-04 0.452E-04
   -.320E+02 0.209E+03 -.153E+03   0.312E+02 -.212E+03 0.155E+03   0.558E+00 0.140E+01 -.209E+01   -.548E-05 -.297E-04 0.590E-04
   0.181E+01 0.154E+03 -.209E+03   -.226E+01 -.154E+03 0.212E+03   0.367E+00 0.136E+00 -.189E+01   0.788E-07 -.459E-04 0.388E-04
   -.902E+02 0.129E+03 0.194E+03   0.911E+02 -.128E+03 -.197E+03   -.999E+00 -.100E+01 0.324E+01   -.312E-04 -.174E-04 0.581E-04
   -.205E+02 0.865E+02 -.678E+01   0.190E+02 -.881E+02 0.819E+01   0.140E+01 0.156E+01 -.964E+00   0.250E-05 0.135E-04 0.410E-04
   -.303E+02 0.159E+02 -.150E+03   0.305E+02 -.159E+02 0.151E+03   -.314E+00 0.304E+00 -.768E+00   0.913E-06 -.139E-04 0.262E-04
   -.654E+02 -.276E+02 -.188E+03   0.657E+02 0.279E+02 0.187E+03   -.342E+00 -.555E+00 0.641E+00   0.250E-04 -.364E-05 0.102E-04
   -.598E+02 -.707E+02 -.246E+03   0.610E+02 0.724E+02 0.245E+03   -.116E+01 -.164E+01 0.112E+01   0.470E-04 -.227E-04 0.201E-04
   -.369E+02 -.155E+03 -.357E+03   0.365E+02 0.156E+03 0.359E+03   0.526E+00 -.414E+00 -.197E+01   0.569E-04 -.590E-04 0.289E-04
   -.126E+03 -.171E+03 -.171E+03   0.127E+03 0.171E+03 0.169E+03   -.696E+00 -.548E+00 0.186E+01   0.531E-04 0.213E-04 -.138E-04
   -.102E+03 -.292E+03 -.207E+03   0.102E+03 0.293E+03 0.206E+03   -.136E+00 -.889E+00 0.247E+00   0.698E-04 -.149E-04 -.510E-04
   -.568E+02 -.264E+03 -.315E+03   0.567E+02 0.265E+03 0.316E+03   0.236E-01 -.118E+01 -.569E+00   0.694E-04 -.871E-04 -.311E-04
   -.527E+02 -.161E+02 -.236E+03   0.583E+02 0.243E+02 0.231E+03   -.558E+01 -.788E+01 0.512E+01   0.101E-03 -.345E-04 0.384E-04
   -.262E+02 0.490E+02 0.369E+02   0.208E+02 -.577E+02 -.320E+02   0.501E+01 0.885E+01 -.446E+01   0.113E-03 -.143E-04 0.185E-03
   -.222E+03 -.302E+02 -.460E+02   0.222E+03 0.307E+02 0.478E+02   -.177E-01 -.111E+00 -.173E+01   0.941E-05 -.268E-04 -.481E-04
   -.155E+03 -.155E+03 0.131E+03   0.155E+03 0.157E+03 -.130E+03   0.618E-02 -.135E+01 -.221E+00   0.299E-04 0.799E-05 -.429E-04
   -.172E+03 -.155E+03 0.169E+03   0.171E+03 0.156E+03 -.170E+03   0.130E+00 -.174E+01 0.103E+01   0.124E-04 0.143E-04 -.413E-04
   -.328E+03 0.784E+01 -.165E+03   0.328E+03 -.980E+01 0.168E+03   0.408E+00 0.187E+01 -.306E+01   -.586E-04 -.840E-05 -.765E-04
   -.313E+03 -.725E+02 -.196E+03   0.312E+03 0.728E+02 0.197E+03   0.343E+00 -.742E-01 -.137E+01   -.868E-04 0.230E-04 -.975E-04
   -.239E+03 -.712E+02 -.172E+02   0.238E+03 0.711E+02 0.174E+02   0.275E+00 0.238E+00 -.447E-01   -.292E-04 0.445E-04 -.579E-04
   -.120E+03 -.535E+02 -.174E+01   0.120E+03 0.574E+02 0.434E+01   -.510E+00 -.420E+01 -.254E+01   0.248E-04 -.759E-04 -.116E-04
   -.723E+02 -.145E+03 0.117E+03   0.726E+02 0.148E+03 -.114E+03   -.219E+00 -.306E+01 -.387E+01   0.278E-04 -.766E-05 -.626E-04
   -.208E+03 0.492E+02 -.264E+02   0.208E+03 -.496E+02 0.265E+02   0.133E+00 0.191E+00 -.544E-01   -.306E-04 0.761E-04 -.359E-04
   -.120E+03 0.630E+02 0.180E+03   0.120E+03 -.641E+02 -.182E+03   0.247E+00 0.121E+01 0.186E+01   -.108E-04 0.495E-04 -.968E-05
   -.843E+02 0.892E+02 0.100E+03   0.844E+02 -.907E+02 -.101E+03   -.332E+00 0.137E+01 0.443E+00   -.665E-05 0.107E-04 -.135E-05
   -.237E+03 0.863E+02 -.238E+03   0.237E+03 -.873E+02 0.239E+03   -.242E-01 0.984E+00 -.103E+01   -.584E-04 0.102E-03 -.533E-04
   -.192E+03 0.411E+02 -.309E+03   0.192E+03 -.412E+02 0.311E+03   0.244E+00 0.187E+00 -.235E+01   -.236E-04 0.600E-04 -.228E-04
   -.115E+03 0.684E+02 -.166E+03   0.115E+03 -.698E+02 0.168E+03   0.884E-01 0.837E+00 -.144E+01   0.227E-05 0.135E-04 -.411E-05
   -.576E+02 0.104E+03 -.108E+03   0.572E+02 -.108E+03 0.109E+03   0.402E+00 0.489E+01 -.365E+00   0.986E-05 -.295E-04 -.172E-04
   -.162E+02 0.889E+02 0.132E+03   0.158E+02 -.935E+02 -.130E+03   0.578E+00 0.427E+01 -.199E+01   -.223E-04 -.928E-05 0.324E-04
   0.377E+02 0.563E+02 0.965E+02   -.362E+02 -.502E+02 -.983E+02   -.118E+01 -.577E+01 0.172E+01   -.129E-04 -.490E-04 0.250E-04
   0.119E+01 0.137E+03 0.279E+03   -.161E+00 -.138E+03 -.281E+03   -.102E+01 0.113E+01 0.238E+01   -.135E-04 -.389E-04 0.134E-04
   -.349E+02 0.132E+03 0.246E+03   0.361E+02 -.132E+03 -.248E+03   -.113E+01 -.247E+00 0.172E+01   -.762E-05 -.841E-05 0.310E-04
   0.430E+02 0.832E+02 -.631E+02   -.438E+02 -.834E+02 0.665E+02   0.571E+00 0.143E+00 -.356E+01   -.686E-05 -.655E-05 0.194E-04
   0.762E+01 0.362E+02 0.225E+02   -.701E+01 -.374E+02 -.247E+02   -.445E+00 0.104E+01 0.190E+01   -.175E-05 0.178E-04 0.272E-04
   -.675E+01 0.186E+02 0.905E+02   0.721E+01 -.182E+02 -.914E+02   -.348E+00 -.299E+00 0.844E+00   0.744E-05 0.356E-04 0.381E-04
   -.970E+02 -.227E+01 0.458E+02   0.969E+02 0.221E+01 -.452E+02   0.615E-02 -.887E-02 -.674E+00   0.178E-04 0.670E-04 0.175E-04
   -.198E+03 -.193E+02 0.106E+03   0.198E+03 0.202E+02 -.104E+03   0.736E+00 -.955E+00 -.170E+01   0.571E-04 0.747E-04 -.291E-04
   -.277E+03 -.783E+02 0.180E+03   0.278E+03 0.785E+02 -.183E+03   -.121E+01 -.164E+00 0.334E+01   0.859E-04 0.291E-04 -.604E-04
   -.997E+02 -.126E+03 -.126E+03   0.991E+02 0.125E+03 0.128E+03   0.463E+00 0.421E+00 -.180E+01   0.112E-04 0.500E-04 0.212E-04
   -.137E+03 -.134E+03 -.165E+03   0.136E+03 0.135E+03 0.168E+03   0.382E+00 -.847E+00 -.278E+01   0.168E-04 0.209E-04 0.193E-04
   -.210E+03 -.608E+02 0.384E+02   0.209E+03 0.544E+02 -.365E+02   0.115E+01 0.626E+01 -.174E+01   0.268E-04 0.248E-04 -.130E-04
   -.231E+03 0.180E+02 0.158E+03   0.229E+03 -.119E+02 -.150E+03   0.229E+01 -.610E+01 -.865E+01   0.124E-03 0.133E-03 -.139E-03
   -.527E+02 0.795E+01 -.673E+02   0.548E+02 -.149E+02 0.591E+02   -.230E+01 0.689E+01 0.837E+01   -.683E-04 0.149E-06 -.326E-04
   -.395E+03 -.790E+02 0.852E+02   0.395E+03 0.802E+02 -.866E+02   -.493E-02 -.586E+00 0.156E+01   -.632E-04 0.968E-04 0.768E-04
   -.392E+03 -.109E+03 -.884E+02   0.392E+03 0.111E+03 0.886E+02   0.834E-01 -.128E+01 -.592E+00   0.427E-04 0.342E-04 0.556E-04
   -.354E+03 -.909E+02 -.128E+03   0.354E+03 0.917E+02 0.129E+03   0.135E+00 -.143E+01 -.179E+01   0.160E-03 0.500E-05 0.133E-04
   -.329E+03 -.653E+02 0.167E+03   0.329E+03 0.653E+02 -.169E+03   -.742E-01 -.197E+00 0.224E+01   -.442E-04 0.663E-04 0.970E-04
   -.275E+03 -.116E+03 0.130E+03   0.275E+03 0.116E+03 -.131E+03   0.232E+00 -.887E+00 0.120E+01   0.763E-04 0.946E-05 0.702E-04
   -.298E+03 -.853E+02 0.585E+01   0.298E+03 0.856E+02 -.601E+01   -.130E+00 0.782E-01 0.956E-01   0.164E-03 -.268E-04 0.425E-04
   -.416E+03 -.960E+02 0.176E+02   0.416E+03 0.988E+02 -.205E+02   0.104E+00 -.467E+01 0.548E+00   -.216E-03 0.131E-03 0.205E-03
   -.396E+03 -.871E+02 -.614E+02   0.397E+03 0.911E+02 0.611E+02   -.705E+00 -.398E+01 0.237E+01   -.523E-05 -.214E-04 0.242E-04
   -.244E+03 0.442E+02 0.316E+02   0.244E+03 -.443E+02 -.317E+02   0.282E-01 -.229E-01 0.238E-01   0.204E-03 -.163E-04 0.314E-04
   -.268E+03 0.119E+03 -.630E+02   0.268E+03 -.121E+03 0.641E+02   0.294E+00 0.158E+01 -.133E+01   0.209E-03 -.211E-04 -.239E-05
   -.274E+03 0.141E+03 0.493E+01   0.274E+03 -.142E+03 -.521E+01   0.158E+00 0.126E+01 -.150E+00   0.172E-03 -.331E-04 -.104E-04
   -.192E+03 0.436E+02 0.133E+03   0.192E+03 -.440E+02 -.134E+03   -.918E-01 0.317E+00 0.129E+01   0.179E-03 -.211E-04 0.547E-04
   -.192E+03 -.911E+01 0.144E+03   0.193E+03 0.101E+02 -.147E+03   -.220E+00 -.109E+01 0.250E+01   0.148E-03 -.226E-04 0.522E-04
   -.254E+03 0.456E+02 0.128E+03   0.254E+03 -.462E+02 -.130E+03   -.611E-01 0.175E+00 0.157E+01   0.149E-03 -.194E-04 0.761E-05
   -.278E+03 0.931E+02 0.118E+03   0.278E+03 -.965E+02 -.121E+03   0.257E+00 0.423E+01 0.218E+01   0.131E-03 0.104E-04 0.603E-05
   -.301E+03 0.148E+03 0.667E+02   0.300E+03 -.152E+03 -.695E+02   0.539E-01 0.321E+01 0.342E+01   0.137E-03 -.179E-04 -.116E-04
   -.301E+03 0.108E+03 0.103E+03   0.301E+03 -.104E+03 -.988E+02   -.397E-01 -.492E+01 -.383E+01   0.112E-03 0.407E-04 -.573E-04
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   0.982E+03 0.128E+03 -.119E+03   -.103E+04 -.137E+03 0.973E+02   0.505E+02 0.922E+01 0.218E+02   -.647E-03 0.147E-03 -.498E-06
   -.437E+03 0.476E+02 -.397E+03   0.469E+03 -.481E+02 0.439E+03   -.321E+02 0.416E+00 -.419E+02   0.422E-04 0.266E-03 0.201E-03
   0.423E+02 0.544E+03 -.887E+02   -.510E+02 -.594E+03 0.876E+02   0.883E+01 0.512E+02 0.126E+01   0.131E-04 0.233E-03 -.139E-03
   -.231E+03 -.953E+02 0.186E+03   0.256E+03 0.105E+03 -.232E+03   -.242E+02 -.964E+01 0.458E+02   -.757E-04 0.173E-03 -.729E-04
   -.355E+03 -.327E+03 0.129E+03   0.377E+03 0.354E+03 -.166E+03   -.217E+02 -.268E+02 0.365E+02   0.596E-04 0.143E-03 -.154E-03
   0.170E+03 -.512E+03 -.254E+03   -.191E+03 0.547E+03 0.291E+03   0.207E+02 -.349E+02 -.369E+02   0.146E-03 0.116E-03 -.158E-03
   -.387E+03 -.117E+03 -.389E+02   0.428E+03 0.964E+02 0.652E+02   -.410E+02 0.209E+02 -.266E+02   -.966E-04 0.968E-04 -.214E-03
   0.898E+03 -.437E+02 -.182E+03   -.942E+03 0.667E+02 0.163E+03   0.434E+02 -.232E+02 0.197E+02   -.568E-03 0.826E-04 0.281E-03
   0.476E+03 0.431E+03 0.385E+02   -.460E+03 -.458E+03 -.806E+02   -.170E+02 0.270E+02 0.420E+02   -.180E-03 0.312E-04 0.157E-03
   0.789E+03 0.312E+03 -.407E+03   -.809E+03 -.346E+03 0.444E+03   0.196E+02 0.335E+02 -.369E+02   -.479E-03 0.121E-03 0.298E-03
   0.416E+03 -.828E+02 -.615E+03   -.447E+03 0.983E+02 0.656E+03   0.307E+02 -.154E+02 -.410E+02   -.668E-04 -.117E-03 0.122E-03
   0.481E+02 -.375E+03 -.650E+02   -.175E+02 0.415E+03 0.508E+02   -.308E+02 -.396E+02 0.143E+02   -.785E-04 -.237E-04 0.103E-03
   0.283E+03 0.161E+03 0.108E+03   -.317E+03 -.166E+03 -.150E+03   0.333E+02 0.516E+01 0.422E+02   -.505E-04 -.801E-04 0.105E-03
   -.247E+03 -.160E+03 -.377E+03   0.287E+03 0.167E+03 0.412E+03   -.390E+02 -.737E+01 -.350E+02   0.216E-03 0.420E-04 0.134E-03
   0.271E+03 0.350E+03 -.193E+03   -.289E+03 -.397E+03 0.209E+03   0.181E+02 0.467E+02 -.169E+02   0.163E-03 0.113E-03 0.259E-04
   -.741E+02 -.731E+01 0.130E+03   0.983E+02 -.345E+01 -.176E+03   -.242E+02 0.109E+02 0.466E+02   0.138E-03 0.320E-04 -.636E-04
   -.291E+03 -.412E+03 0.419E+03   0.321E+03 0.442E+03 -.451E+03   -.297E+02 -.299E+02 0.320E+02   0.992E-04 0.342E-05 -.169E-04
   0.173E+03 -.503E+03 -.109E+03   -.200E+03 0.533E+03 0.142E+03   0.272E+02 -.299E+02 -.336E+02   0.135E-03 -.441E-04 -.116E-03
   -.262E+03 -.126E+03 -.115E+02   0.296E+03 0.102E+03 0.439E+02   -.340E+02 0.240E+02 -.327E+02   0.358E-04 -.188E-04 -.106E-03
   -.250E+02 -.139E+03 0.853E+03   -.343E+01 0.165E+03 -.892E+03   0.286E+02 -.258E+02 0.385E+02   -.138E-04 0.250E-03 -.158E-03
   -.215E+03 0.204E+03 0.659E+03   0.253E+03 -.230E+03 -.686E+03   -.371E+02 0.258E+02 0.274E+02   0.217E-04 0.106E-03 -.644E-05
   0.932E+02 0.414E+03 0.298E+03   -.127E+03 -.447E+03 -.279E+03   0.339E+02 0.324E+02 -.196E+02   0.787E-05 0.136E-03 0.103E-03
 -----------------------------------------------------------------------------------------------
   0.149E+02 0.775E+01 0.952E+01   0.661E-11 -.296E-11 -.563E-11   -.149E+02 -.776E+01 -.952E+01   -.373E-02 0.297E-02 0.442E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.96598      3.15315      1.40510        -0.030842      0.528736      0.123485
     12.76468      3.57447      2.71812         0.103952      0.239414     -0.316803
     12.72258      4.95038      3.03758         0.065358     -0.233331     -0.249137
     12.99267      4.07913      0.36775        -0.030554     -0.121707      0.029258
     12.92667      5.43714      0.67694         0.029542      0.000524      0.047656
     12.84838      5.92721      2.00754         0.061876      0.230907     -0.059861
     13.08176      1.68769      1.37339         0.199855     -0.687045     -1.035992
     12.59136      2.32835      3.53609        -0.168097      0.228295      0.644186
     12.94565      7.43346      2.24624         0.147097     -0.146730     -0.289714
     12.91559      8.04279      3.52912         0.168597      0.095402     -0.237672
     13.22582      9.40501      3.66806        -0.015136     -0.137340     -0.353942
     13.17574      8.30726      1.14082         0.042127     -0.018901      0.034114
     13.39523      9.68307      1.28061        -0.109406     -0.021193     -0.035812
     13.44067     10.22293      2.56153         0.032988     -0.590148      0.058757
     13.66462     11.60087      3.01906         0.158466      1.521699     -0.695438
     13.37702     10.25069      4.88355        -0.252552     -0.269409      0.500542
     13.73293     12.74223      5.30653        -0.112908      0.083309      0.435085
     13.41757     12.65897      6.66936        -0.204115     -0.697505     -0.064945
     13.42417     13.76103      7.51262        -0.081307      0.036664      0.297376
     14.03538     14.03545      4.85991        -0.061695     -0.374390      0.095504
     14.03787     15.13865      5.72572        -0.067691     -0.054110      0.452474
     13.77234     15.07146      7.14063        -0.136276      0.272859      0.303791
     13.81440     16.21475      8.21503        -0.014192     -0.341807     -0.119080
     13.26668     16.15409      9.55614        -0.017136      0.079508     -0.078635
     13.36245     17.25510     10.43350         0.093965      0.052649     -0.113591
     14.38961     17.48110      7.93339         0.128135     -0.313967     -0.061748
     14.39864     18.58622      8.78006         0.138635     -0.013685     -0.073861
     13.91350     18.47841     10.06935        -0.011812     -0.074986      0.109603
     12.49745     15.01387     10.20173         0.033435      0.294304      0.233612
     14.56891     16.35894      5.06483        -0.340980      0.129611      0.406186
      9.66970      3.85728      4.79376         0.165525      0.353715      0.144793
      9.76782      4.78985      3.77469        -0.024469      0.083499      0.160500
      9.92001      6.15142      4.08743        -0.031617     -0.172281      0.099014
      9.69482      4.23863      6.12945         0.145861     -0.081472     -0.295773
      9.76008      5.58629      6.44714         0.165211      0.168387     -0.098999
      9.90453      6.58101      5.44091        -0.004023      0.121981      0.170200
      9.47782      2.51363      4.24234         0.089574     -0.278849      0.055858
      9.69330      4.03828      2.48146         0.077340      0.118289     -0.601773
     10.01334      8.03331      5.83228        -0.027235     -0.173100      0.031881
     10.19748      9.04321      4.85873        -0.002660      0.148830      0.105452
     10.27469     10.37845      5.24603        -0.238442     -0.111857      0.198433
      9.90726      8.44809      7.18991         0.049735      0.008833     -0.222562
      9.98280      9.79196      7.57329         0.185913      0.063715     -0.198942
     10.16483     10.75578      6.58219         0.108569     -0.503961     -0.200884
     10.27999     12.21373      6.66128         0.021077      0.930896      1.220018
     10.42447     11.61930      4.43593         0.156688     -0.322255     -0.620778
     10.79450     14.07883      4.99731         0.252944      0.338607     -0.076182
     11.31253     14.41615      3.74461         0.015952     -0.167217     -0.249999
     11.72368     15.71306      3.44589         0.034022      0.256885     -0.172367
     10.75650     15.14192      5.92026        -0.152929     -0.117190     -0.185178
     11.05896     16.48262      5.57966         0.169475     -0.188070     -0.269779
     11.57656     16.85114      4.26636         0.113408      0.061842     -0.093335
     12.03445     18.24935      3.73647        -0.075601     -0.069820     -0.062719
     12.54103     18.65082      2.42611         0.054827      0.011678      0.170871
     12.76271     20.00928      2.10336         0.121831     -0.003956      0.043542
     11.93257     19.35420      4.60340        -0.172743     -0.287665      0.151989
     12.17366     20.68148      4.29010        -0.105467      0.441434      0.007618
     12.56870     21.06494      3.00910         0.075957     -0.106324      0.167381
     12.90561     17.76131      1.22891        -0.030190      0.014441     -0.050717
     10.80796     17.41372      6.74905        -0.202742     -0.109351      0.181786
     10.28987      7.11319     14.62062        -0.006618      0.626351      0.210398
     10.16248      7.54081     15.94178         0.111397      0.506154     -0.373505
     10.16642      8.92963     16.26316         0.067962     -0.635848     -0.186470
     10.29770      8.06971     13.59378         0.022813     -0.180753      0.085256
     10.27912      9.43561     13.90583         0.058640     -0.208164      0.420774
     10.27446      9.92016     15.24787        -0.048132      0.347749     -0.061834
     10.31540      5.63195     14.61662         0.555488     -1.843879     -2.372449
      9.94554      6.30226     16.76147        -0.134471      0.089844      2.067923
     10.34490     11.44351     15.52420         0.126069     -0.151029     -0.091273
     10.29760     12.02320     16.83220         0.218289      0.076006     -0.244093
     10.49946     13.41058     17.01722         0.049649     -0.188187     -0.423083
     10.51208     12.36179     14.43945         0.050561     -0.088503      0.170460
     10.67072     13.74353     14.62485        -0.097141     -0.064638      0.035835
     10.68354     14.25523     15.92237         0.014585     -0.437360     -0.033051
     10.81124     15.65253     16.38907         0.093268      0.852739     -0.689361
     10.52035     14.27980     18.24450        -0.082162     -0.495424      0.558421
     10.66413     16.84371     18.64441        -0.084465      0.021841      0.093834
     10.20180     16.78891     19.95899        -0.160081     -0.417481     -0.043035
      9.99222     17.93003     20.72978        -0.192058      0.143679      0.280375
     10.96544     18.15136     18.19337         0.014315     -0.306788      0.140187
     10.88227     19.28420     19.03216         0.077362     -0.023687      0.397775
     10.37388     19.24479     20.39351        -0.138634      0.116729      0.219189
     10.17621     20.40350      0.18020         0.068411     -0.174001     -0.185867
      9.62966     20.31746      1.52819         0.147405     -0.092967     -0.081252
      9.50459      0.19369      2.35619        -0.194266      0.053336     -0.220451
     10.54891      0.48591     21.14881        -0.072232     -0.021830      0.117066
     10.20409      1.62486      0.62777         0.319070      0.243995     -0.063849
      9.70186      1.51413      1.92278         0.018285     -0.172833     -0.111604
      9.08257     19.08981      2.26529         0.305361      0.242824      0.173751
     11.38452     20.54451     18.38210        -0.037316      0.015461      0.154546
      7.04871      7.64446     17.50759         0.311922      0.468779      0.007285
      7.12089      8.59376     16.49746        -0.081655     -0.012549     -0.012173
      7.24871      9.95908     16.79985         0.078222     -0.057842     -0.001691
      7.13717      8.02778     18.84473         0.215413     -0.131457     -0.212282
      7.17701      9.38651     19.15351         0.142361      0.145391     -0.049345
      7.23307     10.39927     18.15082         0.072387      0.051626     -0.043073
      6.80191      6.32161     16.91269         0.173601     -1.089204      0.783902
      7.01891      7.84955     15.19189         0.379592      0.435078     -0.582256
      7.26619     11.86786     18.53611        -0.082953     -0.269163      0.019949
      7.41568     12.93655     17.61126        -0.095297      0.238410      0.085820
      7.36309     14.26847     18.05795        -0.185769     -0.303172      0.139287
      7.12575     12.22117     19.89918         0.075025     -0.004430     -0.188059
      7.12233     13.54217     20.34167         0.184685      0.146585     -0.125397
      7.20023     14.57040     19.40792         0.108729     -0.493377     -0.203203
      7.20098     16.02781     19.57543        -0.104930      0.822247      1.269976
      7.49214     15.56910     17.33512         0.088528     -0.183835     -0.861339
      7.59554     18.02569     18.05582         0.236904      0.330682     -0.112851
      8.29282     18.44282     16.91793         0.005734     -0.359271     -0.205261
      8.62833     19.77201     16.70919         0.121689      0.216589     -0.169307
      7.29249     19.06336     18.96312        -0.223686     -0.127216     -0.125771
      7.45275     20.43446     18.62817         0.196164     -0.137535     -0.010354
      8.16827     20.87373     17.44985         0.202848     -0.022480     -0.192561
      8.62822      1.01298     16.96363         0.042893      0.195060      0.080521
      9.15208      1.34424     15.64896         0.132065      0.203351      0.282940
      9.54402      2.67564     15.33396         0.204867      0.371476      0.008676
      8.64870      2.13765     17.83811        -0.209727     -0.423156     -0.043226
      9.07794      3.42633     17.52473         0.050578      0.414657      0.062799
      9.53676      3.76015     16.24312         0.275922     -0.072490     -0.038723
      9.52849      0.42707     14.46599         0.264604     -1.099841     -0.536775
      6.91309      0.10272     19.68642        -0.345724     -0.181635     -0.033336
      6.96835     10.86385      6.11569         0.030347      0.499804      0.119815
      6.80336     11.31999      7.41976         0.116047      0.176777     -0.274175
      6.91860     12.68518      7.73229        -0.051611     -0.186300     -0.033206
      7.29708     11.74930      5.09278        -0.111104     -0.146471      0.135111
      7.42137     13.10286      5.40436        -0.149374      0.102541      0.139569
      7.21116     13.62830      6.71125        -0.094914      0.147874     -0.036664
      6.92068      9.39716      6.10945         0.012510     -0.459462     -0.524542
      6.65915     10.10533      8.28024        -0.031868      0.143663      0.765015
      7.30982     15.12675      6.94614        -0.085882     -0.019063     -0.073671
      7.09328     15.76786      8.19564         0.044392      0.083200     -0.000948
      7.21572     17.16881      8.31350         0.051070     -0.128113     -0.327180
      7.64506     15.97845      5.85585        -0.144057     -0.144266      0.078185
      7.66755     17.36528      5.95516        -0.095535      0.103174      0.150940
      7.45883     17.96649      7.20244        -0.089539     -0.466171      0.010996
      7.68205     19.36401      7.64773         0.074366      0.618758     -0.332328
      7.28606     18.06098      9.51065        -0.098145     -0.467988      1.087675
      7.62151     20.58327      9.91384        -0.204015      0.227088      0.414264
      7.14110     20.56516     11.23380         0.005186     -0.427105     -0.152545
      6.97432      0.45611     12.00392         0.133224      0.325161      0.201236
      8.01131      0.61295      9.50753         0.093226     -0.332056     -0.169935
      8.05876      1.72349     10.38972        -0.000982      0.120668      0.077540
      7.50124      1.74742     11.71455         0.053628      0.031364      0.289740
      7.43525      2.95134     12.76205        -0.208906     -0.350054      0.402333
      6.88615      2.88006     14.12667         0.529404      0.381183     -0.675914
      6.76459      4.02096     14.95977        -0.107964     -0.164449     -0.483142
      7.89010      4.27904     12.51179        -0.150854      0.033472      0.058025
      7.64483      5.42320     13.30186         0.168547      0.093974      0.176690
      7.07405      5.33568     14.57837         0.080291     -0.285538     -0.234649
      6.22957      1.68417     14.77417        -0.448939      0.126734      0.459957
      8.77205      2.89665      9.78723        -0.135792     -0.332081      0.070470
      4.06355     11.49417     10.75318         0.091832      0.341509     -0.212869
      3.79377     12.36466      9.70095         0.198018     -0.026931      0.193196
      3.84217     13.74532      9.87312         0.175156      0.033253      0.037533
      4.40049     11.98535     12.00758         0.064615      0.069258     -0.274055
      4.45049     13.37076     12.18873         0.102049      0.159363     -0.158789
      4.18530     14.29216     11.13449         0.131071      0.149971      0.041463
      3.84283     10.11464     10.29515         0.173918     -0.781603      0.494766
      3.41376     11.54837      8.52032        -0.057697      0.273249     -0.627367
      4.28008     15.79041     11.34678         0.039700     -0.189716     -0.005651
      4.07886     16.73175     10.30239        -0.062556      0.294037      0.024920
      4.12812     18.11424     10.57465         0.028057     -0.088088      0.029494
      4.64220     16.30032     12.61877         0.012640     -0.094028     -0.267720
      4.76347     17.66369     12.86753         0.049739      0.067424     -0.150388
      4.41063     18.56124     11.85980         0.097340     -0.069681     -0.099459
      4.32576     20.04154     11.89375         0.062332     -1.482953     -2.102356
      4.12627     19.34445      9.68394        -0.043706     -0.144264      1.073532
      4.42679      0.64037     10.14898        -0.030025      0.123922     -0.188637
      4.80081      0.97351      8.84415        -0.018271     -0.338668     -0.207628
      5.19360      2.26429      8.48485         0.180263      0.128656     -0.012921
      4.36705      1.75934     11.00574        -0.070436      0.118743     -0.161766
      4.70837      3.10440     10.63413         0.236489     -0.344607     -0.213348
      5.29390      3.40535      9.32780         0.127542      0.112479     -0.248522
      5.92983      4.78382      8.73674        -0.144531     -0.037993      0.343785
      6.46523      5.09601      7.42542        -0.242035     -0.042033      0.100439
      6.72087      6.43402      6.99214        -0.023856      0.107963      0.251350
      5.88222      5.95479      9.51910        -0.232594     -0.657532      0.578180
      6.17009      7.24385      9.13090         0.163474      0.898877      0.256646
      6.54091      7.56139      7.82644         0.174008     -0.344596      0.101162
      6.55820      4.05483      6.32392         0.124756      0.035684      0.122484
      4.44561      4.04143     11.81951        -0.086772     -0.123322      0.146947
      1.07849     14.30652      0.81504         0.032765      0.256238      0.282284
      1.66570     14.72878      2.00909        -0.124914      0.017067     -0.325275
      1.66323     16.11678      2.33521        -0.133788     -0.289715     -0.284663
      0.63983     15.20999     21.11205         0.048945     -0.436625     -0.110485
      0.71130     16.55763      0.13702        -0.043372      0.252140      0.246215
      1.12913     17.06479      1.39426        -0.084915      0.022496      0.225693
      1.06006     12.83631      0.75469        -0.249356     -0.068953     -0.268488
      2.28361     13.45662      2.59915         0.755886      0.090852      1.342334
      0.98099     18.57223      1.60142         0.126979     -0.302908     -0.012899
      1.34189     19.26218      2.78826        -0.041002      0.146533     -0.202414
      1.17529     20.65558      2.84392        -0.060881     -0.180318     -0.190587
      0.49557     19.36715      0.51910         0.058554     -0.236060      0.069708
      0.32849     20.74179      0.58602         0.008627      0.092484      0.283138
      0.64755      0.11631      1.77945        -0.040503     -0.479177     -0.219061
      0.63419      1.54392      2.08813        -0.085054      0.876094     -0.145219
      1.59316      0.38717      3.86772         0.408677     -0.043519      0.740296
      1.41755      2.95374      4.04379         0.046621     -0.059394      0.273000
      1.97335      2.96114      5.31533         0.114936     -0.361292      0.012873
      2.11102      4.12355      6.05045         0.125204     -0.154957      0.093938
      1.00154      4.21365      3.58874        -0.086026     -0.035909     -0.019795
      1.16377      5.39002      4.35621        -0.130932      0.091182      0.017924
      1.79737      5.44481      5.63921         0.086442      0.297391      0.369898
      2.14400      6.71565      6.50475        -0.140414     -0.181756     -0.220661
      2.62666      6.65830      7.84916        -0.268782      0.334212     -0.454940
      3.11681      7.74674      8.58820        -0.068408      0.403614     -0.498720
      2.09558      8.07965      6.07541        -0.043329     -0.302039     -0.142237
      2.56826      9.17410      6.79904         0.014843      0.617733      0.187925
      3.09818      9.05664      8.09836        -0.096248     -0.308671     -0.177612
      2.85525      5.38649      8.54909         0.792611     -0.349222      0.281252
      0.49590      6.58039      3.72821         0.250746     -0.179698     -0.143517
      4.70263     14.08709      0.67875        -0.157334      0.423983      0.094105
      4.04374     14.99530     -0.14664         0.138913      0.118851      0.151096
      4.03274     16.38538      0.18046         0.068157     -0.107367      0.053593
      5.39942     14.53850      1.79746        -0.126815      0.044929      0.071466
      5.41161     15.90326      2.10338        -0.085537      0.010408     -0.082598
      4.71485     16.88884      1.34662        -0.071967      0.027268     -0.132248
      4.53166     12.70808      0.16375         0.533953     -0.768641      0.769251
      3.46762     14.15058     19.98077        -0.670287      0.534492     -0.880568
      4.76291     18.37140      1.82635        -0.048649     -0.254313     -0.205313
      4.10785     19.47312      1.19161         0.117258      0.055656      0.025344
      4.26766     20.79326      1.67610         0.178070     -0.126567      0.139029
      5.54245     18.70496      2.97133        -0.159387     -0.014639     -0.117383
      5.70588     20.00997      3.44525        -0.068974     -0.065687      0.037081
      5.06211     21.04986      2.78955        -0.089864     -0.226119     -0.148001
      5.10491      1.24674      3.06040         0.308046      0.323535      0.329040
      3.77512      0.87942      1.20553        -0.436224      0.075268     -0.806430
      3.98129      3.33887      2.06782        -0.349007     -0.223930     -0.331604
      3.07710      3.92024      1.15926         0.109804     -0.104558      0.193344
      2.75793      5.29230      1.16541         0.117461     -0.135360     -0.169373
      4.43883      4.26252      3.01112         0.248063     -0.023933     -0.001101
      4.19458      5.65058      2.91437        -0.255199      0.287912     -0.254068
      3.38840      6.32283      1.95187        -0.030902      0.264218     -0.352401
      3.15982      7.98062      1.86287         0.026608     -0.053511     -0.051850
      2.20845      8.58471      0.98396        -0.395626     -0.177675     -0.187564
      1.86929      9.95188      0.91457        -0.056402     -0.008755      0.211812
      3.71795      9.04111      2.68362         0.362046     -0.214000     -0.231803
      3.30819     10.39157      2.71896        -0.149548      0.293761     -0.125666
      2.35126     10.91407      1.81524         0.246977     -0.103123      0.385397
      1.41624      7.72162      0.03531        -0.176036      0.530763      0.120296
      4.86397      6.43210      3.97371        -0.358640      0.290368     -0.533448
     18.17498     17.31434     13.51142         0.142551      0.490002      0.101379
     19.22414     17.80101     14.28995        -0.289590      0.163551      0.059240
     19.48384     19.17716     14.39472        -0.200146     -0.174875      0.105306
     17.38458     18.20352     12.78114         0.169150     -0.039567      0.093342
     17.62531     19.57943     12.91078        -0.023635     -0.002630      0.056739
     18.66061     20.12236     13.72884        -0.248809      0.091347      0.010605
     18.14131     15.84318     13.61755        -1.024754     -0.954585     -0.521589
     19.89830     16.61816     14.91826         0.089080      0.333112      0.028051
     18.78675      0.36912     13.94640        -0.360036     -0.119276     -0.030292
     19.78479      0.95831     14.76449        -0.096568      0.185708      0.203185
     19.73597      2.32400     15.09884        -0.329144     -0.117680     -0.252503
     17.79484      1.25369     13.43241         0.103180     -0.093232      0.114034
     17.78737      2.62772     13.70319         0.141328      0.045003      0.065183
     18.76782      3.16412     14.54554         0.005198     -0.668036      0.030139
     18.98352      4.53230     15.05784        -0.523758      1.005410     -0.181995
     20.52239      3.14178     16.08094         0.387050     -0.354940      0.385468
     20.64338      5.64252     16.65202        -0.051764      0.317563     -0.138603
      0.68867      5.61466     17.13927         0.432417     -0.214855      0.006320
      1.36460      6.79065     17.49438         0.037024     -0.182601      0.075752
     20.04759      6.91844     16.70284         0.203996      0.093224      0.395303
     20.64256      8.04640     17.34458         0.396528     -0.580547     -0.275865
      0.78828      8.05272     17.73181        -0.133039      0.295069      0.390517
      1.67030      9.20064     18.38282         0.393834      0.024788      0.152094
      3.00897      9.11691     18.97185        -0.357971     -0.498563     -0.238929
      3.66860     10.22213     19.60069        -0.118899      0.129000     -0.238618
      1.16924     10.50448     18.58521        -0.672149      0.120183     -0.123337
      1.85341     11.62096     19.07669         0.498308     -0.217705      0.384110
      3.14696     11.53123     19.62278        -0.905478      0.392421     -0.193323
      4.00921      7.93211     18.86474        -0.470862     -0.037606      0.194755
     19.64973      9.16735     17.53417         0.507298     -0.088419      0.265264
      2.02456     18.16764     14.10811        -0.075092      0.442272     -0.034908
      1.27964     19.11255     13.40082         0.099452      0.078799      0.417935
      1.35133     20.46529     13.73622         0.307002      0.043116     -0.013851
      2.97592     18.56769     15.05218        -0.333762      0.147446      0.001258
      3.14346     19.94040     15.29366        -0.171465     -0.027226     -0.115465
      2.27634     20.92361     14.70714         0.353660      0.015486      0.250351
      1.69744     16.83720     13.59241         0.408866     -1.448612      0.292097
      0.46846     18.40005     12.37487        -0.468958      0.046062     -0.419481
      2.43687      1.13935     15.01018         0.217876     -0.298231      0.261229
      1.76853      2.13884     14.27273        -0.020770      0.503642      0.016566
      2.05738      3.49670     14.48503         0.155405     -0.172354      0.266411
      3.34897      1.57708     16.00736        -0.274877     -0.054057     -0.125995
      3.67944      2.92823     16.17569        -0.464340      0.361315     -0.019670
      3.05761      3.88956     15.37361        -0.313570     -0.620614      0.317749
      3.19721      5.36422     15.32643        -0.759354     -0.525803     -0.453194
      1.42576      4.73729     13.97097        -1.453012      0.006948     -1.200104
      1.66636      7.24586     14.51285        -0.493674      0.280854     -0.058847
      0.37584      7.54550     14.05592        -0.143182      0.027775     -0.054565
     21.07384      8.82176     14.13864        -0.137735      0.075372     -0.014966
      2.33541      8.36444     15.07944        -0.172174      0.006571     -0.280592
      1.78855      9.68240     15.10423        -0.287398     -0.042904     -0.240745
      0.44102      9.99159     14.62571        -0.200191      0.019325     -0.034422
     20.89704     11.34808     14.60969         0.159929     -0.035654     -0.010622
     19.54118     11.64819     14.14195         0.083650     -0.008461      0.078317
     19.03943     12.96614     14.07872         0.030389      0.045797      0.240209
      0.29227     12.54186     14.98218         0.054793     -0.151255     -0.037869
     -0.25767     13.81968     15.04880         0.254895      0.250018      0.013321
     19.71970     14.09051     14.57652         0.185378     -0.131659      0.046827
     18.49803     10.68097     13.58018        -0.037764      0.188374      0.058608
      2.77192     10.70293     15.65281         0.404820     -0.313153     -0.061360
     16.09243      0.41329      5.21229         0.040790      0.466840      0.147982
     16.89141      0.86775      6.25606        -0.139863      0.173935     -0.108655
     16.98132      2.24294      6.55031        -0.099175     -0.229621      0.079025
     15.29737      1.30553      4.50862         0.256646     -0.090153      0.066543
     15.35596      2.66328      4.82200         0.212132      0.064347      0.117934
     16.21871      3.19180      5.81163        -0.024312      0.083707      0.051628
     16.35866     20.24494      4.97086        -0.416256     -0.579403     -0.881871
     17.57369     20.91224      6.81136         0.586942      0.249460      0.703102
     16.27495      4.69850      6.03093        -0.091479     -0.127091      0.027645
     17.11915      5.31856      6.98630        -0.151279      0.101086      0.141028
     17.06435      6.70647      7.19931        -0.334363     -0.008586     -0.133228
     15.41766      5.57003      5.30003         0.074238     -0.186274      0.097256
     15.40330      6.95218      5.48216         0.143260      0.034599      0.145598
     16.24582      7.52571      6.42918        -0.017702     -0.448715      0.021117
     16.41695      8.92950      6.85399        -0.197121      0.733075     -0.186508
     17.64584      7.57421      8.26456         0.430175     -0.331048      0.749291
     17.76779     10.11661      8.65127         0.180735      0.293382      0.268840
     18.81024     10.01938      9.57082        -0.094969     -0.495798     -0.214367
     19.41335     11.13447     10.12721         0.174374      0.217367      0.221495
     17.34014     11.44300      8.41457        -0.150392     -0.228141      0.008967
     17.84025     12.55766      9.12868         0.290117     -0.040266      0.057844
     18.96695     12.46708     10.04435         0.150555      0.159911      0.113124
     19.75079     13.58284     10.82113        -0.365115      0.075689     -0.092033
     21.01062     13.47051     11.54594        -0.186110     -0.141895     -0.196974
      0.40970     14.58976     12.08284        -0.362939      0.083295     -0.293385
     19.26877     14.92229     10.86569         0.116052      0.223820      0.151561
     19.98526     16.04885     11.33311        -0.365637      0.003425     -0.094669
     21.22471     15.90616     11.95945        -0.247881      0.039999      0.001340
      0.66559     12.25786     11.70982         0.151437      0.015504     -0.009468
     17.09103     13.82587      8.78746         0.289914     -0.084472     -0.140642
     20.39707      1.31064      6.11062        -0.142149      0.115523     -0.064332
     19.83123      2.35958      5.38382         0.055239      0.001540      0.190781
     19.85573      3.66291      5.84171        -0.113613      0.102570      0.117581
     20.90547      1.54347      7.38621        -0.113496      0.009212     -0.298647
     20.91177      2.85384      7.86206        -0.175678      0.351608     -0.014009
     20.42298      3.95795      7.10307        -0.088241      0.028927      0.162529
     20.20363      0.06879      5.31883         0.329401     -0.984459      0.464668
     19.12628      1.79344      4.20290        -0.357652      0.476550     -0.427518
     20.50782      5.38494      7.57171        -0.092688     -0.113681      0.062178
     20.12834      6.42890      6.71081        -0.155154      0.274699      0.136922
     20.39739      7.75970      7.03973        -0.057269     -0.016993      0.208785
     -0.23277      5.75981      8.83110        -0.240567     -0.008607     -0.088703
      0.12876      7.07497      9.12723        -0.221195      0.242501      0.056530
     21.09024      8.07590      8.19940        -0.255044     -0.309771      0.062647
      0.09403      9.52426      8.21048         0.027804      0.289940      0.340303
     20.06685      9.04134      6.34119         0.143333     -0.254116      0.431486
     20.44451     11.50402      6.88066        -0.178307      0.377264     -0.110298
     19.56077     11.91524      5.88205        -0.208208     -0.162542     -0.227926
     19.22040     13.24827      5.66909        -0.167280      0.130749     -0.176973
     20.98379     12.56583      7.64112         0.044167     -0.178938     -0.246022
     20.71331     13.92329      7.35437        -0.206268     -0.053412     -0.340051
     19.75513     14.36720      6.35855        -0.156999      0.169520     -0.282024
     19.22585     15.82035      6.06115         0.114029     -0.203374     -0.083125
     18.36293     16.24662      4.98105         0.165461      0.108144     -0.026353
     17.84441     17.56520      4.88647         0.107837      0.030539      0.037422
     19.49715     16.91466      6.92551         0.198055     -0.274917      0.075471
     18.90995     18.17123      6.89769        -0.050122      0.376502      0.151807
     18.01158     18.53555      5.89114         0.142212     -0.180264      0.100203
     17.79545     15.33972      3.89984         0.143905      0.342252     -0.059197
      0.31638     14.86448      8.13766         0.272954     -0.110117      0.055809
     12.56992      5.25524      4.06587         0.003519      0.024281      0.256368
     12.99635      3.73784     20.59357         0.218955      0.029506     -0.130345
     12.94118      6.13018     21.09381        -0.029291     -0.050433      0.088860
     12.64542      7.46535      4.40474         0.074881     -0.151823      0.265931
     13.20306      7.91745      0.11824        -0.033175      0.030285      0.224195
     13.52278     10.32423      0.40714         0.059626     -0.043783     -0.030373
     13.12231     13.53438      8.52604         0.204770      0.007499     -0.097318
     13.11512     11.68733      7.06992         0.182068      0.232620      0.091182
     14.25995     14.20320      3.81649         0.064489     -0.044372     -0.095427
     12.95076     17.16363     11.43322        -0.000100     -0.043495      0.025072
     14.80718     17.68447      6.96631         0.151924     -0.130869      0.130309
     14.75909     19.54217      8.38852         0.153903     -0.097586      0.075915
     10.08994      6.86814      3.29599        -0.174362      0.168403     -0.315409
      9.56902      3.48538      6.88617         0.184532     -0.022566      0.093074
      9.65202      5.85979      7.50279         0.215449     -0.006291     -0.227018
     10.29650      8.78341      3.81318        -0.102964      0.039678     -0.271739
      9.72577      7.71577      7.97839         0.101187      0.007432     -0.078877
      9.91901     10.07859      8.62058        -0.072885      0.023025      0.119544
     12.25640     15.80814      2.50552        -0.232738     -0.052288      0.131221
     11.49474     13.64114      3.00492        -0.063437      0.050588     -0.087600
     10.51194     14.90632      6.95098        -0.173339      0.094607     -0.077084
     13.05525     20.23541      1.08280         0.146166      0.072752      0.176582
     11.62090     19.20308      5.62826         0.105317      0.113044     -0.326048
     11.96970      0.18180      5.03630         0.084224      0.002121      0.194100
     10.01600      9.22351     17.29246         0.133070      0.039289      0.392731
     10.23293      7.76178     12.55255         0.199740     -0.068925     -0.122447
     10.23488     10.13234     13.07111         0.050291      0.022818     -0.010606
     10.06708     11.39228     17.68426         0.168891     -0.071248      0.271026
     10.52751     12.00914     13.40231         0.012261     -0.019964      0.220907
     10.76073     14.41565     13.76913         0.070124     -0.057529     -0.023115
      9.50971     17.72593      0.42194         0.179329      0.060990     -0.358183
      9.97682     15.81710     20.39554        -0.111909      0.071591      0.052177
     11.19971     18.30335     17.14589         0.315941     -0.007558      0.038175
      9.26166      0.05795      3.39489        -0.305643     -0.069482      0.176801
     11.17930      0.72412     20.30783        -0.153385     -0.160598     -0.037363
     10.42149      2.62087      0.23063         0.062388     -0.232429     -0.077258
      7.43997     10.67277     16.00345        -0.320091      0.092746     -0.217756
      7.06476      7.27855     19.62924         0.183449     -0.024222      0.040647
      7.10832      9.64478     20.21807         0.212856      0.010987     -0.283303
      7.60826     12.73860     16.56372        -0.140130     -0.006516     -0.283199
      6.95490     11.45626     20.65486         0.192283      0.022519     -0.051127
      7.04019     13.75425      0.14120         0.135187      0.055068      0.082604
      9.37449     19.94359     15.94282        -0.237666     -0.177759      0.108080
      8.67445     17.70139     16.22119         0.012714      0.051809     -0.082487
      6.98785     18.79639     19.97674        -0.349725      0.125332     -0.284867
      9.78828      2.87274     14.29460         0.352591      0.071453      0.129779
      8.35207      2.00472     18.87789        -0.034155      0.032527     -0.296858
      9.01511      4.20707     18.28184         0.046915     -0.135896      0.100857
      6.81242     13.00316      8.76357        -0.039077      0.056077      0.227223
      7.51589     11.37736      4.09235        -0.093986      0.030193     -0.107878
      7.74151     13.75914      4.59608        -0.139562      0.033762      0.010299
      6.86500     15.18264      9.08007         0.006455     -0.105057      0.232661
      7.97922     15.54563      4.90683        -0.264146      0.120852      0.128376
      7.99526     17.94797      5.10061        -0.141041      0.147392     -0.064272
      6.33696      0.29167     12.86041         0.379931      0.062552      0.045338
      6.83653     19.59707     11.62770        -0.124216      0.128558      0.227433
      8.24839      0.77380      8.46179         0.315530     -0.036428      0.020354
      6.40021      3.89901     15.95873        -0.184645     -0.152479      0.346434
      8.42436      4.53528     11.61040        -0.030187     -0.188978      0.031562
      7.89711      6.40913     12.90784         0.158870     -0.147489     -0.100196
      3.57958     14.39433      9.04792         0.024296      0.079235     -0.242990
      4.57696     11.30423     12.82967         0.125007     -0.089939      0.127807
      4.68569     13.72886     13.19387         0.004132      0.014558     -0.130896
      3.89280     16.38225      9.29286        -0.081915      0.056148     -0.249747
      4.78832     15.61385     13.45009         0.235628      0.039483     -0.033858
      5.15489     18.00360     13.82298        -0.101786      0.102830      0.058663
      5.45570      2.32529      7.43611         0.006868      0.033018      0.338560
      4.84611      0.18065      8.09626        -0.060331      0.195231     -0.115665
      4.14170      1.59440     12.05020        -0.329461     -0.040443     -0.070393
      6.98109      6.62340      5.95436         0.204821     -0.236212      0.176474
      5.48468      5.90371     10.52225         0.286477      0.015005     -0.287560
      6.05451      8.04890      9.86297        -0.030848     -0.240262     -0.055592
      2.09488     16.46330      3.27202        -0.005168     -0.035509      0.152571
      0.35218     14.86968     20.11901        -0.237502     -0.057041      0.007750
      0.43967     17.25159     20.60339        -0.099073     -0.183583      0.015484
      1.80581     18.74741      3.62336        -0.035601     -0.107247      0.223642
      0.27188     18.91485     20.81501        -0.067732     -0.007169      0.062252
      0.01165      0.06311     20.98739        -0.160134      0.083053     -0.226597
      2.48524      3.85201      7.01575        -0.064954      0.267673     -0.356334
      2.29732      2.01340      5.75130        -0.057710      0.256900      0.089586
      0.53326      4.29838      2.61675        -0.121924     -0.071651      0.059947
      3.54851      7.57789      9.55138        -0.095806     -0.058542      0.484580
      1.68305      8.37407      5.11666         0.113038     -0.267597      0.078744
      2.47272     10.18390      6.38545        -0.003126     -0.291584     -0.146868
      3.45439     17.07368     20.82269         0.103227     -0.004174     -0.161324
      5.91380     13.82617      2.44262         0.040239     -0.014544      0.045935
      5.99902     16.18925      2.97769        -0.142519      0.020263     -0.048683
      3.46987     19.30386      0.33004        -0.024000      0.018286     -0.240222
      6.10904     17.93802      3.49746        -0.155417     -0.012309     -0.011319
      6.35981     20.21412      4.28958         0.036581     -0.004246      0.176483
      1.89986      5.43513      0.53112         0.248794      0.278373     -0.057450
      2.51190      3.25689      0.50950        -0.037999      0.199426     -0.219896
      4.96199      3.91279      3.88561         0.305994     -0.065907     -0.045880
      1.21082     10.26980      0.12009        -0.326231     -0.099176      0.021109
      4.53661      8.88641      3.38197        -0.111082     -0.167810     -0.359028
      3.76903     11.06537      3.45841        -0.024466     -0.307179     -0.271276
     20.32227     19.50758     14.99327         0.130445      0.055878      0.304428
     16.62124     17.82360     12.10019        -0.147430      0.083943      0.081665
     16.94252     20.23307     12.36090         0.211570      0.032810      0.012548
     20.59206      0.35101     15.14887         0.175400     -0.182623      0.344664
     16.97084      0.85917     12.83013         0.151296      0.065663      0.048642
     17.00021      3.25404     13.28888        -0.044629      0.122150     -0.043006
      2.44188      6.67690     17.52491        -0.408508      0.026176      0.281009
      1.23213      4.66586     17.15549         0.031999      0.203484     -0.022344
     19.10442      7.08190     16.20815        -0.404393     -0.122599      0.144227
      4.60933     10.03675     20.09776         0.157217     -0.034783     -0.034936
      0.12906     10.72001     18.35208         0.281967     -0.033056     -0.129232
      1.35185     12.57642     19.07651        -0.258716      0.158639     -0.078265
      0.75634     21.19203     13.20166        -0.289358      0.084750     -0.246633
      3.59741     17.82000     15.55530        -0.058747      0.138774     -0.037189
      4.04637     20.21884     15.86190        -0.581246      0.114082      0.054615
      1.02017      1.86282     13.54469        -0.227020      0.054721     -0.324317
      3.94063      0.83511     16.55929        -0.415594      0.254713      0.086583
      4.44854      3.22226     16.88041        -0.089199      0.072458      0.242559
     20.04083      8.86249     13.80524         0.221988      0.002307      0.080287
     21.00623      6.73971     13.69408        -0.074892      0.003734     -0.200115
      3.27379      8.20992     15.59895         0.190070      0.032415     -0.270539
     18.10588     13.12004     13.55779        -0.212555      0.057277      0.211265
      1.35890     12.53563     15.14504        -0.222795      0.010431      0.105168
      0.39327     14.63495     15.34751         0.055152     -0.016374      0.127231
     17.67950      2.57382      7.30957         0.058699      0.026788      0.318051
     14.66763      0.93467      3.71329         0.031806     -0.022814     -0.138221
     14.71467      3.33763      4.25989         0.180123     -0.020734     -0.004657
     17.82623      4.72891      7.55544         0.018470     -0.150160      0.316184
     14.71277      5.16647      4.57168         0.147916     -0.005089      0.060918
     14.70503      7.57205      4.93773        -0.004632      0.097357     -0.209087
     20.32757     10.89503     10.64121        -0.200284      0.098664      0.147717
     19.19281      9.02629      9.79420         0.142015      0.093526      0.175026
     16.61450     11.62476      7.62721        -0.118010     -0.049546      0.205242
      1.31063     14.44226     12.63100         0.531306     -0.148853      0.190183
     18.27589     15.17983     10.49941         0.235253     -0.262214      0.004580
     19.58074     17.05153     11.16024        -0.086614     -0.266540      0.079152
     19.37980      4.42411      5.23264        -0.023585      0.125917     -0.107084
     21.24216      0.71645      7.99969         0.209300     -0.137392      0.149122
      0.07064      3.02307      8.85042        -0.064732      0.033721      0.113578
     19.68036      6.20811      5.75645        -0.289503     -0.028301      0.013400
     -0.02157      4.98802      9.55857        -0.137233      0.016574      0.271393
      0.64833      7.30530     10.05577        -0.103372      0.054240      0.136336
     18.45041     13.34802      4.90874         0.285374      0.129586      0.316430
     19.07465     11.14192      5.29090        -0.033599      0.248008     -0.146397
      0.36034     12.34333      8.48911         0.192469     -0.002985     -0.193657
     17.17085     17.78908      4.06591         0.160659      0.003224     -0.031463
     20.19046     16.80747      7.73978        -0.060185     -0.047245     -0.093810
     19.16338     18.89734      7.67152         0.042805     -0.194417     -0.012574
     13.94572     19.31334     10.77811        -0.094943     -0.111398     -0.100682
     18.90905     20.99905      3.63214         0.485262      0.375217      0.173817
     12.74093      1.19849      2.66672        -0.011767      0.000598     -0.201683
     13.63920     11.59061      4.45486         0.056210      0.068800     -0.366090
      9.56164      2.62834      2.80686         0.038586      0.262014      0.253348
     10.49562     12.71709      5.33443         0.002109      0.085127      0.439653
      9.92143      5.14798     15.89848         0.023444      0.040934     -0.040161
     10.69457     15.64314     17.81527         0.135596      0.535982     -0.139666
      6.91491      6.43805     15.49502         0.187167      0.315144     -0.177469
      7.38501     16.62172     18.29809        -0.020805      0.093687      0.232229
      6.68370      8.94377      7.43221        -0.009243      0.066509     -0.160741
      7.57041     19.39819      9.07756        -0.068493      0.083841     -0.139456
      3.49566     10.16218      8.90369         0.001583      0.292500     -0.164748
      4.19396     20.51287     10.54184         0.064124      0.190785      0.306034
      1.95877     12.32233      1.72838        -0.093098      0.156859      0.317197
      1.22947      1.70798      3.37910        -0.127973     -0.249893     -0.421197
      3.71853     12.73010     20.28290        -0.123504      0.125371     -0.291634
      4.24468      1.89625      2.11915         0.144284      0.264109      0.045567
     19.24432     15.44132     14.44440        -0.392169     -0.133726     -0.242818
     20.04762      4.48975     16.00890        -0.064133      0.064020     -0.063121
      0.70154     16.98981     12.55340         0.230453      0.045669      0.404720
      2.10888      5.86677     14.51217         0.587772      0.344054      0.506925
     17.33666     19.81238      5.90659         0.064946      0.023562     -0.066488
     17.29627      8.94113      7.97644        -0.243735     -0.080905     -0.260332
     19.40900      0.42567      4.21893        -0.241305     -0.189728     -0.254143
     20.67289     10.10633      7.08515         0.255265      0.002505      0.526926
     12.37979      2.28748      4.74384        -0.049180     -0.073030     -0.252965
     13.43577      1.01350      0.40496        -0.097583      0.309972      0.623213
     13.26018      9.86661      6.03806        -0.115993      0.001624     -0.078397
     13.79587     12.60013      2.29541        -0.018791     -0.965177      0.864681
      9.74692      4.49969      1.34663        -0.086842     -0.240043      0.325801
      9.30834      1.49416      4.88641        -0.016324     -0.220287     -0.103467
     10.47233     11.67255      3.21092        -0.052038      0.164276      0.079491
     10.19959     12.89187      7.69150         0.041441     -0.395663     -0.882702
      9.80734      6.28978     17.99461         0.155657     -0.221059     -1.156852
     10.65780      4.91113     13.64657        -0.541922      1.160862      1.685615
     10.39750     13.89725     19.40212         0.136598      0.216318     -0.244946
     10.95403     16.64909     15.67384        -0.029811     -0.630148      0.649915
      7.06140      8.33743     14.06776        -0.107903     -0.357738      0.300539
      6.57427      5.29514     17.55191         0.095667      0.311300     -0.442584
      7.67837     15.71230     16.13060        -0.167397      0.075816      0.211160
      7.08187     16.64297     20.64187         0.066450     -0.310178     -0.787286
      6.58638     10.10687      9.50434         0.130194     -0.136224     -0.219228
      7.10862      8.68038      5.13576        -0.056754     -0.060996      0.025607
      7.15886     17.70229     10.68057         0.213627      0.206771     -0.460662
      7.95354     20.32078      6.93765        -0.197535      0.067564      0.130825
      3.09722     11.97111      7.41294         0.115387     -0.239261      0.232060
      3.93326      9.10260     10.98373        -0.107123      0.161236     -0.277492
      4.16438     19.36381      8.48191        -0.116125      0.011768     -1.374182
      4.35066     20.72155     12.86869         0.059727      1.502681      1.908961
      2.97335     13.38564      3.61691        -0.589797     -0.137649     -0.869290
      0.33481     12.20004      0.00867        -0.183806     -0.362718     -0.119260
      2.17283      0.13846      4.91815        -0.080903      0.164700     -0.350490
      0.22023      2.45389      1.37943        -0.011564     -0.159760      0.161393
      2.90567     14.56276     18.96875         0.356307     -0.455083      0.619761
      5.03994     11.70390      0.66763        -0.196439      0.082592     -0.170551
      3.10220      1.10418      0.20704         0.141183     -0.016359      0.181830
      5.78124      1.80347      3.91208        -0.059361      0.007188     -0.088020
     -0.41344     16.65534     15.68623         0.182620     -0.065263      0.282307
     17.30951     15.09123     13.09273         0.749041      0.640385      0.651708
      0.12164      2.73015     16.85105        -0.178511      0.120921     -0.017581
     18.37031      5.54403     14.72574         0.204101     -0.310025      0.143681
     20.99931     18.89590     11.52107         0.240932     -0.223083      0.190587
      2.20706     15.76899     13.96966        -0.706049      0.999734     -0.378056
      0.43070      4.78422     13.22742         0.904120     -0.013605      0.587182
      4.04569      6.03660     15.85917         0.579652      0.731886      0.322883
     18.20907     20.85592      7.85796        -0.116025     -0.093983     -0.255498
     15.86539     19.56035      4.07515         0.253486      0.150561      0.291226
     18.23843      7.18391      9.26232        -0.176476      0.124550     -0.065873
     15.91794      9.92694      6.34946         0.300972     -0.125353     -0.016366
     18.39748      2.36700      3.40006         0.203980     -0.147528      0.084639
     20.63662     20.19389      5.52746        -0.270019      0.504136     -0.059576
     19.36635      9.17241      5.36130        -0.523051      0.029176     -0.648923
      0.75975     10.13183      9.03696        -0.409609     -0.046206     -0.286039
     13.89095     17.52755      5.29498         0.111897     -0.105782     -0.088859
     15.80484     16.55813      5.59079         0.395394      0.181368      0.138707
     14.67874     16.26472      3.73058         0.078408      0.073967     -0.200720
     11.98422     15.37802     11.42804        -0.092535     -0.285918     -0.062832
     11.41917     14.59970      9.48044         0.085648     -0.093610     -0.025663
     13.28705     13.92192     10.46876        -0.083080     -0.135708      0.072601
     11.90445     18.04070      7.25314         0.092025     -0.015155      0.059644
      9.95122     18.42449      6.41806         0.071889      0.225149     -0.014778
     10.23506     16.77142      7.82708         0.186062      0.284745     -0.236219
     13.12469     18.48347      0.07958         0.054628     -0.211651      0.184006
     14.04518     17.02199      1.40178        -0.228226      0.125593      0.084258
     11.90976     16.87586      0.90255         0.326421     -0.096745     -0.002211
     10.50616      0.32406     18.54469         0.351000      0.012505     -0.351771
     12.57351     -0.28759     18.90776         0.207163     -0.065620      0.054680
     11.57391     20.43002     17.04444         0.245112     -0.025937     -0.091340
      8.86413     19.36435      3.59704        -0.192445     -0.220985     -0.149743
      7.88910     18.71932      1.74033        -0.357093     -0.122547     -0.368527
      9.82877     17.93918      2.30288        -0.145478      0.200772     -0.133382
      7.90530      0.74859     20.36361        -0.153016      0.217723      0.239390
      6.08051      1.05342     19.16788         0.010379      0.117900     -0.060506
      6.17902     20.71466     20.65628         0.147914      0.143904     -0.240115
      9.58188      1.07871     13.27442        -0.033272      0.277176      0.062510
     10.81441     21.20935     14.62463        -0.059201     -0.007571      0.349590
      8.77612     20.53608     14.16783         0.464555      0.970078      0.206916
      8.04012      4.04778      9.80199         0.289008      0.189306     -0.219154
      9.94623      3.17353     10.41886         0.310454      0.063431      0.172474
      9.07038      2.68501      8.48080         0.423242     -0.062431      0.054647
      6.03169      1.90652     16.12504         0.135453     -0.215473     -0.255126
      5.01996      1.50065     14.17618         0.163152     -0.218362      0.270406
      6.76611      0.44182     14.77874         0.506407     -0.125020     -0.171736
      5.40250      4.97351     12.02279        -0.023516      0.390760      0.092365
      3.25538      4.73280     11.84997        -0.092824     -0.410254     -0.038365
      4.41227      3.34990     12.98172        -0.085612      0.000980      0.051036
      7.16181      4.50768      5.18510        -0.120831     -0.186932      0.165916
      7.23572      2.92188      6.66461         0.223650      0.030781      0.086899
      5.30969      3.62295      5.96776        -0.148200     -0.383930     -0.038566
     -0.40796      7.22169      4.49265        -0.185888      0.305242      0.108087
      1.39307      7.56704      3.40322        -0.490357     -0.237494     -0.333245
     -0.19981      6.22045      2.63620        -0.387605      0.029644     -0.122409
      3.30652      5.57026      9.81125        -0.128037      0.142530     -0.553357
      1.87250      4.45434      8.72092        -0.077728     -0.053364      0.011289
      3.82681      4.75145      7.81199        -0.159565      0.081569      0.390757
      6.00287      6.99042      3.47237         0.261071      0.364927     -0.013772
      4.08456      7.40374      4.53265         0.073651      0.165411      0.066808
      5.17471      5.68732      5.01053         0.085285     -0.293010      0.806182
      0.60681      8.38771     20.42429        -0.161988      0.117896      0.531826
      2.27750      6.97776     -0.68890        -0.078453     -0.143083     -0.797311
      0.57291      6.85916      0.64280        -0.373634     -0.001781     -0.029875
     19.47493      9.42332     18.86972        -0.144264      0.080273      0.115386
     20.04458     10.33840     16.95817        -0.113784      0.418394     -0.045923
     18.43630      8.91025     17.00972        -0.512521     -0.121459      0.142499
      4.86219      7.96975     19.92957        -0.039054     -0.016447      0.119822
      3.71446      6.58286     18.78714         0.072548      0.616474      0.223349
      4.66605      8.16768     17.69841         0.126410      0.049760     -0.178905
      3.36323     11.45125     14.65661        -0.177608      0.069376     -0.124310
      2.25137     11.59244     16.52683         0.163266      0.230655     -0.018618
      3.82460     10.13724     16.31925         0.000722      0.008386     -0.247226
     17.39251     11.31897     13.08278        -0.085065     -0.133254      0.080291
     18.96141      9.95033     12.52626        -0.019403     -0.394267     -0.016105
     18.02138      9.80425     14.51297         0.147811     -0.082457      0.005882
     16.32303     14.24658      9.83467        -0.130665      0.130270      0.131411
     17.90883     14.87362      8.44495        -0.203540      0.013413      0.049339
     16.25882     13.66472      7.72230         0.037123      0.159733      0.071533
      1.66408     12.48830     12.61648         0.030698     -0.097791     -0.114835
      0.15236     11.05581     12.10823        -0.092140      0.125068     -0.191690
      1.28557     12.00251     10.53217         0.024632      0.124452     -0.215341
      1.07634     15.65510      7.32247         0.067978      0.201181     -0.154152
     20.87435     15.69283      8.96322         0.347982      0.157176      0.032228
      1.19380     14.23440      8.97366         0.100310      0.046940     -0.210173
     17.09575     16.01699      2.94967         0.231163     -0.071300     -0.160480
     18.75373     14.64793      3.21304         0.104957     -0.147566     -0.043622
     16.90326     14.42246      4.42498         0.168564     -0.016105     -0.312262
 -----------------------------------------------------------------------------------
    total drift:                               -0.012162     -0.004752      0.002988


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4559.1719296106 eV

  energy  without entropy=    -4559.3209536844  energy(sigma->0) =    -4559.22160430
 
 d Force = 0.1485252E+01[-0.151E+00, 0.312E+01]  d Energy = 0.1447848E+01 0.374E-01
 d Force = 0.1337207E+04[ 0.133E+04, 0.135E+04]  d Ewald  = 0.1337136E+04 0.714E-01


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -1.447848  1 .order   -1.485252   -3.121488    0.150984
  (g-gl).g = 0.875E+01      g.g   = 0.875E+01  gl.gl    = 0.968E+01
 g(Force)  = 0.875E+01   g(Stress)= 0.000E+00 ortho     =-0.132E-02
 gamma     =   0.90473
 trial     =   0.35660
 opt step  =   0.33900  (harmonic =   0.34014) maximal distance =0.04687828
 next E    = -4559.175660   (d E  =  -1.45158)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   37(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3184
 total energy-change (2. order) : 0.2089796E-02  (-0.2630992E+00)
 number of electron    2498.0000083 magnetization 
 augmentation part      162.8218476 magnetization 

  free energy =  -0.455916983480E+04  energy without entropy=  -0.455931890831E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   37(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3568
 total energy-change (2. order) :-0.5801236E-02  (-0.7103981E-02)
 number of electron    2498.0000083 magnetization 
 augmentation part      162.8223066 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8607
  0.8607

  free energy =  -0.455917563604E+04  energy without entropy=  -0.455932473005E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   37(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3608
 total energy-change (2. order) : 0.1450624E-03  (-0.1400875E-03)
 number of electron    2498.0000083 magnetization 
 augmentation part      162.8210821 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3783
  1.1588  1.5978

  free energy =  -0.455917549097E+04  energy without entropy=  -0.455932454980E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   37(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3600
 total energy-change (2. order) :-0.1231940E-03  (-0.1103701E-03)
 number of electron    2498.0000083 magnetization 
 augmentation part      162.8217079 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2777
  2.1694  0.9206  0.7430

  free energy =  -0.455917561417E+04  energy without entropy=  -0.455932470091E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   37(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) :-0.3341667E-04  (-0.2408660E-04)
 number of electron    2498.0000083 magnetization 
 augmentation part      162.8213125 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3202
  2.3747  1.0040  1.0040  0.8979

  free energy =  -0.455917564758E+04  energy without entropy=  -0.455932471218E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   37(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3256
 total energy-change (2. order) : 0.1158589E-04  (-0.1495904E-04)
 number of electron    2498.0000083 magnetization 
 augmentation part      162.8211435 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2669
  2.3984  1.0572  1.0572  0.9110  0.9110

  free energy =  -0.455917563600E+04  energy without entropy=  -0.455932471472E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   37(   7)  ---------------------------------------



 eigenvalue-minimisations  :  2384
 total energy-change (2. order) :-0.1403416E-05  (-0.2856034E-05)
 number of electron    2498.0000083 magnetization 
 augmentation part      162.8211435 magnetization 

  free energy =  -0.455917563740E+04  energy without entropy=  -0.455932469753E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0178       2 -56.1786       3 -56.0850       4 -55.8020       5 -55.8296
       6 -56.3380       7 -58.0919       8 -58.3044       9 -56.3299      10 -56.0061
      11 -56.0563      12 -55.8355      13 -55.7902      14 -55.9731      15 -58.0447
      16 -58.0918      17 -56.3211      18 -54.9138      19 -54.8469      20 -55.1359
      21 -55.6136      22 -55.6647      23 -55.7252      24 -55.6368      25 -54.9899
      26 -54.7923      27 -54.9322      28 -54.9574      29 -60.4218      30 -60.3845
      31 -55.6224      32 -55.8374      33 -55.7277      34 -55.2559      35 -55.5213
      36 -55.9937      37 -57.8190      38 -58.0920      39 -56.0958      40 -55.7887
      41 -55.9319      42 -55.7354      43 -55.7611      44 -55.8917      45 -58.0801
      46 -58.1976      47 -56.4977      48 -55.1484      49 -54.9939      50 -55.3174
      51 -55.9108      52 -55.8798      53 -55.7978      54 -55.7697      55 -55.1361
      56 -54.8608      57 -54.9719      58 -56.3685      59 -60.4130      60 -60.6288
      61 -55.9699      62 -56.0440      63 -55.9201      64 -55.7461      65 -55.7573
      66 -56.2385      67 -57.9971      68 -58.1533      69 -56.2607      70 -55.9241
      71 -56.0438      72 -55.7551      73 -55.6770      74 -55.9049      75 -58.0587
      76 -58.2145      77 -56.4941      78 -55.0728      79 -55.0103      80 -55.3234
      81 -55.8116      82 -55.8726      83 -55.9249      84 -55.9386      85 -55.1341
      86 -55.0651      87 -55.1546      88 -56.4561      89 -60.7454      90 -60.4493
      91 -55.6527      92 -55.7722      93 -55.6720      94 -55.4270      95 -55.5259
      96 -56.0068      97 -57.8420      98 -58.0144      99 -56.1040     100 -55.8596
     101 -55.9840     102 -55.5863     103 -55.6450     104 -55.8867     105 -58.0743
     106 -58.2244     107 -56.5045     108 -55.1024     109 -54.9575     110 -55.3732
     111 -55.8733     112 -55.8005     113 -55.8431     114 -55.9118     115 -55.2538
     116 -54.9635     117 -55.0626     118 -56.4618     119 -60.4715     120 -60.5629
     121 -55.8853     122 -55.9715     123 -55.8359     124 -55.7391     125 -55.7563
     126 -56.1528     127 -58.0127     128 -58.1971     129 -56.0592     130 -55.7243
     131 -55.8391     132 -55.6061     133 -55.5417     134 -55.7611     135 -57.8790
     136 -57.9946     137 -56.4047     138 -55.0167     139 -54.9581     140 -55.2093
     141 -55.7555     142 -55.8931     143 -55.9580     144 -55.9059     145 -55.1721
     146 -55.1050     147 -55.1913     148 -56.4544     149 -60.6333     150 -60.5684
     151 -55.5130     152 -55.6022     153 -55.4591     154 -55.2841     155 -55.3873
     156 -55.8282     157 -57.8003     158 -57.8679     159 -55.8674     160 -55.6274
     161 -55.8258     162 -55.4361     163 -55.5145     164 -55.7135     165 -58.0105
     166 -58.1165     167 -56.4546     168 -55.0764     169 -54.9388     170 -55.3109
     171 -55.9529     172 -55.9742     173 -55.8923     174 -55.7603     175 -55.2847
     176 -54.7501     177 -54.9634     178 -56.3827     179 -60.4577     180 -60.5931
     181 -55.8996     182 -56.1157     183 -55.9674     184 -55.6674     185 -55.6803
     186 -56.2158     187 -57.9970     188 -58.2221     189 -56.2182     190 -55.8497
     191 -55.9957     192 -55.7385     193 -55.6810     194 -55.8915     195 -58.0148
     196 -58.1942     197 -56.4701     198 -54.9791     199 -54.9501     200 -55.3011
     201 -55.8458     202 -55.9606     203 -55.9308     204 -55.8726     205 -55.1965
     206 -55.1872     207 -55.1132     208 -56.4471     209 -60.7547     210 -60.5414
     211 -55.9243     212 -56.1087     213 -55.9546     214 -55.7151     215 -55.7114
     216 -56.2301     217 -58.0448     218 -58.3180     219 -56.1304     220 -55.8000
     221 -55.8895     222 -55.5996     223 -55.4683     224 -55.7608     225 -57.9081
     226 -58.0935     227 -56.4352     228 -54.9871     229 -54.9870     230 -55.1342
     231 -55.6437     232 -55.9594     233 -55.9994     234 -55.6324     235 -55.1372
     236 -55.0823     237 -55.1515     238 -56.4665     239 -60.3452     240 -60.3535
     241 -55.9144     242 -55.9778     243 -55.8509     244 -55.7255     245 -55.7612
     246 -56.2008     247 -58.0165     248 -58.1563     249 -56.1870     250 -55.8414
     251 -55.9692     252 -55.7289     253 -55.7163     254 -55.8922     255 -57.9547
     256 -58.0569     257 -56.3913     258 -55.0781     259 -54.9167     260 -55.1870
     261 -55.7519     262 -55.8431     263 -55.9084     264 -55.9660     265 -55.4309
     266 -54.9512     267 -55.1360     268 -56.4929     269 -60.6171     270 -60.3950
     271 -55.8967     272 -55.9846     273 -55.7875     274 -55.7497     275 -55.7381
     276 -56.0972     277 -58.1110     278 -58.1801     279 -55.8548     280 -55.6052
     281 -55.7206     282 -55.4431     283 -55.3752     284 -55.6678     285 -58.0198
     286 -57.9870     287 -56.4817     288 -55.0060     289 -54.9549     290 -55.3627
     291 -55.8532     292 -55.8419     293 -55.8325     294 -55.7645     295 -55.1019
     296 -54.8793     297 -54.9544     298 -56.3555     299 -60.3950     300 -60.5360
     301 -55.8459     302 -55.9869     303 -55.8550     304 -55.5839     305 -55.6283
     306 -56.1157     307 -58.0390     308 -58.2270     309 -56.1584     310 -55.8142
     311 -55.9648     312 -55.6915     313 -55.6413     314 -55.8680     315 -57.9625
     316 -58.0980     317 -56.4269     318 -54.9860     319 -54.8961     320 -55.2179
     321 -55.7813     322 -55.8311     323 -55.9301     324 -55.9134     325 -55.1558
     326 -55.1398     327 -55.2035     328 -56.4639     329 -60.5909     330 -60.3960
     331 -55.7898     332 -55.8047     333 -55.6757     334 -55.6147     335 -55.6010
     336 -56.0381     337 -57.9471     338 -57.9397     339 -55.8629     340 -55.5400
     341 -55.7154     342 -55.4748     343 -55.5033     344 -55.6958     345 -57.9421
     346 -58.0096     347 -56.3874     348 -54.8875     349 -54.9145     350 -55.2553
     351 -55.7428     352 -55.8329     353 -55.7890     354 -55.6941     355 -55.1756
     356 -54.7956     357 -54.9282     358 -56.3702     359 -60.4243     360 -60.4894
     361 -39.1869     362 -38.8021     363 -38.9597     364 -39.1731     365 -38.9411
     366 -38.7268     367 -38.0984     368 -37.9552     369 -38.1537     370 -38.1381
     371 -38.1619     372 -38.2005     373 -38.8904     374 -38.3653     375 -38.6648
     376 -38.9356     377 -38.8726     378 -38.8165     379 -38.1558     380 -38.1362
     381 -38.2239     382 -38.0650     383 -38.1831     384 -38.0245     385 -38.9348
     386 -38.7493     387 -38.9060     388 -38.9435     389 -38.8103     390 -38.5412
     391 -38.2020     392 -38.1373     393 -38.2522     394 -38.1504     395 -38.2331
     396 -38.2278     397 -38.7747     398 -38.3633     399 -38.6502     400 -38.9226
     401 -38.6722     402 -38.7811     403 -38.2052     404 -38.1245     405 -38.2656
     406 -38.1408     407 -38.0855     408 -37.9743     409 -38.8292     410 -38.7873
     411 -38.9812     412 -38.7465     413 -38.8224     414 -38.5845     415 -38.1772
     416 -38.1318     417 -38.0987     418 -38.2767     419 -38.2464     420 -38.2445
     421 -38.5793     422 -38.2903     423 -38.4921     424 -38.6997     425 -38.5487
     426 -38.6449     427 -38.1159     428 -38.0340     429 -38.3267     430 -38.2031
     431 -38.0646     432 -37.9259     433 -38.8591     434 -38.6771     435 -38.9814
     436 -38.8162     437 -39.0045     438 -38.7139     439 -38.4231     440 -38.0273
     441 -38.2290     442 -38.3521     443 -38.2882     444 -38.0217     445 -38.8642
     446 -38.7836     447 -38.8580     448 -38.8028     449 -38.7535     450 -38.3949
     451 -38.0865     452 -37.9358     453 -38.1504     454 -38.1314     455 -38.0141
     456 -38.0164     457 -38.9521     458 -38.6745     459 -38.8449     460 -38.9651
     461 -38.8411     462 -38.6819     463 -38.1810     464 -38.1433     465 -38.1756
     466 -38.4789     467 -38.0361     468 -38.2813     469 -38.9983     470 -38.7607
     471 -38.7035     472 -38.8334     473 -38.4813     474 -38.3642     475 -38.1162
     476 -38.0099     477 -38.2892     478 -38.0731     479 -38.1435     480 -37.9670
     481 -38.8959     482 -38.7788     483 -38.8658     484 -38.9055     485 -38.8925
     486 -38.7963     487 -38.1828     488 -38.1255     489 -38.0938     490 -38.3649
     491 -38.1561     492 -38.2422     493 -38.8649     494 -38.6236     495 -38.7308
     496 -38.7652     497 -38.5970     498 -38.5113     499 -38.0706     500 -37.8803
     501 -38.2029     502 -38.0959     503 -38.0823     504 -37.8949     505 -38.2565
     506 -41.0886     507 -71.7792     508 -71.6595     509 -71.5202     510 -71.7502
     511 -71.6525     512 -71.7165     513 -71.5163     514 -71.7512     515 -71.6880
     516 -71.5358     517 -71.4492     518 -71.4463     519 -71.6587     520 -71.6949
     521 -71.6958     522 -71.5555     523 -71.6465     524 -71.5571     525 -71.6744
     526 -71.5116     527 -71.7142     528 -71.6126     529 -71.2877     530 -71.5402
     531 -76.9076     532 -76.6816     533 -76.7252     534 -76.6262     535 -76.7187
     536 -76.5188     537 -76.8310     538 -76.6916     539 -76.6638     540 -76.4553
     541 -76.8037     542 -76.6692     543 -76.6463     544 -76.4679     545 -76.8349
     546 -76.6781     547 -76.8093     548 -76.6821     549 -76.5830     550 -76.5004
     551 -76.5205     552 -76.4497     553 -76.8077     554 -76.8757     555 -76.7135
     556 -76.7005     557 -76.8235     558 -76.6821     559 -76.8731     560 -76.6515
     561 -76.6703     562 -76.5395     563 -76.8036     564 -76.5906     565 -76.6580
     566 -76.5501     567 -76.8048     568 -76.7567     569 -76.5315     570 -76.8096
     571 -76.8375     572 -76.6528     573 -76.6858     574 -76.6040     575 -76.5372
     576 -76.5233     577 -76.6905     578 -76.5863     579 -82.3572     580 -82.4532
     581 -82.4929     582 -82.2922     583 -82.3630     584 -82.3441     585 -82.5631
     586 -82.6040     587 -82.4740     588 -82.2507     589 -82.1945     590 -82.3495
     591 -82.4285     592 -82.3102     593 -82.4830     594 -82.6137     595 -82.7466
     596 -82.6576     597 -82.5877     598 -82.4809     599 -82.4696     600 -82.4224
     601 -82.1031     602 -82.0271     603 -82.6633     604 -82.5062     605 -82.6849
     606 -82.4538     607 -82.4773     608 -82.6631     609 -82.6855     610 -82.3115
     611 -82.4958     612 -82.4074     613 -82.3524     614 -82.3151     615 -82.6626
     616 -82.5214     617 -82.5097     618 -82.7912     619 -82.9650     620 -82.6416
     621 -82.2699     622 -82.3547     623 -82.6819     624 -82.3117     625 -82.4875
     626 -82.3529     627 -82.2013     628 -82.3797     629 -82.4370     630 -82.5774
     631 -82.2925     632 -82.5456     633 -82.3994     634 -82.5932     635 -82.3904
     636 -82.2346     637 -82.3664     638 -82.2598     639 -82.3164     640 -82.3036
     641 -82.3558     642 -82.4391     643 -82.5492     644 -82.4697     645 -82.4068
     646 -82.5528     647 -82.4663     648 -82.3204     649 -82.3686     650 -82.3280
 
 
 
 E-fermi :  -1.4516     XC(G=0):  -6.4417     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.3201      2.00000
      2     -29.1628      2.00000
      3     -29.1455      2.00000
      4     -29.0972      2.00000
      5     -29.0541      2.00000
      6     -29.0351      2.00000
      7     -29.0263      2.00000
      8     -28.9639      2.00000
      9     -28.9632      2.00000
     10     -28.9510      2.00000
     11     -28.9267      2.00000
     12     -28.8790      2.00000
     13     -28.8588      2.00000
     14     -28.8362      2.00000
     15     -28.8023      2.00000
     16     -28.7846      2.00000
     17     -28.7516      2.00000
     18     -28.7423      2.00000
     19     -28.6519      2.00000
     20     -28.6327      2.00000
     21     -28.6240      2.00000
     22     -28.6074      2.00000
     23     -28.5557      2.00000
     24     -28.5100      2.00000
     25     -27.0140      2.00000
     26     -26.9117      2.00000
     27     -26.8205      2.00000
     28     -26.8097      2.00000
     29     -26.8011      2.00000
     30     -26.7906      2.00000
     31     -26.7792      2.00000
     32     -26.7460      2.00000
     33     -26.7200      2.00000
     34     -26.6735      2.00000
     35     -26.6535      2.00000
     36     -26.6499      2.00000
     37     -26.6480      2.00000
     38     -26.6442      2.00000
     39     -26.6299      2.00000
     40     -26.6266      2.00000
     41     -26.6185      2.00000
     42     -26.6145      2.00000
     43     -26.5872      2.00000
     44     -26.5660      2.00000
     45     -26.5569      2.00000
     46     -26.5509      2.00000
     47     -26.5433      2.00000
     48     -26.5087      2.00000
     49     -26.5057      2.00000
     50     -26.4888      2.00000
     51     -26.4829      2.00000
     52     -26.4796      2.00000
     53     -26.4735      2.00000
     54     -26.4276      2.00000
     55     -26.4154      2.00000
     56     -26.4060      2.00000
     57     -26.3932      2.00000
     58     -26.3908      2.00000
     59     -26.3884      2.00000
     60     -26.3843      2.00000
     61     -26.3640      2.00000
     62     -26.3556      2.00000
     63     -26.3492      2.00000
     64     -26.3448      2.00000
     65     -26.3423      2.00000
     66     -26.3319      2.00000
     67     -26.2810      2.00000
     68     -26.2655      2.00000
     69     -26.2595      2.00000
     70     -26.2580      2.00000
     71     -26.2142      2.00000
     72     -25.9650      2.00000
     73     -23.4437      2.00000
     74     -23.2374      2.00000
     75     -23.1839      2.00000
     76     -23.1739      2.00000
     77     -23.1726      2.00000
     78     -23.1587      2.00000
     79     -23.1500      2.00000
     80     -23.1492      2.00000
     81     -23.1429      2.00000
     82     -23.1378      2.00000
     83     -23.1122      2.00000
     84     -23.0774      2.00000
     85     -23.0597      2.00000
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   1231      -2.1872      2.00000
   1232      -2.1748      2.00000
   1233      -2.1639      2.00001
   1234      -2.1478      2.00001
   1235      -2.1424      2.00001
   1236      -2.1000      2.00005
   1237      -2.0807      2.00008
   1238      -1.8121      2.02869
   1239      -1.7243      2.06604
   1240      -1.6952      2.07090
   1241      -1.6854      2.06987
   1242      -1.6662      2.06225
   1243      -1.6485      2.04686
   1244      -1.6311      2.02177
   1245      -1.6119      1.98080
   1246      -1.6115      1.97981
   1247      -1.6072      1.96839
   1248      -1.5788      1.87084
   1249      -1.5702      1.83360
   1250       0.0558     -0.00000
   1251       0.1205     -0.00000
   1252       0.1421     -0.00000
   1253       0.1649     -0.00000
   1254       0.1993     -0.00000
   1255       0.2222     -0.00000
   1256       0.2595     -0.00000
   1257       0.2860     -0.00000
   1258       0.3053     -0.00000
   1259       0.3146     -0.00000
   1260       0.3408     -0.00000
   1261       0.5315     -0.00000
   1262       0.5489     -0.00000
   1263       0.6365     -0.00000
   1264       0.6490     -0.00000
   1265       0.6583     -0.00000
   1266       0.6755     -0.00000
   1267       0.7223     -0.00000
   1268       0.7330     -0.00000
   1269       0.7347     -0.00000
   1270       0.7452     -0.00000
   1271       0.7616     -0.00000
   1272       0.7709     -0.00000
   1273       0.8067     -0.00000
   1274       0.8512     -0.00000
   1275       0.8662     -0.00000
   1276       0.8757     -0.00000
   1277       0.9183     -0.00000
   1278       0.9365     -0.00000
   1279       0.9615     -0.00000
   1280       1.0071     -0.00000
   1281       1.0468     -0.00000
   1282       1.0544     -0.00000
   1283       1.0841     -0.00000
   1284       1.1203     -0.00000
   1285       1.1576     -0.00000
   1286       1.1835     -0.00000
   1287       1.2507     -0.00000
   1288       1.3144     -0.00000
   1289       1.3291     -0.00000
   1290       1.3583     -0.00000
   1291       1.4336     -0.00000
   1292       1.5200     -0.00000
   1293       1.5387     -0.00000
   1294       1.5434     -0.00000
   1295       1.5955     -0.00000
   1296       1.6321     -0.00000
   1297       1.6594     -0.00000
   1298       1.7946     -0.00000
   1299       1.8135     -0.00000
   1300       1.8577     -0.00000
   1301       1.8771     -0.00000
   1302       1.9043     -0.00000
   1303       1.9168     -0.00000
   1304       1.9709     -0.00000
   1305       1.9901     -0.00000
   1306       2.0363     -0.00000
   1307       2.0485     -0.00000
   1308       2.0576     -0.00000
   1309       2.0735     -0.00000
   1310       2.0786     -0.00000
   1311       2.1107     -0.00000
   1312       2.1279     -0.00000
   1313       2.1537     -0.00000
   1314       2.1565     -0.00000
   1315       2.1853     -0.00000
   1316       2.1977     -0.00000
   1317       2.2427     -0.00000
   1318       2.2518     -0.00000
   1319       2.2681     -0.00000
   1320       2.3337     -0.00000
   1321       2.3462     -0.00000
   1322       2.3696     -0.00000
   1323       2.4052     -0.00000
   1324       2.4210     -0.00000
   1325       2.4493     -0.00000
   1326       2.4666     -0.00000
   1327       2.4880     -0.00000
   1328       2.5093     -0.00000
   1329       2.5161     -0.00000
   1330       2.5399     -0.00000
   1331       2.5620     -0.00000
   1332       2.5772     -0.00000
   1333       2.5990     -0.00000
   1334       2.6066     -0.00000
   1335       2.6151     -0.00000
   1336       2.6361     -0.00000
   1337       2.6416     -0.00000
   1338       2.6516     -0.00000
   1339       2.6849     -0.00000
   1340       2.6935     -0.00000
   1341       2.7049     -0.00000
   1342       2.7144     -0.00000
   1343       2.7366     -0.00000
   1344       2.7904     -0.00000
   1345       2.8549     -0.00000
   1346       2.9245     -0.00000
   1347       2.9576     -0.00000
   1348       2.9983     -0.00000
   1349       3.0248     -0.00000
   1350       3.0434     -0.00000
   1351       3.0531     -0.00000
   1352       3.0763     -0.00000
   1353       3.0850     -0.00000
   1354       3.1186     -0.00000
   1355       3.1305     -0.00000
   1356       3.1559     -0.00000
   1357       3.1926     -0.00000
   1358       3.2062     -0.00000
   1359       3.2225     -0.00000
   1360       3.2646     -0.00000
   1361       3.3221     -0.00000
   1362       3.4293     -0.00000
   1363       3.4800     -0.00000
   1364       3.5411     -0.00000
   1365       3.6162     -0.00000
   1366       3.6374     -0.00000
   1367       3.7123     -0.00000
   1368       3.7176     -0.00000
   1369       3.7631     -0.00000
   1370       3.7731     -0.00000
   1371       3.7818     -0.00000
   1372       3.8226     -0.00000
   1373       3.8331     -0.00000
   1374       3.8530     -0.00000
   1375       3.8779      0.00000
   1376       3.8915      0.00000
   1377       3.9089      0.00000
   1378       3.9301      0.00000
   1379       3.9491      0.00000
   1380       3.9604      0.00000
   1381       3.9719      0.00000
   1382       3.9789      0.00000
   1383       3.9874      0.00000
   1384       4.0108      0.00000
   1385       4.0288      0.00000
   1386       4.0382      0.00000
   1387       4.0525      0.00000
   1388       4.0651      0.00000
   1389       4.0936      0.00000
   1390       4.0997      0.00000
   1391       4.1135      0.00000
   1392       4.1295      0.00000
   1393       4.1385      0.00000
   1394       4.1493      0.00000
   1395       4.1618      0.00000
   1396       4.1633      0.00000
   1397       4.1709      0.00000
   1398       4.1914      0.00000
   1399       4.1991      0.00000
   1400       4.2174      0.00000
   1401       4.2337      0.00000
   1402       4.2485      0.00000
   1403       4.2636      0.00000
   1404       4.2720      0.00000
   1405       4.2935      0.00000
   1406       4.3112      0.00000
   1407       4.3235      0.00000
   1408       4.3360      0.00000
   1409       4.3452      0.00000
   1410       4.3563      0.00000
   1411       4.3718      0.00000
   1412       4.3965      0.00000
   1413       4.3997      0.00000
   1414       4.4098      0.00000
   1415       4.4193      0.00000
   1416       4.4479      0.00000
   1417       4.4519      0.00000
   1418       4.4731      0.00000
   1419       4.4787      0.00000
   1420       4.4919      0.00000
   1421       4.5011      0.00000
   1422       4.5077      0.00000
   1423       4.5268      0.00000
   1424       4.5402      0.00000
   1425       4.5674      0.00000
   1426       4.5859      0.00000
   1427       4.6015      0.00000
   1428       4.6150      0.00000
   1429       4.6244      0.00000
   1430       4.6441      0.00000
   1431       4.6525      0.00000
   1432       4.6934      0.00000
   1433       4.6971      0.00000
   1434       4.7117      0.00000
   1435       4.7430      0.00000
   1436       4.7878      0.00000
   1437       4.8047      0.00000
   1438       4.8282      0.00000
   1439       4.8425      0.00000
   1440       4.8626      0.00000
   1441       4.8820      0.00000
   1442       4.8858      0.00000
   1443       4.9114      0.00000
   1444       4.9372      0.00000
   1445       4.9462      0.00000
   1446       4.9683      0.00000
   1447       4.9811      0.00000
   1448       4.9872      0.00000
   1449       4.9982      0.00000
   1450       5.0145      0.00000
   1451       5.0228      0.00000
   1452       5.0389      0.00000
   1453       5.0591      0.00000
   1454       5.0844      0.00000
   1455       5.0993      0.00000
   1456       5.1179      0.00000
   1457       5.1336      0.00000
   1458       5.1396      0.00000
   1459       5.1453      0.00000
   1460       5.1705      0.00000
   1461       5.1822      0.00000
   1462       5.2044      0.00000
   1463       5.2144      0.00000
   1464       5.2263      0.00000
   1465       5.2391      0.00000
   1466       5.2483      0.00000
   1467       5.2625      0.00000
   1468       5.2996      0.00000
   1469       5.3050      0.00000
   1470       5.3174      0.00000
   1471       5.3243      0.00000
   1472       5.3405      0.00000
   1473       5.3440      0.00000
   1474       5.3540      0.00000
   1475       5.3644      0.00000
   1476       5.3680      0.00000
   1477       5.3837      0.00000
   1478       5.3862      0.00000
   1479       5.4074      0.00000
   1480       5.4185      0.00000
   1481       5.4278      0.00000
   1482       5.4338      0.00000
   1483       5.4419      0.00000
   1484       5.4548      0.00000
   1485       5.4646      0.00000
   1486       5.4723      0.00000
   1487       5.4766      0.00000
   1488       5.4933      0.00000
   1489       5.4964      0.00000
   1490       5.5075      0.00000
   1491       5.5138      0.00000
   1492       5.5228      0.00000
   1493       5.5248      0.00000
   1494       5.5371      0.00000
   1495       5.5486      0.00000
   1496       5.5565      0.00000
   1497       5.5629      0.00000
   1498       5.5700      0.00000
   1499       5.5846      0.00000
   1500       5.5902      0.00000
   1501       5.6066      0.00000
   1502       5.6117      0.00000
   1503       5.6284      0.00000
   1504       5.6376      0.00000
   1505       5.6389      0.00000
   1506       5.6555      0.00000
   1507       5.6617      0.00000
   1508       5.6656      0.00000
   1509       5.6810      0.00000
   1510       5.6919      0.00000
   1511       5.6942      0.00000
   1512       5.7074      0.00000
   1513       5.7099      0.00000
   1514       5.7259      0.00000
   1515       5.7328      0.00000
   1516       5.7484      0.00000
   1517       5.7577      0.00000
   1518       5.7616      0.00000
   1519       5.7794      0.00000
   1520       5.7927      0.00000
   1521       5.7982      0.00000
   1522       5.8112      0.00000
   1523       5.8171      0.00000
   1524       5.8281      0.00000
   1525       5.8322      0.00000
   1526       5.8354      0.00000
   1527       5.8456      0.00000
   1528       5.8598      0.00000
   1529       5.8741      0.00000
   1530       5.8861      0.00000
   1531       5.8948      0.00000
   1532       5.9050      0.00000
   1533       5.9134      0.00000
   1534       5.9348      0.00000
   1535       5.9349      0.00000
   1536       5.9383      0.00000
   1537       5.9490      0.00000
   1538       5.9598      0.00000
   1539       5.9767      0.00000
   1540       5.9802      0.00000
   1541       5.9885      0.00000
   1542       5.9924      0.00000
   1543       6.0007      0.00000
   1544       6.0143      0.00000
   1545       6.0157      0.00000
   1546       6.0335      0.00000
   1547       6.0409      0.00000
   1548       6.0472      0.00000
   1549       6.0589      0.00000
   1550       6.0723      0.00000
   1551       6.0835      0.00000
   1552       6.0903      0.00000
   1553       6.0934      0.00000
   1554       6.1043      0.00000
   1555       6.1058      0.00000
   1556       6.1176      0.00000
   1557       6.1212      0.00000
   1558       6.1328      0.00000
   1559       6.1350      0.00000
   1560       6.1456      0.00000
   1561       6.1493      0.00000
   1562       6.1560      0.00000
   1563       6.1782      0.00000
   1564       6.1858      0.00000
   1565       6.1928      0.00000
   1566       6.1979      0.00000
   1567       6.2100      0.00000
   1568       6.2163      0.00000
   1569       6.2231      0.00000
   1570       6.2302      0.00000
   1571       6.2388      0.00000
   1572       6.2450      0.00000
   1573       6.2584      0.00000
   1574       6.2678      0.00000
   1575       6.2748      0.00000
   1576       6.2878      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.087  13.411  -0.001   0.001   0.000   0.003  -0.004   0.000
 13.411  17.830  -0.001   0.002   0.000   0.004  -0.006   0.000
 -0.001  -0.001  -4.232   0.003   0.001   8.276  -0.004  -0.001
  0.001   0.002   0.003  -4.231   0.001  -0.004   8.275  -0.001
  0.000   0.000   0.001   0.001  -4.224  -0.001  -0.001   8.266
  0.003   0.004   8.276  -0.004  -0.001 -18.315   0.007   0.001
 -0.004  -0.006  -0.004   8.275  -0.001   0.007 -18.311   0.001
  0.000   0.000  -0.001  -0.001   8.266   0.001   0.001 -18.305
 total augmentation occupancy for first ion, spin component:           1
  8.551  -3.863   0.132   0.134  -0.051   0.015   0.025  -0.008
 -3.863   1.819  -0.065  -0.093   0.029  -0.006  -0.015   0.004
  0.132  -0.065   1.804  -0.059  -0.037   0.172  -0.011  -0.007
  0.134  -0.093  -0.059   1.906  -0.073  -0.011   0.178  -0.010
 -0.051   0.029  -0.037  -0.073   1.221  -0.007  -0.010   0.081
  0.015  -0.006   0.172  -0.011  -0.007   0.018  -0.002  -0.001
  0.025  -0.015  -0.011   0.178  -0.010  -0.002   0.018  -0.001
 -0.008   0.004  -0.007  -0.010   0.081  -0.001  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -53331.49282105166.95196 30618.89312-12527.90973  6809.65460 23468.43879
  Hartree  2038.95113132004.07245 68881.23834-12840.08740  4735.47553 17932.01130
  E(xc)  -10740.37155-10595.59806-10639.28786     2.48145     8.16727    30.92695
  Local   17888.98715************************ 25359.31780-11568.89279-40840.36814
  n-local -5857.30606 -5982.60324 -6040.81202     5.05377    15.64102   -60.32721
  augment  1490.37889  1537.92807  1486.47495     4.93098    13.20395    -1.43930
  Kinetic 45559.83641 43240.27359 43764.66032   -29.50558   -80.54833  -535.75159
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -43.1581314   -403.9852268    -92.3174725    -25.7187057    -67.2987473     -6.5091990
  in kB       -7.1969639    -67.3677702    -15.3946775     -4.2888000    -11.2226048     -1.0854610
  external PRESSURE =     -29.9864705 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.265E+03 -.123E+03 0.252E+03   0.265E+03 0.124E+03 -.253E+03   -.540E-01 -.487E+00 0.152E+01   -.142E-02 -.273E-03 -.639E-03
   -.220E+03 -.145E+03 0.524E+02   0.220E+03 0.147E+03 -.521E+02   0.245E+00 -.114E+01 -.528E+00   -.137E-02 -.311E-03 -.657E-03
   -.189E+03 -.129E+03 0.452E+01   0.189E+03 0.130E+03 -.307E+01   0.350E+00 -.130E+01 -.170E+01   -.141E-02 -.430E-03 -.587E-03
   -.244E+03 -.107E+03 0.349E+03   0.244E+03 0.107E+03 -.351E+03   -.230E+00 -.718E-01 0.247E+01   -.131E-02 -.492E-03 -.424E-03
   -.196E+03 -.154E+03 0.312E+03   0.196E+03 0.155E+03 -.313E+03   0.247E+00 -.851E+00 0.109E+01   -.110E-02 -.151E-03 -.539E-03
   -.173E+03 -.119E+03 0.172E+03   0.173E+03 0.119E+03 -.172E+03   0.108E+00 0.198E-01 0.105E+00   -.125E-02 -.367E-04 -.686E-03
   -.277E+03 -.133E+03 0.187E+03   0.277E+03 0.137E+03 -.188E+03   0.359E+00 -.455E+01 0.668E+00   -.127E-02 -.667E-03 -.986E-03
   -.200E+03 -.119E+03 0.257E+02   0.200E+03 0.123E+03 -.271E+02   -.431E+00 -.398E+01 0.202E+01   -.127E-02 -.310E-03 -.489E-03
   -.124E+03 0.833E+01 0.203E+03   0.124E+03 -.845E+01 -.203E+03   0.153E+00 -.207E-01 -.302E-01   -.125E-02 -.815E-04 -.666E-03
   -.996E+02 0.898E+02 0.676E+02   0.993E+02 -.911E+02 -.666E+02   0.485E+00 0.138E+01 -.129E+01   -.149E-02 0.328E-03 -.435E-03
   -.111E+03 0.119E+03 0.139E+03   0.111E+03 -.121E+03 -.139E+03   0.239E+00 0.972E+00 -.220E+00   -.144E-02 0.426E-03 -.255E-03
   -.129E+03 0.663E+01 0.340E+03   0.129E+03 -.706E+01 -.341E+03   -.912E-01 0.434E+00 0.119E+01   -.987E-03 -.192E-03 -.352E-03
   -.133E+03 -.287E+02 0.374E+03   0.133E+03 0.296E+02 -.376E+03   -.194E+00 -.905E+00 0.234E+01   -.900E-03 0.268E-03 -.181E-03
   -.136E+03 0.403E+02 0.315E+03   0.136E+03 -.408E+02 -.316E+03   0.910E-02 -.167E-01 0.164E+01   -.120E-02 0.247E-03 -.357E-03
   -.139E+03 0.112E+03 0.282E+03   0.139E+03 -.114E+03 -.285E+03   0.503E+00 0.420E+01 0.216E+01   -.110E-02 0.366E-03 -.347E-03
   -.107E+03 0.130E+03 0.106E+03   0.107E+03 -.133E+03 -.109E+03   0.245E+00 0.302E+01 0.332E+01   -.124E-02 0.366E-03 -.193E-03
   -.104E+03 0.123E+03 0.638E+02   0.105E+03 -.118E+03 -.594E+02   -.610E+00 -.487E+01 -.391E+01   -.145E-02 -.585E-04 -.252E-03
   -.322E+02 0.209E+03 -.153E+03   0.314E+02 -.212E+03 0.155E+03   0.564E+00 0.141E+01 -.208E+01   -.159E-02 0.236E-04 -.274E-03
   0.157E+01 0.154E+03 -.209E+03   -.201E+01 -.154E+03 0.212E+03   0.363E+00 0.139E+00 -.189E+01   -.135E-02 0.321E-05 -.152E-03
   -.903E+02 0.129E+03 0.194E+03   0.913E+02 -.128E+03 -.197E+03   -.999E+00 -.997E+00 0.325E+01   -.165E-02 -.248E-03 -.462E-03
   -.207E+02 0.866E+02 -.670E+01   0.192E+02 -.883E+02 0.810E+01   0.140E+01 0.157E+01 -.969E+00   -.143E-02 0.267E-03 0.135E-03
   -.305E+02 0.160E+02 -.150E+03   0.307E+02 -.160E+02 0.151E+03   -.315E+00 0.294E+00 -.767E+00   -.125E-02 0.390E-03 -.181E-04
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 -----------------------------------------------------------------------------------------------
   0.145E+02 0.743E+01 0.896E+01   0.115E-11 0.296E-11 0.978E-11   -.145E+02 -.746E+01 -.894E+01   0.987E-02 0.243E-01 -.130E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.96536      3.15331      1.40541        -0.028838      0.504808      0.114573
     12.76420      3.57454      2.71826         0.100412      0.238677     -0.304030
     12.72187      4.95038      3.03774         0.066042     -0.221505     -0.245080
     12.99205      4.07882      0.36793        -0.030041     -0.099752      0.025644
     12.92646      5.43733      0.67674         0.029489     -0.013274      0.050203
     12.84795      5.92733      2.00737         0.061710      0.224665     -0.053889
     13.08084      1.68710      1.37316         0.186660     -0.637892     -0.990649
     12.59051      2.32840      3.53686        -0.152518      0.234359      0.582974
     12.94524      7.43349      2.24615         0.145079     -0.141441     -0.285288
     12.91485      8.04304      3.52921         0.165875      0.083615     -0.231760
     13.22509      9.40527      3.66827        -0.013816     -0.141974     -0.353214
     13.17526      8.30718      1.14069         0.048020     -0.002293      0.037527
     13.39481      9.68337      1.28073        -0.109234     -0.034840     -0.041450
     13.44028     10.22291      2.56172         0.033284     -0.569968      0.051439
     13.66423     11.60175      3.01888         0.152923      1.457697     -0.678596
     13.37653     10.25107      4.88382        -0.251482     -0.277235      0.478087
     13.73271     12.74246      5.30629        -0.113021      0.072583      0.425776
     13.41698     12.65906      6.66890        -0.195923     -0.663866     -0.059039
     13.42413     13.76128      7.51230        -0.084066      0.039847      0.294825
     14.03499     14.03555      4.85929        -0.062085     -0.365372      0.109862
     14.03758     15.13877      5.72563        -0.066599     -0.050243      0.437151
     13.77228     15.07209      7.14035        -0.141400      0.250673      0.307593
     13.81394     16.21527      8.21443        -0.013780     -0.341021     -0.112258
     13.26639     16.15477      9.55570        -0.016928      0.074813     -0.080813
     13.36232     17.25567     10.43335         0.093662      0.042768     -0.115345
     14.38883     17.48160      7.93278         0.128731     -0.310062     -0.057426
     14.39828     18.58656      8.77965         0.134277     -0.023675     -0.069695
     13.91372     18.47880     10.06923        -0.013905     -0.079901      0.103293
     12.49755     15.01408     10.20089         0.030945      0.284262      0.238968
     14.56795     16.35956      5.06500        -0.330016      0.125844      0.379490
      9.66947      3.85722      4.79376         0.165425      0.351983      0.145328
      9.76803      4.78982      3.77472        -0.022221      0.091205      0.161662
      9.92047      6.15140      4.08762        -0.031513     -0.169372      0.096678
      9.69417      4.23824      6.12941         0.145684     -0.065202     -0.283453
      9.75953      5.58625      6.44752         0.164425      0.152302     -0.100342
      9.90460      6.58087      5.44141        -0.003755      0.122241      0.158731
      9.47802      2.51369      4.24225         0.084087     -0.307382      0.073708
      9.69421      4.03836      2.48121         0.073483      0.114554     -0.556530
     10.01358      8.03320      5.83246        -0.029742     -0.175897      0.038195
     10.19809      9.04294      4.85883        -0.002955      0.148957      0.101881
     10.27496     10.37828      5.24601        -0.235058     -0.114187      0.194248
      9.90704      8.44787      7.19015         0.051215      0.018883     -0.218448
      9.98287      9.79205      7.57339         0.182850      0.053598     -0.198199
     10.16484     10.75558      6.58205         0.110343     -0.489238     -0.190700
     10.28036     12.21412      6.66180         0.020797      0.882332      1.162501
     10.42557     11.61895      4.43528         0.144069     -0.327195     -0.528347
     10.79472     14.07866      4.99732         0.251279      0.326474     -0.075442
     11.31249     14.41601      3.74460         0.020601     -0.150494     -0.243354
     11.72376     15.71301      3.44604         0.029275      0.252030     -0.170350
     10.75721     15.14139      5.92041        -0.153129     -0.102820     -0.183330
     11.05938     16.48223      5.57951         0.165594     -0.179246     -0.257583
     11.57643     16.85118      4.26623         0.114812      0.056703     -0.088556
     12.03446     18.24928      3.73685        -0.075843     -0.069054     -0.066856
     12.54077     18.65083      2.42633         0.053514      0.002450      0.168998
     12.76184     20.00918      2.10325         0.123183     -0.001472      0.048635
     11.93265     19.35401      4.60376        -0.168932     -0.274671      0.142689
     12.17361     20.68154      4.29038        -0.106858      0.420436     -0.000090
     12.56828     21.06482      3.00936         0.077742     -0.099249      0.160693
     12.90497     17.76091      1.22925        -0.025652     -0.006279     -0.065792
     10.80810     17.41387      6.74894        -0.197684     -0.113006      0.182852
     10.28911      7.11376     14.62072        -0.001322      0.588348      0.189212
     10.16203      7.54147     15.94164         0.108834      0.474206     -0.362852
     10.16582      8.92959     16.26303         0.065952     -0.598192     -0.182440
     10.29699      8.06968     13.59360         0.023469     -0.166589      0.091733
     10.27887      9.43599     13.90540         0.056654     -0.210621      0.407347
     10.27402      9.92057     15.24707        -0.050222      0.331971     -0.036748
     10.31486      5.63029     14.61459         0.483512     -1.635006     -2.149640
      9.94451      6.30254     16.76257        -0.114615      0.103991      1.919449
     10.34421     11.44356     15.52384         0.126830     -0.145911     -0.086057
     10.29662     12.02327     16.83212         0.216954      0.065253     -0.238741
     10.49866     13.41064     17.01724         0.049507     -0.192421     -0.416954
     10.51161     12.36180     14.43926         0.053869     -0.071996      0.169074
     10.67036     13.74384     14.62495        -0.096556     -0.074203      0.027842
     10.68311     14.25519     15.92253         0.014617     -0.421912     -0.037611
     10.81069     15.65299     16.38903         0.091404      0.816980     -0.665556
     10.51938     14.27970     18.24483        -0.077458     -0.484546      0.530575
     10.66346     16.84351     18.64431        -0.080379      0.026222      0.091773
     10.20185     16.78872     19.95903        -0.159381     -0.387930     -0.036124
      9.99242     17.93000     20.73010        -0.188589      0.142951      0.269085
     10.96436     18.15116     18.19283         0.014763     -0.292959      0.147688
     10.88162     19.28411     19.03190         0.073573     -0.024010      0.398419
     10.37356     19.24508     20.39352        -0.138447      0.102053      0.215826
     10.17596     20.40367      0.17969         0.070094     -0.158112     -0.177999
      9.62994     20.31799      1.52798         0.148632     -0.102824     -0.079314
      9.50551      0.19397      2.35651        -0.195041      0.047557     -0.224643
     10.54854      0.48650     21.14849        -0.072362     -0.035747      0.120310
     10.20412      1.62527      0.62767         0.314162      0.227046     -0.058221
      9.70240      1.51429      1.92287         0.016630     -0.161961     -0.108112
      9.08380     19.08983      2.26529         0.306502      0.233933      0.167162
     11.38270     20.54500     18.38235        -0.025705      0.021860      0.135079
      7.04808      7.64454     17.50778         0.311217      0.451003      0.004233
      7.12052      8.59362     16.49763        -0.075283      0.001891     -0.013136
      7.24922      9.95893     16.80013         0.080199     -0.054968     -0.003247
      7.13649      8.02736     18.84479         0.215414     -0.112251     -0.192916
      7.17631      9.38646     19.15412         0.144278      0.129189     -0.058862
      7.23335     10.39910     18.15130         0.069292      0.051078     -0.044549
      6.80176      6.32110     16.91307         0.180433     -1.041883      0.753036
      7.01953      7.84991     15.19160         0.371615      0.406150     -0.519476
      7.26659     11.86771     18.53657        -0.083879     -0.265865      0.013827
      7.41649     12.93647     17.61143        -0.095425      0.232616      0.087772
      7.36366     14.26841     18.05816        -0.181920     -0.302637      0.129433
      7.12532     12.22095     19.89953         0.076381      0.008549     -0.183835
      7.12191     13.54242     20.34188         0.182810      0.127818     -0.128374
      7.20032     14.57029     19.40795         0.108273     -0.473475     -0.192341
      7.20134     16.02849     19.57618        -0.099199      0.755882      1.194373
      7.49366     15.56914     17.33470         0.068376     -0.203151     -0.773447
      7.59612     18.02565     18.05584         0.230395      0.316945     -0.102145
      8.29281     18.44260     16.91787         0.009704     -0.327633     -0.199293
      8.62859     19.77207     16.70932         0.112176      0.202672     -0.166312
      7.29351     19.06298     18.96362        -0.221876     -0.110011     -0.134301
      7.45337     20.43430     18.62830         0.194119     -0.141640     -0.008293
      8.16836     20.87372     17.44963         0.199138     -0.017054     -0.181442
      8.62792      1.01351     16.96400         0.041078      0.176602      0.080165
      9.15141      1.34393     15.64946         0.130156      0.215345      0.264695
      9.54294      2.67600     15.33408         0.204170      0.350875     -0.000542
      8.64861      2.13782     17.83869        -0.201225     -0.401555     -0.059909
      9.07721      3.42697     17.52505         0.050741      0.377553      0.046146
      9.53586      3.76046     16.24333         0.277212     -0.063135     -0.039568
      9.52618      0.42517     14.46575         0.286502     -1.055941     -0.503571
      6.91423      0.10292     19.68652        -0.346548     -0.179386     -0.027059
      6.96854     10.86384      6.11577         0.029802      0.483400      0.114589
      6.80340     11.31992      7.41966         0.114789      0.182132     -0.263154
      6.91882     12.68513      7.73235        -0.051418     -0.184163     -0.033132
      7.29751     11.74892      5.09281        -0.108983     -0.131948      0.131853
      7.42201     13.10282      5.40416        -0.151011      0.089493      0.137498
      7.21175     13.62806      6.71104        -0.095992      0.153379     -0.031322
      6.92042      9.39667      6.10968         0.016157     -0.439140     -0.532651
      6.65855     10.10533      8.28047        -0.028332      0.156018      0.735930
      7.31047     15.12669      6.94587        -0.088532     -0.021206     -0.068197
      7.09348     15.76779      8.19556         0.042527      0.079511      0.001648
      7.21581     17.16886      8.31341         0.050133     -0.133921     -0.321952
      7.64579     15.97823      5.85554        -0.143484     -0.127251      0.081557
      7.66824     17.36547      5.95523        -0.093453      0.086526      0.140063
      7.45930     17.96640      7.20248        -0.088063     -0.452737      0.010685
      7.68248     19.36434      7.64809         0.071439      0.599892     -0.347357
      7.28544     18.06126      9.51077        -0.100113     -0.481172      1.062284
      7.62100     20.58319      9.91366        -0.198633      0.223033      0.401866
      7.14079     20.56471     11.23326         0.004879     -0.393072     -0.137343
      6.97365      0.45593     12.00361         0.137690      0.313945      0.193057
      8.01066      0.61274      9.50687         0.094565     -0.315527     -0.159940
      8.05813      1.72327     10.38967        -0.004845      0.115649      0.073458
      7.50075      1.74712     11.71466         0.053630      0.032445      0.283551
      7.43483      2.95128     12.76186        -0.206439     -0.336494      0.409715
      6.88655      2.88107     14.12655         0.503970      0.337864     -0.663894
      6.76439      4.02133     14.96022        -0.102542     -0.171671     -0.484765
      7.88948      4.27934     12.51192        -0.148723      0.013204      0.053911
      7.64473      5.42304     13.30214         0.164772      0.095589      0.172987
      7.07383      5.33560     14.57855         0.081530     -0.259759     -0.226563
      6.22855      1.68436     14.77424        -0.397615      0.143756      0.418502
      8.77010      2.89718      9.78766        -0.117309     -0.331786      0.047963
      4.06310     11.49423     10.75324         0.093017      0.330664     -0.204351
      3.79324     12.36465      9.70115         0.197610     -0.018032      0.188573
      3.84179     13.74542      9.87333         0.174139      0.034780      0.035002
      4.40006     11.98511     12.00774         0.067628      0.076284     -0.262671
      4.45025     13.37081     12.18924         0.100932      0.145177     -0.159673
      4.18503     14.29203     11.13492         0.129953      0.154562      0.038855
      3.84284     10.11420     10.29527         0.173259     -0.738720      0.480184
      3.41342     11.54843      8.52026        -0.052797      0.274930     -0.609816
      4.27994     15.79036     11.34722         0.040600     -0.191787     -0.003119
      4.07899     16.73168     10.30261        -0.062807      0.289731      0.022808
      4.12824     18.11412     10.57487         0.029749     -0.090928      0.036259
      4.64191     16.30005     12.61945         0.011447     -0.080919     -0.270274
      4.76343     17.66375     12.86787         0.048795      0.055557     -0.144804
      4.41057     18.56118     11.86021         0.097425     -0.078888     -0.112080
      4.32612     20.04063     11.89264         0.067771     -1.325161     -1.880122
      4.12697     19.34447      9.68491        -0.049693     -0.156184      1.008436
      4.42719      0.64030     10.14906        -0.028439      0.121063     -0.179624
      4.80112      0.97304      8.84428        -0.017323     -0.311735     -0.200260
      5.19358      2.26416      8.48471         0.176566      0.121898     -0.006064
      4.36801      1.75916     11.00601        -0.073080      0.120562     -0.160986
      4.70872      3.10410     10.63370         0.232308     -0.327927     -0.201686
      5.29385      3.40543      9.32711         0.123511      0.106386     -0.236788
      5.92939      4.78408      8.73657        -0.142486     -0.040684      0.335299
      6.46467      5.09649      7.42507        -0.239453     -0.044070      0.100292
      6.72006      6.43463      6.99179        -0.021922      0.098254      0.249205
      5.88163      5.95471      9.51911        -0.216709     -0.632491      0.550926
      6.16988      7.24421      9.13089         0.159020      0.865816      0.250374
      6.54048      7.56169      7.82644         0.172416     -0.341833      0.103168
      6.55792      4.05506      6.32360         0.112181      0.028060      0.111142
      4.44626      4.04222     11.81923        -0.078247     -0.147090      0.156309
      1.07905     14.30698      0.81468         0.034668      0.241056      0.278623
      1.66639     14.72926      2.00862        -0.122864      0.011658     -0.317574
      1.66365     16.11697      2.33501        -0.129864     -0.276129     -0.271381
      0.64045     15.20994     21.11153         0.048707     -0.403114     -0.107239
      0.71189     16.55818      0.13642        -0.044025      0.225044      0.252531
      1.12925     17.06507      1.39397        -0.081513      0.019569      0.223746
      1.06108     12.83653      0.75373        -0.234278     -0.053847     -0.245293
      2.28452     13.45712      2.59907         0.741145      0.086338      1.322679
      0.98112     18.57240      1.60111         0.130183     -0.300964     -0.005887
      1.34223     19.26235      2.78820        -0.039750      0.141029     -0.198474
      1.17549     20.65580      2.84396        -0.057335     -0.187898     -0.185325
      0.49587     19.36720      0.51879         0.053601     -0.210783      0.069924
      0.32887     20.74240      0.58616         0.006710      0.072799      0.270190
      0.64787      0.11663      1.77956        -0.042195     -0.470822     -0.219632
      0.63476      1.54458      2.08836        -0.086960      0.849468     -0.152329
      1.59332      0.38719      3.86816         0.399723     -0.053250      0.720730
      1.41794      2.95358      4.04384         0.043178     -0.056364      0.266513
      1.97379      2.96085      5.31534         0.104199     -0.342266     -0.000470
      2.11139      4.12305      6.05048         0.123676     -0.140183      0.095086
      1.00209      4.21366      3.58848        -0.084095     -0.040093     -0.015934
      1.16450      5.39003      4.35597        -0.123060      0.083355      0.028256
      1.79792      5.44459      5.63915         0.086844      0.292039      0.371541
      2.14441      6.71569      6.50466        -0.134863     -0.183091     -0.212419
      2.62756      6.65842      7.84916        -0.271568      0.322106     -0.458931
      3.11762      7.74694      8.58822        -0.067870      0.380874     -0.487897
      2.09600      8.07972      6.07537        -0.036618     -0.299108     -0.121784
      2.56865      9.17425      6.79951         0.006476      0.594648      0.175841
      3.09834      9.05645      8.09876        -0.093668     -0.279270     -0.186848
      2.85622      5.38594      8.54893         0.771074     -0.331848      0.253721
      0.49760      6.58068      3.72858         0.237367     -0.169475     -0.159277
      4.70264     14.08728      0.67875        -0.156859      0.399210      0.092409
      4.04364     14.99531     -0.14642         0.130740      0.123706      0.143033
      4.03232     16.38528      0.18099         0.068135     -0.100742      0.054869
      5.39941     14.53818      1.79753        -0.123360      0.061133      0.075943
      5.41183     15.90313      2.10393        -0.088585     -0.001007     -0.091905
      4.71483     16.88862      1.34731        -0.074256      0.026186     -0.139175
      4.53188     12.70745      0.16388         0.506587     -0.712287      0.738202
      3.46675     14.15089     19.98053        -0.635756      0.512312     -0.826966
      4.76303     18.37102      1.82673        -0.052072     -0.237994     -0.204630
      4.10759     19.47313      1.19198         0.115934      0.046456      0.022190
      4.26731     20.79338      1.67648         0.174006     -0.134187      0.129732
      5.54284     18.70490      2.97153        -0.159143     -0.000277     -0.114385
      5.70598     20.01050      3.44537        -0.064248     -0.086512      0.036287
      5.06189     21.05003      2.78971        -0.086897     -0.216513     -0.142966
      5.10451      1.24713      3.06063         0.316286      0.320373      0.338525
      3.77433      0.87949      1.20570        -0.420378      0.064241     -0.783355
      3.98068      3.33862      2.06818        -0.333812     -0.220663     -0.315432
      3.07720      3.91975      1.15938         0.105357     -0.086474      0.195910
      2.75781      5.29158      1.16561         0.115415     -0.113482     -0.166049
      4.43811      4.26251      3.01171         0.249631     -0.031337     -0.003986
      4.19407      5.65076      2.91414        -0.247788      0.277046     -0.235199
      3.38816      6.32302      1.95208        -0.040268      0.251692     -0.365224
      3.15977      7.98097      1.86366         0.024155     -0.061070     -0.064555
      2.20845      8.58473      0.98414        -0.385471     -0.161961     -0.173767
      1.86986      9.95212      0.91392        -0.060782     -0.005298      0.200075
      3.71802      9.04090      2.68426         0.338014     -0.178650     -0.244962
      3.30880     10.39247      2.71856        -0.154666      0.245711     -0.134069
      2.35245     10.91482      1.81425         0.248391     -0.110980      0.394091
      1.41746      7.72105      0.03599        -0.161351      0.518546      0.090061
      4.86314      6.43223      3.97361        -0.338798      0.279554     -0.510292
     18.17561     17.31432     13.51090         0.133268      0.474522      0.092281
     19.22486     17.80096     14.28907        -0.285055      0.162822      0.062888
     19.48450     19.17703     14.39390        -0.197010     -0.161817      0.109344
     17.38488     18.20315     12.78069         0.164982     -0.025610      0.092012
     17.62516     19.57947     12.91055        -0.024802     -0.014381      0.055088
     18.66068     20.12229     13.72834        -0.245364      0.091183      0.012488
     18.14180     15.84247     13.61633        -0.983730     -0.900309     -0.492080
     19.89956     16.61824     14.91713         0.063315      0.332585      0.015175
     18.78679      0.36920     13.94577        -0.350368     -0.121591     -0.025548
     19.78539      0.95843     14.76369        -0.098779      0.178322      0.201574
     19.73660      2.32414     15.09809        -0.322828     -0.124041     -0.246785
     17.79483      1.25355     13.43182         0.099310     -0.081672      0.117759
     17.78756      2.62789     13.70304         0.132911      0.032394      0.057912
     18.76821      3.16394     14.54525         0.002305     -0.647960      0.030295
     18.98390      4.53274     15.05777        -0.521957      0.960306     -0.185915
     20.52343      3.14193     16.08054         0.344245     -0.356333      0.342847
     20.64325      5.64218     16.65207        -0.039370      0.321614     -0.134678
      0.68882      5.61444     17.13934         0.408314     -0.217132     -0.001328
      1.36420      6.79036     17.49380         0.082412     -0.171809      0.083229
     20.04793      6.91850     16.70213         0.220261      0.080053      0.401038
     20.64323      8.04602     17.34400         0.395354     -0.557028     -0.269974
      0.78894      8.05265     17.73177        -0.149657      0.293637      0.384027
      1.67088      9.20079     18.38285         0.370011      0.027864      0.138372
      3.00900      9.11690     18.97124        -0.337590     -0.487480     -0.217344
      3.66838     10.22179     19.60129        -0.098897      0.146343     -0.230896
      1.16931     10.50484     18.58503        -0.647254      0.088007     -0.118912
      1.85366     11.62081     19.07628         0.486538     -0.203482      0.382913
      3.14659     11.53165     19.62271        -0.877394      0.361232     -0.188521
      4.00884      7.93236     18.86487        -0.475946     -0.079647      0.182590
     19.65107      9.16795     17.53319         0.491011     -0.100247      0.255225
      2.02501     18.16778     14.10777        -0.073809      0.427197     -0.022257
      1.27953     19.11262     13.40127         0.100233      0.079763      0.411512
      1.35151     20.46535     13.73670         0.301835      0.048566     -0.019727
      2.97640     18.56735     15.05206        -0.329046      0.148824      0.002733
      3.14435     19.94018     15.29358        -0.169454     -0.040487     -0.120088
      2.27740     20.92323     14.70723         0.339348      0.026809      0.243996
      1.69758     16.83673     13.59261         0.393354     -1.383754      0.270693
      0.46807     18.40010     12.37528        -0.450684      0.043657     -0.399802
      2.43780      1.13907     15.01019         0.211739     -0.298914      0.256707
      1.76849      2.13862     14.27294        -0.012608      0.495760      0.020639
      2.05782      3.49636     14.48487         0.145529     -0.175115      0.260720
      3.35032      1.57651     16.00690        -0.274326     -0.038856     -0.127301
      3.68031      2.92821     16.17503        -0.450999      0.337938     -0.005044
      3.05842      3.88892     15.37320        -0.327920     -0.596861      0.306367
      3.19685      5.36360     15.32660        -0.669754     -0.447951     -0.399874
      1.42456      4.73709     13.97060        -1.285227     -0.019597     -1.071636
      1.66606      7.24567     14.51317        -0.477750      0.271193     -0.047246
      0.37570      7.54561     14.05628        -0.145624      0.026691     -0.055077
     21.07378      8.82195     14.13892        -0.134300      0.070898     -0.017530
      2.33480      8.36376     15.08072        -0.169565      0.020747     -0.281211
      1.78809      9.68177     15.10487        -0.278443     -0.026447     -0.234752
      0.44104      9.99173     14.62587        -0.201494      0.011248     -0.032063
     20.89727     11.34790     14.61038         0.156421     -0.027179     -0.016747
     19.54144     11.64843     14.14197         0.089820     -0.020845      0.079520
     19.04004     12.96632     14.07803         0.030769      0.042189      0.241429
      0.29244     12.54168     14.98269         0.053524     -0.144909     -0.037698
     -0.25736     13.81969     15.04898         0.253910      0.238454      0.008624
     19.72043     14.09057     14.57599         0.179443     -0.125642      0.048135
     18.49876     10.68095     13.58008        -0.053875      0.163046      0.049262
      2.77101     10.70298     15.65402         0.401835     -0.312113     -0.055088
     16.09251      0.41333      5.21210         0.039334      0.452154      0.141052
     16.89176      0.86785      6.25547        -0.136028      0.176837     -0.098769
     16.98172      2.24307      6.54964        -0.098185     -0.223646      0.079351
     15.29713      1.30519      4.50848         0.254135     -0.075288      0.067788
     15.35557      2.66335      4.82164         0.211296      0.052135      0.116611
     16.21862      3.19188      5.81089        -0.018118      0.082133      0.058508
     16.35862     20.24439      4.97058        -0.402980     -0.539059     -0.846487
     17.57423     20.91243      6.81148         0.560560      0.256167      0.660095
     16.27495      4.69861      6.03033        -0.088060     -0.128057      0.031061
     17.11961      5.31862      6.98563        -0.147124      0.097301      0.144710
     17.06490      6.70664      7.19876        -0.330912     -0.016627     -0.130017
     15.41738      5.56999      5.29977         0.075102     -0.168006      0.099904
     15.40319      6.95252      5.48233         0.136056      0.020845      0.136409
     16.24610      7.52579      6.42903        -0.021269     -0.437702      0.019912
     16.41710      8.92992      6.85423        -0.202517      0.708727     -0.196413
     17.64678      7.57440      8.26406         0.423747     -0.343494      0.735795
     17.76828     10.11651      8.65088         0.171190      0.286879      0.261197
     18.81035     10.01902      9.57045        -0.092690     -0.467997     -0.208473
     19.41331     11.13427     10.12723         0.170879      0.213351      0.216075
     17.34043     11.44273      8.41399        -0.147617     -0.218127      0.013877
     17.84038     12.55735      9.12852         0.294637     -0.040035      0.058959
     18.96691     12.46695     10.04459         0.150944      0.153759      0.109314
     19.75080     13.58281     10.82110        -0.368340      0.088704     -0.090702
     21.01019     13.47110     11.54626        -0.177734     -0.161317     -0.197083
      0.40943     14.59002     12.08358        -0.349673      0.082131     -0.290588
     19.26917     14.92265     10.86538         0.106886      0.210112      0.148999
     19.98537     16.04899     11.33289        -0.356284      0.003167     -0.089546
     21.22495     15.90644     11.95947        -0.253790      0.045315      0.000707
      0.66464     12.25780     11.71055         0.145015      0.007470     -0.017716
     17.09206     13.82581      8.78727         0.269355     -0.074551     -0.140583
     20.39655      1.31041      6.11071        -0.131122      0.110509     -0.054280
     19.83111      2.35935      5.38378         0.051954      0.005787      0.187881
     19.85578      3.66263      5.84157        -0.117390      0.108281      0.113493
     20.90519      1.54314      7.38632        -0.111635      0.013171     -0.294075
     20.91214      2.85380      7.86216        -0.176623      0.333113     -0.020154
     20.42333      3.95736      7.10276        -0.086685      0.047425      0.168250
     20.20344      0.06825      5.31916         0.308871     -0.945501      0.452621
     19.12584      1.79339      4.20304        -0.355600      0.470393     -0.425881
     20.50849      5.38467      7.57118        -0.089951     -0.115397      0.068417
     20.12888      6.42864      6.71029        -0.155415      0.277380      0.133879
     20.39806      7.75959      7.03929        -0.055510     -0.024525      0.216227
     -0.23168      5.75943      8.83066        -0.242235     -0.001142     -0.091758
      0.12963      7.07489      9.12685        -0.228064      0.230600      0.048085
     21.09098      8.07579      8.19908        -0.261523     -0.318069      0.058378
      0.09371      9.52401      8.21023         0.068201      0.317885      0.389839
     20.06738      9.04141      6.34171         0.108052     -0.259538      0.377064
     20.44423     11.50375      6.88123        -0.177627      0.377522     -0.112037
     19.56076     11.91488      5.88230        -0.202798     -0.148406     -0.219133
     19.22033     13.24796      5.66935        -0.162448      0.129413     -0.173776
     20.98325     12.56536      7.64199         0.042720     -0.165853     -0.248644
     20.71255     13.92297      7.35474        -0.196806     -0.051858     -0.331082
     19.75466     14.36705      6.35873        -0.152310      0.164642     -0.276722
     19.22552     15.82023      6.06167         0.109419     -0.194857     -0.085642
     18.36226     16.24677      4.98187         0.166525      0.097725     -0.030507
     17.84361     17.56527      4.88695         0.111655      0.023262      0.034355
     19.49684     16.91475      6.92577         0.192142     -0.271247      0.069674
     18.90986     18.17160      6.89774        -0.048726      0.355240      0.141871
     18.01134     18.53559      5.89137         0.138961     -0.171804      0.099011
     17.79507     15.33935      3.90088         0.137037      0.339167     -0.069046
      0.31505     14.86472      8.13848         0.281965     -0.109168      0.054736
     12.56883      5.25558      4.06636         0.006423      0.019333      0.240637
     12.99557      3.73778     20.59363         0.219408      0.027251     -0.128446
     12.94153      6.13026     21.09341        -0.029978     -0.052489      0.091555
     12.64422      7.46522      4.40505         0.079875     -0.142250      0.252486
     13.20346      7.91768      0.11800        -0.035061      0.029105      0.225525
     13.52293     10.32447      0.40705         0.057932     -0.046859     -0.024062
     13.12164     13.53466      8.52565         0.207143      0.007846     -0.101696
     13.11379     11.68856      7.06988         0.178648      0.211955      0.095017
     14.25876     14.20370      3.81578         0.066661     -0.044539     -0.094892
     12.95089     17.16335     11.43320         0.000738     -0.040274      0.022900
     14.80561     17.68543      6.96557         0.154368     -0.130530      0.128595
     14.75836     19.54204      8.38766         0.158080     -0.085694      0.074112
     10.09100      6.86834      3.29597        -0.176578      0.159336     -0.304433
      9.56776      3.48502      6.88627         0.186309     -0.019343      0.087496
      9.65109      5.85961      7.50334         0.216019     -0.007891     -0.232563
     10.29794      8.78280      3.81322        -0.104536      0.042130     -0.264182
      9.72519      7.71577      7.97902         0.102475      0.010221     -0.084948
      9.91901     10.07878      8.62084        -0.072331      0.022186      0.113235
     12.25675     15.80778      2.50606        -0.228759     -0.050539      0.123618
     11.49610     13.64162      3.00520        -0.065170      0.039583     -0.096019
     10.51343     14.90595      6.95136        -0.174375      0.094717     -0.078135
     13.05339     20.23521      1.08244         0.148185      0.073315      0.175208
     11.62131     19.20344      5.62850         0.101165      0.108496     -0.317009
     11.96874      0.18136      5.03627         0.084448      0.012533      0.203240
     10.01436      9.22406     17.29271         0.137755      0.032524      0.370397
     10.23204      7.76190     12.55239         0.199950     -0.070904     -0.123981
     10.23486     10.13264     13.07019         0.050798      0.016939     -0.002350
     10.06568     11.39198     17.68441         0.172766     -0.060949      0.257309
     10.52767     12.00954     13.40192         0.011198     -0.020641      0.223881
     10.76091     14.41610     13.76908         0.068820     -0.062223     -0.016270
      9.51056     17.72548      0.42245         0.178115      0.062406     -0.358173
      9.97701     15.81781     20.39620        -0.114220      0.052798      0.056462
     11.19735     18.30355     17.14506         0.317984     -0.008746      0.040965
      9.26377      0.05791      3.39551        -0.306600     -0.068649      0.174636
     11.17889      0.72478     20.30769        -0.150360     -0.159246     -0.041143
     10.42170      2.62057      0.23030         0.064294     -0.215790     -0.080587
      7.44214     10.67267     16.00370        -0.323856      0.085415     -0.209201
      7.06365      7.27823     19.62966         0.184676     -0.021134      0.033094
      7.10727      9.64451     20.21879         0.213218      0.010612     -0.286062
      7.60984     12.73828     16.56380        -0.142666     -0.004425     -0.273416
      6.95380     11.45610     20.65535         0.193820      0.026381     -0.055614
      7.03875     13.75432      0.14144         0.137434      0.056599      0.079503
      9.37510     19.94313     15.94366        -0.230137     -0.173997      0.099332
      8.67524     17.70201     16.22160         0.016570      0.036824     -0.094742
      6.98975     18.79625     19.97741        -0.352089      0.123638     -0.280888
      9.78624      2.87360     14.29423         0.350246      0.064440      0.141003
      8.35336      2.00518     18.87833        -0.041815      0.027483     -0.280455
      9.01428      4.20686     18.28182         0.046151     -0.115555      0.119100
      6.81237     13.00337      8.76382        -0.037856      0.052760      0.217179
      7.51626     11.37707      4.09229        -0.094399      0.029144     -0.105863
      7.74206     13.75901      4.59563        -0.140217      0.031741      0.013836
      6.86448     15.18236      9.08014         0.010156     -0.097819      0.221221
      7.98012     15.54556      4.90636        -0.265274      0.122553      0.132731
      7.99656     17.94798      5.10055        -0.144773      0.145391     -0.058310
      6.33556      0.29136     12.85936         0.377793      0.061529      0.051738
      6.83618     19.59740     11.62749        -0.128626      0.111435      0.231247
      8.24725      0.77420      8.46096         0.314686     -0.039013      0.026040
      6.40125      3.89856     15.95966        -0.185216     -0.149237      0.340187
      8.42295      4.53529     11.61033        -0.024067     -0.183258      0.025146
      7.89686      6.40837     12.90703         0.159429     -0.140008     -0.095952
      3.57941     14.39491      9.04798         0.026524      0.070567     -0.233652
      4.57687     11.30387     12.83012         0.122076     -0.083683      0.117875
      4.68565     13.72864     13.19461         0.002888      0.013679     -0.136768
      3.89317     16.38178      9.29295        -0.080674      0.059800     -0.243251
      4.78720     15.61389     13.45136         0.236047      0.041133     -0.039336
      5.15457     18.00372     13.82340        -0.100907      0.103268      0.058039
      5.45523      2.32497      7.43617         0.010589      0.033976      0.326047
      4.84681      0.18110      8.09636        -0.061230      0.177470     -0.126972
      4.14376      1.59415     12.05088        -0.329819     -0.039756     -0.077161
      6.97979      6.62399      5.95376         0.205073     -0.236030      0.181254
      5.48452      5.90427     10.52177         0.277078      0.010907     -0.268181
      6.05369      8.04843      9.86297        -0.030022     -0.226040     -0.046044
      2.09535     16.46364      3.27250        -0.013794     -0.042138      0.132911
      0.35296     14.87007     20.11838        -0.238171     -0.060508      0.006372
      0.44016     17.25195     20.60283        -0.099277     -0.180918      0.012991
      1.80641     18.74721      3.62353        -0.042592     -0.099304      0.211155
      0.27186     18.91534     20.81441        -0.066177     -0.005998      0.067427
      0.01183      0.06382     20.98737        -0.157158      0.079135     -0.219704
      2.48531      3.85129      7.01586        -0.066157      0.268721     -0.358181
      2.29732      2.01400      5.75146        -0.050084      0.232183      0.097904
      0.53416      4.29868      2.61632        -0.122110     -0.072786      0.061311
      3.54999      7.57768      9.55118        -0.098720     -0.057413      0.480802
      1.68355      8.37423      5.11702         0.109162     -0.263713      0.069575
      2.47287     10.18341      6.38526        -0.002171     -0.280781     -0.145308
      3.45315     17.07381     20.82365         0.110625     -0.011023     -0.155439
      5.91439     13.82602      2.44230         0.039291     -0.017233      0.046447
      5.99979     16.18885      2.97789        -0.142487      0.021639     -0.046728
      3.46910     19.30354      0.33035        -0.015252      0.021307     -0.229010
      6.10984     17.93823      3.49784        -0.157554     -0.010001     -0.013391
      6.36028     20.21464      4.28963         0.032754     -0.004042      0.172056
      1.89950      5.43448      0.53147         0.251718      0.275225     -0.054959
      2.51153      3.25738      0.50989        -0.043711      0.185914     -0.229421
      4.96116      3.91274      3.88669         0.298809     -0.060793     -0.057636
      1.21216     10.27030      0.11811        -0.316127     -0.106190      0.038096
      4.53510      8.88615      3.38353        -0.095847     -0.169561     -0.348436
      3.76843     11.06452      3.45940        -0.015978     -0.289587     -0.263527
     20.32343     19.50791     14.99226         0.118788      0.050055      0.296373
     16.62116     17.82339     12.09975        -0.141625      0.084308      0.086378
     16.94185     20.23300     12.36090         0.214793      0.030392      0.015058
     20.59279      0.35069     15.14797         0.167476     -0.175777      0.340751
     16.97027      0.85883     12.83000         0.157952      0.070057      0.052409
     16.99973      3.25394     13.28905        -0.037770      0.120377     -0.039557
      2.44210      6.67716     17.52266        -0.421786      0.024164      0.284343
      1.23263      4.66615     17.15522         0.035344      0.195798     -0.022084
     19.10593      7.08201     16.20630        -0.421426     -0.116800      0.139080
      4.60987     10.03665     20.09929         0.124433     -0.030852     -0.052374
      0.12974     10.72017     18.35235         0.259570     -0.029604     -0.135486
      1.35180     12.57599     19.07529        -0.258717      0.164337     -0.076587
      0.75584     21.19222     13.20203        -0.277340      0.073859     -0.235594
      3.59824     17.81946     15.55509        -0.065397      0.144623     -0.041871
      4.04794     20.21819     15.86074        -0.580221      0.116377      0.058543
      1.01949      1.86222     13.54543        -0.222241      0.056615     -0.319461
      3.94330      0.83466     16.55780        -0.420438      0.256843      0.086588
      4.45023      3.22220     16.87917        -0.096515      0.072779      0.239145
     20.04101      8.86241     13.80522         0.217142      0.003880      0.080193
     21.00534      6.74011     13.69534        -0.075124      0.002276     -0.203117
      3.27250      8.20966     15.60170         0.189996      0.028897     -0.274062
     18.10690     13.11986     13.55636        -0.214412      0.059142      0.211331
      1.35904     12.53618     15.14564        -0.222620      0.007002      0.103646
      0.39403     14.63457     15.34691         0.057413     -0.009516      0.131196
     17.68049      2.57427      7.30871         0.049841      0.023054      0.309835
     14.66680      0.93430      3.71355         0.033867     -0.023378     -0.136909
     14.71365      3.33750      4.25985         0.182640     -0.022199     -0.003531
     17.82710      4.72875      7.55481         0.008778     -0.142690      0.308033
     14.71224      5.16666      4.57140         0.149886     -0.004130      0.063303
     14.70442      7.57229      4.93796         0.001039      0.094375     -0.204007
     20.32778     10.89433     10.64037        -0.197739      0.100783      0.151132
     19.19335      9.02672      9.79389         0.146236      0.075894      0.176987
     16.61507     11.62505      7.62644        -0.117227     -0.052200      0.206206
      1.31040     14.44235     12.63241         0.517524     -0.148315      0.181111
     18.27640     15.18023     10.49872         0.236198     -0.261950      0.005754
     19.58025     17.05120     11.15989        -0.084986     -0.259901      0.078815
     19.37942      4.42426      5.23279        -0.017833      0.116929     -0.101847
     21.24173      0.71596      8.00006         0.206780     -0.132064      0.143822
      0.07141      3.02272      8.85045        -0.066223      0.035783      0.111397
     19.68088      6.20765      5.75569        -0.286318     -0.024989      0.021583
     -0.01982      4.98764      9.55817        -0.140984      0.020458      0.266917
      0.64861      7.30520     10.05538        -0.097601      0.056613      0.144035
     18.45080     13.34750      4.90890         0.278242      0.130635      0.309806
     19.07452     11.14229      5.29102        -0.036740      0.235649     -0.151880
      0.35937     12.34322      8.49052         0.191244     -0.003147     -0.197030
     17.16997     17.78851      4.06620         0.162565      0.004752     -0.028370
     20.18974     16.80787      7.74006        -0.053234     -0.048313     -0.088394
     19.16389     18.89719      7.67119         0.044400     -0.182733     -0.002671
     13.94610     19.31348     10.77789        -0.093728     -0.104869     -0.095835
     18.90811     20.99923      3.63328         0.479271      0.367390      0.164219
     12.74047      1.19860      2.66697        -0.015424     -0.014066     -0.198892
     13.63906     11.59036      4.45462         0.057756      0.101897     -0.354001
      9.56239      2.62877      2.80698         0.037730      0.239864      0.246862
     10.49595     12.71684      5.33453         0.006838      0.094372      0.432365
      9.92036      5.14856     15.89834         0.020939      0.009245     -0.033071
     10.69421     15.64330     17.81548         0.131898      0.525954     -0.145135
      6.91477      6.43853     15.49497         0.187700      0.291771     -0.173284
      7.38581     16.62151     18.29839        -0.017225      0.113233      0.222648
      6.68307      8.94409      7.43221        -0.009738      0.051606     -0.154123
      7.56986     19.39804      9.07747        -0.063763      0.098921     -0.132212
      3.49564     10.16265      8.90367         0.000677      0.263874     -0.159038
      4.19445     20.51267     10.54240         0.065534      0.190692      0.296049
      1.96029     12.32292      1.72793        -0.109254      0.158234      0.296619
      1.22970      1.70762      3.37905        -0.122309     -0.222898     -0.403772
      3.71830     12.73024     20.28241        -0.114460      0.121422     -0.273332
      4.24392      1.89613      2.11970         0.144421      0.269891      0.043146
     19.24516     15.44138     14.44355        -0.390090     -0.142706     -0.243662
     20.04792      4.48945     16.00868        -0.062244      0.084368     -0.056459
      0.70196     16.99016     12.55327         0.221231      0.031162      0.402084
      2.10920      5.86650     14.51298         0.567799      0.348797      0.493643
     17.33676     19.81260      5.90654         0.067789      0.014096     -0.064512
     17.29696      8.94094      7.97568        -0.236386     -0.063392     -0.243770
     19.40840      0.42575      4.21933        -0.231598     -0.194364     -0.247070
     20.67280     10.10607      7.08565         0.252438      0.008919      0.521346
     12.37913      2.28765      4.74390        -0.057568     -0.076901     -0.207871
     13.43411      1.01325      0.40512        -0.084679      0.285973      0.590247
     13.25983      9.86698      6.03812        -0.117199      0.000389     -0.063861
     13.79540     12.60037      2.29545        -0.015619     -0.934873      0.846577
      9.74809      4.49980      1.34706        -0.085474     -0.227316      0.285828
      9.30856      1.49360      4.88640        -0.010855     -0.185167     -0.124686
     10.47354     11.67192      3.21139        -0.046998      0.171224      0.005362
     10.20006     12.89191      7.69127         0.038443     -0.369791     -0.841434
      9.80605      6.29061     17.99387         0.144501     -0.229199     -1.050138
     10.65537      4.91219     13.64769        -0.473688      1.017580      1.503417
     10.39626     13.89735     19.40209         0.135132      0.209435     -0.224204
     10.95336     16.64938     15.67439        -0.026873     -0.608879      0.629784
      7.06265      8.33736     14.06827        -0.105902     -0.331891      0.244751
      6.57481      5.29478     17.55169         0.089668      0.286066     -0.425371
      7.67995     15.71201     16.13123        -0.156067      0.087704      0.144296
      7.08210     16.64298     20.64164         0.060052     -0.272867     -0.726517
      6.58549     10.10727      9.50422         0.128992     -0.140490     -0.197581
      7.10852      8.67988      5.13596        -0.057934     -0.058747      0.030459
      7.15732     17.70222     10.68023         0.214626      0.207537     -0.443649
      7.95446     20.32087      6.93782        -0.198458      0.067544      0.136307
      3.09704     11.97125      7.41308         0.111284     -0.234820      0.218322
      3.93378      9.10254     10.98365        -0.106768      0.140945     -0.267887
      4.16500     19.36352      8.48232        -0.115529      0.015419     -1.330985
      4.35136     20.72216     12.86994         0.055077      1.363507      1.714332
      2.97338     13.38543      3.61699        -0.578483     -0.132302     -0.853738
      0.33612     12.20023      0.00782        -0.189233     -0.368477     -0.124909
      2.17259      0.13816      4.91853        -0.076405      0.167182     -0.341225
      0.22115      2.45446      1.37944        -0.012545     -0.154592      0.161537
      2.90477     14.56273     18.96939         0.332190     -0.435293      0.576371
      5.03985     11.70375      0.66737        -0.182255      0.053359     -0.156181
      3.10144      1.10409      0.20757         0.131255     -0.011213      0.165114
      5.78105      1.80403      3.91236        -0.069427     -0.001183     -0.101360
     -0.41241     16.65561     15.68493         0.198543     -0.066755      0.293830
     17.31062     15.09106     13.09183         0.715831      0.608600      0.631185
      0.12257      2.73011     16.84952        -0.144756      0.109663      0.016326
     18.37041      5.54384     14.72557         0.198562     -0.289713      0.142037
     20.99858     18.89593     11.52220         0.227713     -0.214445      0.172919
      2.20684     15.76912     13.96907        -0.684789      0.954833     -0.357838
      0.43138      4.78360     13.22970         0.759301      0.001861      0.474965
      4.04589      6.03704     15.86102         0.488695      0.655358      0.265074
     18.20965     20.85638      7.85743        -0.098636     -0.097105     -0.225007
     15.86544     19.55996      4.07547         0.239254      0.130235      0.265254
     18.23962      7.18371      9.26144        -0.175531      0.128463     -0.061558
     15.91710      9.92702      6.35025         0.301511     -0.118520     -0.016505
     18.39686      2.36660      3.40017         0.203297     -0.143040      0.083755
     20.63599     20.19366      5.52743        -0.257512      0.477180     -0.053861
     19.36661      9.17213      5.36111        -0.494909      0.028820     -0.608168
      0.75960     10.13187      9.03760        -0.438588     -0.072940     -0.323761
     13.88993     17.52805      5.29483         0.114017     -0.108288     -0.085887
     15.80414     16.55893      5.59062         0.387295      0.179919      0.136649
     14.67783     16.26570      3.72998         0.076546      0.072338     -0.175180
     11.98422     15.37738     11.42740        -0.089895     -0.282258     -0.062300
     11.41908     14.59945      9.47988         0.090628     -0.089716     -0.026072
     13.28750     13.92188     10.46757        -0.086554     -0.126435      0.071507
     11.90444     18.04171      7.25319         0.082758     -0.018959      0.053463
      9.95075     18.42408      6.41773         0.079523      0.223110     -0.014343
     10.23579     16.77153      7.82728         0.185260      0.284723     -0.238724
     13.12441     18.48227      0.07947         0.048419     -0.206460      0.188602
     14.04476     17.02095      1.40120        -0.239822      0.132871      0.090253
     11.90880     16.87482      0.90277         0.340227     -0.080815      0.005336
     10.50385      0.32413     18.54561         0.357756      0.004670     -0.350235
     12.57217     -0.28644     18.90727         0.194961     -0.070072      0.052276
     11.57164     20.43151     17.04402         0.243102     -0.028199     -0.074215
      8.86597     19.36380      3.59692        -0.195096     -0.217125     -0.144706
      7.89030     18.71841      1.74068        -0.354033     -0.119742     -0.366308
      9.83068     17.93915      2.30239        -0.152351      0.210339     -0.134272
      7.90689      0.74850     20.36387        -0.161574      0.214083      0.232433
      6.08184      1.05402     19.16802         0.015141      0.113266     -0.057631
      6.18005     20.71524     20.65669         0.149327      0.144413     -0.243617
      9.57984      1.07751     13.27520        -0.039965      0.286333      0.038651
     10.81268     21.20902     14.62429        -0.049909     -0.018810      0.352672
      8.77513     20.53488     14.16807         0.447830      0.951373      0.203829
      8.03780      4.04798      9.80253         0.291381      0.185092     -0.214822
      9.94484      3.17447     10.41862         0.300714      0.062743      0.169778
      9.06826      2.68627      8.48042         0.418536     -0.062294      0.073484
      6.03188      1.90630     16.12379         0.126057     -0.212878     -0.218443
      5.01973      1.50211     14.17558         0.157112     -0.229517      0.269752
      6.76598      0.44182     14.77792         0.492450     -0.118336     -0.173895
      5.40445      4.97296     12.02200        -0.029268      0.389437      0.093239
      3.25692      4.73469     11.85036        -0.093729     -0.408479     -0.040026
      4.41261      3.35034     12.98198        -0.086905      0.016160      0.028918
      7.16135      4.50701      5.18422        -0.121739     -0.181783      0.173501
      7.23524      2.92189      6.66399         0.217720      0.034440      0.089817
      5.30874      3.62327      5.96729        -0.131825     -0.383878     -0.028091
     -0.40661      7.22191      4.49284        -0.182025      0.302108      0.105044
      1.39489      7.56747      3.40402        -0.492300     -0.240310     -0.327427
     -0.19764      6.22190      2.63561        -0.386199      0.026525     -0.111062
      3.30693      5.56928      9.81041        -0.116716      0.145991     -0.527007
      1.87286      4.45413      8.72036        -0.077952     -0.055761      0.011828
      3.82695      4.75092      7.81136        -0.152987      0.078417      0.387484
      6.00196      6.99111      3.47223         0.255979      0.360453     -0.011401
      4.08414      7.40352      4.53339         0.072522      0.162481      0.065692
      5.17472      5.68688      5.01071         0.075132     -0.270864      0.777119
      0.60962      8.38562     20.42266        -0.167602      0.125843      0.532092
      2.28084      6.97693     -0.68691        -0.097581     -0.130375     -0.780228
      0.57332      6.85912      0.64226        -0.373421     -0.008935     -0.027036
     19.47575      9.42356     18.86861        -0.142634      0.084321      0.115406
     20.04623     10.33891     16.95702        -0.115094      0.410524     -0.038332
     18.43727      8.91111     17.00821        -0.498423     -0.118082      0.148159
      4.86169      7.96839     19.92921        -0.033036     -0.002243      0.129054
      3.71271      6.58233     18.78827         0.076960      0.635092      0.210555
      4.66607      8.16608     17.69824         0.117350      0.051449     -0.172274
      3.36278     11.45162     14.65836        -0.180207      0.067766     -0.124782
      2.24916     11.59255     16.52788         0.171855      0.220565     -0.030812
      3.82361     10.13805     16.32134        -0.003170      0.007722     -0.249857
     17.39274     11.31829     13.08254        -0.074417     -0.132206      0.081188
     18.96219      9.94949     12.52575        -0.027068     -0.376530      0.004258
     18.02144      9.80352     14.51269         0.159644     -0.068083     -0.004704
     16.32397     14.24706      9.83485        -0.121887      0.125378      0.120893
     17.90976     14.87356      8.44446        -0.204286      0.008905      0.053167
     16.25929     13.66520      7.72215         0.041415      0.157706      0.077991
      1.66278     12.48772     12.61697         0.040477     -0.095320     -0.104636
      0.15020     11.05589     12.10927        -0.085103      0.136540     -0.197907
      1.28515     12.00136     10.53312         0.016458      0.127982     -0.209112
      1.07522     15.65591      7.32350         0.061838      0.193233     -0.148791
     20.87235     15.69298      8.96356         0.351706      0.153022      0.028686
      1.19283     14.23532      8.97517         0.091034      0.049143     -0.218639
     17.09487     16.01584      2.95030         0.235428     -0.068622     -0.156119
     18.75360     14.64772      3.21396         0.103033     -0.144522     -0.039286
     16.90292     14.42169      4.42576         0.173499     -0.012795     -0.309142
 -----------------------------------------------------------------------------------
    total drift:                               -0.013578     -0.005419      0.006721


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4559.1756374021 eV

  energy  without entropy=    -4559.3246975279  energy(sigma->0) =    -4559.22532411
 
 d Force = 0.3680752E-02[-0.903E-04, 0.745E-02]  d Energy = 0.3707792E-02-0.270E-04
 d Force =-0.6555809E+02[-0.656E+02,-0.655E+02]  d Ewald  =-0.6555808E+02-0.805E-05


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   38(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.6395020E+00  (-0.9118118E+02)
 number of electron    2498.0000013 magnetization 
 augmentation part      163.0270919 magnetization 

  free energy =  -0.455853613399E+04  energy without entropy=  -0.455868665367E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   38(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) :-0.2200770E+01  (-0.2595715E+01)
 number of electron    2498.0000012 magnetization 
 augmentation part      163.1541984 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8371
  0.8371

  free energy =  -0.456073690357E+04  energy without entropy=  -0.456088614034E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   38(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3704
 total energy-change (2. order) : 0.7957495E-01  (-0.5137580E-01)
 number of electron    2498.0000012 magnetization 
 augmentation part      163.0677197 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3471
  1.1482  1.5459

  free energy =  -0.456065732862E+04  energy without entropy=  -0.456080710297E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   38(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3528
 total energy-change (2. order) : 0.9248917E-03  (-0.4068411E-01)
 number of electron    2498.0000012 magnetization 
 augmentation part      163.0039047 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2676
  2.1495  0.8490  0.8042

  free energy =  -0.456065640373E+04  energy without entropy=  -0.456080550235E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   38(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) :-0.6978567E-02  (-0.8876337E-02)
 number of electron    2498.0000012 magnetization 
 augmentation part      163.0076357 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2934
  2.3468  0.8970  0.9649  0.9649

  free energy =  -0.456066338229E+04  energy without entropy=  -0.456081291253E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   38(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3616
 total energy-change (2. order) : 0.4562668E-02  (-0.4447696E-02)
 number of electron    2498.0000012 magnetization 
 augmentation part      163.0085546 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2485
  2.3846  1.0598  1.0598  0.8690  0.8690

  free energy =  -0.456065881963E+04  energy without entropy=  -0.456080789921E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   38(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3568
 total energy-change (2. order) :-0.1980026E-03  (-0.1021985E-02)
 number of electron    2498.0000012 magnetization 
 augmentation part      163.0161413 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2299
  2.4213  0.9624  0.9624  1.1620  1.1620  0.7090

  free energy =  -0.456065901763E+04  energy without entropy=  -0.456080857915E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   38(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) : 0.1844761E-03  (-0.1254010E-03)
 number of electron    2498.0000012 magnetization 
 augmentation part      163.0213715 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2293
  2.4604  1.0770  1.0770  1.2364  1.2364  0.8769  0.6407

  free energy =  -0.456065883315E+04  energy without entropy=  -0.456080807750E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   38(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3568
 total energy-change (2. order) :-0.2487079E-04  (-0.1062817E-03)
 number of electron    2498.0000012 magnetization 
 augmentation part      163.0199589 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2325
  2.5104  1.5104  1.0466  1.0466  1.1840  0.9691  0.9691  0.6243

  free energy =  -0.456065885802E+04  energy without entropy=  -0.456080817017E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   38(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3648
 total energy-change (2. order) :-0.3178246E-04  (-0.1490542E-04)
 number of electron    2498.0000012 magnetization 
 augmentation part      163.0205108 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2485
  2.5951  1.8327  1.0690  1.0690  1.2881  0.9145  0.9145  0.9339  0.6200

  free energy =  -0.456065888981E+04  energy without entropy=  -0.456080820152E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   38(  11)  ---------------------------------------



 eigenvalue-minimisations  :  3048
 total energy-change (2. order) :-0.4395822E-04  (-0.5377829E-05)
 number of electron    2498.0000012 magnetization 
 augmentation part      163.0199413 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2383
  2.6080  1.7776  1.5201  1.0419  1.0419  0.9577  0.9577  0.9261  0.9261  0.6255

  free energy =  -0.456065893376E+04  energy without entropy=  -0.456080822868E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   38(  12)  ---------------------------------------



 eigenvalue-minimisations  :  2224
 total energy-change (2. order) :-0.3225269E-04  (-0.8069786E-06)
 number of electron    2498.0000012 magnetization 
 augmentation part      163.0199580 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2885
  2.6808  2.2981  1.4176  1.4176  1.0631  1.0631  0.9259  0.9259  0.8759  0.8759
  0.6297

  free energy =  -0.456065896602E+04  energy without entropy=  -0.456080826796E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   38(  13)  ---------------------------------------



 eigenvalue-minimisations  :  2272
 total energy-change (2. order) :-0.4762752E-04  (-0.1082165E-05)
 number of electron    2498.0000012 magnetization 
 augmentation part      163.0202454 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2985
  2.9908  2.4831  1.4412  1.4412  1.0428  1.0428  0.9370  0.9370  0.9405  0.9405
  0.6298  0.7556

  free energy =  -0.456065901364E+04  energy without entropy=  -0.456080830829E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   38(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2232
 total energy-change (2. order) :-0.2331959E-04  (-0.5386492E-06)
 number of electron    2498.0000012 magnetization 
 augmentation part      163.0202337 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3417
  3.5211  2.5323  1.4481  1.4481  1.0642  1.0642  1.2128  1.2128  0.9082  0.9082
  0.8265  0.6330  0.6631

  free energy =  -0.456065903696E+04  energy without entropy=  -0.456080832932E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   38(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2272
 total energy-change (2. order) :-0.1995006E-04  (-0.4767990E-06)
 number of electron    2498.0000012 magnetization 
 augmentation part      163.0200682 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3849
  4.1333  2.5794  1.8043  1.4815  1.0506  1.0506  1.0830  1.0830  0.9321  0.9321
  0.9568  0.9568  0.6291  0.7166

  free energy =  -0.456065905691E+04  energy without entropy=  -0.456080835084E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   38(  16)  ---------------------------------------



 eigenvalue-minimisations  :  2216
 total energy-change (2. order) :-0.1006335E-04  (-0.1646876E-06)
 number of electron    2498.0000012 magnetization 
 augmentation part      163.0200930 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4088
  4.4939  2.5962  2.0366  1.0705  1.0705  1.2187  1.2187  1.2598  1.2598  0.9026
  0.9026  0.9723  0.8190  0.6289  0.6821

  free energy =  -0.456065906698E+04  energy without entropy=  -0.456080835992E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   38(  17)  ---------------------------------------



 eigenvalue-minimisations  :  2200
 total energy-change (2. order) :-0.5295471E-05  (-0.1112142E-06)
 number of electron    2498.0000012 magnetization 
 augmentation part      163.0200930 magnetization 

  free energy =  -0.456065907227E+04  energy without entropy=  -0.456080836589E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.9926       2 -56.1560       3 -56.0520       4 -55.7773       5 -55.7961
       6 -56.3076       7 -58.1004       8 -58.2799       9 -56.2930      10 -55.9653
      11 -56.0220      12 -55.7973      13 -55.7545      14 -55.9345      15 -58.0614
      16 -58.0856      17 -56.2953      18 -54.9108      19 -54.8543      20 -55.1281
      21 -55.6119      22 -55.6552      23 -55.7284      24 -55.6339      25 -54.9821
      26 -54.8031      27 -54.9428      28 -54.9503      29 -60.4339      30 -60.3875
      31 -55.5871      32 -55.8045      33 -55.6929      34 -55.2238      35 -55.4785
      36 -55.9575      37 -57.8128      38 -58.0860      39 -56.0671      40 -55.7674
      41 -55.9165      42 -55.7047      43 -55.7358      44 -55.8641      45 -58.0988
      46 -58.1701      47 -56.4826      48 -55.1537      49 -55.0035      50 -55.3181
      51 -55.9078      52 -55.8802      53 -55.7712      54 -55.7313      55 -55.1044
      56 -54.8459      57 -54.9526      58 -56.3366      59 -60.4224      60 -60.6334
      61 -55.9657      62 -56.0356      63 -55.8982      64 -55.7356      65 -55.7364
      66 -56.2234      67 -57.9719      68 -58.1771      69 -56.2435      70 -55.8946
      71 -56.0217      72 -55.7345      73 -55.6551      74 -55.8816      75 -58.0608
      76 -58.2188      77 -56.4571      78 -55.0709      79 -54.9993      80 -55.2969
      81 -55.7924      82 -55.8495      83 -55.9125      84 -55.9258      85 -55.1269
      86 -55.0622      87 -55.1602      88 -56.4297      89 -60.7379      90 -60.4529
      91 -55.6373      92 -55.7633      93 -55.6576      94 -55.4105      95 -55.5036
      96 -55.9928      97 -57.8671      98 -58.0022      99 -56.0962     100 -55.8477
     101 -55.9863     102 -55.5765     103 -55.6387     104 -55.8812     105 -58.0829
     106 -58.2127     107 -56.4857     108 -55.1039     109 -54.9566     110 -55.3643
     111 -55.8719     112 -55.7982     113 -55.8237     114 -55.8770     115 -55.2089
     116 -54.9577     117 -55.0655     118 -56.4353     119 -60.4711     120 -60.5651
     121 -55.8758     122 -55.9661     123 -55.8263     124 -55.7273     125 -55.7419
     126 -56.1440     127 -58.0025     128 -58.1991     129 -56.0495     130 -55.7113
     131 -55.8293     132 -55.5875     133 -55.5275     134 -55.7538     135 -57.8642
     136 -58.0203     137 -56.3672     138 -55.0152     139 -54.9420     140 -55.1804
     141 -55.7415     142 -55.8647     143 -55.9498     144 -55.9147     145 -55.1779
     146 -55.1120     147 -55.1862     148 -56.4314     149 -60.6098     150 -60.5414
     151 -55.5307     152 -55.6152     153 -55.4730     154 -55.2906     155 -55.3958
     156 -55.8503     157 -57.8290     158 -57.8927     159 -55.9205     160 -55.6827
     161 -55.9074     162 -55.4772     163 -55.5693     164 -55.7895     165 -57.9954
     166 -58.1369     167 -56.4605     168 -55.0752     169 -54.9262     170 -55.3019
     171 -55.9368     172 -55.9595     173 -55.8492     174 -55.7288     175 -55.2594
     176 -54.7296     177 -54.9514     178 -56.3500     179 -60.4473     180 -60.5788
     181 -55.8654     182 -56.0587     183 -55.9166     184 -55.6378     185 -55.6430
     186 -56.1742     187 -57.9435     188 -58.2623     189 -56.1793     190 -55.8027
     191 -55.9556     192 -55.6976     193 -55.6442     194 -55.8558     195 -58.0113
     196 -58.2083     197 -56.4427     198 -54.9814     199 -54.9453     200 -55.2780
     201 -55.8328     202 -55.9429     203 -55.9035     204 -55.8465     205 -55.1704
     206 -55.1880     207 -55.1046     208 -56.4136     209 -60.7339     210 -60.5113
     211 -55.9042     212 -56.0801     213 -55.9227     214 -55.7009     215 -55.6890
     216 -56.2098     217 -58.0255     218 -58.3016     219 -56.1081     220 -55.7692
     221 -55.8743     222 -55.5722     223 -55.4497     224 -55.7506     225 -57.9247
     226 -58.1058     227 -56.4296     228 -55.0119     229 -54.9903     230 -55.1447
     231 -55.6583     232 -55.9576     233 -55.9940     234 -55.6368     235 -55.0995
     236 -55.1025     237 -55.1582     238 -56.4408     239 -60.3507     240 -60.3491
     241 -55.8891     242 -55.9676     243 -55.8304     244 -55.6989     245 -55.7347
     246 -56.1782     247 -58.0306     248 -58.1269     249 -56.1656     250 -55.8211
     251 -55.9567     252 -55.6992     253 -55.6909     254 -55.8729     255 -57.9571
     256 -58.0351     257 -56.3592     258 -55.0607     259 -54.9159     260 -55.1848
     261 -55.7562     262 -55.8293     263 -55.8720     264 -55.9547     265 -55.3829
     266 -54.9441     267 -55.1203     268 -56.4460     269 -60.6361     270 -60.3817
     271 -55.8350     272 -55.9242     273 -55.7331     274 -55.6820     275 -55.6796
     276 -56.0401     277 -58.1247     278 -58.1770     279 -55.8316     280 -55.5861
     281 -55.7134     282 -55.4128     283 -55.3678     284 -55.6566     285 -57.9924
     286 -57.9864     287 -56.4501     288 -54.9879     289 -54.9448     290 -55.3310
     291 -55.8329     292 -55.8293     293 -55.8051     294 -55.7302     295 -55.0779
     296 -54.8611     297 -54.9408     298 -56.3220     299 -60.4026     300 -60.5251
     301 -55.8216     302 -55.9664     303 -55.8277     304 -55.5552     305 -55.5979
     306 -56.0878     307 -58.0423     308 -58.2222     309 -56.1229     310 -55.7748
     311 -55.9285     312 -55.6535     313 -55.6053     314 -55.8337     315 -57.9443
     316 -58.0976     317 -56.3927     318 -54.9917     319 -54.9063     320 -55.1962
     321 -55.7668     322 -55.8094     323 -55.9284     324 -55.9094     325 -55.1577
     326 -55.1331     327 -55.2011     328 -56.4378     329 -60.6278     330 -60.3948
     331 -55.7564     332 -55.7695     333 -55.6434     334 -55.5879     335 -55.5681
     336 -56.0088     337 -57.9455     338 -57.9316     339 -55.8328     340 -55.5100
     341 -55.6983     342 -55.4540     343 -55.4847     344 -55.6706     345 -57.9628
     346 -57.9785     347 -56.3629     348 -54.8756     349 -54.9091     350 -55.2407
     351 -55.7380     352 -55.8240     353 -55.7866     354 -55.6954     355 -55.1772
     356 -54.8154     357 -54.9363     358 -56.3607     359 -60.4321     360 -60.5041
     361 -39.1406     362 -38.7924     363 -38.9419     364 -39.1376     365 -38.9308
     366 -38.7555     367 -38.1856     368 -37.9875     369 -38.1322     370 -38.1280
     371 -38.1589     372 -38.1693     373 -38.8384     374 -38.3414     375 -38.6754
     376 -38.8820     377 -38.8472     378 -38.7968     379 -38.2011     380 -38.1242
     381 -38.2555     382 -38.0681     383 -38.2057     384 -37.9740     385 -38.9126
     386 -38.7228     387 -38.8466     388 -38.9315     389 -38.8077     390 -38.5760
     391 -38.2975     392 -38.1222     393 -38.2318     394 -38.0914     395 -38.2037
     396 -38.2235     397 -38.7817     398 -38.3898     399 -38.6697     400 -38.8932
     401 -38.6706     402 -38.7680     403 -38.2332     404 -38.0921     405 -38.2879
     406 -38.2044     407 -38.0316     408 -37.9164     409 -38.8279     410 -38.7752
     411 -38.9616     412 -38.7770     413 -38.8464     414 -38.5939     415 -38.1611
     416 -38.1108     417 -38.1351     418 -38.1626     419 -38.1854     420 -38.2378
     421 -38.6147     422 -38.2994     423 -38.5287     424 -38.7119     425 -38.5788
     426 -38.6580     427 -38.1179     428 -37.9861     429 -38.3143     430 -38.2039
     431 -38.0752     432 -38.0030     433 -38.8525     434 -38.6749     435 -38.9293
     436 -38.7857     437 -38.9862     438 -38.6746     439 -38.4979     440 -37.9957
     441 -38.2395     442 -38.2223     443 -38.2440     444 -38.0935     445 -38.8691
     446 -38.7669     447 -38.8203     448 -38.8087     449 -38.7336     450 -38.3963
     451 -38.1268     452 -37.8543     453 -38.2205     454 -38.1492     455 -37.9874
     456 -38.0026     457 -38.9248     458 -38.6750     459 -38.8523     460 -38.9217
     461 -38.8514     462 -38.6887     463 -38.3744     464 -38.1742     465 -38.0211
     466 -38.5536     467 -38.0521     468 -38.1431     469 -38.9608     470 -38.7441
     471 -38.6504     472 -38.7554     473 -38.4687     474 -38.3498     475 -38.1426
     476 -37.9839     477 -38.2228     478 -38.0358     479 -38.1501     480 -37.9621
     481 -38.8747     482 -38.7358     483 -38.8396     484 -38.8984     485 -38.8798
     486 -38.7752     487 -38.2450     488 -38.1138     489 -38.1258     490 -38.2826
     491 -38.1905     492 -38.2772     493 -38.8672     494 -38.5740     495 -38.6723
     496 -38.7309     497 -38.5453     498 -38.4598     499 -38.1180     500 -37.8634
     501 -38.2294     502 -38.1193     503 -38.0966     504 -37.9065     505 -38.2397
     506 -41.1087     507 -71.6886     508 -71.5134     509 -71.4541     510 -71.6707
     511 -71.5532     512 -71.5945     513 -71.4388     514 -71.6600     515 -71.5536
     516 -71.3598     517 -71.3579     518 -71.5372     519 -71.5469     520 -71.6045
     521 -71.5601     522 -71.4692     523 -71.5596     524 -71.4267     525 -71.5886
     526 -71.4872     527 -71.6090     528 -71.4607     529 -71.1509     530 -71.4159
     531 -76.8969     532 -76.7872     533 -76.7812     534 -76.8111     535 -76.7483
     536 -76.5710     537 -76.7694     538 -76.8337     539 -76.7990     540 -76.4408
     541 -76.8818     542 -76.7826     543 -76.6447     544 -76.6006     545 -76.8213
     546 -76.7734     547 -76.8776     548 -76.7428     549 -76.7596     550 -76.5555
     551 -76.6241     552 -76.5495     553 -76.6927     554 -76.7121     555 -76.9775
     556 -76.6167     557 -76.9350     558 -76.7459     559 -76.9608     560 -76.6844
     561 -76.7673     562 -76.6321     563 -76.7473     564 -76.7339     565 -76.6502
     566 -76.6587     567 -76.8700     568 -76.9025     569 -76.5120     570 -76.7645
     571 -76.8880     572 -76.7400     573 -76.7983     574 -76.6616     575 -76.6150
     576 -76.6140     577 -76.6454     578 -76.7611     579 -82.3966     580 -82.3803
     581 -82.5297     582 -82.3689     583 -82.3527     584 -82.3523     585 -82.5473
     586 -82.5677     587 -82.5907     588 -82.2776     589 -82.2699     590 -82.4540
     591 -82.4544     592 -82.3146     593 -82.5192     594 -82.6178     595 -82.6119
     596 -82.7440     597 -82.5218     598 -82.4871     599 -82.5755     600 -82.3410
     601 -82.2524     602 -82.0704     603 -82.5652     604 -82.4260     605 -82.7623
     606 -82.3467     607 -82.4042     608 -82.6215     609 -82.5846     610 -82.2514
     611 -82.6147     612 -82.4401     613 -82.3295     614 -82.3366     615 -82.5261
     616 -82.5699     617 -82.4892     618 -82.7766     619 -82.8835     620 -82.7054
     621 -82.2744     622 -82.3524     623 -82.5813     624 -82.3626     625 -82.5298
     626 -82.2201     627 -82.1856     628 -82.3222     629 -82.3855     630 -82.4681
     631 -82.6281     632 -82.4321     633 -82.3694     634 -82.5397     635 -82.4728
     636 -82.2756     637 -82.4053     638 -82.3204     639 -82.3015     640 -82.3182
     641 -82.3949     642 -82.4227     643 -82.6373     644 -82.5215     645 -82.4273
     646 -82.5193     647 -82.5838     648 -82.3933     649 -82.3437     650 -82.3194
 
 
 
 E-fermi :  -1.4391     XC(G=0):  -6.4444     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.3108      2.00000
      2     -29.1030      2.00000
      3     -29.0916      2.00000
      4     -29.0524      2.00000
      5     -29.0358      2.00000
      6     -29.0249      2.00000
      7     -29.0219      2.00000
      8     -28.9908      2.00000
      9     -28.9732      2.00000
     10     -28.9554      2.00000
     11     -28.9402      2.00000
     12     -28.9342      2.00000
     13     -28.9041      2.00000
     14     -28.8642      2.00000
     15     -28.8588      2.00000
     16     -28.8458      2.00000
     17     -28.7657      2.00000
     18     -28.7546      2.00000
     19     -28.7380      2.00000
     20     -28.7066      2.00000
     21     -28.6611      2.00000
     22     -28.6554      2.00000
     23     -28.6539      2.00000
     24     -28.5051      2.00000
     25     -27.0461      2.00000
     26     -26.8868      2.00000
     27     -26.8123      2.00000
     28     -26.7985      2.00000
     29     -26.7778      2.00000
     30     -26.7228      2.00000
     31     -26.7130      2.00000
     32     -26.7112      2.00000
     33     -26.7104      2.00000
     34     -26.6739      2.00000
     35     -26.6703      2.00000
     36     -26.6644      2.00000
     37     -26.6455      2.00000
     38     -26.6229      2.00000
     39     -26.6173      2.00000
     40     -26.6140      2.00000
     41     -26.5976      2.00000
     42     -26.5836      2.00000
     43     -26.5770      2.00000
     44     -26.5697      2.00000
     45     -26.5627      2.00000
     46     -26.5567      2.00000
     47     -26.5557      2.00000
     48     -26.5523      2.00000
     49     -26.5416      2.00000
     50     -26.5107      2.00000
     51     -26.5007      2.00000
     52     -26.4840      2.00000
     53     -26.4835      2.00000
     54     -26.4735      2.00000
     55     -26.4537      2.00000
     56     -26.4428      2.00000
     57     -26.4385      2.00000
     58     -26.4268      2.00000
     59     -26.4197      2.00000
     60     -26.4175      2.00000
     61     -26.4146      2.00000
     62     -26.3706      2.00000
     63     -26.3544      2.00000
     64     -26.3513      2.00000
     65     -26.3480      2.00000
     66     -26.3472      2.00000
     67     -26.3439      2.00000
     68     -26.3253      2.00000
     69     -26.3014      2.00000
     70     -26.2975      2.00000
     71     -26.2739      2.00000
     72     -26.0578      2.00000
     73     -23.3320      2.00000
     74     -23.3188      2.00000
     75     -23.3011      2.00000
     76     -23.2814      2.00000
     77     -23.2688      2.00000
     78     -23.2668      2.00000
     79     -23.2558      2.00000
     80     -23.2340      2.00000
     81     -23.2308      2.00000
     82     -23.2276      2.00000
     83     -23.2215      2.00000
     84     -23.1997      2.00000
     85     -23.1744      2.00000
     86     -23.1456      2.00000
     87     -23.1302      2.00000
     88     -23.1290      2.00000
     89     -23.1155      2.00000
     90     -23.0676      2.00000
     91     -23.0626      2.00000
     92     -23.0614      2.00000
     93     -23.0516      2.00000
     94     -23.0420      2.00000
     95     -22.9940      2.00000
     96     -22.9631      2.00000
     97     -22.8942      2.00000
     98     -22.8745      2.00000
     99     -22.8658      2.00000
    100     -22.8499      2.00000
    101     -22.8449      2.00000
    102     -22.8323      2.00000
    103     -22.8069      2.00000
    104     -22.8041      2.00000
    105     -22.7735      2.00000
    106     -22.7556      2.00000
    107     -22.7522      2.00000
    108     -22.7474      2.00000
    109     -22.7220      2.00000
    110     -22.7070      2.00000
    111     -22.7031      2.00000
    112     -22.6911      2.00000
    113     -22.6616      2.00000
    114     -22.6506      2.00000
    115     -22.6214      2.00000
    116     -22.5896      2.00000
    117     -22.5734      2.00000
    118     -22.5655      2.00000
    119     -22.3634      2.00000
    120     -22.2950      2.00000
    121     -20.4997      2.00000
    122     -20.4790      2.00000
    123     -20.4356      2.00000
    124     -20.4340      2.00000
    125     -20.3916      2.00000
    126     -20.3622      2.00000
    127     -20.3386      2.00000
    128     -20.3369      2.00000
    129     -20.3299      2.00000
    130     -20.3018      2.00000
    131     -20.2699      2.00000
    132     -20.2394      2.00000
    133     -20.2380      2.00000
    134     -20.2375      2.00000
    135     -20.2211      2.00000
    136     -20.2195      2.00000
    137     -20.1971      2.00000
    138     -20.1811      2.00000
    139     -20.1792      2.00000
    140     -20.1692      2.00000
    141     -20.1336      2.00000
    142     -20.1050      2.00000
    143     -20.0758      2.00000
    144     -20.0694      2.00000
    145     -18.6770      2.00000
    146     -18.5990      2.00000
    147     -18.5546      2.00000
    148     -18.5528      2.00000
    149     -18.5427      2.00000
    150     -18.5267      2.00000
    151     -18.5156      2.00000
    152     -18.4755      2.00000
    153     -18.4526      2.00000
    154     -18.4501      2.00000
    155     -18.3868      2.00000
    156     -18.3824      2.00000
    157     -18.3735      2.00000
    158     -18.2803      2.00000
    159     -18.2659      2.00000
    160     -18.2619      2.00000
    161     -18.2498      2.00000
    162     -18.2386      2.00000
    163     -18.2073      2.00000
    164     -18.1951      2.00000
    165     -18.1830      2.00000
    166     -18.1621      2.00000
    167     -18.1379      2.00000
    168     -18.0736      2.00000
    169     -17.9768      2.00000
    170     -17.9478      2.00000
    171     -17.9403      2.00000
    172     -17.8995      2.00000
    173     -17.8577      2.00000
    174     -17.8394      2.00000
    175     -17.8172      2.00000
    176     -17.7908      2.00000
    177     -17.7794      2.00000
    178     -17.7649      2.00000
    179     -17.7382      2.00000
    180     -17.6958      2.00000
    181     -17.6366      2.00000
    182     -17.5758      2.00000
    183     -17.5629      2.00000
    184     -17.5533      2.00000
    185     -17.5520      2.00000
    186     -17.5487      2.00000
    187     -17.5200      2.00000
    188     -17.5058      2.00000
    189     -17.4940      2.00000
    190     -17.4871      2.00000
    191     -17.4650      2.00000
    192     -17.4621      2.00000
    193     -16.7797      2.00000
    194     -16.7415      2.00000
    195     -16.7159      2.00000
    196     -16.6885      2.00000
    197     -16.6497      2.00000
    198     -16.6468      2.00000
    199     -16.6346      2.00000
    200     -16.5694      2.00000
    201     -16.5549      2.00000
    202     -16.5421      2.00000
    203     -16.5062      2.00000
    204     -16.4921      2.00000
    205     -16.2018      2.00000
    206     -16.1819      2.00000
    207     -16.1530      2.00000
    208     -16.1398      2.00000
    209     -16.1083      2.00000
    210     -16.0957      2.00000
    211     -16.0682      2.00000
    212     -16.0192      2.00000
    213     -16.0024      2.00000
    214     -15.9791      2.00000
    215     -15.9275      2.00000
    216     -15.7962      2.00000
    217     -15.7733      2.00000
    218     -15.6906      2.00000
    219     -15.6670      2.00000
    220     -15.6602      2.00000
    221     -15.6492      2.00000
    222     -15.6333      2.00000
    223     -15.6200      2.00000
    224     -15.6020      2.00000
    225     -15.5857      2.00000
    226     -15.5525      2.00000
    227     -15.5383      2.00000
    228     -15.5171      2.00000
    229     -15.4918      2.00000
    230     -15.4747      2.00000
    231     -15.4590      2.00000
    232     -15.4529      2.00000
    233     -15.4522      2.00000
    234     -15.4453      2.00000
    235     -15.4316      2.00000
    236     -15.4280      2.00000
    237     -15.4134      2.00000
    238     -15.3974      2.00000
    239     -15.3842      2.00000
    240     -15.3748      2.00000
    241     -15.3570      2.00000
    242     -15.3484      2.00000
    243     -15.3411      2.00000
    244     -15.3316      2.00000
    245     -15.3268      2.00000
    246     -15.3128      2.00000
    247     -15.3048      2.00000
    248     -15.2965      2.00000
    249     -15.2802      2.00000
    250     -15.2794      2.00000
    251     -15.2679      2.00000
    252     -15.2652      2.00000
    253     -15.2543      2.00000
    254     -15.2471      2.00000
    255     -15.2343      2.00000
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   1389       4.0994      0.00000
   1390       4.1069      0.00000
   1391       4.1180      0.00000
   1392       4.1259      0.00000
   1393       4.1527      0.00000
   1394       4.1657      0.00000
   1395       4.1738      0.00000
   1396       4.1806      0.00000
   1397       4.1872      0.00000
   1398       4.1985      0.00000
   1399       4.2047      0.00000
   1400       4.2194      0.00000
   1401       4.2383      0.00000
   1402       4.2590      0.00000
   1403       4.2658      0.00000
   1404       4.2826      0.00000
   1405       4.3016      0.00000
   1406       4.3185      0.00000
   1407       4.3274      0.00000
   1408       4.3335      0.00000
   1409       4.3498      0.00000
   1410       4.3680      0.00000
   1411       4.3785      0.00000
   1412       4.4026      0.00000
   1413       4.4092      0.00000
   1414       4.4140      0.00000
   1415       4.4199      0.00000
   1416       4.4486      0.00000
   1417       4.4645      0.00000
   1418       4.4737      0.00000
   1419       4.4859      0.00000
   1420       4.4987      0.00000
   1421       4.5072      0.00000
   1422       4.5158      0.00000
   1423       4.5379      0.00000
   1424       4.5455      0.00000
   1425       4.5773      0.00000
   1426       4.5876      0.00000
   1427       4.6116      0.00000
   1428       4.6200      0.00000
   1429       4.6326      0.00000
   1430       4.6468      0.00000
   1431       4.6573      0.00000
   1432       4.6935      0.00000
   1433       4.7029      0.00000
   1434       4.7358      0.00000
   1435       4.7656      0.00000
   1436       4.7890      0.00000
   1437       4.8099      0.00000
   1438       4.8273      0.00000
   1439       4.8421      0.00000
   1440       4.8639      0.00000
   1441       4.8860      0.00000
   1442       4.8953      0.00000
   1443       4.9117      0.00000
   1444       4.9538      0.00000
   1445       4.9596      0.00000
   1446       4.9703      0.00000
   1447       4.9820      0.00000
   1448       4.9906      0.00000
   1449       5.0074      0.00000
   1450       5.0198      0.00000
   1451       5.0316      0.00000
   1452       5.0431      0.00000
   1453       5.0636      0.00000
   1454       5.0807      0.00000
   1455       5.0984      0.00000
   1456       5.1249      0.00000
   1457       5.1289      0.00000
   1458       5.1443      0.00000
   1459       5.1487      0.00000
   1460       5.1691      0.00000
   1461       5.1760      0.00000
   1462       5.2091      0.00000
   1463       5.2284      0.00000
   1464       5.2435      0.00000
   1465       5.2564      0.00000
   1466       5.2597      0.00000
   1467       5.2862      0.00000
   1468       5.3096      0.00000
   1469       5.3206      0.00000
   1470       5.3254      0.00000
   1471       5.3354      0.00000
   1472       5.3525      0.00000
   1473       5.3595      0.00000
   1474       5.3619      0.00000
   1475       5.3741      0.00000
   1476       5.3943      0.00000
   1477       5.3982      0.00000
   1478       5.4013      0.00000
   1479       5.4163      0.00000
   1480       5.4352      0.00000
   1481       5.4431      0.00000
   1482       5.4530      0.00000
   1483       5.4715      0.00000
   1484       5.4757      0.00000
   1485       5.4844      0.00000
   1486       5.4902      0.00000
   1487       5.5079      0.00000
   1488       5.5160      0.00000
   1489       5.5161      0.00000
   1490       5.5261      0.00000
   1491       5.5320      0.00000
   1492       5.5376      0.00000
   1493       5.5514      0.00000
   1494       5.5535      0.00000
   1495       5.5621      0.00000
   1496       5.5720      0.00000
   1497       5.5801      0.00000
   1498       5.5843      0.00000
   1499       5.5983      0.00000
   1500       5.6062      0.00000
   1501       5.6208      0.00000
   1502       5.6279      0.00000
   1503       5.6400      0.00000
   1504       5.6431      0.00000
   1505       5.6669      0.00000
   1506       5.6745      0.00000
   1507       5.6794      0.00000
   1508       5.6848      0.00000
   1509       5.6890      0.00000
   1510       5.7068      0.00000
   1511       5.7075      0.00000
   1512       5.7146      0.00000
   1513       5.7310      0.00000
   1514       5.7320      0.00000
   1515       5.7477      0.00000
   1516       5.7595      0.00000
   1517       5.7730      0.00000
   1518       5.7771      0.00000
   1519       5.7886      0.00000
   1520       5.7960      0.00000
   1521       5.8075      0.00000
   1522       5.8227      0.00000
   1523       5.8303      0.00000
   1524       5.8342      0.00000
   1525       5.8463      0.00000
   1526       5.8484      0.00000
   1527       5.8538      0.00000
   1528       5.8721      0.00000
   1529       5.8833      0.00000
   1530       5.8981      0.00000
   1531       5.9107      0.00000
   1532       5.9188      0.00000
   1533       5.9259      0.00000
   1534       5.9363      0.00000
   1535       5.9410      0.00000
   1536       5.9463      0.00000
   1537       5.9610      0.00000
   1538       5.9713      0.00000
   1539       5.9792      0.00000
   1540       5.9872      0.00000
   1541       6.0001      0.00000
   1542       6.0102      0.00000
   1543       6.0127      0.00000
   1544       6.0243      0.00000
   1545       6.0303      0.00000
   1546       6.0396      0.00000
   1547       6.0513      0.00000
   1548       6.0560      0.00000
   1549       6.0722      0.00000
   1550       6.0856      0.00000
   1551       6.0950      0.00000
   1552       6.1000      0.00000
   1553       6.1113      0.00000
   1554       6.1155      0.00000
   1555       6.1215      0.00000
   1556       6.1250      0.00000
   1557       6.1349      0.00000
   1558       6.1409      0.00000
   1559       6.1455      0.00000
   1560       6.1579      0.00000
   1561       6.1619      0.00000
   1562       6.1775      0.00000
   1563       6.1913      0.00000
   1564       6.1962      0.00000
   1565       6.2111      0.00000
   1566       6.2185      0.00000
   1567       6.2240      0.00000
   1568       6.2290      0.00000
   1569       6.2360      0.00000
   1570       6.2417      0.00000
   1571       6.2496      0.00000
   1572       6.2628      0.00000
   1573       6.2723      0.00000
   1574       6.2770      0.00000
   1575       6.2836      0.00000
   1576       6.2903      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.086  13.409  -0.001   0.001   0.000   0.002  -0.004   0.000
 13.409  17.827  -0.001   0.002   0.000   0.003  -0.006   0.000
 -0.001  -0.001  -4.230   0.003   0.001   8.273  -0.004  -0.001
  0.001   0.002   0.003  -4.230   0.001  -0.004   8.272  -0.001
  0.000   0.000   0.001   0.001  -4.223  -0.001  -0.001   8.264
  0.002   0.003   8.273  -0.004  -0.001 -18.309   0.007   0.001
 -0.004  -0.006  -0.004   8.272  -0.001   0.007 -18.305   0.001
  0.000   0.000  -0.001  -0.001   8.264   0.001   0.001 -18.299
 total augmentation occupancy for first ion, spin component:           1
  8.563  -3.870   0.155   0.138  -0.050   0.019   0.026  -0.008
 -3.870   1.823  -0.078  -0.094   0.028  -0.008  -0.015   0.004
  0.155  -0.078   1.797  -0.058  -0.039   0.170  -0.011  -0.007
  0.138  -0.094  -0.058   1.915  -0.074  -0.011   0.179  -0.010
 -0.050   0.028  -0.039  -0.074   1.222  -0.007  -0.010   0.081
  0.019  -0.008   0.170  -0.011  -0.007   0.018  -0.002  -0.001
  0.026  -0.015  -0.011   0.179  -0.010  -0.002   0.018  -0.001
 -0.008   0.004  -0.007  -0.010   0.081  -0.001  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -53017.58014104313.13513 30008.31540-12456.82818  6770.22234 23145.09186
  Hartree  2390.08874131134.30308 68244.51745-12751.85283  4745.68369 17591.23201
  E(xc)  -10743.75600-10598.52498-10642.34704     2.43398     8.01265    31.06916
  Local   17218.99443************************ 25195.96956-11550.56127-40168.79621
  n-local -5860.34360 -5987.77053 -6046.66082     5.38728    17.33619   -61.38392
  augment  1491.66190  1537.27171  1487.02388     4.95428    13.20773    -1.74493
  Kinetic 45575.25729 43256.26201 43781.53035   -27.28961   -77.05151  -534.77593
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -37.8186625   -383.4822653    -70.3332208    -27.2255147    -73.1501903      0.6920471
  in kB       -6.3065647    -63.9487373    -11.7286275     -4.5400725    -12.1983798      0.1154044
  external PRESSURE =     -27.3279765 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.262E+03 -.120E+03 0.251E+03   0.262E+03 0.121E+03 -.252E+03   -.414E-01 -.543E+00 0.144E+01   0.808E-04 0.131E-04 -.409E-04
   -.216E+03 -.143E+03 0.522E+02   0.216E+03 0.144E+03 -.519E+02   0.280E+00 -.121E+01 -.456E+00   0.614E-04 0.473E-04 -.284E-04
   -.187E+03 -.129E+03 0.418E+01   0.187E+03 0.130E+03 -.259E+01   0.298E+00 -.117E+01 -.156E+01   0.420E-04 0.507E-05 0.192E-04
   -.242E+03 -.106E+03 0.350E+03   0.242E+03 0.106E+03 -.352E+03   -.239E+00 -.126E+00 0.246E+01   0.104E-03 -.351E-04 -.239E-04
   -.193E+03 -.154E+03 0.311E+03   0.193E+03 0.155E+03 -.312E+03   0.231E+00 -.731E+00 0.967E+00   0.294E-04 -.564E-04 -.749E-05
   -.171E+03 -.119E+03 0.171E+03   0.171E+03 0.119E+03 -.172E+03   0.108E+00 -.889E-01 -.110E-01   -.190E-04 -.392E-04 0.331E-04
   -.272E+03 -.137E+03 0.182E+03   0.271E+03 0.142E+03 -.182E+03   0.391E+00 -.452E+01 0.643E+00   0.142E-03 -.225E-04 -.122E-03
   -.198E+03 -.119E+03 0.277E+02   0.198E+03 0.123E+03 -.293E+02   -.495E+00 -.403E+01 0.203E+01   0.825E-04 0.577E-04 -.721E-04
   -.121E+03 0.864E+01 0.203E+03   0.121E+03 -.871E+01 -.203E+03   0.202E+00 -.310E-01 0.558E-01   -.705E-04 -.313E-04 0.329E-04
   -.974E+02 0.900E+02 0.667E+02   0.970E+02 -.915E+02 -.657E+02   0.461E+00 0.132E+01 -.120E+01   -.236E-04 -.430E-04 0.474E-04
   -.110E+03 0.116E+03 0.137E+03   0.110E+03 -.117E+03 -.137E+03   0.195E+00 0.100E+01 -.888E-02   -.484E-04 -.400E-04 -.963E-05
   -.128E+03 0.737E+01 0.340E+03   0.128E+03 -.796E+01 -.341E+03   -.194E+00 0.272E+00 0.110E+01   -.109E-03 0.457E-04 -.384E-04
   -.132E+03 -.310E+02 0.374E+03   0.132E+03 0.320E+02 -.376E+03   -.159E+00 -.865E+00 0.236E+01   -.121E-03 0.793E-04 -.900E-04
   -.134E+03 0.363E+02 0.312E+03   0.134E+03 -.364E+02 -.314E+03   0.256E-01 -.253E-01 0.153E+01   -.103E-03 -.275E-04 -.542E-04
   -.135E+03 0.123E+03 0.274E+03   0.134E+03 -.128E+03 -.275E+03   0.463E+00 0.407E+01 0.205E+01   -.290E-04 0.499E-04 -.865E-04
   -.105E+03 0.126E+03 0.110E+03   0.105E+03 -.129E+03 -.114E+03   0.220E+00 0.298E+01 0.341E+01   0.190E-06 -.613E-04 0.351E-04
   -.101E+03 0.123E+03 0.628E+02   0.102E+03 -.118E+03 -.587E+02   -.549E+00 -.476E+01 -.400E+01   0.499E-04 0.313E-04 0.283E-04
   -.299E+02 0.208E+03 -.155E+03   0.291E+02 -.210E+03 0.157E+03   0.529E+00 0.159E+01 -.203E+01   0.996E-04 -.155E-05 -.297E-04
   0.518E+01 0.155E+03 -.207E+03   -.555E+01 -.155E+03 0.209E+03   0.413E+00 0.178E-01 -.203E+01   0.101E-03 0.217E-04 0.308E-05
   -.883E+02 0.127E+03 0.193E+03   0.892E+02 -.127E+03 -.196E+03   -.964E+00 -.819E+00 0.307E+01   0.695E-04 -.110E-04 0.560E-04
   -.181E+02 0.852E+02 -.691E+01   0.167E+02 -.868E+02 0.831E+01   0.141E+01 0.148E+01 -.996E+00   0.980E-04 -.288E-04 0.192E-04
   -.275E+02 0.156E+02 -.148E+03   0.277E+02 -.156E+02 0.149E+03   -.278E+00 0.310E+00 -.782E+00   0.841E-04 0.221E-05 0.150E-04
   -.642E+02 -.290E+02 -.187E+03   0.646E+02 0.293E+02 0.186E+03   -.372E+00 -.423E+00 0.679E+00   0.826E-04 -.309E-04 0.310E-04
   -.593E+02 -.700E+02 -.244E+03   0.604E+02 0.717E+02 0.243E+03   -.114E+01 -.155E+01 0.125E+01   0.998E-04 0.223E-04 0.318E-04
   -.370E+02 -.155E+03 -.356E+03   0.366E+02 0.156E+03 0.358E+03   0.432E+00 -.307E+00 -.183E+01   0.606E-04 -.137E-04 0.478E-04
   -.125E+03 -.171E+03 -.170E+03   0.125E+03 0.171E+03 0.168E+03   -.716E+00 -.481E+00 0.188E+01   0.942E-04 -.585E-04 0.196E-04
   -.100E+03 -.292E+03 -.205E+03   0.101E+03 0.293E+03 0.204E+03   -.142E+00 -.905E+00 0.277E+00   0.501E-04 -.659E-04 0.355E-04
   -.555E+02 -.264E+03 -.313E+03   0.555E+02 0.266E+03 0.314E+03   0.132E+00 -.111E+01 -.609E+00   0.250E-04 -.676E-04 0.620E-04
   -.521E+02 -.163E+02 -.234E+03   0.578E+02 0.243E+02 0.229E+03   -.562E+01 -.783E+01 0.513E+01   0.124E-03 0.985E-05 0.561E-04
   -.254E+02 0.496E+02 0.356E+02   0.203E+02 -.584E+02 -.305E+02   0.496E+01 0.882E+01 -.453E+01   0.213E-03 -.335E-04 0.599E-04
   -.223E+03 -.272E+02 -.435E+02   0.223E+03 0.272E+02 0.451E+02   -.673E-01 -.201E+00 -.176E+01   0.680E-04 0.108E-03 -.820E-05
   -.156E+03 -.153E+03 0.134E+03   0.156E+03 0.154E+03 -.134E+03   0.359E-02 -.133E+01 -.295E+00   0.516E-04 0.620E-04 0.787E-05
   -.172E+03 -.155E+03 0.171E+03   0.172E+03 0.157E+03 -.172E+03   0.135E+00 -.156E+01 0.958E+00   0.453E-04 0.987E-05 0.743E-05
   -.327E+03 0.874E+01 -.166E+03   0.327E+03 -.107E+02 0.169E+03   0.405E+00 0.180E+01 -.294E+01   0.518E-04 0.102E-03 -.814E-05
   -.312E+03 -.721E+02 -.195E+03   0.312E+03 0.724E+02 0.197E+03   0.304E+00 -.570E-01 -.134E+01   0.420E-04 0.360E-04 0.138E-04
   -.238E+03 -.720E+02 -.151E+02   0.238E+03 0.718E+02 0.153E+02   0.288E+00 0.191E+00 0.104E-02   0.439E-04 0.484E-05 -.270E-05
   -.122E+03 -.577E+02 0.295E+00   0.123E+03 0.626E+02 0.186E+01   -.573E+00 -.411E+01 -.248E+01   0.530E-04 0.526E-04 -.418E-04
   -.726E+02 -.143E+03 0.115E+03   0.729E+02 0.146E+03 -.111E+03   -.231E+00 -.304E+01 -.385E+01   0.233E-04 0.477E-04 -.205E-04
   -.208E+03 0.487E+02 -.243E+02   0.208E+03 -.489E+02 0.243E+02   0.181E+00 0.334E+00 -.138E+00   0.238E-04 -.332E-04 -.110E-04
   -.121E+03 0.635E+02 0.182E+03   0.121E+03 -.648E+02 -.184E+03   0.223E+00 0.110E+01 0.175E+01   0.244E-04 -.881E-05 -.172E-04
   -.859E+02 0.866E+02 0.102E+03   0.860E+02 -.881E+02 -.103E+03   -.282E+00 0.148E+01 0.274E+00   0.142E-04 -.172E-04 -.310E-04
   -.236E+03 0.866E+02 -.238E+03   0.236E+03 -.876E+02 0.239E+03   -.479E-01 0.839E+00 -.988E+00   0.210E-04 -.478E-04 -.413E-04
   -.191E+03 0.412E+02 -.310E+03   0.191E+03 -.413E+02 0.312E+03   0.271E+00 0.154E+00 -.224E+01   0.305E-04 -.701E-04 -.114E-03
   -.118E+03 0.653E+02 -.165E+03   0.118E+03 -.661E+02 0.167E+03   -.748E-02 0.872E+00 -.136E+01   0.194E-04 -.550E-04 -.804E-04
   -.592E+02 0.109E+03 -.100E+03   0.589E+02 -.114E+03 0.100E+03   0.388E+00 0.476E+01 -.311E+00   0.208E-04 -.115E-04 -.866E-04
   -.175E+02 0.886E+02 0.134E+03   0.171E+02 -.929E+02 -.133E+03   0.622E+00 0.442E+01 -.203E+01   0.871E-05 -.279E-04 -.277E-04
   0.354E+02 0.576E+02 0.971E+02   -.339E+02 -.518E+02 -.990E+02   -.129E+01 -.580E+01 0.175E+01   0.237E-05 0.190E-04 -.224E-04
   -.149E+01 0.136E+03 0.279E+03   0.256E+01 -.137E+03 -.282E+03   -.107E+01 0.119E+01 0.241E+01   0.175E-04 0.130E-04 0.468E-04
   -.349E+02 0.132E+03 0.246E+03   0.359E+02 -.132E+03 -.248E+03   -.106E+01 -.401E+00 0.178E+01   0.349E-04 0.219E-04 0.285E-04
   0.437E+02 0.830E+02 -.617E+02   -.445E+02 -.832E+02 0.650E+02   0.689E+00 0.101E+00 -.341E+01   -.136E-04 0.188E-04 -.832E-04
   0.646E+01 0.349E+02 0.245E+02   -.587E+01 -.360E+02 -.266E+02   -.470E+00 0.954E+00 0.189E+01   -.116E-04 -.948E-05 -.486E-04
   -.851E+01 0.178E+02 0.901E+02   0.902E+01 -.174E+02 -.910E+02   -.438E+00 -.300E+00 0.763E+00   0.918E-05 0.157E-05 -.154E-04
   -.950E+02 -.118E+01 0.453E+02   0.949E+02 0.116E+01 -.446E+02   0.389E-01 -.982E-02 -.566E+00   0.244E-04 0.149E-04 -.684E-04
   -.194E+03 -.192E+02 0.103E+03   0.194E+03 0.201E+02 -.102E+03   0.691E+00 -.764E+00 -.162E+01   0.104E-03 0.806E-05 -.528E-04
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   -.158E+03 0.514E+03 -.122E+03   0.179E+03 -.565E+03 0.123E+03   -.206E+02 0.504E+02 -.143E+01   -.453E-03 0.934E-04 0.148E-03
   -.301E+03 -.409E+03 -.124E+03   0.338E+03 0.445E+03 0.135E+03   -.372E+02 -.363E+02 -.104E+02   -.448E-03 -.311E-04 0.381E-04
   0.525E+03 -.111E+03 -.962E+02   -.570E+03 0.136E+03 0.958E+02   0.445E+02 -.254E+02 0.256E+00   -.102E-03 -.231E-03 -.221E-04
   0.168E+03 0.149E+03 -.248E+03   -.168E+03 -.177E+03 0.297E+03   0.694E+00 0.278E+02 -.484E+02   -.161E-03 0.498E-04 -.616E-04
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   -.374E+03 0.407E+03 -.551E+02   0.402E+03 -.452E+03 0.675E+02   -.270E+02 0.447E+02 -.123E+02   -.420E-04 0.107E-03 0.240E-03
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   0.665E+03 -.172E+03 0.186E+03   -.702E+03 0.199E+03 -.158E+03   0.363E+02 -.267E+02 -.284E+02   0.191E-03 -.116E-03 0.310E-03
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   0.802E+03 0.142E+03 0.524E+03   -.833E+03 -.156E+03 -.570E+03   0.303E+02 0.142E+02 0.453E+02   0.374E-03 -.228E-03 0.614E-03
   0.144E+03 -.116E+03 -.411E+03   -.128E+03 0.123E+03 0.464E+03   -.166E+02 -.702E+01 -.526E+02   -.148E-03 -.117E-03 0.155E-03
   0.553E+03 0.442E+03 -.261E+03   -.590E+03 -.477E+03 0.269E+03   0.369E+02 0.351E+02 -.792E+01   0.507E-05 0.346E-04 0.269E-03
   -.356E+02 0.217E+03 0.966E+02   0.735E+02 -.239E+03 -.125E+03   -.379E+02 0.225E+02 0.289E+02   -.313E-03 0.201E-03 0.384E-03
   -.562E+03 -.258E+03 0.509E+03   0.607E+03 0.279E+03 -.528E+03   -.451E+02 -.209E+02 0.190E+02   -.399E-04 -.907E-04 0.458E-04
   0.530E+02 -.395E+03 0.441E+02   -.833E+02 0.431E+03 -.215E+02   0.304E+02 -.363E+02 -.226E+02   0.575E-05 -.108E-03 0.199E-04
   -.124E+03 0.293E+02 0.286E+02   0.135E+03 -.610E+02 0.171E+02   -.119E+02 0.316E+02 -.453E+02   -.138E-03 0.169E-03 0.772E-04
   0.779E+03 -.122E+03 0.815E+02   -.813E+03 0.148E+03 -.114E+03   0.344E+02 -.262E+02 0.329E+02   0.520E-03 0.168E-03 0.284E-04
   0.105E+03 0.372E+03 0.162E+03   -.718E+02 -.403E+03 -.193E+03   -.333E+02 0.306E+02 0.296E+02   -.262E-03 0.342E-03 0.922E-04
   0.768E+03 0.267E+03 0.136E+03   -.802E+03 -.299E+03 -.112E+03   0.341E+02 0.329E+02 -.250E+02   0.612E-03 -.992E-04 0.241E-03
   0.728E+03 -.104E+03 -.500E+03   -.735E+03 0.113E+03 0.551E+03   0.711E+01 -.961E+01 -.512E+02   0.263E-03 0.285E-03 -.867E-03
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   0.164E+03 -.512E+03 -.258E+03   -.183E+03 0.548E+03 0.295E+03   0.199E+02 -.352E+02 -.368E+02   0.198E-03 -.157E-03 -.126E-03
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   0.281E+03 0.163E+03 0.110E+03   -.314E+03 -.169E+03 -.153E+03   0.336E+02 0.543E+01 0.426E+02   0.828E-04 -.300E-04 -.435E-05
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   -.717E+02 -.118E+02 0.132E+03   0.956E+02 0.183E+01 -.179E+03   -.238E+02 0.100E+02 0.471E+02   -.117E-03 0.227E-03 -.240E-03
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   0.172E+03 -.504E+03 -.112E+03   -.198E+03 0.534E+03 0.145E+03   0.265E+02 -.300E+02 -.336E+02   0.179E-03 -.259E-03 -.246E-03
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   -.211E+03 0.206E+03 0.657E+03   0.248E+03 -.233E+03 -.684E+03   -.367E+02 0.263E+02 0.271E+02   -.115E-03 0.116E-03 -.339E-03
   0.957E+02 0.415E+03 0.299E+03   -.129E+03 -.447E+03 -.280E+03   0.338E+02 0.325E+02 -.196E+02   0.115E-03 0.187E-03 -.138E-03
 -----------------------------------------------------------------------------------------------
   0.139E+02 0.543E+01 0.158E+02   0.102E-10 -.404E-11 -.449E-11   -.139E+02 -.542E+01 -.158E+02   -.957E-03 0.811E-03 -.647E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.97534      3.15919      1.40209         0.012873      0.195711     -0.044327
     12.77421      3.57743      2.71074         0.091116      0.023483     -0.141065
     12.73507      4.94663      3.03088         0.014215      0.034247      0.024319
     13.00214      4.08248      0.36543        -0.023026     -0.249840     -0.026662
     12.93053      5.43379      0.68103         0.019779      0.247916     -0.028227
     12.85631      5.92902      2.00922         0.064426      0.090304     -0.192344
     13.09962      1.68634      1.36014        -0.232850      0.128270      0.205799
     12.60237      2.33146      3.53374        -0.173146      0.029658      0.378670
     12.95472      7.43064      2.24274         0.162077     -0.093755     -0.135349
     12.93015      8.04024      3.52361         0.090276     -0.113322     -0.158271
     13.23737      9.39844      3.65878        -0.028440      0.006245      0.084950
     13.18429      8.30858      1.14357        -0.064760     -0.320324     -0.102195
     13.40006      9.67771      1.27805        -0.077410      0.153730      0.095648
     13.44744     10.21359      2.55937         0.136089     -0.091244     -0.019243
     13.67346     11.61166      3.01037        -0.204000     -0.885693      0.852192
     13.38070     10.23980      4.88731        -0.116506      0.245587     -0.239094
     13.73446     12.73974      5.31765        -0.106342     -0.141908      0.161901
     13.42365     12.64626      6.67568        -0.210065     -0.268457      0.230664
     13.42342     13.75779      7.52277         0.038885     -0.280887     -0.191162
     14.04051     14.02766      4.87176         0.013288     -0.045094     -0.037306
     14.04140     15.13587      5.73458        -0.037462     -0.184859      0.399927
     13.77092     15.06578      7.15035        -0.085079      0.282015      0.199108
     13.82160     16.20059      8.22281        -0.004016     -0.138850     -0.109011
     13.27099     16.14452      9.56170        -0.022041      0.092505     -0.006681
     13.36625     17.24668     10.43386         0.002648      0.120987      0.062045
     14.40423     17.46789      7.94215         0.083490     -0.232108      0.028075
     14.40669     18.58026      8.78532         0.130780     -0.063251     -0.046739
     13.90967     18.47079     10.07297         0.132066      0.082066     -0.040430
     12.49647     15.01538     10.21921         0.080972      0.197211     -0.027767
     14.57868     16.35116      5.06862        -0.132079      0.061606      0.558418
      9.67626      3.86419      4.79620         0.096484     -0.141686     -0.129132
      9.76397      4.79195      3.77694        -0.041229     -0.054511     -0.123078
      9.91207      6.14892      4.08607         0.006300      0.150220     -0.038643
      9.70772      4.24374      6.12524         0.158661     -0.172210     -0.054047
      9.77172      5.58946      6.43931         0.164376      0.245020     -0.104563
      9.90339      6.58535      5.43554         0.004424      0.004398      0.211352
      9.47600      2.50734      4.24498         0.239982      0.754714     -0.327725
      9.68000      4.03898      2.47598         0.075513     -0.096732     -0.042931
     10.00908      8.03206      5.82997         0.047044      0.085995     -0.171237
     10.18755      9.05014      4.85886        -0.033139     -0.182821     -0.046876
     10.26637     10.37918      5.24966        -0.179764      0.042224     -0.099459
      9.91171      8.45205      7.18233         0.010862     -0.244844     -0.119830
      9.98490      9.79153      7.56824         0.179381      0.075954      0.030675
     10.16646     10.75063      6.58124         0.080717      0.017896     -0.023834
     10.27434     12.22251      6.67268         0.166401     -0.339475     -0.389682
     10.40929     11.61927      4.43736         0.252309      0.045953     -1.028250
     10.79526     14.08706      4.99583         0.162379      0.042211     -0.119333
     11.31356     14.41577      3.74068        -0.002857     -0.031785     -0.255287
     11.72284     15.71816      3.44064        -0.045714     -0.015628     -0.033336
     10.74251     15.14860      5.91482        -0.082740     -0.115432     -0.126818
     11.05511     16.48580      5.57768         0.120340     -0.182988     -0.236275
     11.58063     16.85148      4.26687         0.068300      0.115833     -0.184494
     12.03298     18.24927      3.72925        -0.076858     -0.028989      0.126960
     12.54611     18.65068      2.42548         0.089513      0.190090      0.029631
     12.77864     20.01086      2.10589         0.066283     -0.134554      0.081169
     11.92843     19.35256      4.60011        -0.043436      0.042884     -0.138044
     12.17275     20.68766      4.28558        -0.140175      0.123647      0.262333
     12.57688     21.06518      3.00772         0.058492      0.020094      0.145955
     12.91543     17.76749      1.22236        -0.110043      0.410727      0.378000
     10.80224     17.40936      6.75401        -0.054264      0.088569     -0.154308
     10.30210      7.11400     14.62227        -0.050171      0.287296      0.141594
     10.17151      7.53834     15.93776         0.086875      0.342146     -0.002791
     10.17727      8.92000     16.26219         0.073919     -0.357440      0.106304
     10.30943      8.06738     13.59826         0.011400     -0.249309     -0.086902
     10.28407      9.42593     13.91974         0.055759      0.211770      0.228456
     10.28074      9.91932     15.25999         0.000738      0.190850     -0.320508
     10.33219      5.63078     14.61243         0.513041     -1.782513     -1.830887
      9.96001      6.29952     16.77644         0.049121     -0.072826      0.392097
     10.35812     11.44036     15.52854         0.101870     -0.164301     -0.119066
     10.31706     12.02313     16.82953         0.145366     -0.092968     -0.081049
     10.51324     13.40630     17.00977         0.050524     -0.008509     -0.076101
     10.52037     12.36030     14.44538        -0.007228     -0.349543      0.062106
     10.67475     13.73725     14.62382        -0.074724      0.041903      0.097981
     10.69065     14.24872     15.91915         0.060326     -0.117869     -0.032549
     10.82163     15.65913     16.37849        -0.154154     -0.678218      0.391730
     10.53456     14.27301     18.24829         0.018207      0.002914     -0.331270
     10.67343     16.84733     18.64753        -0.152504     -0.224584      0.064267
     10.19830     16.78536     19.95784        -0.186512     -0.269850      0.053390
      9.98588     17.93293     20.72927        -0.010490     -0.152606     -0.110003
     10.98312     18.14964     18.20449         0.067860     -0.119578      0.043184
     10.89384     19.28526     19.04323         0.145521     -0.116675      0.135165
     10.37661     19.24187     20.39715        -0.099560      0.280747      0.220856
     10.18138     20.39815      0.18531        -0.010787     -0.331470     -0.131818
      9.62769     20.30733      1.53015         0.090267      0.140822     -0.093623
      9.48648      0.19006      2.34718        -0.213686      0.003620      0.090854
     10.55364      0.47579     21.15598         0.006125      0.238491     -0.068470
     10.20896      1.62210      0.62843         0.255504      0.161197      0.013428
      9.69346      1.50893      1.91946         0.055350     -0.023591     -0.094579
      9.06816     19.09348      2.26815        -0.122518      0.193977      0.032079
     11.41311     20.53704     18.38040        -0.079681     -0.167085      0.375605
      7.06409      7.65085     17.50470         0.217737      0.078994      0.006716
      7.12552      8.59599     16.49456        -0.091064     -0.071891     -0.140115
      7.24193      9.96050     16.79531         0.022540     -0.001240     -0.081859
      7.15170      8.03258     18.84037         0.238860     -0.156894     -0.287902
      7.19063      9.38945     19.14271         0.122010      0.212919     -0.026104
      7.22975     10.40295     18.14231         0.116733     -0.024868     -0.010165
      6.80732      6.31213     16.91951         0.437230      0.359192     -0.062086
      7.01528      7.85072     15.18773         0.339986      0.192406     -0.355170
      7.25837     11.86569     18.52885        -0.027044     -0.050073      0.018705
      7.40102     12.94171     17.60993        -0.081432     -0.156337     -0.175684
      7.35090     14.26429     18.05682        -0.178153      0.047734      0.004144
      7.13400     12.22489     19.89041         0.040889     -0.277104     -0.125738
      7.13208     13.54032     20.33600         0.189216      0.206279      0.075150
      7.20062     14.56418     19.40423         0.066171     -0.076399     -0.066786
      7.19353     16.02974     19.58377         0.079143      0.186755     -0.000332
      7.46900     15.56501     17.32859         0.177108      0.163100     -0.778428
      7.59016     18.03181     18.05378         0.238455      0.076983     -0.252005
      8.29307     18.44080     16.91547         0.014243     -0.269965     -0.253419
      8.62605     19.77458     16.70424         0.048125     -0.029026     -0.052040
      7.27245     19.06749     18.95285        -0.162064     -0.159261     -0.043216
      7.44616     20.43459     18.62596         0.149788      0.001450     -0.041632
      8.17015     20.87352     17.45025         0.194360     -0.046864     -0.241273
      8.63376      1.00738     16.95917         0.067438      0.259470     -0.049825
      9.16503      1.35282     15.64543         0.297713     -0.100598      0.203525
      9.56479      2.67581     15.33202         0.150512      0.252536      0.203558
      8.64665      2.12803     17.82784        -0.130523      0.000869      0.179523
      9.09042      3.42253     17.52026        -0.068845      0.297055      0.228562
      9.55602      3.75400     16.23924         0.210900      0.181856      0.193856
      9.57040      0.43946     14.46127        -0.254146     -0.738672     -0.481143
      6.88895      0.09642     19.68436         0.005678     -0.013876     -0.205817
      6.96589     10.87232      6.11633         0.012518      0.052304     -0.005836
      6.80476     11.32424      7.41686         0.048006     -0.054825      0.014633
      6.91415     12.68297      7.73080        -0.029756      0.120450      0.083448
      7.28825     11.75322      5.09456        -0.070164     -0.069984     -0.007150
      7.40848     13.10495      5.40988        -0.097306      0.259396      0.048889
      7.20003     13.63476      6.71417        -0.100438     -0.079541     -0.054308
      6.92518      9.39741      6.09672        -0.180582      0.072858      0.528730
      6.66822     10.10800      8.28909         0.036020     -0.099034     -0.246571
      7.29795     15.12736      6.94928        -0.056761      0.026445     -0.072076
      7.09083     15.77033      8.19698         0.032699     -0.082877      0.000004
      7.21508     17.16573      8.30945         0.003908     -0.051151      0.143103
      7.63096     15.97991      5.86227        -0.155428     -0.213190      0.014577
      7.65491     17.36369      5.95648        -0.099960      0.160481      0.101458
      7.44990     17.96016      7.20194        -0.016241     -0.030476     -0.009030
      7.67632     19.36886      7.63605        -0.175767     -0.188763      0.616381
      7.29433     18.04837      9.52686         0.172721      0.433574     -0.893598
      7.62631     20.58837      9.92371        -0.204770     -0.088586      0.117979
      7.14620     20.56569     11.24013        -0.067097     -0.315003      0.074234
      6.98747      0.46431     12.01221         0.123868      0.016031      0.048803
      8.02336      0.61093      9.51538         0.076745     -0.125544      0.010481
      8.06875      1.72901     10.39185         0.020814     -0.080224      0.031774
      7.50999      1.75267     11.71769         0.075924      0.027642      0.293339
      7.43832      2.94662     12.77212         0.041600     -0.234045     -0.219933
      6.88830      2.86968     14.11728         0.410771      0.523754     -0.198312
      6.76606      4.01209     14.94421        -0.293466      0.118792      0.093935
      7.89753      4.27447     12.51057        -0.171189      0.302538      0.135779
      7.64911      5.42749     13.30026         0.281788     -0.137725     -0.048875
      7.07897      5.33251     14.57170        -0.015192     -0.328619     -0.066555
      6.23914      1.68361     14.78018        -0.755045     -0.251394      0.635992
      8.80136      2.88254      9.78127        -0.151159      0.005008      0.417821
      4.07236     11.49885     10.74869         0.116063     -0.015038     -0.129926
      3.80559     12.36456      9.70093         0.098303      0.027980     -0.144734
      3.85133     13.74435      9.87033         0.157994      0.087419     -0.012600
      4.40843     11.99048     12.00042         0.085936     -0.052717     -0.186241
      4.45608     13.37241     12.17782         0.130927      0.297663     -0.077337
      4.19172     14.29695     11.12839         0.115968     -0.017538     -0.037264
      3.84561     10.10914     10.30153         0.024931      0.086834     -0.282269
      3.41831     11.55219      8.51096         0.220808     -0.243486      0.387773
      4.28303     15.78791     11.33963        -0.005434      0.079719     -0.187159
      4.07573     16.73778     10.29931        -0.085893     -0.038877     -0.130491
      4.12669     18.11455     10.57163        -0.008357      0.000754     -0.218880
      4.64706     16.30335     12.60323         0.097789     -0.212150     -0.020157
      4.76491     17.66370     12.85965         0.089237      0.168695     -0.101695
      4.41322     18.56090     11.85131         0.097743      0.045908      0.151643
      4.32105     20.03355     11.87948         0.124260      0.297874     -0.017740
      4.11420     19.34140      9.68558         0.098632      0.213664     -1.200955
      4.41983      0.64355     10.14468        -0.038210      0.230561     -0.261931
      4.79558      0.97572      8.83871         0.014745     -0.359372     -0.172613
      5.19686      2.26853      8.48701         0.115821     -0.000885      0.034464
      4.35036      1.76426     10.99865        -0.040941     -0.052242     -0.097347
      4.70671      3.10372     10.63758         0.260235     -0.330268     -0.264088
      5.29676      3.40577      9.33480         0.160047      0.084480     -0.310912
      5.93436      4.77885      8.74520        -0.113908     -0.057993      0.341293
      6.47003      5.08752      7.43283        -0.241324      0.098105      0.154986
      6.73360      6.42593      7.00194        -0.029276     -0.120589      0.155707
      5.88800      5.94523      9.52836        -0.022339      0.126433      0.218667
      6.17604      7.25292      9.13526         0.075514     -0.161914      0.224366
      6.55076      7.55075      7.82824         0.139342      0.144796      0.259040
      6.56453      4.05167      6.33099         0.160638      0.051821      0.297308
      4.43390      4.02637     11.82668        -0.037507      0.363025     -0.141272
      1.07017     14.30323      0.82558        -0.165207      0.005584     -0.080447
      1.65257     14.72130      2.01125         0.090680      0.173545      0.073868
      1.65428     16.10912      2.33379        -0.057144     -0.291056     -0.142550
      0.63078     15.20402     21.11854         0.066697     -0.303152      0.067356
      0.70114     16.55266      0.15097        -0.069444      0.144746     -0.045953
      1.12582     17.06062      1.40268        -0.157742      0.004923      0.106507
      1.03977     12.83173      0.76582        -0.313761     -0.329296     -0.309474
      2.28169     13.45003      2.62306        -0.993691      0.398099     -1.223369
      0.98113     18.56434      1.60632         0.002433     -0.126045     -0.159039
      1.33579     19.26188      2.78585         0.084895     -0.096613     -0.008549
      1.17123     20.64898      2.84005        -0.021578      0.141716     -0.032024
      0.49165     19.36285      0.52518         0.133466     -0.532951      0.096253
      0.32256     20.73327      0.58833        -0.092761      0.146824     -0.059954
      0.64174      0.10324      1.77386         0.056766      0.176979      0.204041
      0.62359      1.54779      2.08192         0.299374     -0.299893      0.464017
      1.59732      0.38587      3.87302        -0.316551      0.149770     -0.635303
      1.41197      2.95535      4.04756        -0.024903     -0.197064      0.044106
      1.96809      2.95985      5.31523         0.238879     -0.240522      0.289527
      2.10719      4.12912      6.05163        -0.019830     -0.168594     -0.316311
      0.99129      4.21285      3.59263        -0.037227      0.036440      0.111575
      1.15005      5.39122      4.36046        -0.141098      0.088930     -0.030068
      1.78998      5.45328      5.64642        -0.028280     -0.003068      0.031761
      2.13511      6.71179      6.50252        -0.196229     -0.023466     -0.303361
      2.60753      6.66185      7.84150         0.030768      0.108392      0.060714
      3.10263      7.75010      8.57954         0.065570      0.165308     -0.041093
      2.08817      8.07336      6.07387         0.007308      0.163059     -0.207627
      2.56201      9.18191      6.79440        -0.065372      0.015729      0.044355
      3.09390      9.05503      8.08871        -0.043721     -0.023593      0.008750
      2.85289      5.38972      8.55593         0.394067     -0.083236      0.181997
      0.47287      6.57292      3.71945        -0.039323     -0.179885      0.181728
      4.69977     14.09087      0.68034        -0.061785      0.312009      0.135583
      4.04765     14.99722     -0.14770         0.080754      0.036388      0.030282
      4.04065     16.38525      0.17298        -0.010552     -0.048449     -0.070215
      5.39749     14.54472      1.79774        -0.140560     -0.200862      0.041290
      5.40653     15.90531      2.09294        -0.009413      0.272088      0.145962
      4.71398     16.89281      1.33320         0.029047     -0.001101      0.065375
      4.53684     12.70605      0.17422         0.002674     -0.200127      0.169616
      3.47074     14.15437     19.97053         0.026492     -0.024966      0.361254
      4.76012     18.37339      1.81673         0.021979     -0.350680     -0.142060
      4.11395     19.47388      1.18598         0.034533      0.039451     -0.097198
      4.27628     20.78911      1.67211         0.021092      0.133711     -0.006918
      5.53346     18.70605      2.96607        -0.111238     -0.354044     -0.124541
      5.70316     20.00011      3.44398        -0.124198      0.275295      0.069260
      5.06424     21.04356      2.78451         0.015688     -0.054241      0.019915
      5.11684      1.24606      3.06250        -0.403491     -0.174178     -0.596947
      3.78068      0.87943      1.18959         0.223099     -0.038325      0.167377
      3.98532      3.33924      2.05668        -0.154277     -0.099206     -0.042382
      3.07719      3.92654      1.16064        -0.108506     -0.358031     -0.183585
      2.76192      5.30186      1.15948         0.184724     -0.331514     -0.161949
      4.45454      4.26213      3.00157        -0.013486      0.202107     -0.238998
      4.19846      5.65244      2.91412        -0.199887      0.148645     -0.459213
      3.39161      6.32407      1.94229         0.112953      0.378580     -0.113877
      3.16106      7.97398      1.84913         0.006063      0.087026      0.057866
      2.20196      8.58161      0.97822        -0.300365     -0.203361     -0.169454
      1.85917      9.94798      0.92833        -0.061564     -0.154456      0.282315
      3.72249      9.04140      2.66909         0.410687     -0.542586     -0.186871
      3.29575     10.38141      2.72304         0.243583      0.541046      0.130043
      2.33649     10.90030      1.83796        -0.161681      0.273335     -0.112025
      1.39397      7.73970      0.02594        -0.408050      0.113278      0.368470
      4.87143      6.43477      3.96656        -0.200233      0.176255     -0.081844
     18.16717     17.32262     13.52125         0.018048      0.090842      0.122587
     19.20778     17.80454     14.30514        -0.123192      0.041646      0.156440
     19.46979     19.17651     14.40973        -0.102507      0.010506      0.137895
     17.38263     18.20905     12.78998         0.065620     -0.164872     -0.014794
     17.62730     19.57845     12.91552         0.004463      0.237550      0.068818
     18.65530     20.12506     13.73700        -0.197560     -0.059265      0.065122
     18.11672     15.83915     13.62873         0.387909      0.424979      0.259193
     19.87916     16.62263     14.93673         0.463856      0.005501      0.291092
     18.78022      0.36574     13.95604        -0.220592      0.011340      0.095264
     19.77338      0.95942     14.78074        -0.037152     -0.179101      0.115710
     19.72032      2.31967     15.10668         0.005527     -0.011300      0.061737
     17.79663      1.25448     13.44389         0.025394     -0.203819     -0.035853
     17.78655      2.62559     13.70667         0.098270      0.133377      0.051176
     18.76165      3.15594     14.55067        -0.137294     -0.089397      0.055799
     18.96863      4.54177     15.05570         0.434081     -0.334375      0.318190
     20.51159      3.13325     16.09309         0.276766      0.105920      0.397077
     20.64488      5.65336     16.64906         0.102509     -0.110063     -0.077555
      0.69318      5.61440     17.13807         0.333362      0.182311      0.036802
      1.37235      6.79238     17.50498        -1.003579     -0.085426      0.024195
     20.04586      6.91895     16.72096        -0.568707      0.087875     -0.101442
     20.63851      8.04311     17.34937         0.266077     -0.225883     -0.039934
      0.77520      8.05876     17.73897         0.470986     -0.157091      0.329887
      1.66728      9.19863     18.38473         0.113909      0.116683      0.222891
      3.00274      9.10887     18.97801        -0.286853     -0.195486     -0.274650
      3.67038     10.23006     19.58720        -0.557396     -0.270897     -0.407893
      1.15708     10.50019     18.58618        -0.059548      0.439033      0.053243
      1.85767     11.61994     19.08984        -0.658377     -0.076397     -0.109545
      3.13791     11.53063     19.62059        -0.239341      0.489672      0.142289
      4.00703      7.92672     18.86575        -0.000295      0.854696      0.206996
     19.63661      9.15599     17.55433         0.261837      0.172768      0.187476
      2.01610     18.17268     14.11304        -0.028288      0.002975     -0.196728
      1.28302     19.11274     13.40066        -0.212605      0.058430      0.087045
      1.35363     20.46517     13.72811         0.266889      0.208574      0.090542
      2.96259     18.57569     15.05410        -0.277193      0.013293      0.040918
      3.12644     19.94321     15.29293        -0.111719      0.245240      0.091926
      2.26521     20.93016     14.70987         0.294952     -0.174475      0.098182
      1.70176     16.82125     13.59376        -0.433489      0.765984     -0.039906
      0.46709     18.39999     12.36152         0.200512     -0.252464      0.387909
      2.42568      1.13875     15.01439         0.036877      0.079027      0.032085
      1.76897      2.15077     14.26973        -0.205129     -0.059447     -0.083868
      2.05283      3.49920     14.49206        -0.200847      0.073074     -0.070931
      3.32275      1.58556     16.01244        -0.171190     -0.130265      0.061518
      3.65786      2.93442     16.18626        -0.345489      0.252006      0.117563
      3.03899      3.88951     15.38537        -0.092120     -0.158717      0.308977
      3.19142      5.36640     15.31688        -0.625482     -0.376246     -0.268404
      1.42298      4.74021     13.95860        -1.556575      0.193140     -1.276027
      1.66309      7.25358     14.50701        -0.240787      0.245892     -0.060805
      0.37566      7.54419     14.04924        -0.264681      0.028606     -0.114564
     21.07246      8.81993     14.13381        -0.057671      0.086842      0.051920
      2.34227      8.37568     15.05408        -0.127792     -0.096003     -0.162682
      1.79121      9.69210     15.08992        -0.205680     -0.274109     -0.226030
      0.43734      9.98959     14.62254        -0.126711      0.171853     -0.071866
     20.89609     11.35062     14.59836         0.096908     -0.195058      0.060912
     19.53848     11.64394     14.14290        -0.077616      0.241520      0.022664
     19.03015     12.96395     14.09385        -0.055740     -0.022100      0.135862
      0.29037     12.54219     14.97329        -0.035321     -0.001837     -0.019062
     -0.25837     13.82362     15.04612         0.162498      0.085922      0.015959
     19.71104     14.08736     14.58595         0.223086      0.022051      0.026150
     18.48543     10.68402     13.58275         0.306862      0.395296      0.164761
      2.79333     10.69682     15.63237         0.061588     -0.069643     -0.201573
     16.09177      0.42039      5.21776         0.066351      0.023253      0.042500
     16.88344      0.86903      6.26380         0.046034     -0.046410      0.009605
     16.97329      2.23696      6.56239        -0.017656      0.016628      0.198856
     15.30554      1.30982      4.51199         0.086256     -0.105440     -0.127468
     15.36593      2.66312      4.82978         0.134987      0.234684      0.039942
     16.21982      3.19193      5.82453        -0.072449     -0.001511     -0.006919
     16.35242     20.24452      4.96103         0.203233      0.072664      0.122017
     17.57456     20.91352      6.82069         0.083037      0.085100      0.000591
     16.27344      4.69458      6.04108        -0.070610     -0.033318      0.065320
     17.10936      5.31923      6.99950        -0.159015     -0.074914      0.090123
     17.04990      6.70348      7.20585        -0.040638     -0.000846      0.221579
     15.42345      5.56782      5.30599         0.027594     -0.339498      0.033820
     15.40742      6.94700      5.48185         0.040079      0.108636      0.051610
     16.24095      7.51690      6.43189        -0.027029      0.056436      0.074790
     16.41102      8.93496      6.84687         0.396039     -0.310846      0.422385
     17.63804      7.56528      8.28512        -0.420326      0.340811     -0.490803
     17.76272     10.12314      8.66194         0.045756     -0.094792      0.033098
     18.80691     10.01718      9.57309         0.224856     -0.186802      0.087408
     19.41699     11.14118     10.13071        -0.142611     -0.117984      0.016034
     17.33295     11.44347      8.42414        -0.012183     -0.036186      0.143724
     17.84327     12.56197      9.13219         0.015484     -0.104222     -0.106330
     18.97008     12.47179     10.04247         0.072038      0.173601      0.126746
     19.74439     13.58490     10.82000        -0.054604     -0.175464     -0.000400
     21.01446     13.45829     11.53748        -0.321840      0.277665     -0.168448
      0.40797     14.58690     12.06613        -0.004598     -0.062756      0.004408
     19.26431     14.92008     10.87314         0.088983      0.219884      0.061326
     19.97731     16.04671     11.33525        -0.206729      0.032485      0.006989
     21.21654     15.90246     11.95909        -0.073932      0.065387      0.056485
      0.68324     12.25884     11.69787         0.132023      0.181819      0.011861
     17.07915     13.82565      8.78802         0.432837     -0.188040      0.045033
     20.40316      1.31614      6.10823        -0.241898     -0.093296     -0.199662
     19.83412      2.36338      5.38757        -0.078994      0.075327     -0.031144
     19.85298      3.66919      5.84599        -0.035659     -0.065641      0.151814
     20.90807      1.54900      7.37946        -0.018550      0.017207      0.003466
     20.90285      2.86016      7.86003        -0.078177      0.294204      0.148424
     20.41587      3.96826      7.11089        -0.181290     -0.180582     -0.041110
     20.21182      0.06139      5.32136        -0.259144      0.428706     -0.048114
     19.12730      1.80231      4.19333         0.434104     -0.354193      0.443684
     20.49566      5.38733      7.58127        -0.186688      0.128984     -0.104722
     20.11697      6.43776      6.72148        -0.200838     -0.128451      0.085361
     20.38573      7.76100      7.05048        -0.202125      0.154678     -0.093442
     -0.25437      5.76594      8.83652        -0.106605     -0.140960      0.191465
      0.11101      7.08019      9.13414        -0.095501      0.135822      0.286601
     21.07396      8.07226      8.20557         0.025765      0.280034      0.289059
      0.10026      9.53361      8.22111        -1.337770     -1.046980     -1.300197
     20.06009      9.03576      6.33927        -0.072470      0.240169      0.184219
     20.44602     11.51467      6.86965        -0.137528     -0.079869     -0.070164
     19.55761     11.91855      5.87420        -0.220781     -0.009456     -0.246975
     19.21881     13.25547      5.66209         0.023746     -0.037827      0.013938
     20.99315     12.57052      7.62306         0.072495     -0.094422     -0.154205
     20.72213     13.92747      7.34276        -0.161671     -0.005254     -0.303096
     19.76009     14.37234      6.35101        -0.159129      0.099200     -0.300944
     19.23296     15.81902      6.05140         0.179199     -0.158472      0.008410
     18.37652     16.24586      4.96745         0.119523      0.263389      0.006078
     17.85908     17.56461      4.87949         0.088741      0.083747      0.060139
     19.50530     16.90850      6.92263        -0.012771      0.045993     -0.005658
     18.91055     18.17144      6.89933         0.133015      0.023701      0.169356
     18.01780     18.53204      5.88908         0.066797     -0.028782      0.107933
     17.80390     15.35155      3.88195         0.293983      0.140410      0.062406
      0.34242     14.85878      8.12547        -0.106750     -0.016199     -0.153433
     12.58750      5.25027      4.06208         0.000446     -0.002366      0.218139
     13.01264      3.73926     20.59050         0.202396      0.065861     -0.090252
     12.93515      6.12809     21.10174        -0.009546      0.006271      0.012456
     12.66599      7.46516      4.40410         0.067658     -0.142255      0.224478
     13.19600      7.91441      0.12598         0.003869      0.012728      0.093692
     13.52126     10.31960      0.40828         0.074961      0.009670     -0.126938
     13.13660     13.52995      8.53054         0.094953     -0.048030      0.233254
     13.13949     11.67118      7.07222         0.114171      0.169458      0.160076
     14.28025     14.19445      3.82628        -0.004499     -0.072961      0.076634
     12.94861     17.16747     11.43402         0.022015     -0.091394     -0.026895
     14.83493     17.66685      6.98041         0.147294     -0.143584      0.088381
     14.77356     19.54276      8.40355         0.103556     -0.252130      0.071603
     10.06990      6.86770      3.29120        -0.176001      0.124050     -0.277328
      9.59242      3.49076      6.88614         0.172504      0.008883      0.064080
      9.67044      5.86256      7.48995         0.198641      0.038017     -0.040908
     10.27161      8.79386      3.80804        -0.088903      0.062764     -0.179730
      9.73665      7.71597      7.96686         0.082413     -0.006880     -0.012905
      9.91788     10.07602      8.61832        -0.054644      0.002165      0.046622
     12.24686     15.81318      2.49886        -0.180707     -0.023212      0.048897
     11.47190     13.63415      2.99878        -0.021168      0.141422     -0.030735
     10.48504     14.91378      6.94357        -0.151084      0.101593     -0.113343
     13.08749     20.23992      1.09153         0.123310      0.050101      0.154201
     11.61601     19.19907      5.61903         0.064606      0.097938     -0.153044
     11.98641      0.18903      5.04024         0.050576     -0.089601      0.085250
     10.04447      9.21525     17.29477         0.102501     -0.011801      0.381197
     10.25057      7.75868     12.55300         0.199553     -0.011042     -0.000949
     10.23605     10.12782     13.08575         0.059392     -0.035931      0.038108
     10.09245     11.39613     17.68621         0.162832     -0.083358      0.271097
     10.52514     12.00251     13.41234         0.030728     -0.031537      0.132629
     10.75907     14.40729     13.76964         0.077947     -0.004791     -0.107593
      9.49923     17.73423      0.40779         0.006803     -0.014935      0.013086
      9.97184     15.80666     20.38595        -0.115975      0.196853      0.049235
     11.24287     18.29993     17.15984         0.244324     -0.011357      0.134489
      9.22271      0.05743      3.38795        -0.230157     -0.037151     -0.041882
     11.18335      0.71083     20.30936        -0.218188     -0.180898      0.034211
     10.41926      2.62201      0.23453         0.097274     -0.287838     -0.100867
      7.39968     10.67587     15.99593        -0.265950      0.132577     -0.266015
      7.08572      7.28329     19.62308         0.165243     -0.049464      0.098623
      7.12888      9.64924     20.20178         0.195205      0.055213     -0.106773
      7.58057     12.74372     16.55783        -0.134082      0.021137     -0.224985
      6.97580     11.45935     20.64608         0.174137     -0.022338     -0.003051
      7.06550     13.75423      0.13879         0.112470      0.022567      0.016686
      9.36069     19.94785     15.93105        -0.167311     -0.168231      0.064899
      8.66204     17.69214     16.21297        -0.004113      0.170486      0.023830
      6.95133     18.80072     19.96129        -0.333643      0.119430     -0.287493
      9.82698      2.85998     14.30299         0.386990      0.168080     -0.121511
      8.33065      1.99785     18.86613         0.028228      0.053454     -0.391824
      9.02929      4.20845     18.28408         0.040467     -0.353703     -0.092697
      6.81260     13.00057      8.76324        -0.045320      0.034633      0.224545
      7.50835     11.38254      4.09163        -0.108932      0.056799     -0.039666
      7.73020     13.76184      4.60353        -0.139762      0.050694     -0.021444
      6.87363     15.18544      9.08261        -0.015954     -0.126588      0.283180
      7.96032     15.54888      4.91666        -0.218642      0.038877     -0.024736
      7.97199     17.95036      5.10067        -0.112583      0.125760     -0.067126
      6.36576      0.29781     12.87816         0.313014      0.055799      0.040889
      6.84002     19.59375     11.63509        -0.078708      0.286039      0.197358
      8.27210      0.76671      8.47565         0.326474     -0.030151     -0.109898
      6.38038      3.90376     15.94961        -0.016714     -0.180477     -0.043247
      8.44651      4.53206     11.61197        -0.150186     -0.289172      0.141285
      7.90394      6.41882     12.91920         0.166927     -0.202693     -0.159270
      3.58284     14.38624      9.04298         0.031048      0.123485     -0.272841
      4.58047     11.30864     12.82437         0.129905     -0.048894      0.096054
      4.68631     13.73258     13.17977         0.035173      0.036165     -0.011560
      3.88539     16.39081      9.28719        -0.074713      0.078831     -0.180516
      4.81037     15.61395     13.42919         0.213224      0.051831     -0.008481
      5.15835     18.00338     13.81725        -0.139827      0.071633     -0.018869
      5.46333      2.33097      7.44067         0.010761      0.035392      0.320844
      4.83394      0.17642      8.09251        -0.036879      0.294600     -0.066953
      4.10299      1.59768     12.03795        -0.292653     -0.062563     -0.054854
      7.00550      6.60991      5.96706         0.177632     -0.218934      0.145733
      5.49197      5.89484     10.52538         0.208443      0.002185     -0.067973
      6.06714      8.05254      9.86210        -0.079529     -0.069630      0.104232
      2.08718     16.45713      3.26659         0.040443     -0.031207      0.247352
      0.33561     14.86242     20.12909        -0.230730     -0.050912     -0.014946
      0.43020     17.24282     20.61258        -0.103902     -0.171125      0.053841
      1.79552     18.74883      3.62417        -0.015953     -0.114870      0.239806
      0.27113     18.90684     20.82574        -0.097538     -0.042744     -0.046596
      0.00613      0.05312     20.98394        -0.135685      0.022038     -0.122643
      2.48292      3.86816      7.00781         0.083963      0.141120      0.010321
      2.29642      2.00787      5.75037        -0.095234      0.419443      0.055835
      0.51676      4.29229      2.62476        -0.127312     -0.050452      0.012033
      3.52311      7.58025      9.56280        -0.254943      0.032032     -0.003055
      1.67689      8.36700      5.11206         0.124215     -0.290180      0.109782
      2.47031     10.18701      6.38605        -0.046671     -0.132876     -0.271186
      3.47601     17.07149     20.80474         0.023839      0.049811     -0.207428
      5.90497     13.82829      2.44846         0.020301      0.068136      0.000523
      5.98434     16.19609      2.97373        -0.143618      0.007632     -0.088805
      3.48199     19.30932      0.32133        -0.074403      0.011701     -0.293771
      6.09345     17.93455      3.49109        -0.136688     -0.034972      0.004632
      6.35273     20.20582      4.29182         0.029538     -0.033743      0.162209
      1.90991      5.45025      0.52460         0.142913      0.302142     -0.162803
      2.51699      3.25216      0.49931         0.090864      0.458128     -0.003247
      4.98029      3.91267      3.86731         0.416911     -0.123900      0.143655
      1.18400     10.25998      0.15244        -0.387279      0.020599     -0.108358
      4.55917      8.88776      3.35105        -0.188724     -0.154677     -0.406593
      3.77833     11.07398      3.43813        -0.092980     -0.482453     -0.273312
     20.30586     19.50307     15.01437         0.126180      0.063950      0.298452
     16.62016     17.82848     12.10879        -0.154335      0.088102      0.065282
     16.95685     20.23475     12.36120         0.106948      0.094017     -0.058549
     20.58322      0.35313     15.16910         0.107337     -0.128062      0.314841
     16.98273      0.86575     12.83314         0.008399     -0.021702     -0.036118
     17.00728      3.25769     13.28544        -0.052674      0.084901     -0.047799
      2.43116      6.67311     17.56573         0.122844      0.017563      0.240410
      1.22480      4.66460     17.15935         0.125371      0.080802     -0.030917
     19.07316      7.07818     16.24012         0.200697     -0.213429      0.403597
      4.60282     10.03779     20.07234         0.526582     -0.036992      0.148465
      0.12249     10.71684     18.34543         0.188155      0.008673     -0.126639
      1.34814     12.58625     19.09480        -0.064176     -0.242738     -0.077856
      0.75964     21.19011     13.19173        -0.309613      0.100450     -0.285954
      3.58301     17.83118     15.55794        -0.003165      0.085531      0.013609
      4.01129     20.23123     15.88148        -0.496831      0.070383      0.039917
      1.02716      1.87345     13.52742        -0.107340      0.116932     -0.203816
      3.89075      0.84671     16.58476        -0.277429      0.162594      0.126855
      4.41988      3.22439     16.90429        -0.127235      0.046284      0.158550
     20.04164      8.86391     13.80686         0.093650     -0.002496      0.014240
     21.01917      6.73325     13.67049        -0.081428      0.081016     -0.130291
      3.29763      8.21456     15.55030         0.016590      0.075246     -0.310749
     18.08583     13.12393     13.58427        -0.052439     -0.009202      0.280701
      1.35284     12.52710     15.13719        -0.063267      0.026653      0.154317
      0.38210     14.64079     15.35923         0.099578     -0.022865      0.097867
     17.66449      2.56704      7.32859         0.076932      0.008170      0.317644
     14.68151      0.94006      3.70669         0.092084      0.029743     -0.047318
     14.73407      3.33927      4.26048         0.152718      0.000792     -0.014609
     17.81249      4.72901      7.57077         0.054240     -0.152267      0.354945
     14.72376      5.16345      4.57728         0.084889     -0.042810     -0.009606
     14.71483      7.56970      4.93053         0.029090      0.049756     -0.191394
     20.32085     10.90798     10.65733        -0.090159      0.029683      0.180753
     19.18664      9.02082      9.80225         0.106642      0.211018      0.142635
     16.60323     11.61929      7.64305        -0.174083     -0.009858      0.140807
      1.32305     14.43842     12.61149         0.193144     -0.067636     -0.007395
     18.27188     15.16896     10.51049         0.115516     -0.207785     -0.050409
     19.58716     17.05239     11.16713        -0.214376     -0.197034      0.044361
     19.38570      4.42377      5.22849        -0.095918      0.230788     -0.154256
     21.25266      0.72207      7.99626         0.160088     -0.026470      0.068463
      0.05717      3.02926      8.85181        -0.065329      0.003053      0.080636
     19.66706      6.21512      5.76893        -0.285680     -0.016133     -0.010489
     -0.05188      4.99441      9.56955        -0.104615      0.042572      0.230856
      0.64222      7.30782     10.06452        -0.229225      0.019507     -0.043949
     18.44898     13.35866      4.91143         0.128467      0.154325      0.149503
     19.07602     11.14008      5.28648        -0.066580      0.265400     -0.153886
      0.37924     12.34498      8.46302         0.166628     -0.001033     -0.191476
     17.18772     17.79827      4.06094         0.140930     -0.024791     -0.068636
     20.20101     16.80023      7.73364        -0.050007     -0.072663     -0.044870
     19.15602     18.89675      7.67680         0.059368     -0.220186     -0.013949
     13.93799     19.30921     10.78005        -0.109283     -0.158912     -0.118308
     18.93223     21.00227      3.61663         0.254960      0.088616     -0.047832
     12.74817      1.19641      2.65932         0.033785      0.217655     -0.124390
     13.64242     11.59632      4.45273        -0.008245     -0.378286     -0.081473
      9.55041      2.62557      2.80910         0.065344      0.247187      0.075748
     10.49041     12.72284      5.34023        -0.001915     -0.019451      0.159985
      9.93888      5.13893     15.90021         0.068028      0.333915     -0.148791
     10.70262     15.64962     17.80950         0.127739      0.247511      0.031464
      6.92022      6.43524     15.49286         0.187509      0.250736     -0.115427
      7.37196     16.62715     18.29702        -0.042211     -0.202375      0.184366
      6.69349      8.93965      7.42959         0.007571      0.195249     -0.205681
      7.57819     19.40226      9.07682        -0.150786     -0.140073     -0.028996
      3.49599     10.15912      8.90135         0.033144      0.387841     -0.163284
      4.18710     20.51943     10.53782         0.025944     -0.330387      0.261083
      1.93254     12.31564      1.74063         0.155798     -0.106815      0.544345
      1.22369      1.70995      3.37299        -0.036704     -0.252541     -0.236969
      3.72028     12.73001     20.28609        -0.133909      0.109309     -0.300669
      4.25927      1.90267      2.11122         0.022222     -0.012564     -0.106579
     19.22433     15.43799     14.45380        -0.093092      0.086620      0.010454
     20.04179      4.49603     16.01151        -0.064877     -0.149947     -0.128250
      0.69864     16.98475     12.56236        -0.027917     -0.029562      0.022732
      2.11345      5.87703     14.50752         0.245201     -0.031707      0.250137
     17.33621     19.80904      5.90632         0.022541      0.129258     -0.119809
     17.28122      8.94312      7.98449        -0.124906     -0.126328     -0.156237
     19.41460      0.42105      4.20837         0.070139      0.425073      0.262181
     20.67867     10.11060      7.08594        -0.022543     -0.048196      0.171591
     12.38940      2.28339      4.73946        -0.047145      0.004494     -0.196641
     13.46102      1.02232      0.41246         0.274075     -0.404579     -0.455834
     13.26375      9.86072      6.03590        -0.150534     -0.158725      0.273999
     13.80321     12.58032      2.30923         0.272045      1.176688     -0.721421
      9.72661      4.49401      1.34464        -0.067742     -0.087979      0.005258
      9.30458      1.49992      4.88449        -0.130984     -0.977912      0.369954
     10.45209     11.68546      3.20342        -0.092225      0.023115      0.759786
     10.19278     12.88504      7.68075        -0.081557      0.628564      0.691265
      9.83049      6.27250     17.98863         0.011245     -0.112086      0.169677
     10.68871      4.91143     13.65423        -0.513281      1.026340      1.380518
     10.41964     13.89925     19.39868         0.067844     -0.024201      0.331340
     10.96426     16.63404     15.67575         0.173370      0.776352     -0.377041
      7.03952      8.33290     14.06381        -0.074082     -0.239151      0.144038
      6.56717      5.30579     17.54818        -0.128074     -0.798764      0.254427
      7.65033     15.71845     16.12287        -0.211327     -0.045885      0.366756
      7.07929     16.63829     20.63327        -0.051547      0.235194      0.264164
      6.60297     10.09820      9.50300         0.089072     -0.034236      0.439429
      7.10919      8.68739      5.13297         0.074702     -0.510948     -0.669768
      7.18730     17.70704     10.67844         0.022617     -0.363540      1.060913
      7.93539     20.32050      6.93729         0.000199      0.731976     -0.492520
      3.10199     11.96487      7.41433        -0.106401      0.130613     -0.557147
      3.92309      9.10593     10.98051        -0.012033     -0.532033      0.286125
      4.15237     19.36881      8.45276        -0.211472     -0.116977      0.966321
      4.34039     20.73488     12.87794         0.027792     -0.042700     -0.140778
      2.96302     13.38674      3.60100         0.946982     -0.343613      1.397821
      0.31062     12.19074      0.02018        -0.009937     -0.128128      0.046839
      2.17531      0.14616      4.90612         0.473157     -0.084975      0.662875
      0.20523      2.44211      1.38192        -0.359254      0.645737     -0.452832
      2.92568     14.55590     18.96832        -0.259863      0.022855     -0.484758
      5.03823     11.70713      0.66924         0.120181     -0.437337      0.172383
      3.11663      1.10540      0.20144        -0.333937      0.113989     -0.516751
      5.78316      1.79446      3.90590         0.552241      0.479396      0.691953
     -0.42658     16.64993     15.71206        -0.373135     -0.014240     -0.168963
     17.30396     15.10423     13.11779        -0.644926     -0.561154     -0.224659
      0.10423      2.73267     16.87591        -0.234579      0.032700     -0.127798
     18.37213      5.54201     14.73074        -0.532677      0.743414     -0.283157
     21.01478     18.89176     11.50578        -0.151031     -0.020485     -0.241703
      2.19890     15.78320     13.97290         0.123516     -0.788737      0.159439
      0.43271      4.79420     13.19890         1.320089     -0.105890      0.933639
      4.05078      6.04075     15.83407         0.555718      0.623221      0.339334
     18.19811     20.84687      7.86270         0.226012     -0.057285      0.264387
     15.86867     19.56875      4.07438        -0.161841     -0.376422     -0.437439
     18.21631      7.18922      9.27529         0.395512     -0.308069      0.865085
     15.93651      9.92355      6.33641        -0.162328      0.678422     -0.474467
     18.41091      2.37095      3.39978        -0.428239      0.361751     -0.615669
     20.64236     20.20570      5.52712         0.191379     -0.690888      0.205349
     19.35369      9.17725      5.35394        -0.062282     -0.136559     -0.005560
      0.75464     10.13006      9.02112         0.832572      1.038373      1.282669
     13.90920     17.51782      5.29587         0.009642      0.050416     -0.077829
     15.82273     16.54838      5.59585         0.224509      0.138428      0.089350
     14.69466     16.25024      3.73730         0.064788      0.071710     -0.282822
     11.98273     15.38349     11.43731        -0.157082     -0.239174      0.041362
     11.42211     14.60225      9.48897         0.020331     -0.105007     -0.007361
     13.27832     13.92033     10.48909        -0.030396     -0.192427      0.085150
     11.90597     18.02415      7.25321         0.200543      0.024794      0.127605
      9.96009     18.43481      6.42301        -0.044661      0.204471     -0.007767
     10.22648     16.77446      7.81972         0.058394      0.139646     -0.003368
     13.12999     18.49917      0.08447         0.162399     -0.169268     -0.032805
     14.04785     17.04095      1.41260         0.141590     -0.086713      0.020537
     11.93083     16.89111      0.89907        -0.066521     -0.435246     -0.168606
     10.54919      0.32296     18.52406         0.167664      0.197475     -0.321287
     12.59830     -0.30722     18.91649         0.360235     -0.005523      0.091133
     11.61439     20.40561     17.04999         0.259295     -0.035968     -0.252232
      8.83140     19.36949      3.59645        -0.143967     -0.211680     -0.167042
      7.86387     18.73178      1.72860        -0.077166     -0.034775     -0.270976
      9.79550     17.94323      2.30840         0.049841     -0.028890     -0.117700
      7.87714      0.75380     20.36339        -0.098147      0.187213      0.254665
      6.05960      1.04570     19.16464        -0.099229      0.161837     -0.124954
      6.16510     20.70779     20.64561        -0.030868      0.010222     -0.050416
      9.61381      1.10272     13.26254         0.182945      0.050262      0.344322
     10.84126     21.21441     14.63607         0.046146      0.034034      0.201802
      8.79959     20.57149     14.16733         0.478263      0.696732      0.072714
      8.08219      4.04768      9.78954         0.276497      0.125509     -0.272713
      9.97359      3.15959     10.42564         0.258328     -0.007226      0.154137
      9.11147      2.66369      8.48812         0.446456     -0.112660     -0.192938
      6.03073      1.90636     16.14127         0.217941     -0.187055     -0.610133
      5.02625      1.47323     14.19035         0.170142      0.029837      0.278578
      6.77655      0.43976     14.78892         0.589562     -0.033990     -0.079510
      5.37082      4.98892     12.03712        -0.110580      0.214374      0.065474
      3.22911      4.69555     11.84311        -0.121974     -0.373998     -0.068483
      4.40535      3.34316     12.97807        -0.015796     -0.286254      0.464231
      7.16714      4.51532      5.20224        -0.055719     -0.224732      0.000763
      7.24701      2.92243      6.67605         0.291675     -0.016567      0.065014
      5.32266      3.61121      5.97482        -0.268522     -0.356009     -0.137272
     -0.43258      7.22331      4.49128        -0.041632      0.162075     -0.001632
      1.35550      7.55615      3.38488        -0.275868     -0.075793     -0.463843
     -0.24111      6.19772      2.64369        -0.322081      0.047703     -0.164735
      3.29794      5.58841      9.81574        -0.098207      0.094019     -0.452339
      1.86530      4.45676      8.73006         0.004436     -0.018395      0.020806
      3.82189      4.76131      7.82867        -0.006269     -0.054586      0.257532
      6.02180      6.98548      3.47441         0.085604      0.279918      0.019010
      4.09257      7.41008      4.52181         0.123595      0.152119      0.026617
      5.17595      5.68976      5.02077        -0.041417     -0.081822      0.409468
      0.55897      8.42326     20.45953        -0.103979      0.080720      0.405485
      2.22226      6.98885     -0.73400        -0.100324     -0.063228     -0.714493
      0.56007      6.85965      0.65100        -0.177118      0.207981     -0.156364
     19.45939      9.42107     18.88947        -0.065028     -0.033316      0.015425
     20.01608     10.33715     16.97583        -0.126151      0.245054     -0.035754
     18.41228      8.89443     17.03634        -0.238760     -0.095523      0.209492
      4.86960      7.99146     19.93745        -0.202305     -0.176055     -0.059733
      3.74374      6.60219     18.77259        -0.117880     -0.071710      0.363366
      4.66774      8.19408     17.69809         0.129514      0.022213     -0.072559
      3.36735     11.44655     14.62659        -0.078594      0.058728     -0.134360
      2.28974     11.59447     16.50949         0.102863      0.239830      0.101100
      3.84039     10.12445     16.28157         0.187997     -0.051950     -0.153504
     17.38760     11.32771     13.08811        -0.247945     -0.116848      0.049351
     18.94845      9.95735     12.53454         0.056343     -0.551465     -0.265481
     18.02307      9.81487     14.51742        -0.057884     -0.280867      0.193064
     16.30586     14.24112      9.83382        -0.153974      0.116897      0.185065
     17.89040     14.87485      8.45368        -0.093004      0.159608     -0.031246
     16.25193     13.65972      7.72603        -0.030695      0.127225     -0.059140
      1.68567     12.49601     12.60682        -0.089922     -0.128232     -0.254660
      0.18558     11.05684     12.08829        -0.171896     -0.112001     -0.061590
      1.29264     12.02309     10.51337         0.167522      0.054999     -0.285455
      1.09535     15.64545      7.30346         0.159308      0.264396     -0.199235
     20.91239     15.69298      8.95820         0.306895      0.172026      0.080899
      1.21080     14.22049      8.94568         0.342870     -0.073062     -0.006315
     17.11377     16.03427      2.93688         0.139665     -0.022924     -0.265860
     18.75750     14.64872      3.19770         0.127146     -0.116608     -0.077048
     16.91173     14.43456      4.40726         0.087798     -0.020022     -0.322980
 -----------------------------------------------------------------------------------
    total drift:                               -0.022633      0.010365      0.006611


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4560.6590722730 eV

  energy  without entropy=    -4560.8083658857  energy(sigma->0) =    -4560.70883681
 
 d Force = 0.1474369E+01[ 0.348E+00, 0.260E+01]  d Energy = 0.1483435E+01-0.907E-02
 d Force = 0.1150463E+04[ 0.114E+04, 0.116E+04]  d Ewald  = 0.1150481E+04-0.185E-01


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -1.483435  1 .order   -1.474369   -2.600603   -0.348135
  (g-gl).g = 0.742E+01      g.g   = 0.736E+01  gl.gl    = 0.875E+01
 g(Force)  = 0.736E+01   g(Stress)= 0.000E+00 ortho     = 0.513E-02
 gamma     =   0.84799
 trial     =   0.35308
 opt step  =   0.40617  (harmonic =   0.40765) maximal distance =0.05236238
 next E    = -4560.685279   (d E  =  -1.50964)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   39(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.1871054E-01  (-0.2064695E+01)
 number of electron    2498.0000015 magnetization 
 augmentation part      163.0482372 magnetization 

  free energy =  -0.456064035644E+04  energy without entropy=  -0.456078987631E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   39(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3520
 total energy-change (2. order) :-0.4569085E-01  (-0.5532420E-01)
 number of electron    2498.0000015 magnetization 
 augmentation part      163.0565948 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8619
  0.8619

  free energy =  -0.456068604728E+04  energy without entropy=  -0.456083537277E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   39(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3672
 total energy-change (2. order) : 0.1374113E-02  (-0.1095340E-02)
 number of electron    2498.0000015 magnetization 
 augmentation part      163.0519587 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3742
  1.1563  1.5921

  free energy =  -0.456068467317E+04  energy without entropy=  -0.456083410172E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   39(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) :-0.5043437E-03  (-0.8759170E-03)
 number of electron    2498.0000015 magnetization 
 augmentation part      163.0518990 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2758
  2.1622  0.9118  0.7535

  free energy =  -0.456068517751E+04  energy without entropy=  -0.456083446203E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   39(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) :-0.2113360E-03  (-0.1926083E-03)
 number of electron    2498.0000015 magnetization 
 augmentation part      163.0512041 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3011
  2.3588  0.8960  0.9748  0.9748

  free energy =  -0.456068538885E+04  energy without entropy=  -0.456083477726E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   39(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3608
 total energy-change (2. order) : 0.8648224E-04  (-0.1002586E-03)
 number of electron    2498.0000015 magnetization 
 augmentation part      163.0500923 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2475
  2.3988  1.0779  1.0779  0.8415  0.8415

  free energy =  -0.456068530237E+04  energy without entropy=  -0.456083460168E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   39(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3520
 total energy-change (2. order) :-0.9132404E-05  (-0.2497364E-04)
 number of electron    2498.0000015 magnetization 
 augmentation part      163.0503296 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2253
  2.4244  1.1769  1.1769  0.9503  0.9503  0.6729

  free energy =  -0.456068531150E+04  energy without entropy=  -0.456083470209E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   39(   8)  ---------------------------------------



 eigenvalue-minimisations  :  2416
 total energy-change (2. order) : 0.5005626E-05  (-0.2498805E-05)
 number of electron    2498.0000015 magnetization 
 augmentation part      163.0503296 magnetization 

  free energy =  -0.456068530649E+04  energy without entropy=  -0.456083465398E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.9889       2 -56.1527       3 -56.0471       4 -55.7738       5 -55.7912
       6 -56.3032       7 -58.1020       8 -58.2760       9 -56.2875      10 -55.9592
      11 -56.0168      12 -55.7916      13 -55.7491      14 -55.9284      15 -58.0646
      16 -58.0844      17 -56.2914      18 -54.9104      19 -54.8555      20 -55.1269
      21 -55.6117      22 -55.6539      23 -55.7290      24 -55.6336      25 -54.9810
      26 -54.8048      27 -54.9445      28 -54.9494      29 -60.4357      30 -60.3880
      31 -55.5820      32 -55.7999      33 -55.6880      34 -55.2193      35 -55.4725
      36 -55.9524      37 -57.8121      38 -58.0853      39 -56.0631      40 -55.7646
      41 -55.9145      42 -55.7004      43 -55.7323      44 -55.8601      45 -58.1024
      46 -58.1661      47 -56.4805      48 -55.1546      49 -55.0051      50 -55.3185
      51 -55.9075      52 -55.8804      53 -55.7673      54 -55.7254      55 -55.0996
      56 -54.8435      57 -54.9496      58 -56.3317      59 -60.4237      60 -60.6344
      61 -55.9653      62 -56.0345      63 -55.8951      64 -55.7342      65 -55.7334
      66 -56.2214      67 -57.9681      68 -58.1809      69 -56.2411      70 -55.8902
      71 -56.0185      72 -55.7315      73 -55.6520      74 -55.8780      75 -58.0615
      76 -58.2192      77 -56.4515      78 -55.0706      79 -54.9978      80 -55.2931
      81 -55.7898      82 -55.8462      83 -55.9109      84 -55.9242      85 -55.1263
      86 -55.0620      87 -55.1613      88 -56.4260      89 -60.7372      90 -60.4537
      91 -55.6351      92 -55.7622      93 -55.6557      94 -55.4080      95 -55.5003
      96 -55.9908      97 -57.8712      98 -58.0004      99 -56.0952     100 -55.8461
     101 -55.9868     102 -55.5752     103 -55.6379     104 -55.8806     105 -58.0845
     106 -58.2109     107 -56.4830     108 -55.1042     109 -54.9566     110 -55.3632
     111 -55.8718     112 -55.7980     113 -55.8209     114 -55.8720     115 -55.2024
     116 -54.9570     117 -55.0659     118 -56.4315     119 -60.4710     120 -60.5655
     121 -55.8745     122 -55.9655     123 -55.8251     124 -55.7257     125 -55.7399
     126 -56.1429     127 -58.0012     128 -58.1996     129 -56.0483     130 -55.7096
     131 -55.8282     132 -55.5850     133 -55.5256     134 -55.7529     135 -57.8621
     136 -58.0246     137 -56.3617     138 -55.0151     139 -54.9399     140 -55.1764
     141 -55.7398     142 -55.8609     143 -55.9490     144 -55.9167     145 -55.1793
     146 -55.1135     147 -55.1859     148 -56.4283     149 -60.6070     150 -60.5380
     151 -55.5332     152 -55.6169     153 -55.4748     154 -55.2913     155 -55.3968
     156 -55.8534     157 -57.8331     158 -57.8962     159 -55.9283     160 -55.6909
     161 -55.9194     162 -55.4832     163 -55.5773     164 -55.8007     165 -57.9937
     166 -58.1405     167 -56.4619     168 -55.0755     169 -54.9247     170 -55.3013
     171 -55.9350     172 -55.9577     173 -55.8432     174 -55.7245     175 -55.2559
     176 -54.7271     177 -54.9500     178 -56.3455     179 -60.4461     180 -60.5774
     181 -55.8602     182 -56.0498     183 -55.9089     184 -55.6333     185 -55.6373
     186 -56.1680     187 -57.9353     188 -58.2694     189 -56.1735     190 -55.7957
     191 -55.9497     192 -55.6916     193 -55.6389     194 -55.8504     195 -58.0108
     196 -58.2107     197 -56.4388     198 -54.9820     199 -54.9449     200 -55.2748
     201 -55.8311     202 -55.9405     203 -55.8998     204 -55.8430     205 -55.1666
     206 -55.1885     207 -55.1035     208 -56.4088     209 -60.7311     210 -60.5075
     211 -55.9013     212 -56.0759     213 -55.9181     214 -55.6989     215 -55.6857
     216 -56.2068     217 -58.0228     218 -58.2993     219 -56.1048     220 -55.7647
     221 -55.8720     222 -55.5681     223 -55.4470     224 -55.7491     225 -57.9273
     226 -58.1075     227 -56.4287     228 -55.0155     229 -54.9909     230 -55.1462
     231 -55.6604     232 -55.9573     233 -55.9936     234 -55.6381     235 -55.0943
     236 -55.1059     237 -55.1596     238 -56.4373     239 -60.3520     240 -60.3486
     241 -55.8851     242 -55.9660     243 -55.8274     244 -55.6949     245 -55.7307
     246 -56.1748     247 -58.0332     248 -58.1222     249 -56.1624     250 -55.8181
     251 -55.9550     252 -55.6946     253 -55.6870     254 -55.8700     255 -57.9576
     256 -58.0317     257 -56.3545     258 -55.0583     259 -54.9162     260 -55.1849
     261 -55.7572     262 -55.8276     263 -55.8671     264 -55.9534     265 -55.3760
     266 -54.9436     267 -55.1184     268 -56.4392     269 -60.6393     270 -60.3802
     271 -55.8256     272 -55.9153     273 -55.7252     274 -55.6720     275 -55.6711
     276 -56.0319     277 -58.1273     278 -58.1766     279 -55.8285     280 -55.5837
     281 -55.7127     282 -55.4085     283 -55.3669     284 -55.6553     285 -57.9884
     286 -57.9865     287 -56.4454     288 -54.9853     289 -54.9432     290 -55.3265
     291 -55.8300     292 -55.8274     293 -55.8009     294 -55.7250     295 -55.0743
     296 -54.8583     297 -54.9386     298 -56.3168     299 -60.4037     300 -60.5238
     301 -55.8180     302 -55.9635     303 -55.8237     304 -55.5509     305 -55.5933
     306 -56.0837     307 -58.0430     308 -58.2215     309 -56.1176     310 -55.7690
     311 -55.9231     312 -55.6479     313 -55.6000     314 -55.8287     315 -57.9416
     316 -58.0978     317 -56.3875     318 -54.9927     319 -54.9079     320 -55.1931
     321 -55.7647     322 -55.8064     323 -55.9282     324 -55.9088     325 -55.1581
     326 -55.1322     327 -55.2009     328 -56.4338     329 -60.6333     330 -60.3949
     331 -55.7515     332 -55.7642     333 -55.6387     334 -55.5840     335 -55.5633
     336 -56.0046     337 -57.9456     338 -57.9305     339 -55.8287     340 -55.5058
     341 -55.6962     342 -55.4512     343 -55.4822     344 -55.6670     345 -57.9669
     346 -57.9741     347 -56.3595     348 -54.8741     349 -54.9086     350 -55.2388
     351 -55.7375     352 -55.8230     353 -55.7866     354 -55.6958     355 -55.1777
     356 -54.8186     357 -54.9377     358 -56.3595     359 -60.4334     360 -60.5065
     361 -39.1338     362 -38.7911     363 -38.9393     364 -39.1323     365 -38.9292
     366 -38.7597     367 -38.1990     368 -37.9922     369 -38.1290     370 -38.1263
     371 -38.1585     372 -38.1648     373 -38.8308     374 -38.3380     375 -38.6774
     376 -38.8741     377 -38.8437     378 -38.7941     379 -38.2078     380 -38.1220
     381 -38.2606     382 -38.0684     383 -38.2093     384 -37.9663     385 -38.9091
     386 -38.7191     387 -38.8378     388 -38.9299     389 -38.8074     390 -38.5813
     391 -38.3125     392 -38.1199     393 -38.2285     394 -38.0828     395 -38.1997
     396 -38.2232     397 -38.7820     398 -38.3937     399 -38.6728     400 -38.8888
     401 -38.6704     402 -38.7661     403 -38.2372     404 -38.0872     405 -38.2913
     406 -38.2139     407 -38.0235     408 -37.9080     409 -38.8278     410 -38.7737
     411 -38.9589     412 -38.7815     413 -38.8504     414 -38.5956     415 -38.1589
     416 -38.1079     417 -38.1408     418 -38.1462     419 -38.1768     420 -38.2370
     421 -38.6195     422 -38.3003     423 -38.5338     424 -38.7135     425 -38.5827
     426 -38.6598     427 -38.1186     428 -37.9794     429 -38.3128     430 -38.2044
     431 -38.0773     432 -38.0152     433 -38.8515     434 -38.6746     435 -38.9215
     436 -38.7813     437 -38.9836     438 -38.6688     439 -38.5099     440 -37.9913
     441 -38.2414     442 -38.2035     443 -38.2378     444 -38.1046     445 -38.8697
     446 -38.7645     447 -38.8148     448 -38.8095     449 -38.7308     450 -38.3966
     451 -38.1329     452 -37.8421     453 -38.2312     454 -38.1518     455 -37.9834
     456 -37.9999     457 -38.9207     458 -38.6751     459 -38.8533     460 -38.9152
     461 -38.8529     462 -38.6894     463 -38.4041     464 -38.1788     465 -37.9990
     466 -38.5656     467 -38.0551     468 -38.1234     469 -38.9555     470 -38.7419
     471 -38.6423     472 -38.7441     473 -38.4666     474 -38.3476     475 -38.1465
     476 -37.9798     477 -38.2128     478 -38.0301     479 -38.1512     480 -37.9611
     481 -38.8714     482 -38.7293     483 -38.8355     484 -38.8973     485 -38.8779
     486 -38.7721     487 -38.2543     488 -38.1121     489 -38.1308     490 -38.2707
     491 -38.1960     492 -38.2826     493 -38.8677     494 -38.5667     495 -38.6637
     496 -38.7262     497 -38.5378     498 -38.4524     499 -38.1254     500 -37.8612
     501 -38.2337     502 -38.1230     503 -38.0990     504 -37.9084     505 -38.2372
     506 -41.1118     507 -71.6746     508 -71.4905     509 -71.4440     510 -71.6585
     511 -71.5380     512 -71.5754     513 -71.4270     514 -71.6459     515 -71.5331
     516 -71.3326     517 -71.3435     518 -71.5508     519 -71.5297     520 -71.5906
     521 -71.5393     522 -71.4556     523 -71.5459     524 -71.4065     525 -71.5753
     526 -71.4837     527 -71.5928     528 -71.4372     529 -71.1299     530 -71.3969
     531 -76.8949     532 -76.8040     533 -76.7897     534 -76.8409     535 -76.7529
     536 -76.5792     537 -76.7603     538 -76.8565     539 -76.8201     540 -76.4387
     541 -76.8935     542 -76.8004     543 -76.6444     544 -76.6211     545 -76.8193
     546 -76.7883     547 -76.8883     548 -76.7525     549 -76.7874     550 -76.5640
     551 -76.6397     552 -76.5644     553 -76.6775     554 -76.6890     555 -77.0195
     556 -76.6041     557 -76.9523     558 -76.7557     559 -76.9744     560 -76.6896
     561 -76.7820     562 -76.6462     563 -76.7387     564 -76.7567     565 -76.6489
     566 -76.6757     567 -76.8802     568 -76.9257     569 -76.5099     570 -76.7574
     571 -76.8958     572 -76.7535     573 -76.8160     574 -76.6704     575 -76.6271
     576 -76.6283     577 -76.6392     578 -76.7891     579 -82.4022     580 -82.3700
     581 -82.5349     582 -82.3807     583 -82.3508     584 -82.3536     585 -82.5450
     586 -82.5622     587 -82.6087     588 -82.2814     589 -82.2806     590 -82.4691
     591 -82.4578     592 -82.3160     593 -82.5248     594 -82.6188     595 -82.5925
     596 -82.7570     597 -82.5114     598 -82.4882     599 -82.5918     600 -82.3295
     601 -82.2754     602 -82.0757     603 -82.5503     604 -82.4152     605 -82.7750
     606 -82.3316     607 -82.3931     608 -82.6162     609 -82.5691     610 -82.2430
     611 -82.6339     612 -82.4449     613 -82.3265     614 -82.3398     615 -82.5070
     616 -82.5774     617 -82.4874     618 -82.7748     619 -82.8717     620 -82.7150
     621 -82.2754     622 -82.3521     623 -82.5664     624 -82.3707     625 -82.5351
     626 -82.2014     627 -82.1845     628 -82.3136     629 -82.3788     630 -82.4515
     631 -82.6785     632 -82.4145     633 -82.3655     634 -82.5312     635 -82.4858
     636 -82.2817     637 -82.4105     638 -82.3292     639 -82.2997     640 -82.3203
     641 -82.4013     642 -82.4205     643 -82.6499     644 -82.5297     645 -82.4311
     646 -82.5134     647 -82.6020     648 -82.4046     649 -82.3404     650 -82.3175
 
 
 
 E-fermi :  -1.4371     XC(G=0):  -6.4450     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.3105      2.00000
      2     -29.1077      2.00000
      3     -29.0848      2.00000
      4     -29.0393      2.00000
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     10     -28.9578      2.00000
     11     -28.9533      2.00000
     12     -28.9198      2.00000
     13     -28.9089      2.00000
     14     -28.8751      2.00000
     15     -28.8690      2.00000
     16     -28.8412      2.00000
     17     -28.7719      2.00000
     18     -28.7681      2.00000
     19     -28.7653      2.00000
     20     -28.7152      2.00000
     21     -28.6669      2.00000
     22     -28.6627      2.00000
     23     -28.6406      2.00000
     24     -28.5063      2.00000
     25     -27.0534      2.00000
     26     -26.8812      2.00000
     27     -26.8166      2.00000
     28     -26.8018      2.00000
     29     -26.7748      2.00000
     30     -26.7266      2.00000
     31     -26.7257      2.00000
     32     -26.7134      2.00000
     33     -26.7120      2.00000
     34     -26.6871      2.00000
     35     -26.6598      2.00000
     36     -26.6565      2.00000
     37     -26.6406      2.00000
     38     -26.6357      2.00000
     39     -26.6220      2.00000
     40     -26.6141      2.00000
     41     -26.5965      2.00000
     42     -26.5878      2.00000
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     44     -26.5652      2.00000
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     46     -26.5629      2.00000
     47     -26.5544      2.00000
     48     -26.5421      2.00000
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     50     -26.5257      2.00000
     51     -26.5060      2.00000
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     55     -26.4606      2.00000
     56     -26.4440      2.00000
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     64     -26.3597      2.00000
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     66     -26.3443      2.00000
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     68     -26.3395      2.00000
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     73     -23.4077      2.00000
     74     -23.3518      2.00000
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     95     -23.0171      2.00000
     96     -22.9890      2.00000
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    121     -20.4912      2.00000
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   1115      -3.5398      2.00000
   1116      -3.5308      2.00000
   1117      -3.4979      2.00000
   1118      -3.4678      2.00000
   1119      -3.4311      2.00000
   1120      -3.3735      2.00000
   1121      -3.3730      2.00000
   1122      -3.3561      2.00000
   1123      -3.3447      2.00000
   1124      -3.2887      2.00000
   1125      -3.2589      2.00000
   1126      -3.2450      2.00000
   1127      -3.2257      2.00000
   1128      -3.2196      2.00000
   1129      -3.1858      2.00000
   1130      -3.1518      2.00000
   1131      -3.1406      2.00000
   1132      -3.1256      2.00000
   1133      -3.1026      2.00000
   1134      -3.0992      2.00000
   1135      -3.0880      2.00000
   1136      -3.0681      2.00000
   1137      -3.0631      2.00000
   1138      -3.0416      2.00000
   1139      -3.0305      2.00000
   1140      -3.0298      2.00000
   1141      -3.0232      2.00000
   1142      -3.0148      2.00000
   1143      -3.0081      2.00000
   1144      -3.0045      2.00000
   1145      -2.9997      2.00000
   1146      -2.9909      2.00000
   1147      -2.9826      2.00000
   1148      -2.9793      2.00000
   1149      -2.9760      2.00000
   1150      -2.9575      2.00000
   1151      -2.9473      2.00000
   1152      -2.9405      2.00000
   1153      -2.9339      2.00000
   1154      -2.9209      2.00000
   1155      -2.9091      2.00000
   1156      -2.9085      2.00000
   1157      -2.9062      2.00000
   1158      -2.8978      2.00000
   1159      -2.8915      2.00000
   1160      -2.8908      2.00000
   1161      -2.8829      2.00000
   1162      -2.8775      2.00000
   1163      -2.8631      2.00000
   1164      -2.8515      2.00000
   1165      -2.8392      2.00000
   1166      -2.8318      2.00000
   1167      -2.8254      2.00000
   1168      -2.8028      2.00000
   1169      -2.7814      2.00000
   1170      -2.7745      2.00000
   1171      -2.7452      2.00000
   1172      -2.7327      2.00000
   1173      -2.7176      2.00000
   1174      -2.7146      2.00000
   1175      -2.7079      2.00000
   1176      -2.6865      2.00000
   1177      -2.6693      2.00000
   1178      -2.6623      2.00000
   1179      -2.6475      2.00000
   1180      -2.6104      2.00000
   1181      -2.6031      2.00000
   1182      -2.5845      2.00000
   1183      -2.5807      2.00000
   1184      -2.5615      2.00000
   1185      -2.5554      2.00000
   1186      -2.5504      2.00000
   1187      -2.5443      2.00000
   1188      -2.5346      2.00000
   1189      -2.5231      2.00000
   1190      -2.5216      2.00000
   1191      -2.5130      2.00000
   1192      -2.4951      2.00000
   1193      -2.4890      2.00000
   1194      -2.4786      2.00000
   1195      -2.4629      2.00000
   1196      -2.4617      2.00000
   1197      -2.4539      2.00000
   1198      -2.4530      2.00000
   1199      -2.4388      2.00000
   1200      -2.4361      2.00000
   1201      -2.4335      2.00000
   1202      -2.4247      2.00000
   1203      -2.4169      2.00000
   1204      -2.4115      2.00000
   1205      -2.3985      2.00000
   1206      -2.3941      2.00000
   1207      -2.3877      2.00000
   1208      -2.3824      2.00000
   1209      -2.3683      2.00000
   1210      -2.3650      2.00000
   1211      -2.3546      2.00000
   1212      -2.3442      2.00000
   1213      -2.3305      2.00000
   1214      -2.3235      2.00000
   1215      -2.3156      2.00000
   1216      -2.3093      2.00000
   1217      -2.3015      2.00000
   1218      -2.3008      2.00000
   1219      -2.2938      2.00000
   1220      -2.2868      2.00000
   1221      -2.2824      2.00000
   1222      -2.2812      2.00000
   1223      -2.2655      2.00000
   1224      -2.2604      2.00000
   1225      -2.2558      2.00000
   1226      -2.2469      2.00000
   1227      -2.2364      2.00000
   1228      -2.2277      2.00000
   1229      -2.2115      2.00000
   1230      -2.2047      2.00000
   1231      -2.1856      2.00000
   1232      -2.1760      2.00000
   1233      -2.1656      2.00000
   1234      -2.1486      2.00001
   1235      -2.1416      2.00001
   1236      -2.0973      2.00003
   1237      -2.0859      2.00004
   1238      -1.7950      2.02967
   1239      -1.7145      2.06446
   1240      -1.6838      2.07089
   1241      -1.6750      2.07051
   1242      -1.6602      2.06668
   1243      -1.6335      2.04637
   1244      -1.6179      2.02421
   1245      -1.6002      1.98791
   1246      -1.5943      1.97285
   1247      -1.5901      1.96118
   1248      -1.5618      1.86049
   1249      -1.5581      1.84469
   1250       0.1412     -0.00000
   1251       0.1857     -0.00000
   1252       0.2257     -0.00000
   1253       0.2476     -0.00000
   1254       0.2576     -0.00000
   1255       0.2729     -0.00000
   1256       0.3247     -0.00000
   1257       0.3432     -0.00000
   1258       0.3819     -0.00000
   1259       0.3935     -0.00000
   1260       0.3995     -0.00000
   1261       0.4862     -0.00000
   1262       0.6393     -0.00000
   1263       0.7114     -0.00000
   1264       0.7186     -0.00000
   1265       0.7270     -0.00000
   1266       0.7415     -0.00000
   1267       0.7807     -0.00000
   1268       0.7903     -0.00000
   1269       0.8107     -0.00000
   1270       0.8257     -0.00000
   1271       0.8276     -0.00000
   1272       0.8588     -0.00000
   1273       0.8755     -0.00000
   1274       0.8958     -0.00000
   1275       0.9227     -0.00000
   1276       0.9327     -0.00000
   1277       0.9523     -0.00000
   1278       0.9717     -0.00000
   1279       0.9972     -0.00000
   1280       1.0414     -0.00000
   1281       1.0801     -0.00000
   1282       1.0947     -0.00000
   1283       1.1191     -0.00000
   1284       1.1345     -0.00000
   1285       1.1853     -0.00000
   1286       1.2294     -0.00000
   1287       1.2697     -0.00000
   1288       1.3524     -0.00000
   1289       1.3599     -0.00000
   1290       1.3924     -0.00000
   1291       1.4626     -0.00000
   1292       1.5590     -0.00000
   1293       1.5658     -0.00000
   1294       1.5750     -0.00000
   1295       1.6198     -0.00000
   1296       1.6522     -0.00000
   1297       1.6829     -0.00000
   1298       1.8478     -0.00000
   1299       1.8607     -0.00000
   1300       1.8983     -0.00000
   1301       1.9240     -0.00000
   1302       1.9459     -0.00000
   1303       1.9597     -0.00000
   1304       1.9992     -0.00000
   1305       2.0104     -0.00000
   1306       2.0461     -0.00000
   1307       2.0784     -0.00000
   1308       2.0806     -0.00000
   1309       2.0869     -0.00000
   1310       2.1057     -0.00000
   1311       2.1177     -0.00000
   1312       2.1432     -0.00000
   1313       2.1630     -0.00000
   1314       2.1729     -0.00000
   1315       2.1996     -0.00000
   1316       2.2130     -0.00000
   1317       2.2478     -0.00000
   1318       2.2513     -0.00000
   1319       2.2640     -0.00000
   1320       2.3438     -0.00000
   1321       2.3484     -0.00000
   1322       2.3751     -0.00000
   1323       2.4202     -0.00000
   1324       2.4233     -0.00000
   1325       2.4630     -0.00000
   1326       2.4805     -0.00000
   1327       2.5096     -0.00000
   1328       2.5355     -0.00000
   1329       2.5484     -0.00000
   1330       2.5700     -0.00000
   1331       2.5900     -0.00000
   1332       2.6158     -0.00000
   1333       2.6246     -0.00000
   1334       2.6362     -0.00000
   1335       2.6482     -0.00000
   1336       2.6724     -0.00000
   1337       2.6795     -0.00000
   1338       2.6950     -0.00000
   1339       2.7028     -0.00000
   1340       2.7159     -0.00000
   1341       2.7243     -0.00000
   1342       2.7485     -0.00000
   1343       2.7736     -0.00000
   1344       2.8348     -0.00000
   1345       2.8412     -0.00000
   1346       2.9507     -0.00000
   1347       2.9967     -0.00000
   1348       3.0296     -0.00000
   1349       3.0537     -0.00000
   1350       3.0593     -0.00000
   1351       3.0772     -0.00000
   1352       3.0952     -0.00000
   1353       3.1298     -0.00000
   1354       3.1455     -0.00000
   1355       3.1610     -0.00000
   1356       3.1831     -0.00000
   1357       3.2044     -0.00000
   1358       3.2351     -0.00000
   1359       3.2508     -0.00000
   1360       3.2744     -0.00000
   1361       3.3207     -0.00000
   1362       3.4300     -0.00000
   1363       3.4842     -0.00000
   1364       3.5472     -0.00000
   1365       3.6179     -0.00000
   1366       3.6589     -0.00000
   1367       3.7214     -0.00000
   1368       3.7394     -0.00000
   1369       3.7718     -0.00000
   1370       3.7941     -0.00000
   1371       3.8085     -0.00000
   1372       3.8306     -0.00000
   1373       3.8602     -0.00000
   1374       3.8698     -0.00000
   1375       3.8913      0.00000
   1376       3.9066      0.00000
   1377       3.9284      0.00000
   1378       3.9479      0.00000
   1379       3.9619      0.00000
   1380       3.9712      0.00000
   1381       3.9780      0.00000
   1382       3.9986      0.00000
   1383       4.0156      0.00000
   1384       4.0425      0.00000
   1385       4.0472      0.00000
   1386       4.0589      0.00000
   1387       4.0661      0.00000
   1388       4.0727      0.00000
   1389       4.0991      0.00000
   1390       4.1085      0.00000
   1391       4.1193      0.00000
   1392       4.1281      0.00000
   1393       4.1538      0.00000
   1394       4.1682      0.00000
   1395       4.1770      0.00000
   1396       4.1832      0.00000
   1397       4.1897      0.00000
   1398       4.1996      0.00000
   1399       4.2062      0.00000
   1400       4.2198      0.00000
   1401       4.2393      0.00000
   1402       4.2602      0.00000
   1403       4.2665      0.00000
   1404       4.2845      0.00000
   1405       4.3026      0.00000
   1406       4.3198      0.00000
   1407       4.3280      0.00000
   1408       4.3338      0.00000
   1409       4.3508      0.00000
   1410       4.3701      0.00000
   1411       4.3794      0.00000
   1412       4.4033      0.00000
   1413       4.4106      0.00000
   1414       4.4147      0.00000
   1415       4.4204      0.00000
   1416       4.4487      0.00000
   1417       4.4660      0.00000
   1418       4.4739      0.00000
   1419       4.4868      0.00000
   1420       4.5000      0.00000
   1421       4.5083      0.00000
   1422       4.5168      0.00000
   1423       4.5391      0.00000
   1424       4.5468      0.00000
   1425       4.5786      0.00000
   1426       4.5881      0.00000
   1427       4.6129      0.00000
   1428       4.6201      0.00000
   1429       4.6337      0.00000
   1430       4.6469      0.00000
   1431       4.6579      0.00000
   1432       4.6931      0.00000
   1433       4.7034      0.00000
   1434       4.7372      0.00000
   1435       4.7686      0.00000
   1436       4.7894      0.00000
   1437       4.8111      0.00000
   1438       4.8269      0.00000
   1439       4.8411      0.00000
   1440       4.8639      0.00000
   1441       4.8862      0.00000
   1442       4.8944      0.00000
   1443       4.9110      0.00000
   1444       4.9535      0.00000
   1445       4.9610      0.00000
   1446       4.9703      0.00000
   1447       4.9815      0.00000
   1448       4.9907      0.00000
   1449       5.0077      0.00000
   1450       5.0202      0.00000
   1451       5.0296      0.00000
   1452       5.0460      0.00000
   1453       5.0646      0.00000
   1454       5.0792      0.00000
   1455       5.0975      0.00000
   1456       5.1222      0.00000
   1457       5.1297      0.00000
   1458       5.1438      0.00000
   1459       5.1494      0.00000
   1460       5.1684      0.00000
   1461       5.1751      0.00000
   1462       5.2092      0.00000
   1463       5.2305      0.00000
   1464       5.2451      0.00000
   1465       5.2575      0.00000
   1466       5.2604      0.00000
   1467       5.2886      0.00000
   1468       5.3098      0.00000
   1469       5.3218      0.00000
   1470       5.3258      0.00000
   1471       5.3354      0.00000
   1472       5.3523      0.00000
   1473       5.3582      0.00000
   1474       5.3632      0.00000
   1475       5.3744      0.00000
   1476       5.3958      0.00000
   1477       5.3997      0.00000
   1478       5.4033      0.00000
   1479       5.4163      0.00000
   1480       5.4367      0.00000
   1481       5.4445      0.00000
   1482       5.4533      0.00000
   1483       5.4727      0.00000
   1484       5.4769      0.00000
   1485       5.4890      0.00000
   1486       5.4946      0.00000
   1487       5.5100      0.00000
   1488       5.5179      0.00000
   1489       5.5185      0.00000
   1490       5.5266      0.00000
   1491       5.5341      0.00000
   1492       5.5392      0.00000
   1493       5.5534      0.00000
   1494       5.5553      0.00000
   1495       5.5647      0.00000
   1496       5.5719      0.00000
   1497       5.5836      0.00000
   1498       5.5876      0.00000
   1499       5.5991      0.00000
   1500       5.6076      0.00000
   1501       5.6235      0.00000
   1502       5.6297      0.00000
   1503       5.6405      0.00000
   1504       5.6460      0.00000
   1505       5.6684      0.00000
   1506       5.6762      0.00000
   1507       5.6801      0.00000
   1508       5.6855      0.00000
   1509       5.6943      0.00000
   1510       5.7086      0.00000
   1511       5.7103      0.00000
   1512       5.7172      0.00000
   1513       5.7315      0.00000
   1514       5.7357      0.00000
   1515       5.7498      0.00000
   1516       5.7616      0.00000
   1517       5.7746      0.00000
   1518       5.7793      0.00000
   1519       5.7894      0.00000
   1520       5.7967      0.00000
   1521       5.8085      0.00000
   1522       5.8224      0.00000
   1523       5.8317      0.00000
   1524       5.8357      0.00000
   1525       5.8477      0.00000
   1526       5.8484      0.00000
   1527       5.8563      0.00000
   1528       5.8728      0.00000
   1529       5.8850      0.00000
   1530       5.8996      0.00000
   1531       5.9120      0.00000
   1532       5.9204      0.00000
   1533       5.9266      0.00000
   1534       5.9373      0.00000
   1535       5.9410      0.00000
   1536       5.9468      0.00000
   1537       5.9626      0.00000
   1538       5.9726      0.00000
   1539       5.9789      0.00000
   1540       5.9877      0.00000
   1541       6.0013      0.00000
   1542       6.0114      0.00000
   1543       6.0151      0.00000
   1544       6.0249      0.00000
   1545       6.0311      0.00000
   1546       6.0399      0.00000
   1547       6.0534      0.00000
   1548       6.0567      0.00000
   1549       6.0733      0.00000
   1550       6.0868      0.00000
   1551       6.0966      0.00000
   1552       6.1011      0.00000
   1553       6.1135      0.00000
   1554       6.1168      0.00000
   1555       6.1225      0.00000
   1556       6.1268      0.00000
   1557       6.1364      0.00000
   1558       6.1416      0.00000
   1559       6.1468      0.00000
   1560       6.1593      0.00000
   1561       6.1636      0.00000
   1562       6.1798      0.00000
   1563       6.1929      0.00000
   1564       6.1984      0.00000
   1565       6.2123      0.00000
   1566       6.2212      0.00000
   1567       6.2248      0.00000
   1568       6.2315      0.00000
   1569       6.2379      0.00000
   1570       6.2432      0.00000
   1571       6.2508      0.00000
   1572       6.2647      0.00000
   1573       6.2743      0.00000
   1574       6.2769      0.00000
   1575       6.2847      0.00000
   1576       6.2899      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.086  13.409  -0.001   0.001   0.000   0.002  -0.004   0.000
 13.409  17.827  -0.001   0.002   0.000   0.003  -0.006   0.000
 -0.001  -0.001  -4.230   0.003   0.001   8.272  -0.004  -0.001
  0.001   0.002   0.003  -4.230   0.001  -0.004   8.272  -0.001
  0.000   0.000   0.001   0.001  -4.223  -0.001  -0.001   8.263
  0.002   0.003   8.272  -0.004  -0.001 -18.308   0.007   0.001
 -0.004  -0.006  -0.004   8.272  -0.001   0.007 -18.304   0.001
  0.000   0.000  -0.001  -0.001   8.263   0.001   0.001 -18.299
 total augmentation occupancy for first ion, spin component:           1
  8.565  -3.872   0.158   0.139  -0.050   0.019   0.026  -0.008
 -3.872   1.824  -0.080  -0.094   0.028  -0.008  -0.015   0.004
  0.158  -0.080   1.796  -0.058  -0.039   0.170  -0.011  -0.007
  0.139  -0.094  -0.058   1.917  -0.075  -0.011   0.179  -0.010
 -0.050   0.028  -0.039  -0.075   1.222  -0.007  -0.010   0.081
  0.019  -0.008   0.170  -0.011  -0.007   0.018  -0.002  -0.001
  0.026  -0.015  -0.011   0.179  -0.010  -0.002   0.018  -0.001
 -0.008   0.004  -0.007  -0.010   0.081  -0.001  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -52970.04206104185.00732 29916.92933-12445.85285  6764.63437 23096.67051
  Hartree  2443.23897131003.96934 68148.83644-12738.30564  4747.43428 17540.29069
  E(xc)  -10744.27012-10598.97374-10642.81552     2.42699     7.99021    31.08920
  Local   17117.59253************************ 25170.84950-11548.35646-40068.23034
  n-local -5860.78238 -5988.51543 -6047.50988     5.43563    17.58870   -61.53958
  augment  1491.85138  1537.15522  1487.08702     4.95819    13.21010    -1.79734
  Kinetic 45577.63418 43258.81743 43784.24428   -26.94281   -76.54271  -534.58187
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -36.9187671   -380.0274798    -66.6233555    -27.4310039    -74.0415068      1.9012769
  in kB       -6.1564999    -63.3726241    -11.1099778     -4.5743395    -12.3470139      0.3170531
  external PRESSURE =     -26.8797006 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.261E+03 -.120E+03 0.251E+03   0.261E+03 0.121E+03 -.252E+03   -.397E-01 -.551E+00 0.143E+01   0.866E-03 0.170E-03 -.204E-04
   -.216E+03 -.142E+03 0.522E+02   0.216E+03 0.144E+03 -.519E+02   0.286E+00 -.122E+01 -.446E+00   0.585E-03 -.969E-04 0.564E-05
   -.186E+03 -.129E+03 0.413E+01   0.186E+03 0.130E+03 -.252E+01   0.291E+00 -.115E+01 -.154E+01   0.704E-03 -.446E-03 -.321E-03
   -.241E+03 -.106E+03 0.350E+03   0.242E+03 0.106E+03 -.352E+03   -.240E+00 -.134E+00 0.246E+01   0.726E-03 0.312E-04 -.393E-03
   -.193E+03 -.154E+03 0.311E+03   0.193E+03 0.155E+03 -.312E+03   0.229E+00 -.713E+00 0.948E+00   0.397E-04 -.200E-03 -.463E-03
   -.170E+03 -.119E+03 0.171E+03   0.170E+03 0.119E+03 -.172E+03   0.108E+00 -.106E+00 -.287E-01   0.328E-03 -.356E-03 -.230E-03
   -.271E+03 -.138E+03 0.181E+03   0.270E+03 0.142E+03 -.181E+03   0.396E+00 -.452E+01 0.640E+00   0.100E-02 -.472E-04 0.499E-03
   -.198E+03 -.119E+03 0.280E+02   0.198E+03 0.123E+03 -.297E+02   -.505E+00 -.404E+01 0.203E+01   0.267E-03 -.502E-03 0.776E-03
   -.121E+03 0.869E+01 0.203E+03   0.121E+03 -.874E+01 -.203E+03   0.210E+00 -.326E-01 0.689E-01   0.396E-03 0.374E-04 -.214E-03
   -.970E+02 0.901E+02 0.666E+02   0.966E+02 -.915E+02 -.655E+02   0.458E+00 0.131E+01 -.119E+01   0.938E-03 0.644E-04 -.286E-03
   -.110E+03 0.115E+03 0.137E+03   0.110E+03 -.116E+03 -.137E+03   0.187E+00 0.101E+01 0.231E-01   0.676E-03 0.187E-03 -.476E-03
   -.128E+03 0.748E+01 0.340E+03   0.128E+03 -.810E+01 -.341E+03   -.210E+00 0.246E+00 0.109E+01   -.558E-04 0.553E-03 -.577E-03
   -.131E+03 -.314E+02 0.373E+03   0.131E+03 0.324E+02 -.376E+03   -.154E+00 -.859E+00 0.237E+01   0.580E-04 0.110E-02 -.814E-03
   -.134E+03 0.357E+02 0.312E+03   0.134E+03 -.357E+02 -.313E+03   0.276E-01 -.295E-01 0.151E+01   0.394E-03 0.532E-03 -.889E-03
   -.134E+03 0.124E+03 0.273E+03   0.134E+03 -.130E+03 -.274E+03   0.457E+00 0.405E+01 0.203E+01   0.669E-03 0.248E-02 -.173E-02
   -.105E+03 0.126E+03 0.111E+03   0.105E+03 -.128E+03 -.114E+03   0.216E+00 0.297E+01 0.342E+01   0.408E-03 0.640E-03 0.725E-04
   -.101E+03 0.123E+03 0.627E+02   0.101E+03 -.118E+03 -.586E+02   -.540E+00 -.474E+01 -.402E+01   0.190E-03 -.921E-03 -.142E-02
   -.295E+02 0.208E+03 -.155E+03   0.288E+02 -.210E+03 0.157E+03   0.524E+00 0.162E+01 -.203E+01   0.383E-03 -.123E-02 -.124E-03
   0.572E+01 0.155E+03 -.207E+03   -.609E+01 -.155E+03 0.209E+03   0.420E+00 -.658E-04 -.205E+01   -.197E-03 -.310E-03 0.108E-02
   -.880E+02 0.127E+03 0.193E+03   0.889E+02 -.126E+03 -.196E+03   -.958E+00 -.792E+00 0.304E+01   0.359E-03 -.505E-03 -.132E-02
   -.177E+02 0.849E+02 -.694E+01   0.163E+02 -.866E+02 0.833E+01   0.141E+01 0.147E+01 -.100E+01   -.301E-03 -.572E-03 -.103E-02
   -.271E+02 0.155E+02 -.147E+03   0.273E+02 -.156E+02 0.148E+03   -.272E+00 0.313E+00 -.785E+00   -.468E-03 -.190E-03 0.368E-03
   -.640E+02 -.292E+02 -.186E+03   0.644E+02 0.295E+02 0.186E+03   -.377E+00 -.403E+00 0.685E+00   -.414E-03 -.337E-03 0.875E-03
   -.592E+02 -.699E+02 -.244E+03   0.603E+02 0.716E+02 0.243E+03   -.114E+01 -.153E+01 0.126E+01   -.706E-03 -.342E-03 0.137E-02
   -.370E+02 -.155E+03 -.356E+03   0.366E+02 0.156E+03 0.358E+03   0.418E+00 -.290E+00 -.181E+01   -.737E-03 0.360E-04 0.151E-02
   -.124E+03 -.171E+03 -.170E+03   0.125E+03 0.171E+03 0.168E+03   -.719E+00 -.471E+00 0.188E+01   -.918E-04 -.976E-04 0.103E-02
   -.100E+03 -.292E+03 -.204E+03   0.101E+03 0.293E+03 0.204E+03   -.143E+00 -.907E+00 0.282E+00   -.230E-03 -.101E-04 0.121E-02
   -.553E+02 -.265E+03 -.313E+03   0.553E+02 0.266E+03 0.313E+03   0.150E+00 -.110E+01 -.615E+00   -.707E-03 -.409E-04 0.116E-02
   -.520E+02 -.163E+02 -.234E+03   0.577E+02 0.243E+02 0.229E+03   -.563E+01 -.782E+01 0.514E+01   -.117E-02 -.427E-03 0.159E-03
   -.252E+02 0.497E+02 0.354E+02   0.202E+02 -.585E+02 -.303E+02   0.495E+01 0.882E+01 -.454E+01   -.240E-02 0.613E-03 -.230E-02
   -.223E+03 -.267E+02 -.431E+02   0.223E+03 0.267E+02 0.447E+02   -.747E-01 -.213E+00 -.176E+01   -.910E-04 -.468E-04 -.663E-04
   -.156E+03 -.152E+03 0.134E+03   0.156E+03 0.153E+03 -.134E+03   0.276E-02 -.133E+01 -.307E+00   -.766E-03 -.352E-03 -.152E-03
   -.172E+03 -.156E+03 0.171E+03   0.172E+03 0.157E+03 -.172E+03   0.136E+00 -.153E+01 0.948E+00   -.879E-03 -.580E-03 -.249E-03
   -.327E+03 0.889E+01 -.166E+03   0.326E+03 -.109E+02 0.169E+03   0.405E+00 0.178E+01 -.292E+01   0.637E-03 -.188E-03 -.675E-03
   -.312E+03 -.720E+02 -.195E+03   0.312E+03 0.724E+02 0.196E+03   0.298E+00 -.539E-01 -.133E+01   0.510E-03 -.413E-03 -.440E-03
   -.238E+03 -.721E+02 -.147E+02   0.238E+03 0.719E+02 0.150E+02   0.290E+00 0.184E+00 0.896E-02   -.259E-03 -.449E-03 -.187E-04
   -.122E+03 -.584E+02 0.636E+00   0.123E+03 0.634E+02 0.144E+01   -.583E+00 -.409E+01 -.247E+01   -.689E-03 -.681E-03 -.272E-03
   -.727E+02 -.143E+03 0.114E+03   0.730E+02 0.146E+03 -.110E+03   -.233E+00 -.304E+01 -.385E+01   -.122E-02 -.432E-03 -.584E-03
   -.208E+03 0.486E+02 -.240E+02   0.208E+03 -.489E+02 0.239E+02   0.189E+00 0.356E+00 -.152E+00   -.243E-03 -.149E-03 0.248E-03
   -.121E+03 0.635E+02 0.182E+03   0.121E+03 -.649E+02 -.184E+03   0.219E+00 0.109E+01 0.173E+01   -.620E-03 0.111E-03 0.671E-04
   -.862E+02 0.862E+02 0.103E+03   0.863E+02 -.877E+02 -.103E+03   -.275E+00 0.150E+01 0.248E+00   -.289E-03 0.767E-04 0.384E-04
   -.236E+03 0.866E+02 -.238E+03   0.236E+03 -.877E+02 0.239E+03   -.519E-01 0.816E+00 -.981E+00   0.265E-03 0.121E-03 0.221E-04
   -.191E+03 0.412E+02 -.310E+03   0.191E+03 -.413E+02 0.312E+03   0.276E+00 0.149E+00 -.222E+01   0.148E-03 0.367E-04 0.177E-03
   -.118E+03 0.648E+02 -.165E+03   0.118E+03 -.656E+02 0.166E+03   -.222E-01 0.876E+00 -.135E+01   -.808E-04 -.523E-03 0.308E-03
   -.594E+02 0.110E+03 -.990E+02   0.592E+02 -.115E+03 0.987E+02   0.386E+00 0.474E+01 -.304E+00   -.318E-03 0.646E-03 0.518E-03
   -.177E+02 0.885E+02 0.134E+03   0.173E+02 -.928E+02 -.133E+03   0.630E+00 0.445E+01 -.203E+01   -.155E-03 0.616E-03 0.126E-03
   0.350E+02 0.578E+02 0.972E+02   -.336E+02 -.520E+02 -.991E+02   -.130E+01 -.580E+01 0.175E+01   -.816E-04 -.259E-03 -.604E-03
   -.192E+01 0.136E+03 0.279E+03   0.299E+01 -.137E+03 -.282E+03   -.107E+01 0.120E+01 0.241E+01   0.358E-03 -.103E-03 -.150E-02
   -.349E+02 0.132E+03 0.246E+03   0.359E+02 -.132E+03 -.248E+03   -.105E+01 -.424E+00 0.179E+01   0.590E-03 0.375E-04 -.213E-02
   0.438E+02 0.829E+02 -.614E+02   -.446E+02 -.832E+02 0.647E+02   0.707E+00 0.931E-01 -.339E+01   -.789E-03 0.146E-03 -.318E-03
   0.627E+01 0.347E+02 0.248E+02   -.569E+01 -.358E+02 -.269E+02   -.473E+00 0.940E+00 0.189E+01   -.269E-03 0.876E-04 -.314E-03
   -.879E+01 0.177E+02 0.900E+02   0.930E+01 -.173E+02 -.910E+02   -.453E+00 -.300E+00 0.751E+00   0.398E-03 -.510E-04 -.110E-02
   -.947E+02 -.100E+01 0.452E+02   0.946E+02 0.988E+00 -.445E+02   0.441E-01 -.106E-01 -.549E+00   0.332E-03 -.228E-03 -.816E-03
   -.193E+03 -.191E+02 0.103E+03   0.193E+03 0.201E+02 -.101E+03   0.684E+00 -.733E+00 -.160E+01   0.814E-03 -.102E-02 -.882E-03
   -.275E+03 -.775E+02 0.177E+03   0.276E+03 0.775E+02 -.181E+03   -.125E+01 -.140E+00 0.327E+01   0.144E-02 -.192E-03 -.321E-03
   -.986E+02 -.125E+03 -.125E+03   0.981E+02 0.125E+03 0.126E+03   0.467E+00 0.552E+00 -.195E+01   -.887E-05 -.260E-04 -.529E-03
   -.133E+03 -.131E+03 -.165E+03   0.132E+03 0.132E+03 0.168E+03   0.477E+00 -.100E+01 -.265E+01   0.270E-03 0.445E-03 -.414E-03
   -.207E+03 -.604E+02 0.373E+02   0.206E+03 0.542E+02 -.355E+02   0.109E+01 0.625E+01 -.174E+01   0.741E-03 0.549E-03 -.210E-03
   -.230E+03 0.168E+02 0.158E+03   0.227E+03 -.103E+02 -.150E+03   0.226E+01 -.604E+01 -.843E+01   0.158E-03 -.304E-02 -.128E-02
   -.521E+02 0.697E+01 -.640E+02   0.543E+02 -.136E+02 0.554E+02   -.220E+01 0.677E+01 0.841E+01   -.107E-03 0.413E-03 0.728E-03
   -.391E+03 -.769E+02 0.848E+02   0.392E+03 0.779E+02 -.863E+02   -.739E-01 -.719E+00 0.157E+01   0.836E-03 0.153E-03 0.699E-03
   -.387E+03 -.106E+03 -.891E+02   0.387E+03 0.107E+03 0.895E+02   0.137E+00 -.119E+01 -.375E+00   0.775E-03 -.987E-04 0.634E-03
   -.351E+03 -.910E+02 -.129E+03   0.351E+03 0.919E+02 0.131E+03   0.128E+00 -.118E+01 -.157E+01   0.118E-02 -.528E-03 0.444E-03
   -.327E+03 -.650E+02 0.169E+03   0.327E+03 0.650E+02 -.171E+03   -.961E-01 -.224E+00 0.223E+01   0.991E-03 0.360E-03 0.831E-03
   -.273E+03 -.117E+03 0.130E+03   0.273E+03 0.118E+03 -.130E+03   0.220E+00 -.665E+00 0.978E+00   0.687E-03 -.495E-03 0.519E-03
   -.295E+03 -.861E+02 0.501E+01   0.296E+03 0.864E+02 -.525E+01   -.997E-01 -.753E-01 -.124E+00   0.962E-03 -.630E-03 0.194E-03
   -.409E+03 -.982E+02 0.159E+02   0.409E+03 0.101E+03 -.182E+02   0.257E+00 -.472E+01 0.572E+00   0.488E-03 0.262E-03 0.164E-02
   -.393E+03 -.890E+02 -.519E+02   0.394E+03 0.929E+02 0.497E+02   -.646E+00 -.400E+01 0.239E+01   0.456E-03 -.485E-03 0.971E-03
   -.243E+03 0.455E+02 0.316E+02   0.243E+03 -.456E+02 -.317E+02   0.192E-01 -.758E-01 0.340E-01   0.128E-02 -.587E-05 0.336E-03
   -.266E+03 0.119E+03 -.656E+02   0.266E+03 -.121E+03 0.667E+02   0.247E+00 0.148E+01 -.120E+01   0.190E-02 0.438E-05 0.477E-03
   -.272E+03 0.137E+03 0.159E+01   0.272E+03 -.138E+03 -.164E+01   0.158E+00 0.128E+01 0.237E-01   0.172E-02 0.139E-03 0.461E-03
   -.191E+03 0.450E+02 0.133E+03   0.191E+03 -.456E+02 -.134E+03   -.139E+00 0.169E+00 0.122E+01   0.788E-03 0.520E-03 -.993E-05
   -.190E+03 -.104E+02 0.144E+03   0.190E+03 0.115E+02 -.146E+03   -.190E+00 -.106E+01 0.249E+01   0.691E-03 0.665E-03 -.281E-03
   -.251E+03 0.424E+02 0.125E+03   0.251E+03 -.426E+02 -.127E+03   -.440E-01 0.142E+00 0.148E+01   0.123E-02 0.278E-03 -.942E-04
   -.272E+03 0.101E+03 0.111E+03   0.272E+03 -.106E+03 -.112E+03   0.244E+00 0.412E+01 0.208E+01   0.139E-02 0.130E-02 -.167E-03
   -.298E+03 0.145E+03 0.718E+02   0.298E+03 -.148E+03 -.757E+02   0.263E-01 0.316E+01 0.348E+01   0.181E-02 0.396E-03 0.136E-02
   -.298E+03 0.110E+03 0.102E+03   0.298E+03 -.106E+03 -.985E+02   -.760E-01 -.489E+01 -.381E+01   0.150E-02 -.968E-03 -.184E-03
   -.175E+03 0.208E+03 0.287E+02   0.174E+03 -.210E+03 -.267E+02   0.697E+00 0.148E+01 -.195E+01   0.122E-02 -.880E-03 -.203E-03
   -.831E+02 0.126E+03 0.547E+02   0.823E+02 -.126E+03 -.530E+02   0.873E+00 0.108E+00 -.189E+01   0.819E-03 -.584E-03 -.173E-03
   -.334E+03 0.912E+02 0.198E+03   0.335E+03 -.903E+02 -.201E+03   -.104E+01 -.966E+00 0.291E+01   0.184E-02 -.101E-02 0.462E-04
   -.262E+03 0.683E+02 0.107E+03   0.261E+03 -.698E+02 -.106E+03   0.101E+01 0.141E+01 -.974E+00   0.102E-02 -.539E-03 -.609E-04
   -.165E+03 0.343E+01 0.871E+02   0.165E+03 -.337E+01 -.864E+02   0.430E-01 0.247E+00 -.536E+00   0.685E-03 -.632E-03 -.318E-03
   -.140E+03 -.246E+01 0.124E+03   0.140E+03 0.237E+01 -.125E+03   -.361E+00 -.267E+00 0.793E+00   0.245E-03 0.210E-03 -.352E-03
   -.718E+02 -.359E+02 0.888E+02   0.731E+02 0.378E+02 -.904E+02   -.118E+01 -.170E+01 0.149E+01   -.953E-04 0.344E-03 -.497E-03
   -.154E+02 -.625E+02 -.195E+02   0.143E+02 0.615E+02 0.230E+02   0.882E+00 0.100E+01 -.334E+01   -.123E-02 0.855E-03 -.694E-03
   -.215E+03 -.133E+03 0.167E+03   0.216E+03 0.134E+03 -.169E+03   -.117E+01 0.262E-01 0.199E+01   -.231E-03 -.149E-03 -.200E-03
   -.128E+03 -.213E+03 0.200E+03   0.129E+03 0.215E+03 -.202E+03   -.517E+00 -.151E+01 0.202E+01   -.619E-03 0.285E-04 0.687E-04
   -.311E+02 -.968E+02 0.104E+03   0.316E+02 0.924E+02 -.108E+03   -.388E+00 0.445E+01 0.399E+01   -.100E-02 0.586E-03 -.115E-03
   -.398E+02 -.292E+02 0.767E+02   0.445E+02 0.379E+02 -.822E+02   -.492E+01 -.850E+01 0.559E+01   0.229E-02 -.485E-03 -.368E-03
   -.323E+03 0.441E+02 0.942E+02   0.320E+03 -.533E+02 -.891E+02   0.353E+01 0.904E+01 -.471E+01   -.207E-02 0.113E-02 -.574E-03
   -.252E+03 -.182E+02 -.119E+03   0.253E+03 0.183E+02 0.121E+03   -.134E+00 -.859E-01 -.159E+01   0.304E-03 -.964E-03 0.723E-03
   -.213E+03 -.160E+03 0.494E+02   0.214E+03 0.161E+03 -.492E+02   -.189E+00 -.139E+01 -.322E+00   -.192E-03 -.892E-03 0.350E-03
   -.203E+03 -.179E+03 0.987E+02   0.203E+03 0.180E+03 -.998E+02   0.197E+00 -.160E+01 0.957E+00   -.913E-03 -.379E-03 0.129E-04
   -.310E+03 0.388E+02 -.208E+03   0.310E+03 -.403E+02 0.210E+03   0.330E+00 0.128E+01 -.259E+01   0.720E-03 -.123E-02 -.504E-04
   -.292E+03 -.557E+02 -.180E+03   0.291E+03 0.561E+02 0.181E+03   0.248E+00 -.883E-01 -.128E+01   0.818E-03 -.114E-02 -.285E-03
   -.225E+03 -.922E+02 -.243E+02   0.225E+03 0.920E+02 0.243E+02   0.344E+00 0.165E+00 -.421E-01   -.228E-03 -.569E-03 0.103E-03
   -.170E+03 -.512E+02 -.963E+02   0.171E+03 0.558E+02 0.984E+02   -.525E+00 -.408E+01 -.232E+01   -.569E-03 -.125E-02 0.107E-02
   -.156E+03 -.145E+03 0.139E+02   0.157E+03 0.148E+03 -.103E+02   -.575E-01 -.289E+01 -.392E+01   -.474E-03 -.831E-03 0.430E-03
   -.169E+03 0.304E+02 0.345E+02   0.169E+03 -.307E+02 -.345E+02   0.453E-01 0.269E+00 -.106E-02   -.315E-03 -.106E-03 0.903E-04
   -.972E+02 0.357E+02 0.175E+03   0.973E+02 -.369E+02 -.177E+03   -.212E+00 0.984E+00 0.169E+01   -.109E-02 0.181E-03 -.695E-04
   -.360E+02 0.633E+02 0.142E+03   0.359E+02 -.647E+02 -.142E+03   -.113E+00 0.149E+01 0.423E+00   -.731E-03 0.111E-03 -.923E-04
   -.199E+03 0.999E+02 -.792E+02   0.199E+03 -.101E+03 0.803E+02   -.229E-01 0.125E+01 -.128E+01   0.792E-03 0.214E-03 -.137E-03
   -.162E+03 0.524E+02 -.104E+03   0.162E+03 -.525E+02 0.107E+03   0.609E-01 0.348E+00 -.252E+01   0.990E-03 -.727E-04 -.433E-03
   -.535E+02 0.523E+02 -.100E+02   0.535E+02 -.533E+02 0.113E+02   0.114E+00 0.973E+00 -.129E+01   0.109E-03 -.292E-03 -.233E-04
   0.109E+02 0.897E+02 0.650E+02   -.107E+02 -.944E+02 -.651E+02   -.615E-01 0.486E+01 -.109E+00   -.268E-03 0.534E-03 -.241E-03
   0.234E+02 0.759E+02 0.103E+03   -.238E+02 -.802E+02 -.102E+03   0.557E+00 0.454E+01 -.183E+01   -.935E-03 0.701E-03 -.965E-05
   0.667E+02 0.545E+02 0.107E+03   -.656E+02 -.485E+02 -.108E+03   -.801E+00 -.601E+01 0.127E+01   -.514E-03 -.552E-03 -.532E-03
   -.634E+02 0.129E+03 0.206E+03   0.650E+02 -.130E+03 -.208E+03   -.154E+01 0.944E+00 0.207E+01   -.774E-04 -.165E-03 -.981E-03
   -.124E+03 0.121E+03 0.148E+03   0.126E+03 -.121E+03 -.150E+03   -.140E+01 -.576E+00 0.141E+01   0.214E-03 0.100E-03 -.136E-02
   0.116E+03 0.889E+02 0.199E+02   -.117E+03 -.892E+02 -.170E+02   0.112E+01 0.214E+00 -.292E+01   -.129E-02 0.127E-03 -.719E-03
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 -----------------------------------------------------------------------------------------------
   0.138E+02 0.513E+01 0.168E+02   -.192E-10 -.682E-12 0.739E-11   -.139E+02 -.505E+01 -.168E+02   0.946E-01 -.683E-01 0.436E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.97684      3.16008      1.40159         0.019258      0.149301     -0.068860
     12.77572      3.57787      2.70961         0.089787     -0.009398     -0.116476
     12.73705      4.94607      3.02985         0.006598      0.073288      0.065398
     13.00366      4.08303      0.36505        -0.021779     -0.272620     -0.034904
     12.93114      5.43326      0.68167         0.018164      0.287798     -0.040240
     12.85757      5.92927      2.00950         0.064821      0.070012     -0.213318
     13.10245      1.68622      1.35819        -0.302300      0.251376      0.395330
     12.60415      2.33193      3.53328        -0.176399     -0.000710      0.348495
     12.95614      7.43021      2.24223         0.164625     -0.086534     -0.112701
     12.93245      8.03982      3.52277         0.079053     -0.143620     -0.146856
     13.23921      9.39742      3.65735        -0.031211      0.027408      0.152020
     13.18565      8.30879      1.14400        -0.081974     -0.369379     -0.124063
     13.40085      9.67686      1.27765        -0.072445      0.182996      0.115895
     13.44852     10.21219      2.55902         0.151170     -0.020869     -0.031938
     13.67485     11.61315      3.00909        -0.264649     -1.285510      1.118317
     13.38133     10.23811      4.88783        -0.096577      0.321657     -0.347502
     13.73472     12.73933      5.31936        -0.105563     -0.175019      0.121864
     13.42466     12.64433      6.67670        -0.212969     -0.210577      0.273944
     13.42331     13.75726      7.52435         0.057346     -0.327944     -0.264382
     14.04134     14.02647      4.87363         0.024898      0.003602     -0.059429
     14.04198     15.13543      5.73593        -0.033065     -0.205050      0.394208
     13.77072     15.06484      7.15186        -0.076554      0.286637      0.182622
     13.82276     16.19838      8.22407        -0.002595     -0.108206     -0.108116
     13.27168     16.14298      9.56260        -0.022780      0.094963      0.004652
     13.36685     17.24533     10.43394        -0.011264      0.132976      0.089076
     14.40655     17.46583      7.94356         0.076653     -0.219954      0.040182
     14.40796     18.57931      8.78617         0.130127     -0.069065     -0.043032
     13.90907     18.46958     10.07354         0.154220      0.106679     -0.062398
     12.49631     15.01557     10.22196         0.088594      0.183808     -0.068567
     14.58029     16.34989      5.06916        -0.103352      0.051118      0.584523
      9.67728      3.86523      4.79657         0.086146     -0.214808     -0.170363
      9.76336      4.79227      3.77728        -0.044293     -0.076603     -0.165737
      9.91081      6.14855      4.08584         0.011670      0.199352     -0.059188
      9.70976      4.24457      6.12461         0.160662     -0.188330     -0.018452
      9.77356      5.58995      6.43807         0.164365      0.258953     -0.105528
      9.90320      6.58602      5.43465         0.005733     -0.013503      0.219245
      9.47570      2.50638      4.24539         0.264808      0.918651     -0.393279
      9.67786      4.03907      2.47519         0.076381     -0.128998      0.034709
     10.00840      8.03189      5.82959         0.058369      0.125538     -0.202778
     10.18597      9.05122      4.85886        -0.038026     -0.233178     -0.070241
     10.26507     10.37931      5.25021        -0.171611      0.065898     -0.144205
      9.91241      8.45268      7.18115         0.004823     -0.284859     -0.104636
      9.98520      9.79145      7.56746         0.178736      0.078745      0.065834
     10.16671     10.74989      6.58112         0.076246      0.093224      0.001712
     10.27343     12.22378      6.67431         0.191110     -0.538295     -0.648149
     10.40684     11.61932      4.43768         0.268112      0.102349     -1.099830
     10.79535     14.08832      4.99560         0.149027     -0.000200     -0.125820
     11.31372     14.41574      3.74010        -0.006491     -0.015072     -0.257845
     11.72270     15.71893      3.43983        -0.056942     -0.055538     -0.012415
     10.74030     15.14969      5.91398        -0.072396     -0.117456     -0.118222
     11.05446     16.48634      5.57740         0.113415     -0.183532     -0.233066
     11.58126     16.85152      4.26696         0.061262      0.124622     -0.198934
     12.03275     18.24926      3.72811        -0.076986     -0.023036      0.155977
     12.54691     18.65066      2.42536         0.095180      0.218758      0.008733
     12.78116     20.01112      2.10628         0.058001     -0.154523      0.085310
     11.92780     19.35234      4.59956        -0.024461      0.089699     -0.180416
     12.17262     20.68858      4.28486        -0.145009      0.080700      0.301994
     12.57817     21.06524      3.00747         0.055594      0.037822      0.143740
     12.91700     17.76848      1.22133        -0.121554      0.476095      0.445696
     10.80136     17.40869      6.75477        -0.031752      0.120235     -0.206545
     10.30405      7.11403     14.62251        -0.057318      0.241198      0.133607
     10.17294      7.53787     15.93718         0.083494      0.322380      0.052027
     10.17899      8.91855     16.26207         0.075443     -0.320484      0.150937
     10.31130      8.06703     13.59896         0.009804     -0.261588     -0.114080
     10.28485      9.42442     13.92190         0.055318      0.275752      0.201409
     10.28176      9.91914     15.26193         0.008262      0.169589     -0.362905
     10.33479      5.63085     14.61211         0.518068     -1.805108     -1.784105
      9.96234      6.29907     16.77853         0.074140     -0.095916      0.149181
     10.36021     11.43988     15.52925         0.098121     -0.167188     -0.124596
     10.32013     12.02311     16.82915         0.134747     -0.117085     -0.056907
     10.51544     13.40565     17.00865         0.050696      0.018703     -0.024572
     10.52168     12.36007     14.44630        -0.016429     -0.392059      0.045531
     10.67542     13.73625     14.62365        -0.071433      0.060176      0.108201
     10.69178     14.24775     15.91865         0.067091     -0.072568     -0.032486
     10.82327     15.66005     16.37691        -0.194449     -0.922256      0.565733
     10.53684     14.27201     18.24881         0.032193      0.074823     -0.463713
     10.67492     16.84790     18.64802        -0.163625     -0.262731      0.060608
     10.19777     16.78486     19.95766        -0.190284     -0.252466      0.066024
      9.98489     17.93337     20.72914         0.017519     -0.196518     -0.168199
     10.98594     18.14941     18.20625         0.076387     -0.092817      0.026288
     10.89568     19.28543     19.04494         0.156886     -0.130089      0.095115
     10.37706     19.24139     20.39770        -0.093536      0.307735      0.221905
     10.18220     20.39732      0.18616        -0.022995     -0.358244     -0.124686
      9.62735     20.30572      1.53048         0.081267      0.177990     -0.095196
      9.48362      0.18948      2.34578        -0.216991     -0.002945      0.137578
     10.55441      0.47418     21.15710         0.018143      0.280517     -0.096805
     10.20969      1.62163      0.62855         0.246534      0.151244      0.024530
      9.69211      1.50813      1.91894         0.061425     -0.003217     -0.092708
      9.06581     19.09403      2.26858        -0.185365      0.190299      0.012526
     11.41769     20.53585     18.38011        -0.088060     -0.195082      0.411556
      7.06650      7.65180     17.50423         0.204093      0.024053      0.007608
      7.12627      8.59635     16.49410        -0.093331     -0.082646     -0.159726
      7.24083      9.96073     16.79458         0.014143      0.008523     -0.095863
      7.15398      8.03337     18.83971         0.242622     -0.163623     -0.301738
      7.19278      9.38990     19.14099         0.118552      0.226179     -0.021564
      7.22921     10.40353     18.14096         0.124014     -0.036629     -0.004464
      6.80816      6.31078     16.92048         0.481136      0.580381     -0.191841
      7.01464      7.85084     15.18715         0.335572      0.161010     -0.331615
      7.25713     11.86539     18.52769        -0.018733     -0.017277      0.019986
      7.39870     12.94250     17.60970        -0.080010     -0.216495     -0.216247
      7.34898     14.26367     18.05661        -0.177913      0.101698     -0.014257
      7.13531     12.22548     19.88904         0.036353     -0.320782     -0.117756
      7.13361     13.54000     20.33512         0.190669      0.218339      0.106659
      7.20067     14.56326     19.40367         0.059859     -0.016867     -0.047931
      7.19236     16.02992     19.58492         0.106325      0.094720     -0.189563
      7.46529     15.56439     17.32767         0.192732      0.217646     -0.780069
      7.58926     18.03274     18.05348         0.239603      0.040922     -0.274266
      8.29311     18.44053     16.91511         0.014433     -0.261606     -0.261508
      8.62566     19.77496     16.70348         0.038728     -0.063755     -0.035283
      7.26928     19.06816     18.95123        -0.153355     -0.166890     -0.029502
      7.44508     20.43463     18.62560         0.142948      0.023095     -0.046169
      8.17042     20.87349     17.45035         0.193381     -0.051635     -0.250325
      8.63463      1.00646     16.95844         0.071622      0.271166     -0.069615
      9.16708      1.35415     15.64483         0.323339     -0.148416      0.194138
      9.56808      2.67579     15.33172         0.141494      0.238302      0.233323
      8.64636      2.12656     17.82621        -0.120420      0.061430      0.216496
      9.09241      3.42186     17.51954        -0.086872      0.284843      0.255017
      9.55905      3.75303     16.23862         0.200691      0.219531      0.229407
      9.57705      0.44161     14.46060        -0.336464     -0.692057     -0.475660
      6.88514      0.09544     19.68404         0.059870      0.012319     -0.233975
      6.96549     10.87359      6.11641         0.010086     -0.012894     -0.024257
      6.80496     11.32488      7.41644         0.038193     -0.090956      0.056903
      6.91345     12.68265      7.73057        -0.026501      0.167278      0.101345
      7.28685     11.75386      5.09482        -0.064350     -0.060261     -0.028417
      7.40644     13.10526      5.41074        -0.089124      0.285177      0.035485
      7.19826     13.63576      6.71465        -0.100936     -0.115179     -0.057450
      6.92590      9.39752      6.09477        -0.210676      0.154014      0.692175
      6.66968     10.10840      8.29039         0.045093     -0.134934     -0.396264
      7.29606     15.12746      6.94980        -0.052019      0.033862     -0.072609
      7.09043     15.77071      8.19719         0.031058     -0.108169     -0.000014
      7.21497     17.16525      8.30886        -0.002874     -0.039289      0.213668
      7.62873     15.98016      5.86328        -0.157390     -0.226296      0.004591
      7.65291     17.36343      5.95667        -0.100882      0.171718      0.094598
      7.44848     17.95923      7.20186        -0.005438      0.033930     -0.012268
      7.67539     19.36954      7.63424        -0.212747     -0.313318      0.763371
      7.29567     18.04643      9.52928         0.210677      0.570609     -1.208304
      7.62711     20.58915      9.92522        -0.206100     -0.135444      0.075403
      7.14701     20.56583     11.24116        -0.077679     -0.303408      0.105873
      6.98955      0.46557     12.01350         0.121014     -0.028770      0.027917
      8.02527      0.61066      9.51666         0.073953     -0.096203      0.035955
      8.07035      1.72987     10.39217         0.025116     -0.108973      0.024592
      7.51138      1.75350     11.71814         0.079183      0.027036      0.294999
      7.43885      2.94592     12.77367         0.081045     -0.218714     -0.318767
      6.88856      2.86797     14.11588         0.394868      0.550965     -0.125169
      6.76632      4.01070     14.94180        -0.323221      0.163830      0.180276
      7.89874      4.27374     12.51037        -0.173800      0.345493      0.147527
      7.64977      5.42816     13.29998         0.299393     -0.171573     -0.082100
      7.07974      5.33204     14.57067        -0.029945     -0.339056     -0.042142
      6.24074      1.68349     14.78107        -0.808521     -0.311150      0.666257
      8.80606      2.88034      9.78031        -0.157654      0.055550      0.474584
      4.07375     11.49954     10.74801         0.119430     -0.067889     -0.117871
      3.80744     12.36455      9.70089         0.083257      0.035801     -0.195549
      3.85277     13.74419      9.86988         0.155499      0.095682     -0.019894
      4.40969     11.99129     11.99931         0.088622     -0.072497     -0.174482
      4.45695     13.37266     12.17610         0.135318      0.320806     -0.064729
      4.19272     14.29769     11.12741         0.113839     -0.043839     -0.049045
      3.84603     10.10838     10.30247         0.003904      0.216578     -0.399312
      3.41904     11.55276      8.50956         0.263978     -0.322405      0.543655
      4.28350     15.78754     11.33849        -0.012804      0.120812     -0.214917
      4.07524     16.73870     10.29881        -0.089524     -0.088799     -0.153638
      4.12646     18.11462     10.57114        -0.014359      0.014344     -0.256811
      4.64784     16.30384     12.60079         0.110997     -0.232451      0.018731
      4.76514     17.66369     12.85842         0.095242      0.185831     -0.094991
      4.41362     18.56085     11.84997         0.097766      0.064312      0.191811
      4.32029     20.03248     11.87750         0.130348      0.521408      0.232796
      4.11228     19.34094      9.68568         0.119119      0.269765     -1.494917
      4.41872      0.64404     10.14402        -0.039619      0.246584     -0.273984
      4.79474      0.97612      8.83788         0.019723     -0.366077     -0.168449
      5.19736      2.26918      8.48736         0.106614     -0.019473      0.040581
      4.34771      1.76503     10.99754        -0.036526     -0.078372     -0.086998
      4.70640      3.10366     10.63817         0.264410     -0.330466     -0.273428
      5.29720      3.40582      9.33595         0.165323      0.080948     -0.321959
      5.93510      4.77806      8.74650        -0.109598     -0.060769      0.341473
      6.47083      5.08617      7.43399        -0.241677      0.119573      0.163207
      6.73563      6.42463      7.00346        -0.030171     -0.154102      0.141200
      5.88896      5.94380      9.52975         0.005798      0.234683      0.170431
      6.17697      7.25423      9.13592         0.064616     -0.311073      0.217574
      6.55231      7.54910      7.82851         0.133667      0.217777      0.283656
      6.56553      4.05116      6.33211         0.167845      0.055228      0.325127
      4.43205      4.02399     11.82780        -0.032545      0.442966     -0.188680
      1.06884     14.30267      0.82722        -0.196382     -0.030706     -0.136245
      1.65050     14.72011      2.01164         0.123084      0.199558      0.134436
      1.65287     16.10794      2.33360        -0.046049     -0.293494     -0.122755
      0.62933     15.20313     21.11959         0.069517     -0.288043      0.093260
      0.69953     16.55183      0.15316        -0.073790      0.132738     -0.091387
      1.12530     17.05995      1.40399        -0.169268      0.003129      0.088580
      1.03656     12.83101      0.76764        -0.325162     -0.370245     -0.318623
      2.28127     13.44896      2.62667        -1.295568      0.447803     -1.655065
      0.98113     18.56312      1.60710        -0.016730     -0.099866     -0.182183
      1.33482     19.26181      2.78550         0.103789     -0.133071      0.020268
      1.17059     20.64795      2.83946        -0.016498      0.191155     -0.009809
      0.49102     19.36219      0.52614         0.145579     -0.581819      0.099914
      0.32161     20.73189      0.58865        -0.108090      0.157753     -0.111119
      0.64082      0.10123      1.77300         0.071990      0.272565      0.267953
      0.62191      1.54827      2.08095         0.362262     -0.476388      0.562776
      1.59792      0.38567      3.87375        -0.430893      0.182124     -0.848641
      1.41107      2.95561      4.04812        -0.035199     -0.218129      0.010372
      1.96724      2.95969      5.31521         0.259423     -0.225425      0.332759
      2.10656      4.13003      6.05180        -0.042378     -0.172030     -0.379502
      0.98967      4.21273      3.59326        -0.030166      0.048333      0.130584
      1.14787      5.39140      4.36114        -0.144253      0.089734     -0.039436
      1.78878      5.45458      5.64751        -0.046031     -0.049530     -0.020361
      2.13371      6.71120      6.50220        -0.205379      0.001783     -0.317226
      2.60452      6.66237      7.84035         0.076802      0.076677      0.140325
      3.10037      7.75057      8.57824         0.083411      0.133370      0.024597
      2.08700      8.07240      6.07365         0.013511      0.231911     -0.221450
      2.56101      9.18306      6.79363        -0.075466     -0.070925      0.025785
      3.09323      9.05482      8.08720        -0.036013      0.015037      0.037999
      2.85239      5.39029      8.55698         0.336535     -0.045634      0.171962
      0.46915      6.57176      3.71807        -0.080223     -0.183054      0.232303
      4.69934     14.09141      0.68057        -0.047514      0.298528      0.142135
      4.04825     14.99750     -0.14789         0.073077      0.023330      0.013235
      4.04190     16.38525      0.17178        -0.023081     -0.040297     -0.090084
      5.39720     14.54571      1.79777        -0.143115     -0.241136      0.036354
      5.40573     15.90563      2.09129         0.002496      0.314184      0.182099
      4.71386     16.89344      1.33108         0.044820     -0.004685      0.097258
      4.53758     12.70583      0.17577        -0.073958     -0.119335      0.083441
      3.47134     14.15489     19.96902         0.131065     -0.109448      0.553143
      4.75968     18.37375      1.81522         0.033372     -0.368312     -0.132088
      4.11491     19.47399      1.18508         0.021753      0.038890     -0.115582
      4.27763     20.78846      1.67145        -0.001853      0.173680     -0.027668
      5.53205     18.70623      2.96524        -0.104368     -0.408533     -0.126668
      5.70273     19.99855      3.44378        -0.132741      0.331019      0.074877
      5.06460     21.04258      2.78373         0.031449     -0.029999      0.044531
      5.11869      1.24590      3.06278        -0.516676     -0.253265     -0.744489
      3.78163      0.87943      1.18716         0.322505     -0.056265      0.314226
      3.98602      3.33933      2.05495        -0.127172     -0.081026     -0.001511
      3.07719      3.92756      1.16083        -0.139389     -0.397792     -0.239577
      2.76253      5.30341      1.15856         0.194525     -0.365928     -0.161599
      4.45700      4.26208      3.00005        -0.054274      0.237457     -0.274782
      4.19913      5.65269      2.91412        -0.192193      0.128909     -0.492488
      3.39213      6.32423      1.94082         0.136325      0.398454     -0.075475
      3.16126      7.97293      1.84695         0.003109      0.109116      0.075871
      2.20098      8.58114      0.97733        -0.288251     -0.208784     -0.170411
      1.85756      9.94736      0.93050        -0.061799     -0.176993      0.293281
      3.72317      9.04147      2.66681         0.422739     -0.596112     -0.178346
      3.29379     10.37975      2.72372         0.307782      0.585502      0.172474
      2.33409     10.89811      1.84152        -0.224793      0.330609     -0.188549
      1.39044      7.74250      0.02443        -0.442203      0.052623      0.405229
      4.87268      6.43516      3.96550        -0.180378      0.162224     -0.019415
     18.16590     17.32387     13.52281         0.000399      0.034145      0.127022
     19.20521     17.80508     14.30755        -0.098688      0.023338      0.171153
     19.46757     19.17643     14.41211        -0.088430      0.036695      0.142291
     17.38229     18.20994     12.79138         0.050275     -0.186235     -0.031379
     17.62762     19.57830     12.91627         0.008890      0.276310      0.070769
     18.65450     20.12548     13.73831        -0.190204     -0.082406      0.073189
     18.11294     15.83865     13.63060         0.617918      0.644604      0.386740
     19.87609     16.62329     14.93967         0.522000     -0.043801      0.331272
     18.77923      0.36522     13.95759        -0.200805      0.031616      0.113503
     19.77157      0.95957     14.78330        -0.027667     -0.233812      0.102664
     19.71788      2.31900     15.10798         0.055778      0.005604      0.108760
     17.79690      1.25462     13.44570         0.014091     -0.222657     -0.059104
     17.78639      2.62524     13.70721         0.092484      0.149041      0.049633
     18.76067      3.15474     14.55148        -0.159285     -0.005315      0.058664
     18.96633      4.54313     15.05538         0.583474     -0.541922      0.397584
     20.50981      3.13194     16.09498         0.268490      0.173301      0.406336
     20.64513      5.65504     16.64861         0.123412     -0.175009     -0.069600
      0.69384      5.61440     17.13788         0.322409      0.242459      0.042684
      1.37358      6.79268     17.50666        -1.168277     -0.073031      0.011362
     20.04555      6.91902     16.72379        -0.684821      0.086067     -0.172799
     20.63780      8.04268     17.35018         0.245825     -0.174875     -0.005196
      0.77314      8.05967     17.74006         0.565132     -0.222649      0.322422
      1.66674      9.19830     18.38501         0.075087      0.130411      0.235347
      3.00180      9.10766     18.97903        -0.277988     -0.151293     -0.283740
      3.67068     10.23130     19.58508        -0.628989     -0.333064     -0.435061
      1.15524     10.49949     18.58635         0.027010      0.488169      0.078689
      1.85827     11.61981     19.09188        -0.833651     -0.056223     -0.183775
      3.13660     11.53048     19.62026        -0.137236      0.508610      0.193621
      4.00675      7.92588     18.86588         0.071160      1.009220      0.210990
     19.63443      9.15419     17.55751         0.228334      0.213795      0.177500
      2.01476     18.17341     14.11383        -0.020399     -0.058922     -0.221793
      1.28354     19.11275     13.40057        -0.259218      0.056986      0.038251
      1.35395     20.46514     13.72682         0.261866      0.232627      0.107405
      2.96051     18.57694     15.05441        -0.268808     -0.007873      0.047123
      3.12375     19.94367     15.29283        -0.101209      0.289532      0.125217
      2.26338     20.93120     14.71027         0.287844     -0.205179      0.075431
      1.70239     16.81893     13.59394        -0.573347      1.117041     -0.101650
      0.46694     18.39998     12.35945         0.298715     -0.298419      0.508383
      2.42386      1.13870     15.01502         0.011068      0.135797     -0.002170
      1.76905      2.15260     14.26925        -0.234011     -0.143968     -0.100545
      2.05208      3.49963     14.49315        -0.252760      0.110892     -0.121718
      3.31860      1.58691     16.01327        -0.154521     -0.145180      0.091273
      3.65448      2.93536     16.18795        -0.328919      0.238683      0.137167
      3.03607      3.88959     15.38720        -0.055928     -0.090999      0.309677
      3.19061      5.36683     15.31542        -0.616773     -0.364665     -0.247463
      1.42274      4.74068     13.95680        -1.595449      0.224831     -1.306396
      1.66264      7.25476     14.50609        -0.204209      0.242402     -0.062494
      0.37565      7.54398     14.04819        -0.283312      0.028181     -0.123926
     21.07226      8.81963     14.13304        -0.045987      0.089147      0.062153
      2.34340      8.37747     15.05007        -0.120662     -0.114334     -0.145077
      1.79168      9.69366     15.08767        -0.194131     -0.311015     -0.224556
      0.43678      9.98927     14.62204        -0.115121      0.195931     -0.077967
     20.89591     11.35103     14.59655         0.087932     -0.220309      0.072269
     19.53803     11.64326     14.14303        -0.103423      0.281495      0.014556
     19.02867     12.96359     14.09623        -0.068992     -0.032042      0.120192
      0.29006     12.54227     14.97187        -0.048549      0.020176     -0.016227
     -0.25853     13.82422     15.04569         0.148909      0.063584      0.017183
     19.70963     14.08687     14.58745         0.230131      0.044418      0.023066
     18.48342     10.68448     13.58316         0.361721      0.431048      0.181553
      2.79668     10.69589     15.62912         0.008861     -0.032019     -0.223736
     16.09166      0.42146      5.21861         0.070390     -0.041458      0.027457
     16.88219      0.86921      6.26505         0.073613     -0.080538      0.026103
     16.97202      2.23604      6.56431        -0.005302      0.053550      0.217206
     15.30681      1.31052      4.51251         0.060607     -0.109688     -0.157497
     15.36748      2.66308      4.83101         0.123591      0.262694      0.028348
     16.22000      3.19193      5.82658        -0.080418     -0.014159     -0.016975
     16.35149     20.24454      4.95959         0.296572      0.170031      0.273543
     17.57461     20.91368      6.82207         0.010704      0.061233     -0.100422
     16.27321      4.69398      6.04270        -0.067931     -0.018840      0.070524
     17.10781      5.31932      7.00158        -0.160607     -0.101408      0.081811
     17.04764      6.70300      7.20692         0.003140      0.001142      0.274978
     15.42436      5.56749      5.30693         0.020536     -0.365819      0.023928
     15.40806      6.94617      5.48178         0.025346      0.122022      0.038315
     16.24017      7.51556      6.43232        -0.028578      0.131472      0.082162
     16.41011      8.93572      6.84577         0.485729     -0.469128      0.520071
     17.63672      7.56390      8.28829        -0.551536      0.444025     -0.686085
     17.76189     10.12414      8.66360         0.027075     -0.151772     -0.000607
     18.80639     10.01690      9.57349         0.271845     -0.146119      0.131003
     19.41755     11.14221     10.13123        -0.188553     -0.166892     -0.013164
     17.33183     11.44358      8.42567         0.008412     -0.008365      0.162838
     17.84371     12.56266      9.13274        -0.027087     -0.114089     -0.131292
     18.97056     12.47252     10.04215         0.060047      0.176332      0.129279
     19.74342     13.58522     10.81983        -0.007509     -0.215096      0.012906
     21.01511     13.45636     11.53616        -0.343011      0.344046     -0.163437
      0.40776     14.58643     12.06351         0.045839     -0.083849      0.047384
     19.26358     14.91970     10.87431         0.086213      0.221269      0.048269
     19.97610     16.04636     11.33561        -0.184083      0.037261      0.021539
     21.21528     15.90186     11.95903        -0.046362      0.067759      0.065006
      0.68604     12.25899     11.69596         0.130100      0.208202      0.015917
     17.07721     13.82563      8.78813         0.457621     -0.205214      0.073317
     20.40416      1.31700      6.10785        -0.258565     -0.123824     -0.221717
     19.83457      2.36399      5.38814        -0.098501      0.086572     -0.063506
     19.85255      3.67018      5.84665        -0.023570     -0.091342      0.157568
     20.90850      1.54988      7.37843        -0.004230      0.018415      0.049080
     20.90145      2.86112      7.85971        -0.063544      0.288152      0.173774
     20.41474      3.96989      7.11211        -0.195319     -0.215447     -0.072984
     20.21308      0.06036      5.32169        -0.349047      0.647954     -0.124510
     19.12752      1.80365      4.19187         0.557748     -0.480575      0.580737
     20.49373      5.38773      7.58279        -0.201202      0.165632     -0.131160
     20.11518      6.43913      6.72316        -0.208054     -0.190350      0.077211
     20.38388      7.76121      7.05216        -0.224180      0.182579     -0.140899
     -0.25779      5.76692      8.83740        -0.086085     -0.161859      0.235025
      0.10822      7.08098      9.13523        -0.075439      0.120719      0.322474
     21.07140      8.07172      8.20655         0.069791      0.367908      0.324708
      0.10125      9.53506      8.22275        -1.574284     -1.273129     -1.581108
     20.05899      9.03491      6.33891        -0.098949      0.314380      0.156179
     20.44629     11.51631      6.86791        -0.132303     -0.147029     -0.064207
     19.55714     11.91911      5.87298        -0.223354      0.010975     -0.250877
     19.21858     13.25660      5.66100         0.052293     -0.062560      0.042601
     20.99464     12.57130      7.62022         0.077079     -0.084445     -0.139261
     20.72358     13.92815      7.34095        -0.156675      0.002410     -0.298535
     19.76090     14.37314      6.34985        -0.160032      0.088022     -0.304139
     19.23408     15.81884      6.04986         0.189284     -0.151965      0.022461
     18.37867     16.24572      4.96529         0.112650      0.287881      0.011829
     17.86141     17.56451      4.87836         0.085000      0.093554      0.064334
     19.50658     16.90756      6.92215        -0.043394      0.092187     -0.016878
     18.91065     18.17141      6.89957         0.159773     -0.024807      0.173277
     18.01877     18.53150      5.88873         0.056091     -0.008167      0.109000
     17.80523     15.35339      3.87910         0.317286      0.110096      0.082499
      0.34654     14.85788      8.12352        -0.167117     -0.000827     -0.185127
     12.59031      5.24947      4.06144        -0.000470     -0.005622      0.214800
     13.01521      3.73948     20.59003         0.199753      0.071829     -0.084371
     12.93419      6.12777     21.10300        -0.006633      0.014996      0.000710
     12.66927      7.46515      4.40396         0.065878     -0.142287      0.220140
     13.19487      7.91392      0.12718         0.009513      0.010361      0.074294
     13.52100     10.31886      0.40847         0.077383      0.018284     -0.142517
     13.13885     13.52924      8.53128         0.078399     -0.056782      0.284638
     13.14335     11.66857      7.07257         0.104954      0.163700      0.169483
     14.28348     14.19306      3.82786        -0.015610     -0.077200      0.102442
     12.94826     17.16809     11.43414         0.025389     -0.099163     -0.034722
     14.83934     17.66405      6.98265         0.145813     -0.145547      0.083034
     14.77585     19.54287      8.40593         0.095227     -0.277125      0.071108
     10.06673      6.86760      3.29048        -0.175828      0.118437     -0.272977
      9.59612      3.49162      6.88612         0.170411      0.013266      0.060276
      9.67334      5.86300      7.48793         0.196183      0.045017     -0.011628
     10.26764      8.79552      3.80727        -0.086423      0.065967     -0.166295
      9.73837      7.71600      7.96503         0.079531     -0.009413     -0.002070
      9.91771     10.07561      8.61794        -0.051915     -0.000837      0.036628
     12.24537     15.81399      2.49778        -0.173621     -0.019008      0.037615
     11.46826     13.63303      2.99782        -0.014586      0.157504     -0.019890
     10.48076     14.91495      6.94240        -0.147408      0.102570     -0.119197
     13.09262     20.24063      1.09290         0.119237      0.046422      0.151857
     11.61521     19.19842      5.61760         0.058911      0.096298     -0.128107
     11.98906      0.19018      5.04084         0.045296     -0.105424      0.067031
     10.04900      9.21393     17.29508         0.097067     -0.018791      0.382005
     10.25336      7.75819     12.55309         0.199338     -0.002027      0.017377
     10.23623     10.12709     13.08809         0.060706     -0.043818      0.043916
     10.09648     11.39675     17.68648         0.161422     -0.086598      0.272954
     10.52476     12.00145     13.41391         0.033526     -0.033130      0.119094
     10.75879     14.40597     13.76972         0.079246      0.003928     -0.121436
      9.49753     17.73555      0.40559        -0.020402     -0.026664      0.070180
      9.97106     15.80498     20.38441        -0.116207      0.218572      0.048109
     11.24971     18.29939     17.16206         0.232615     -0.012184      0.150135
      9.21653      0.05735      3.38681        -0.217769     -0.032498     -0.074957
     11.18402      0.70873     20.30961        -0.228296     -0.184025      0.045366
     10.41889      2.62222      0.23517         0.102233     -0.298784     -0.103776
      7.39330     10.67635     15.99476        -0.257963      0.137626     -0.272400
      7.08904      7.28405     19.62209         0.162402     -0.053591      0.108382
      7.13213      9.64995     20.19922         0.192732      0.062097     -0.079470
      7.57617     12.74454     16.55693        -0.132737      0.025201     -0.217214
      6.97911     11.45984     20.64469         0.171477     -0.029457      0.004543
      7.06952     13.75421      0.13840         0.108638      0.017354      0.006467
      9.35852     19.94856     15.92915        -0.158346     -0.167218      0.059646
      8.66006     17.69065     16.21167        -0.007034      0.190734      0.041928
      6.94555     18.80139     19.95887        -0.330395      0.118901     -0.289322
      9.83311      2.85794     14.30431         0.393265      0.183379     -0.160442
      8.32723      1.99675     18.86430         0.039328      0.057548     -0.409163
      9.03155      4.20869     18.28442         0.039415     -0.388627     -0.123713
      6.81263     13.00015      8.76316        -0.046436      0.031892      0.225563
      7.50716     11.38336      4.09153        -0.111076      0.060988     -0.029773
      7.72841     13.76227      4.60472        -0.139707      0.053590     -0.026759
      6.87501     15.18590      9.08298        -0.019712     -0.130749      0.292238
      7.95734     15.54938      4.91821        -0.211605      0.026117     -0.048842
      7.96829     17.95072      5.10069        -0.107949      0.122575     -0.068250
      6.37030      0.29878     12.88099         0.304271      0.055286      0.038437
      6.84060     19.59321     11.63623        -0.071370      0.311988      0.192337
      8.27584      0.76559      8.47786         0.328374     -0.029019     -0.130051
      6.37724      3.90455     15.94810         0.009261     -0.185978     -0.099794
      8.45005      4.53157     11.61222        -0.169494     -0.304916      0.158678
      7.90501      6.42039     12.92103         0.167800     -0.212461     -0.168516
      3.58335     14.38493      9.04223         0.031765      0.131281     -0.278589
      4.58101     11.30936     12.82351         0.131122     -0.043645      0.092621
      4.68641     13.73318     13.17754         0.040011      0.039673      0.007440
      3.88421     16.39216      9.28633        -0.073759      0.081609     -0.171051
      4.81386     15.61396     13.42585         0.209695      0.054091     -0.004460
      5.15892     18.00332     13.81633        -0.145558      0.066900     -0.030323
      5.46455      2.33187      7.44135         0.010739      0.035607      0.320240
      4.83200      0.17571      8.09193        -0.033080      0.312157     -0.057939
      4.09686      1.59821     12.03600        -0.286684     -0.065735     -0.053006
      7.00937      6.60780      5.96906         0.173471     -0.216341      0.141040
      5.49309      5.89343     10.52593         0.197758      0.000774     -0.037027
      6.06916      8.05315      9.86197        -0.086770     -0.045230      0.127461
      2.08596     16.45615      3.26570         0.048791     -0.029528      0.264796
      0.33300     14.86127     20.13070        -0.229592     -0.049443     -0.018058
      0.42871     17.24144     20.61405        -0.104622     -0.169575      0.059990
      1.79389     18.74907      3.62426        -0.011944     -0.117234      0.244135
      0.27102     18.90556     20.82744        -0.102194     -0.048414     -0.063886
      0.00527      0.05151     20.98342        -0.132538      0.013555     -0.108129
      2.48256      3.87069      7.00660         0.107554      0.121810      0.067317
      2.29629      2.00695      5.75021        -0.102049      0.447297      0.049664
      0.51414      4.29133      2.62603        -0.127965     -0.047201      0.004792
      3.51907      7.58064      9.56455        -0.276553      0.045275     -0.074226
      1.67589      8.36591      5.11131         0.126464     -0.293985      0.115909
      2.46993     10.18755      6.38617        -0.053256     -0.109840     -0.290201
      3.47944     17.07114     20.80189         0.011289      0.058385     -0.215004
      5.90355     13.82863      2.44938         0.017570      0.081092     -0.006501
      5.98202     16.19717      2.97311        -0.143810      0.005431     -0.095425
      3.48393     19.31019      0.31997        -0.083188      0.010348     -0.303501
      6.09098     17.93400      3.49007        -0.133671     -0.038786      0.007277
      6.35160     20.20449      4.29215         0.028927     -0.038219      0.160620
      1.91147      5.45262      0.52356         0.126290      0.306363     -0.179309
      2.51781      3.25137      0.49772         0.109672      0.498105      0.029929
      4.98316      3.91266      3.86440         0.435061     -0.133635      0.174077
      1.17977     10.25843      0.15760        -0.397430      0.039132     -0.128842
      4.56280      8.88800      3.34617        -0.204174     -0.151930     -0.416109
      3.77982     11.07541      3.43493        -0.106145     -0.513063     -0.275942
     20.30321     19.50235     15.01770         0.127162      0.066044      0.298665
     16.62001     17.82925     12.11014        -0.156269      0.088676      0.062028
     16.95910     20.23502     12.36125         0.090986      0.103585     -0.069719
     20.58178      0.35350     15.17228         0.098284     -0.120947      0.310995
     16.98460      0.86679     12.83362        -0.013981     -0.035462     -0.049744
     17.00841      3.25825     13.28489        -0.054633      0.079328     -0.048914
      2.42952      6.67250     17.57221         0.206648      0.015576      0.237021
      1.22362      4.66437     17.15998         0.138542      0.063250     -0.032060
     19.06824      7.07761     16.24521         0.291435     -0.226664      0.439302
      4.60176     10.03796     20.06829         0.589270     -0.038760      0.179360
      0.12140     10.71634     18.34439         0.177289      0.014419     -0.125477
      1.34759     12.58779     19.09773        -0.036060     -0.301389     -0.078295
      0.76021     21.18979     13.19018        -0.314431      0.104441     -0.293597
      3.58071     17.83294     15.55837         0.006236      0.076595      0.022140
      4.00578     20.23319     15.88460        -0.485459      0.062988      0.036170
      1.02831      1.87513     13.52471        -0.090216      0.126028     -0.185922
      3.88285      0.84852     16.58881        -0.257631      0.149748      0.132137
      4.41532      3.22472     16.90807        -0.132281      0.042192      0.145814
     20.04173      8.86413     13.80711         0.074823     -0.003374      0.004351
     21.02125      6.73221     13.66676        -0.081862      0.093601     -0.118765
      3.30140      8.21529     15.54257        -0.011720      0.082395     -0.316631
     18.08266     13.12454     13.58847        -0.027709     -0.019702      0.290957
      1.35191     12.52573     15.13592        -0.038967      0.029557      0.161937
      0.38031     14.64172     15.36108         0.105473     -0.025358      0.092668
     17.66208      2.56595      7.33158         0.080836      0.005745      0.318663
     14.68372      0.94093      3.70566         0.100777      0.037730     -0.033512
     14.73714      3.33954      4.26057         0.148412      0.003986     -0.016120
     17.81029      4.72905      7.57317         0.061142     -0.153630      0.361964
     14.72550      5.16297      4.57816         0.075031     -0.048766     -0.020686
     14.71640      7.56931      4.92941         0.033383      0.042910     -0.189340
     20.31981     10.91004     10.65988        -0.074291      0.019275      0.185597
     19.18563      9.01994      9.80351         0.100870      0.231390      0.137371
     16.60145     11.61842      7.64555        -0.182655     -0.003508      0.131119
      1.32495     14.43782     12.60835         0.145373     -0.055738     -0.034477
     18.27120     15.16727     10.51226         0.097198     -0.199735     -0.058891
     19.58820     17.05257     11.16822        -0.233643     -0.187625      0.039320
     19.38665      4.42370      5.22784        -0.107454      0.247777     -0.162214
     21.25431      0.72299      7.99569         0.152917     -0.010745      0.057273
      0.05503      3.03024      8.85202        -0.065126     -0.001950      0.075980
     19.66498      6.21624      5.77092        -0.285626     -0.014837     -0.015381
     -0.05670      4.99543      9.57126        -0.099158      0.046088      0.225266
      0.64126      7.30821     10.06590        -0.249030      0.014070     -0.071671
     18.44871     13.36034      4.91181         0.105306      0.158087      0.125138
     19.07625     11.13975      5.28580        -0.070985      0.269870     -0.154085
      0.38222     12.34524      8.45889         0.162612     -0.000665     -0.191217
     17.19039     17.79974      4.06015         0.137990     -0.029217     -0.074513
     20.20271     16.79909      7.73268        -0.049534     -0.076301     -0.038292
     19.15484     18.89668      7.67764         0.061522     -0.225952     -0.015880
     13.93677     19.30857     10.78037        -0.111518     -0.167078     -0.121719
     18.93585     21.00273      3.61413         0.221214      0.045606     -0.081707
     12.74933      1.19608      2.65816         0.041068      0.251779     -0.112808
     13.64293     11.59722      4.45245        -0.017638     -0.446984     -0.038889
      9.54860      2.62509      2.80942         0.069830      0.248270      0.049942
     10.48958     12.72374      5.34109        -0.003114     -0.036105      0.118101
      9.94166      5.13749     15.90050         0.074779      0.380611     -0.167046
     10.70389     15.65058     17.80860         0.127344      0.207987      0.058533
      6.92104      6.43475     15.49255         0.187677      0.244764     -0.108483
      7.36987     16.62800     18.29681        -0.045422     -0.248134      0.177694
      6.69506      8.93899      7.42919         0.009939      0.215194     -0.213323
      7.57944     19.40290      9.07672        -0.162992     -0.170841     -0.014029
      3.49604     10.15858      8.90100         0.037924      0.405425     -0.164797
      4.18600     20.52044     10.53713         0.020006     -0.407585      0.255888
      1.92837     12.31455      1.74254         0.194090     -0.147369      0.580072
      1.22278      1.71030      3.37208        -0.023818     -0.255757     -0.212060
      3.72058     12.72998     20.28664        -0.137137      0.107281     -0.304825
      4.26158      1.90366      2.10995         0.004007     -0.053425     -0.128016
     19.22119     15.43748     14.45534        -0.047445      0.120383      0.049177
     20.04086      4.49702     16.01193        -0.064247     -0.184024     -0.137863
      0.69815     16.98393     12.56373        -0.065905     -0.038543     -0.034631
      2.11408      5.87862     14.50670         0.196652     -0.086968      0.213714
     17.33613     19.80850      5.90628         0.016640      0.145473     -0.127572
     17.27886      8.94344      7.98582        -0.108365     -0.133600     -0.144150
     19.41554      0.42034      4.20672         0.114340      0.516450      0.338747
     20.67956     10.11128      7.08598        -0.064043     -0.056434      0.118865
     12.39094      2.28274      4.73879        -0.045369      0.016834     -0.195043
     13.46507      1.02369      0.41356         0.334983     -0.516347     -0.623922
     13.26434      9.85978      6.03556        -0.155934     -0.183441      0.327356
     13.80438     12.57730      2.31130         0.323326      1.545596     -0.995030
      9.72338      4.49314      1.34428        -0.065190     -0.067011     -0.037392
      9.30398      1.50087      4.88420        -0.150708     -1.103377      0.448827
     10.44887     11.68749      3.20222        -0.098592      0.000283      0.869361
     10.19168     12.88401      7.67917        -0.102437      0.795359      0.947731
      9.83416      6.26977     17.98785        -0.009415     -0.096752      0.368647
     10.69372      4.91131     13.65521        -0.519486      1.028271      1.362686
     10.42315     13.89954     19.39817         0.057585     -0.060504      0.418891
     10.96590     16.63173     15.67595         0.207806      1.004852     -0.544452
      7.03605      8.33223     14.06314        -0.070059     -0.225820      0.130354
      6.56603      5.30745     17.54765        -0.166871     -0.973471      0.364563
      7.64588     15.71941     16.12161        -0.219931     -0.066400      0.400279
      7.07886     16.63759     20.63201        -0.068998      0.318037      0.424066
      6.60560     10.09683      9.50282         0.083381     -0.018902      0.538986
      7.10929      8.68852      5.13252         0.095514     -0.582739     -0.780953
      7.19181     17.70776     10.67817        -0.004306     -0.454192      1.310679
      7.93253     20.32045      6.93721         0.030379      0.838589     -0.591210
      3.10273     11.96391      7.41451        -0.141460      0.187821     -0.680865
      3.92148      9.10645     10.98004         0.001373     -0.639434      0.373372
      4.15048     19.36961      8.44831        -0.224657     -0.137485      1.270881
      4.33874     20.73679     12.87915         0.026171     -0.233477     -0.389547
      2.96146     13.38694      3.59859         1.219837     -0.376916      1.787227
      0.30678     12.18931      0.02204         0.016252     -0.092696      0.071828
      2.17572      0.14736      4.90426         0.563411     -0.124699      0.824896
      0.20284      2.44025      1.38229        -0.416371      0.772898     -0.550961
      2.92882     14.55487     18.96816        -0.354307      0.096225     -0.658036
      5.03798     11.70764      0.66953         0.167440     -0.514969      0.223445
      3.11891      1.10559      0.20052        -0.407628      0.134333     -0.625613
      5.78348      1.79302      3.90493         0.651377      0.556269      0.819114
     -0.42871     16.64907     15.71614        -0.455938     -0.005075     -0.236932
     17.30296     15.10621     13.12170        -0.874325     -0.759492     -0.368586
      0.10147      2.73305     16.87988        -0.249205      0.021607     -0.149682
     18.37238      5.54173     14.73152        -0.649645      0.913146     -0.351357
     21.01721     18.89114     11.50331        -0.208916      0.010235     -0.307169
      2.19770     15.78532     13.97348         0.260953     -1.082932      0.252161
      0.43290      4.79579     13.19427         1.401690     -0.122420      1.002151
      4.05152      6.04131     15.83002         0.564311      0.616322      0.348981
     18.19637     20.84544      7.86350         0.275711     -0.051996      0.340957
     15.86915     19.57007      4.07422        -0.225894     -0.457766     -0.550500
     18.21281      7.19005      9.27737         0.487181     -0.376776      1.016094
     15.93943      9.92302      6.33433        -0.232026      0.804128     -0.547925
     18.41302      2.37161      3.39972        -0.529291      0.443406     -0.728222
     20.64331     20.20752      5.52707         0.265246     -0.880370      0.247249
     19.35175      9.17802      5.35287         0.001360     -0.161781      0.082183
      0.75389     10.12979      9.01864         1.050687      1.228620      1.553411
     13.91210     17.51628      5.29603        -0.006089      0.075324     -0.076503
     15.82552     16.54679      5.59664         0.200965      0.132449      0.082445
     14.69719     16.24791      3.73840         0.063394      0.071795     -0.299033
     11.98251     15.38441     11.43880        -0.167086     -0.232529      0.057291
     11.42257     14.60267      9.49033         0.009590     -0.107295     -0.004487
     13.27694     13.92010     10.49233        -0.021945     -0.202168      0.087281
     11.90620     18.02150      7.25322         0.218038      0.030540      0.138979
      9.96150     18.43642      6.42381        -0.062332      0.201140     -0.006382
     10.22508     16.77491      7.81859         0.038167      0.116938      0.033288
     13.13083     18.50171      0.08522         0.179806     -0.163141     -0.066205
     14.04831     17.04396      1.41432         0.201260     -0.120215      0.011103
     11.93414     16.89355      0.89851        -0.130108     -0.492034     -0.196359
     10.55601      0.32279     18.52082         0.139067      0.227085     -0.316875
     12.60222     -0.31034     18.91788         0.383005      0.004281      0.097223
     11.62082     20.40172     17.05089         0.261311     -0.037792     -0.277764
      8.82620     19.37035      3.59638        -0.135836     -0.211577     -0.171907
      7.85990     18.73379      1.72679        -0.037353     -0.023122     -0.256904
      9.79021     17.94384      2.30931         0.080432     -0.066916     -0.114710
      7.87267      0.75460     20.36331        -0.089594      0.183619      0.257931
      6.05626      1.04445     19.16413        -0.116929      0.168684     -0.135026
      6.16285     20.70667     20.64394        -0.058261     -0.010799     -0.020149
      9.61892      1.10651     13.26063         0.215217      0.016111      0.388390
     10.84556     21.21522     14.63784         0.061574      0.040927      0.180485
      8.80327     20.57699     14.16722         0.482426      0.657279      0.052318
      8.08887      4.04763      9.78758         0.275845      0.116444     -0.280679
      9.97792      3.15735     10.42670         0.250992     -0.017816      0.150407
      9.11797      2.66029      8.48927         0.450232     -0.120218     -0.232651
      6.03055      1.90637     16.14390         0.231417     -0.183283     -0.666640
      5.02723      1.46888     14.19257         0.172165      0.068992      0.280024
      6.77814      0.43945     14.79057         0.603891     -0.021493     -0.065248
      5.36577      4.99131     12.03940        -0.124164      0.186071      0.060604
      3.22493      4.68966     11.84202        -0.125062     -0.369380     -0.073433
      4.40426      3.34209     12.97748        -0.004608     -0.331447      0.531717
      7.16801      4.51657      5.20494        -0.045455     -0.230913     -0.025160
      7.24878      2.92251      6.67786         0.302615     -0.024165      0.060937
      5.32475      3.60940      5.97595        -0.288688     -0.352481     -0.153634
     -0.43649      7.22352      4.49105        -0.022128      0.141169     -0.018246
      1.34957      7.55445      3.38200        -0.243473     -0.049932     -0.484961
     -0.24765      6.19408      2.64491        -0.311435      0.051075     -0.170349
      3.29659      5.59128      9.81654        -0.096083      0.085516     -0.441165
      1.86416      4.45715      8.73152         0.016860     -0.012981      0.021905
      3.82113      4.76287      7.83128         0.017192     -0.075660      0.236974
      6.02478      6.98463      3.47474         0.059722      0.267729      0.023921
      4.09384      7.41107      4.52007         0.131262      0.150030      0.020927
      5.17614      5.69019      5.02229        -0.057522     -0.054535      0.355966
      0.55135      8.42892     20.46508        -0.090582      0.067747      0.391455
      2.21345      6.99064     -0.74108        -0.106102     -0.049533     -0.700675
      0.55808      6.85973      0.65232        -0.148302      0.240580     -0.177578
     19.45693      9.42069     18.89260        -0.053484     -0.051060      0.000211
     20.01154     10.33688     16.97866        -0.128535      0.220312     -0.034612
     18.40852      8.89193     17.04057        -0.200327     -0.091881      0.219116
      4.87079      7.99493     19.93869        -0.226813     -0.202849     -0.087286
      3.74841      6.60517     18.77023        -0.147581     -0.192629      0.383948
      4.66799      8.19829     17.69807         0.130326      0.017645     -0.056950
      3.36803     11.44579     14.62181        -0.064151      0.056876     -0.135637
      2.29585     11.59476     16.50673         0.093483      0.242264      0.120221
      3.84291     10.12240     16.27559         0.217892     -0.060599     -0.139254
     17.38683     11.32912     13.08894        -0.273991     -0.114435      0.044469
     18.94638      9.95853     12.53586         0.068946     -0.578958     -0.307180
     18.02332      9.81658     14.51813        -0.090898     -0.313575      0.224218
     16.30313     14.24023      9.83366        -0.158690      0.115659      0.194830
     17.88748     14.87505      8.45506        -0.076724      0.183406     -0.044227
     16.25082     13.65889      7.72661        -0.041498      0.122610     -0.080046
      1.68911     12.49725     12.60529        -0.109752     -0.133015     -0.276856
      0.19090     11.05698     12.08514        -0.183970     -0.150209     -0.041812
      1.29376     12.02635     10.51040         0.189151      0.044358     -0.295607
      1.09837     15.64388      7.30045         0.174448      0.274960     -0.205943
     20.91841     15.69298      8.95739         0.302460      0.175478      0.088317
      1.21350     14.21826      8.94124         0.381992     -0.092409      0.025923
     17.11661     16.03705      2.93486         0.125643     -0.015832     -0.282255
     18.75808     14.64887      3.19526         0.130234     -0.111785     -0.082441
     16.91305     14.43650      4.40448         0.074631     -0.021729     -0.324532
 -----------------------------------------------------------------------------------
    total drift:                               -0.024094      0.007626      0.008651


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4560.6853064949 eV

  energy  without entropy=    -4560.8346539774  energy(sigma->0) =    -4560.73508899
 
 d Force = 0.2605992E-01[-0.232E-03, 0.524E-01]  d Energy = 0.2623422E-01-0.174E-03
 d Force = 0.1719761E+03[ 0.172E+03, 0.172E+03]  d Ewald  = 0.1719762E+03-0.731E-04


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   40(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.4717959E+00  (-0.7641286E+02)
 number of electron    2498.0000076 magnetization 
 augmentation part      162.9838969 magnetization 

  free energy =  -0.456021351555E+04  energy without entropy=  -0.456036366121E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   40(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) :-0.1839678E+01  (-0.2169878E+01)
 number of electron    2498.0000077 magnetization 
 augmentation part      163.0767684 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8323
  0.8323

  free energy =  -0.456205319365E+04  energy without entropy=  -0.456220188845E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   40(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3696
 total energy-change (2. order) : 0.6559680E-01  (-0.4183294E-01)
 number of electron    2498.0000077 magnetization 
 augmentation part      162.9978126 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3746
  1.0987  1.6505

  free energy =  -0.456198759684E+04  energy without entropy=  -0.456213672065E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   40(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) :-0.1437058E-02  (-0.3517874E-01)
 number of electron    2498.0000077 magnetization 
 augmentation part      162.9131781 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2665
  2.1606  0.8665  0.7722

  free energy =  -0.456198903390E+04  energy without entropy=  -0.456213752950E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   40(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) :-0.4346402E-02  (-0.7492895E-02)
 number of electron    2498.0000077 magnetization 
 augmentation part      162.9312322 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2892
  2.3391  0.8960  0.9608  0.9608

  free energy =  -0.456199338030E+04  energy without entropy=  -0.456214240409E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   40(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3616
 total energy-change (2. order) : 0.3661232E-02  (-0.3629690E-02)
 number of electron    2498.0000077 magnetization 
 augmentation part      162.9435773 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2402
  2.3932  1.0641  1.0641  0.8398  0.8398

  free energy =  -0.456198971907E+04  energy without entropy=  -0.456213829895E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   40(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) :-0.1954861E-03  (-0.9131849E-03)
 number of electron    2498.0000077 magnetization 
 augmentation part      162.9492979 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2243
  2.4095  0.9396  0.9396  1.1906  1.1906  0.6756

  free energy =  -0.456198991456E+04  energy without entropy=  -0.456213899460E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   40(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) : 0.1207491E-03  (-0.1305067E-03)
 number of electron    2498.0000077 magnetization 
 augmentation part      162.9555386 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2199
  2.4385  1.1019  1.1019  1.1985  1.1985  0.8879  0.6123

  free energy =  -0.456198979381E+04  energy without entropy=  -0.456213864498E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   40(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3600
 total energy-change (2. order) :-0.3526470E-04  (-0.1150565E-03)
 number of electron    2498.0000077 magnetization 
 augmentation part      162.9517632 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2246
  2.5039  1.0539  1.0539  1.3237  1.3237  0.9593  0.9593  0.6191

  free energy =  -0.456198982907E+04  energy without entropy=  -0.456213872080E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   40(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3880
 total energy-change (2. order) :-0.4895966E-04  (-0.1862690E-04)
 number of electron    2498.0000077 magnetization 
 augmentation part      162.9521010 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2376
  2.5855  1.8205  1.0720  1.0720  1.2289  0.9218  0.9218  0.9006  0.6157

  free energy =  -0.456198987803E+04  energy without entropy=  -0.456213878746E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   40(  11)  ---------------------------------------



 eigenvalue-minimisations  :  3080
 total energy-change (2. order) :-0.5942502E-04  (-0.4801300E-05)
 number of electron    2498.0000077 magnetization 
 augmentation part      162.9516076 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2417
  2.6233  1.8895  1.3794  1.0480  1.0480  0.9685  0.9685  0.9350  0.9350  0.6222

  free energy =  -0.456198993746E+04  energy without entropy=  -0.456213883273E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   40(  12)  ---------------------------------------



 eigenvalue-minimisations  :  2296
 total energy-change (2. order) :-0.4972881E-04  (-0.7379917E-06)
 number of electron    2498.0000077 magnetization 
 augmentation part      162.9516552 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3100
  2.7838  2.3809  1.4014  1.4014  1.0665  1.0665  0.9547  0.9547  0.8883  0.8883
  0.6240

  free energy =  -0.456198998718E+04  energy without entropy=  -0.456213889187E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   40(  13)  ---------------------------------------



 eigenvalue-minimisations  :  2328
 total energy-change (2. order) :-0.6442779E-04  (-0.9678912E-06)
 number of electron    2498.0000077 magnetization 
 augmentation part      162.9519294 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3206
  3.0357  2.4941  1.4397  1.4397  1.0473  1.0473  1.0301  1.0301  0.9227  0.9227
  0.6247  0.8130

  free energy =  -0.456199005161E+04  energy without entropy=  -0.456213895132E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   40(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2304
 total energy-change (2. order) :-0.2675506E-04  (-0.5048575E-06)
 number of electron    2498.0000077 magnetization 
 augmentation part      162.9517478 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3526
  3.5620  2.5417  1.5469  1.5469  1.0679  1.0679  1.1660  1.1660  0.9163  0.9163
  0.8447  0.6206  0.6206

  free energy =  -0.456199007837E+04  energy without entropy=  -0.456213897998E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   40(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2280
 total energy-change (2. order) :-0.2368962E-04  (-0.3912795E-06)
 number of electron    2498.0000077 magnetization 
 augmentation part      162.9516374 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3698
  3.9960  2.5841  1.8981  1.0600  1.0600  1.3499  1.0683  1.0683  0.9322  0.9322
  0.9273  0.9273  0.6249  0.7489

  free energy =  -0.456199010206E+04  energy without entropy=  -0.456213900378E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   40(  16)  ---------------------------------------



 eigenvalue-minimisations  :  2216
 total energy-change (2. order) :-0.9526470E-05  (-0.1339782E-06)
 number of electron    2498.0000077 magnetization 
 augmentation part      162.9516374 magnetization 

  free energy =  -0.456199011158E+04  energy without entropy=  -0.456213901262E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.9906       2 -56.1478       3 -56.0453       4 -55.7732       5 -55.7834
       6 -56.2942       7 -58.0932       8 -58.2967       9 -56.2820      10 -55.9601
      11 -56.0220      12 -55.7851      13 -55.7538      14 -55.9415      15 -58.0371
      16 -58.1062      17 -56.3028      18 -54.9201      19 -54.8641      20 -55.1251
      21 -55.6218      22 -55.6604      23 -55.7396      24 -55.6370      25 -54.9766
      26 -54.8233      27 -54.9584      28 -54.9455      29 -60.4157      30 -60.3700
      31 -55.5853      32 -55.7973      33 -55.6857      34 -55.2232      35 -55.4584
      36 -55.9436      37 -57.7774      38 -58.0974      39 -56.0468      40 -55.7562
      41 -55.9015      42 -55.6842      43 -55.7211      44 -55.8555      45 -58.0622
      46 -58.2042      47 -56.4650      48 -55.1583      49 -55.0044      50 -55.3022
      51 -55.9059      52 -55.8811      53 -55.7681      54 -55.7157      55 -55.0918
      56 -54.8448      57 -54.9591      58 -56.3276      59 -60.4034      60 -60.6280
      61 -55.9003      62 -55.9839      63 -55.8586      64 -55.6982      65 -55.6948
      66 -56.1826      67 -58.0342      68 -58.1590      69 -56.2340      70 -55.8853
      71 -56.0305      72 -55.7204      73 -55.6535      74 -55.8914      75 -58.0400
      76 -58.2366      77 -56.4584      78 -55.0870      79 -55.0079      80 -55.2891
      81 -55.8030      82 -55.8570      83 -55.9336      84 -55.9356      85 -55.1375
      86 -55.0854      87 -55.1881      88 -56.4386      89 -60.7317      90 -60.4435
      91 -55.6257      92 -55.7503      93 -55.6449      94 -55.3961      95 -55.4817
      96 -55.9737      97 -57.8383      98 -57.9899      99 -56.0831     100 -55.8370
     101 -55.9763     102 -55.5713     103 -55.6370     104 -55.8740     105 -58.0788
     106 -58.2386     107 -56.4852     108 -55.1304     109 -54.9793     110 -55.3771
     111 -55.8965     112 -55.8199     113 -55.7943     114 -55.8316     115 -55.1648
     116 -54.9411     117 -55.0351     118 -56.3828     119 -60.4906     120 -60.5744
     121 -55.8803     122 -55.9675     123 -55.8233     124 -55.7248     125 -55.7342
     126 -56.1336     127 -57.9857     128 -58.2115     129 -56.0493     130 -55.7195
     131 -55.8521     132 -55.5882     133 -55.5368     134 -55.7737     135 -57.8621
     136 -58.0217     137 -56.3796     138 -55.0416     139 -54.9489     140 -55.1950
     141 -55.7653     142 -55.8720     143 -55.9464     144 -55.9169     145 -55.1591
     146 -55.1311     147 -55.1821     148 -56.4103     149 -60.6075     150 -60.5345
     151 -55.5259     152 -55.6061     153 -55.4595     154 -55.2801     155 -55.3788
     156 -55.8372     157 -57.8325     158 -57.8568     159 -55.9164     160 -55.6818
     161 -55.9070     162 -55.4718     163 -55.5724     164 -55.7951     165 -57.9645
     166 -58.1815     167 -56.4614     168 -55.0911     169 -54.9294     170 -55.3021
     171 -55.9461     172 -55.9563     173 -55.8444     174 -55.7261     175 -55.2644
     176 -54.7397     177 -54.9710     178 -56.3606     179 -60.4267     180 -60.5966
     181 -55.8836     182 -56.0831     183 -55.9216     184 -55.6509     185 -55.6538
     186 -56.1789     187 -57.9794     188 -58.2309     189 -56.1832     190 -55.8078
     191 -55.9674     192 -55.7027     193 -55.6594     194 -55.8694     195 -58.0110
     196 -58.2251     197 -56.4645     198 -55.0096     199 -54.9632     200 -55.2894
     201 -55.8512     202 -55.9591     203 -55.8928     204 -55.8263     205 -55.1528
     206 -55.1904     207 -55.0930     208 -56.3938     209 -60.7408     210 -60.5000
     211 -55.9092     212 -56.0812     213 -55.9165     214 -55.6976     215 -55.6792
     216 -56.2020     217 -58.0462     218 -58.2889     219 -56.1032     220 -55.7695
     221 -55.8862     222 -55.5696     223 -55.4544     224 -55.7679     225 -57.9143
     226 -58.1226     227 -56.4404     228 -55.0281     229 -54.9978     230 -55.1584
     231 -55.6806     232 -55.9573     233 -56.0100     234 -55.6699     235 -55.1104
     236 -55.1300     237 -55.1695     238 -56.4554     239 -60.3702     240 -60.3361
     241 -55.8925     242 -55.9709     243 -55.8349     244 -55.6945     245 -55.7262
     246 -56.1724     247 -58.0085     248 -58.1532     249 -56.1683     250 -55.8330
     251 -55.9672     252 -55.6970     253 -55.6979     254 -55.8887     255 -57.9546
     256 -58.0783     257 -56.3552     258 -55.0623     259 -54.9087     260 -55.1862
     261 -55.7730     262 -55.8239     263 -55.8711     264 -55.9594     265 -55.3737
     266 -54.9546     267 -55.1212     268 -56.4366     269 -60.6359     270 -60.3634
     271 -55.8247     272 -55.9143     273 -55.7274     274 -55.6608     275 -55.6509
     276 -56.0178     277 -58.1209     278 -58.1874     279 -55.8282     280 -55.5845
     281 -55.7003     282 -55.4040     283 -55.3766     284 -55.6626     285 -57.9018
     286 -58.0910     287 -56.4237     288 -55.0031     289 -54.9492     290 -55.2946
     291 -55.8311     292 -55.8352     293 -55.8129     294 -55.7290     295 -55.0758
     296 -54.8699     297 -54.9601     298 -56.3202     299 -60.3855     300 -60.5181
     301 -55.8328     302 -55.9799     303 -55.8392     304 -55.5603     305 -55.5991
     306 -56.0892     307 -58.0439     308 -58.2385     309 -56.1236     310 -55.7857
     311 -55.9473     312 -55.6568     313 -55.6143     314 -55.8498     315 -57.9418
     316 -58.1089     317 -56.3968     318 -55.0065     319 -54.9084     320 -55.1973
     321 -55.7695     322 -55.8040     323 -55.9310     324 -55.9065     325 -55.1577
     326 -55.1259     327 -55.2021     328 -56.4370     329 -60.6300     330 -60.3773
     331 -55.7789     332 -55.7945     333 -55.6662     334 -55.6162     335 -55.5857
     336 -56.0277     337 -57.9723     338 -57.9395     339 -55.8573     340 -55.5293
     341 -55.7306     342 -55.4904     343 -55.5219     344 -55.7157     345 -57.9019
     346 -58.0070     347 -56.3717     348 -54.8934     349 -54.9088     350 -55.2210
     351 -55.7398     352 -55.8257     353 -55.7913     354 -55.7025     355 -55.1800
     356 -54.8380     357 -54.9519     358 -56.3629     359 -60.4190     360 -60.4976
     361 -39.1097     362 -38.7986     363 -38.9717     364 -39.0874     365 -38.9883
     366 -38.7715     367 -38.1847     368 -38.0760     369 -38.0930     370 -38.1266
     371 -38.1620     372 -38.1714     373 -38.7983     374 -38.3319     375 -38.7040
     376 -38.8450     377 -38.8561     378 -38.7749     379 -38.2244     380 -38.1478
     381 -38.2599     382 -38.0698     383 -38.2272     384 -37.9856     385 -38.8349
     386 -38.7331     387 -38.7752     388 -38.8956     389 -38.8289     390 -38.5881
     391 -38.3633     392 -38.1663     393 -38.2014     394 -38.0515     395 -38.2249
     396 -38.2868     397 -38.7569     398 -38.3788     399 -38.7109     400 -38.8805
     401 -38.6947     402 -38.7751     403 -38.3070     404 -38.1497     405 -38.3540
     406 -38.2411     407 -38.0467     408 -37.9104     409 -38.8104     410 -38.7751
     411 -38.9704     412 -38.7653     413 -38.8983     414 -38.6024     415 -38.1706
     416 -38.1498     417 -38.1514     418 -38.0826     419 -38.1636     420 -38.2573
     421 -38.5776     422 -38.2631     423 -38.5497     424 -38.6930     425 -38.5889
     426 -38.6449     427 -38.1475     428 -38.0556     429 -38.3107     430 -38.2031
     431 -38.1559     432 -38.0658     433 -38.8088     434 -38.6932     435 -38.9577
     436 -38.7701     437 -39.0154     438 -38.6726     439 -38.5350     440 -38.0621
     441 -38.2310     442 -38.1250     443 -38.2655     444 -38.1215     445 -38.8782
     446 -38.7726     447 -38.8423     448 -38.8023     449 -38.7601     450 -38.3859
     451 -38.1275     452 -37.8569     453 -38.1744     454 -38.1254     455 -38.0511
     456 -38.0766     457 -38.8977     458 -38.6803     459 -38.8927     460 -38.9007
     461 -38.8979     462 -38.6973     463 -38.3194     464 -38.2268     465 -37.9980
     466 -38.4745     467 -38.1153     468 -38.0923     469 -38.9043     470 -38.7345
     471 -38.6802     472 -38.7301     473 -38.5157     474 -38.3285     475 -38.1732
     476 -38.0485     477 -38.1427     478 -38.0062     479 -38.1624     480 -37.9922
     481 -38.8763     482 -38.7372     483 -38.8645     484 -38.8842     485 -38.9226
     486 -38.7706     487 -38.2308     488 -38.1357     489 -38.1376     490 -38.1838
     491 -38.2154     492 -38.3332     493 -38.8492     494 -38.5468     495 -38.6851
     496 -38.7303     497 -38.5748     498 -38.4810     499 -38.1693     500 -37.9113
     501 -38.2015     502 -38.1245     503 -38.1039     504 -37.9542     505 -38.2555
     506 -41.1693     507 -71.6467     508 -71.5422     509 -71.4638     510 -71.5863
     511 -71.3571     512 -71.5759     513 -71.3532     514 -71.5666     515 -71.5446
     516 -71.3694     517 -71.3267     518 -71.5273     519 -71.5590     520 -71.6708
     521 -71.5147     522 -71.4924     523 -71.5202     524 -71.4104     525 -71.6131
     526 -71.4119     527 -71.5668     528 -71.4853     529 -71.1960     530 -71.4632
     531 -76.9732     532 -76.7775     533 -76.7991     534 -76.7044     535 -76.7855
     536 -76.4429     537 -76.9172     538 -76.7742     539 -76.8800     540 -76.8289
     541 -76.9141     542 -76.7120     543 -76.6807     544 -76.5681     545 -76.9450
     546 -76.8099     547 -76.8926     548 -76.6768     549 -76.7022     550 -76.5007
     551 -76.5503     552 -76.5546     553 -76.8093     554 -76.5979     555 -76.8208
     556 -76.6871     557 -76.9073     558 -76.6831     559 -76.9493     560 -76.7416
     561 -76.7811     562 -76.5488     563 -76.8295     564 -76.6878     565 -76.7537
     566 -76.6157     567 -76.8728     568 -76.8678     569 -76.8840     570 -76.5208
     571 -76.9278     572 -76.7446     573 -76.7654     574 -76.6051     575 -76.5648
     576 -76.6244     577 -76.6652     578 -76.4936     579 -82.4641     580 -82.3029
     581 -82.4266     582 -82.4101     583 -82.2926     584 -82.2998     585 -82.4991
     586 -82.5326     587 -82.6836     588 -82.2874     589 -82.2539     590 -82.4614
     591 -82.4873     592 -82.2815     593 -82.4560     594 -82.6617     595 -82.4817
     596 -82.7854     597 -82.4414     598 -82.4904     599 -82.6673     600 -82.2964
     601 -82.3370     602 -82.3188     603 -82.5363     604 -82.3673     605 -82.7443
     606 -82.4128     607 -82.4319     608 -82.5446     609 -82.5551     610 -82.2990
     611 -82.6388     612 -82.4583     613 -82.2954     614 -82.2691     615 -82.4300
     616 -82.6183     617 -82.4348     618 -82.8688     619 -82.7945     620 -82.8116
     621 -82.2426     622 -82.3796     623 -82.4303     624 -82.4362     625 -82.4419
     626 -82.1791     627 -82.2027     628 -82.2820     629 -82.2644     630 -82.4151
     631 -82.7540     632 -82.3006     633 -82.3568     634 -82.4598     635 -82.5456
     636 -82.2874     637 -82.3530     638 -82.2958     639 -82.2093     640 -82.3429
     641 -82.3805     642 -82.4478     643 -82.6479     644 -82.4791     645 -82.3915
     646 -82.4845     647 -82.6212     648 -82.4024     649 -82.3052     650 -82.2802
 
 
 
 E-fermi :  -1.4461     XC(G=0):  -6.4478     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.3992      2.00000
      2     -29.0909      2.00000
      3     -29.0280      2.00000
      4     -29.0222      2.00000
      5     -29.0143      2.00000
      6     -29.0100      2.00000
      7     -28.9785      2.00000
      8     -28.9561      2.00000
      9     -28.9449      2.00000
     10     -28.9322      2.00000
     11     -28.9041      2.00000
     12     -28.8940      2.00000
     13     -28.8889      2.00000
     14     -28.8835      2.00000
     15     -28.8358      2.00000
     16     -28.7864      2.00000
     17     -28.7690      2.00000
     18     -28.7166      2.00000
     19     -28.7024      2.00000
     20     -28.6839      2.00000
     21     -28.6591      2.00000
     22     -28.6430      2.00000
     23     -28.6405      2.00000
     24     -28.5329      2.00000
     25     -27.1929      2.00000
     26     -26.8618      2.00000
     27     -26.7978      2.00000
     28     -26.7548      2.00000
     29     -26.7529      2.00000
     30     -26.7520      2.00000
     31     -26.7402      2.00000
     32     -26.7006      2.00000
     33     -26.6600      2.00000
     34     -26.6532      2.00000
     35     -26.6312      2.00000
     36     -26.6197      2.00000
     37     -26.6143      2.00000
     38     -26.5854      2.00000
     39     -26.5807      2.00000
     40     -26.5736      2.00000
     41     -26.5712      2.00000
     42     -26.5656      2.00000
     43     -26.5609      2.00000
     44     -26.5577      2.00000
     45     -26.5131      2.00000
     46     -26.5049      2.00000
     47     -26.5042      2.00000
     48     -26.4978      2.00000
     49     -26.4911      2.00000
     50     -26.4883      2.00000
     51     -26.4785      2.00000
     52     -26.4660      2.00000
     53     -26.4575      2.00000
     54     -26.4449      2.00000
     55     -26.4429      2.00000
     56     -26.4283      2.00000
     57     -26.4175      2.00000
     58     -26.4114      2.00000
     59     -26.4101      2.00000
     60     -26.3903      2.00000
     61     -26.3801      2.00000
     62     -26.3565      2.00000
     63     -26.3510      2.00000
     64     -26.3501      2.00000
     65     -26.3429      2.00000
     66     -26.3005      2.00000
     67     -26.2988      2.00000
     68     -26.2908      2.00000
     69     -26.2775      2.00000
     70     -26.2712      2.00000
     71     -26.2514      2.00000
     72     -26.2403      2.00000
     73     -23.3451      2.00000
     74     -23.3236      2.00000
     75     -23.3001      2.00000
     76     -23.2609      2.00000
     77     -23.2267      2.00000
     78     -23.2264      2.00000
     79     -23.2244      2.00000
     80     -23.2052      2.00000
     81     -23.1716      2.00000
     82     -23.1695      2.00000
     83     -23.1516      2.00000
     84     -23.1342      2.00000
     85     -23.1279      2.00000
     86     -23.0798      2.00000
     87     -23.0599      2.00000
     88     -23.0495      2.00000
     89     -23.0379      2.00000
     90     -23.0346      2.00000
     91     -23.0135      2.00000
     92     -23.0019      2.00000
     93     -22.9809      2.00000
     94     -22.9748      2.00000
     95     -22.9494      2.00000
     96     -22.9352      2.00000
     97     -22.9111      2.00000
     98     -22.8932      2.00000
     99     -22.8848      2.00000
    100     -22.8479      2.00000
    101     -22.8382      2.00000
    102     -22.8164      2.00000
    103     -22.8084      2.00000
    104     -22.7613      2.00000
    105     -22.7366      2.00000
    106     -22.7349      2.00000
    107     -22.7327      2.00000
    108     -22.7292      2.00000
    109     -22.7013      2.00000
    110     -22.6435      2.00000
    111     -22.6124      2.00000
    112     -22.5992      2.00000
    113     -22.5929      2.00000
    114     -22.5510      2.00000
    115     -22.5505      2.00000
    116     -22.5324      2.00000
    117     -22.5182      2.00000
    118     -22.5073      2.00000
    119     -22.4918      2.00000
    120     -22.4733      2.00000
    121     -20.4597      2.00000
    122     -20.4392      2.00000
    123     -20.4104      2.00000
    124     -20.3875      2.00000
    125     -20.3660      2.00000
    126     -20.3071      2.00000
    127     -20.2917      2.00000
    128     -20.2911      2.00000
    129     -20.2703      2.00000
    130     -20.2420      2.00000
    131     -20.2239      2.00000
    132     -20.1997      2.00000
    133     -20.1976      2.00000
    134     -20.1879      2.00000
    135     -20.1774      2.00000
    136     -20.1584      2.00000
    137     -20.1358      2.00000
    138     -20.1334      2.00000
    139     -20.1206      2.00000
    140     -20.1040      2.00000
    141     -20.0997      2.00000
    142     -20.0697      2.00000
    143     -20.0302      2.00000
    144     -20.0095      2.00000
    145     -18.7132      2.00000
    146     -18.6316      2.00000
    147     -18.5800      2.00000
    148     -18.5683      2.00000
    149     -18.5658      2.00000
    150     -18.5652      2.00000
    151     -18.5432      2.00000
    152     -18.5089      2.00000
    153     -18.4743      2.00000
    154     -18.4737      2.00000
    155     -18.4147      2.00000
    156     -18.4014      2.00000
    157     -18.4009      2.00000
    158     -18.3146      2.00000
    159     -18.2862      2.00000
    160     -18.2721      2.00000
    161     -18.2670      2.00000
    162     -18.2588      2.00000
    163     -18.2227      2.00000
    164     -18.2048      2.00000
    165     -18.1855      2.00000
    166     -18.1738      2.00000
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   1305       2.0087     -0.00000
   1306       2.0373     -0.00000
   1307       2.0641     -0.00000
   1308       2.0731     -0.00000
   1309       2.0808     -0.00000
   1310       2.0993     -0.00000
   1311       2.1069     -0.00000
   1312       2.1348     -0.00000
   1313       2.1489     -0.00000
   1314       2.1619     -0.00000
   1315       2.1913     -0.00000
   1316       2.2137     -0.00000
   1317       2.2353     -0.00000
   1318       2.2444     -0.00000
   1319       2.2490     -0.00000
   1320       2.3320     -0.00000
   1321       2.3361     -0.00000
   1322       2.3701     -0.00000
   1323       2.4140     -0.00000
   1324       2.4199     -0.00000
   1325       2.4607     -0.00000
   1326       2.4763     -0.00000
   1327       2.5001     -0.00000
   1328       2.5096     -0.00000
   1329       2.5348     -0.00000
   1330       2.5512     -0.00000
   1331       2.5816     -0.00000
   1332       2.5972     -0.00000
   1333       2.6065     -0.00000
   1334       2.6274     -0.00000
   1335       2.6353     -0.00000
   1336       2.6563     -0.00000
   1337       2.6780     -0.00000
   1338       2.6865     -0.00000
   1339       2.6920     -0.00000
   1340       2.6969     -0.00000
   1341       2.7186     -0.00000
   1342       2.7580     -0.00000
   1343       2.7627     -0.00000
   1344       2.7912     -0.00000
   1345       2.8274     -0.00000
   1346       2.9474     -0.00000
   1347       2.9920     -0.00000
   1348       3.0265     -0.00000
   1349       3.0490     -0.00000
   1350       3.0593     -0.00000
   1351       3.0843     -0.00000
   1352       3.0937     -0.00000
   1353       3.1219     -0.00000
   1354       3.1504     -0.00000
   1355       3.1655     -0.00000
   1356       3.1879     -0.00000
   1357       3.1984     -0.00000
   1358       3.2295     -0.00000
   1359       3.2480     -0.00000
   1360       3.2651     -0.00000
   1361       3.3231     -0.00000
   1362       3.4275     -0.00000
   1363       3.4806     -0.00000
   1364       3.5268     -0.00000
   1365       3.6154     -0.00000
   1366       3.6496     -0.00000
   1367       3.7149     -0.00000
   1368       3.7267     -0.00000
   1369       3.7657     -0.00000
   1370       3.7846     -0.00000
   1371       3.8053     -0.00000
   1372       3.8300     -0.00000
   1373       3.8627     -0.00000
   1374       3.8804      0.00000
   1375       3.8926      0.00000
   1376       3.9001      0.00000
   1377       3.9196      0.00000
   1378       3.9403      0.00000
   1379       3.9506      0.00000
   1380       3.9662      0.00000
   1381       3.9813      0.00000
   1382       3.9957      0.00000
   1383       4.0097      0.00000
   1384       4.0313      0.00000
   1385       4.0425      0.00000
   1386       4.0443      0.00000
   1387       4.0672      0.00000
   1388       4.0698      0.00000
   1389       4.0901      0.00000
   1390       4.1023      0.00000
   1391       4.1085      0.00000
   1392       4.1221      0.00000
   1393       4.1401      0.00000
   1394       4.1500      0.00000
   1395       4.1569      0.00000
   1396       4.1681      0.00000
   1397       4.1758      0.00000
   1398       4.1855      0.00000
   1399       4.1941      0.00000
   1400       4.2146      0.00000
   1401       4.2298      0.00000
   1402       4.2502      0.00000
   1403       4.2533      0.00000
   1404       4.2649      0.00000
   1405       4.2861      0.00000
   1406       4.3021      0.00000
   1407       4.3066      0.00000
   1408       4.3234      0.00000
   1409       4.3317      0.00000
   1410       4.3487      0.00000
   1411       4.3593      0.00000
   1412       4.3822      0.00000
   1413       4.3972      0.00000
   1414       4.4050      0.00000
   1415       4.4121      0.00000
   1416       4.4336      0.00000
   1417       4.4446      0.00000
   1418       4.4632      0.00000
   1419       4.4646      0.00000
   1420       4.4924      0.00000
   1421       4.4937      0.00000
   1422       4.5074      0.00000
   1423       4.5173      0.00000
   1424       4.5336      0.00000
   1425       4.5636      0.00000
   1426       4.5804      0.00000
   1427       4.6010      0.00000
   1428       4.6155      0.00000
   1429       4.6272      0.00000
   1430       4.6459      0.00000
   1431       4.6598      0.00000
   1432       4.6971      0.00000
   1433       4.7016      0.00000
   1434       4.7288      0.00000
   1435       4.7751      0.00000
   1436       4.7925      0.00000
   1437       4.8121      0.00000
   1438       4.8282      0.00000
   1439       4.8456      0.00000
   1440       4.8577      0.00000
   1441       4.8867      0.00000
   1442       4.8999      0.00000
   1443       4.9159      0.00000
   1444       4.9567      0.00000
   1445       4.9694      0.00000
   1446       4.9750      0.00000
   1447       4.9826      0.00000
   1448       4.9910      0.00000
   1449       5.0136      0.00000
   1450       5.0235      0.00000
   1451       5.0376      0.00000
   1452       5.0574      0.00000
   1453       5.0845      0.00000
   1454       5.0973      0.00000
   1455       5.1157      0.00000
   1456       5.1386      0.00000
   1457       5.1419      0.00000
   1458       5.1490      0.00000
   1459       5.1553      0.00000
   1460       5.1737      0.00000
   1461       5.1866      0.00000
   1462       5.2284      0.00000
   1463       5.2376      0.00000
   1464       5.2516      0.00000
   1465       5.2550      0.00000
   1466       5.2604      0.00000
   1467       5.2996      0.00000
   1468       5.3068      0.00000
   1469       5.3155      0.00000
   1470       5.3240      0.00000
   1471       5.3336      0.00000
   1472       5.3350      0.00000
   1473       5.3552      0.00000
   1474       5.3730      0.00000
   1475       5.3820      0.00000
   1476       5.3897      0.00000
   1477       5.4003      0.00000
   1478       5.4071      0.00000
   1479       5.4144      0.00000
   1480       5.4339      0.00000
   1481       5.4384      0.00000
   1482       5.4460      0.00000
   1483       5.4639      0.00000
   1484       5.4768      0.00000
   1485       5.4840      0.00000
   1486       5.4962      0.00000
   1487       5.5028      0.00000
   1488       5.5055      0.00000
   1489       5.5155      0.00000
   1490       5.5168      0.00000
   1491       5.5220      0.00000
   1492       5.5329      0.00000
   1493       5.5414      0.00000
   1494       5.5483      0.00000
   1495       5.5526      0.00000
   1496       5.5737      0.00000
   1497       5.5786      0.00000
   1498       5.5852      0.00000
   1499       5.5898      0.00000
   1500       5.5972      0.00000
   1501       5.6133      0.00000
   1502       5.6227      0.00000
   1503       5.6278      0.00000
   1504       5.6450      0.00000
   1505       5.6572      0.00000
   1506       5.6645      0.00000
   1507       5.6710      0.00000
   1508       5.6739      0.00000
   1509       5.6939      0.00000
   1510       5.7044      0.00000
   1511       5.7065      0.00000
   1512       5.7153      0.00000
   1513       5.7253      0.00000
   1514       5.7359      0.00000
   1515       5.7474      0.00000
   1516       5.7576      0.00000
   1517       5.7622      0.00000
   1518       5.7704      0.00000
   1519       5.7756      0.00000
   1520       5.7869      0.00000
   1521       5.8071      0.00000
   1522       5.8184      0.00000
   1523       5.8194      0.00000
   1524       5.8374      0.00000
   1525       5.8398      0.00000
   1526       5.8449      0.00000
   1527       5.8514      0.00000
   1528       5.8661      0.00000
   1529       5.8891      0.00000
   1530       5.8969      0.00000
   1531       5.9062      0.00000
   1532       5.9173      0.00000
   1533       5.9221      0.00000
   1534       5.9289      0.00000
   1535       5.9372      0.00000
   1536       5.9409      0.00000
   1537       5.9580      0.00000
   1538       5.9692      0.00000
   1539       5.9747      0.00000
   1540       5.9773      0.00000
   1541       5.9994      0.00000
   1542       6.0028      0.00000
   1543       6.0108      0.00000
   1544       6.0214      0.00000
   1545       6.0297      0.00000
   1546       6.0337      0.00000
   1547       6.0523      0.00000
   1548       6.0574      0.00000
   1549       6.0657      0.00000
   1550       6.0829      0.00000
   1551       6.0857      0.00000
   1552       6.0975      0.00000
   1553       6.1091      0.00000
   1554       6.1121      0.00000
   1555       6.1181      0.00000
   1556       6.1239      0.00000
   1557       6.1299      0.00000
   1558       6.1394      0.00000
   1559       6.1423      0.00000
   1560       6.1611      0.00000
   1561       6.1667      0.00000
   1562       6.1788      0.00000
   1563       6.1891      0.00000
   1564       6.1949      0.00000
   1565       6.2033      0.00000
   1566       6.2162      0.00000
   1567       6.2259      0.00000
   1568       6.2276      0.00000
   1569       6.2371      0.00000
   1570       6.2422      0.00000
   1571       6.2465      0.00000
   1572       6.2645      0.00000
   1573       6.2713      0.00000
   1574       6.2748      0.00000
   1575       6.2786      0.00000
   1576       6.2856      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.086  13.410  -0.001   0.001  -0.000   0.002  -0.005   0.000
 13.410  17.828  -0.001   0.002  -0.000   0.002  -0.006   0.000
 -0.001  -0.001  -4.230   0.003   0.001   8.272  -0.004  -0.001
  0.001   0.002   0.003  -4.230   0.001  -0.004   8.272  -0.001
 -0.000  -0.000   0.001   0.001  -4.222  -0.001  -0.001   8.262
  0.002   0.002   8.272  -0.004  -0.001 -18.306   0.007   0.001
 -0.005  -0.006  -0.004   8.272  -0.001   0.007 -18.303   0.001
  0.000   0.000  -0.001  -0.001   8.262   0.001   0.001 -18.296
 total augmentation occupancy for first ion, spin component:           1
  8.621  -3.903   0.179   0.140  -0.052   0.023   0.026  -0.008
 -3.903   1.841  -0.090  -0.094   0.030  -0.010  -0.015   0.005
  0.179  -0.090   1.795  -0.061  -0.039   0.170  -0.011  -0.007
  0.140  -0.094  -0.061   1.932  -0.076  -0.011   0.182  -0.011
 -0.052   0.030  -0.039  -0.076   1.225  -0.007  -0.011   0.081
  0.023  -0.010   0.170  -0.011  -0.007   0.018  -0.002  -0.001
  0.026  -0.015  -0.011   0.182  -0.011  -0.002   0.019  -0.001
 -0.008   0.005  -0.007  -0.011   0.081  -0.001  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -52758.66541103240.95219 29350.28841-12368.74774  6761.42214 22799.38723
  Hartree  2671.79844130089.55093 67547.57306-12651.38335  4741.09106 17242.60939
  E(xc)  -10742.94690-10597.45671-10641.17141     2.38239     8.00357    31.20201
  Local   16672.93543************************ 25003.43143-11535.99674-39474.50870
  n-local -5858.10995 -5985.60954 -6045.23574     5.43915    17.15552   -61.08277
  augment  1492.04433  1536.26977  1486.96443     5.03467    13.14917    -1.85713
  Kinetic 45571.34629 43252.16553 43770.19293   -23.99987   -75.15709  -537.43577
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -43.7390471   -392.5160939    -71.2461716    -27.8433156    -70.3323690     -1.6857368
  in kB       -7.2938362    -65.4552005    -11.8808694     -4.6430957    -11.7284855     -0.2811101
  external PRESSURE =     -28.2099687 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.258E+03 -.117E+03 0.250E+03   0.258E+03 0.118E+03 -.252E+03   -.479E-01 -.738E+00 0.140E+01   -.334E-03 -.722E-04 0.996E-04
   -.213E+03 -.140E+03 0.520E+02   0.213E+03 0.141E+03 -.514E+02   0.276E+00 -.116E+01 -.319E+00   -.229E-03 -.190E-04 0.113E-03
   -.184E+03 -.129E+03 0.373E+01   0.184E+03 0.130E+03 -.206E+01   0.271E+00 -.105E+01 -.144E+01   -.230E-03 0.344E-04 0.109E-03
   -.239E+03 -.106E+03 0.350E+03   0.239E+03 0.106E+03 -.353E+03   -.234E+00 -.106E-01 0.248E+01   -.481E-03 0.198E-04 0.385E-04
   -.190E+03 -.153E+03 0.311E+03   0.190E+03 0.153E+03 -.312E+03   0.202E+00 -.739E+00 0.873E+00   -.510E-03 0.988E-04 0.249E-04
   -.168E+03 -.118E+03 0.170E+03   0.168E+03 0.118E+03 -.170E+03   0.113E+00 -.196E+00 -.538E-01   -.365E-03 0.859E-04 0.728E-04
   -.266E+03 -.137E+03 0.182E+03   0.266E+03 0.142E+03 -.183E+03   0.444E+00 -.456E+01 0.719E+00   -.295E-03 -.125E-03 0.131E-03
   -.196E+03 -.119E+03 0.316E+02   0.197E+03 0.123E+03 -.340E+02   -.530E+00 -.402E+01 0.203E+01   -.175E-03 -.631E-04 0.419E-04
   -.120E+03 0.851E+01 0.202E+03   0.119E+03 -.857E+01 -.202E+03   0.221E+00 -.182E-01 0.161E+00   -.377E-03 0.947E-04 0.808E-04
   -.953E+02 0.899E+02 0.657E+02   0.948E+02 -.914E+02 -.645E+02   0.439E+00 0.130E+01 -.103E+01   -.198E-03 0.457E-04 0.131E-03
   -.108E+03 0.114E+03 0.135E+03   0.108E+03 -.115E+03 -.135E+03   0.161E+00 0.102E+01 0.149E+00   -.147E-03 0.747E-04 0.162E-03
   -.127E+03 0.594E+01 0.340E+03   0.127E+03 -.641E+01 -.341E+03   -.273E+00 0.285E+00 0.112E+01   -.605E-03 0.793E-04 0.683E-04
   -.129E+03 -.326E+02 0.374E+03   0.129E+03 0.336E+02 -.376E+03   -.107E+00 -.945E+00 0.240E+01   -.595E-03 0.712E-04 0.136E-03
   -.133E+03 0.328E+02 0.311E+03   0.133E+03 -.326E+02 -.313E+03   -.967E-02 0.159E+00 0.162E+01   -.296E-03 0.134E-03 0.164E-03
   -.132E+03 0.119E+03 0.276E+03   0.132E+03 -.123E+03 -.278E+03   0.490E+00 0.412E+01 0.214E+01   -.196E-03 0.138E-03 0.189E-03
   -.102E+03 0.125E+03 0.109E+03   0.102E+03 -.127E+03 -.113E+03   0.217E+00 0.294E+01 0.349E+01   -.446E-04 0.634E-04 0.867E-04
   -.977E+02 0.123E+03 0.624E+02   0.982E+02 -.118E+03 -.583E+02   -.491E+00 -.480E+01 -.426E+01   0.244E-04 0.486E-04 -.330E-04
   -.273E+02 0.207E+03 -.156E+03   0.266E+02 -.209E+03 0.158E+03   0.585E+00 0.186E+01 -.217E+01   0.133E-04 0.273E-04 -.762E-04
   0.838E+01 0.155E+03 -.205E+03   -.870E+01 -.155E+03 0.207E+03   0.413E+00 0.637E-02 -.200E+01   0.133E-04 0.329E-04 -.677E-04
   -.863E+02 0.126E+03 0.192E+03   0.873E+02 -.125E+03 -.196E+03   -.997E+00 -.761E+00 0.317E+01   0.250E-04 0.374E-04 0.629E-05
   -.162E+02 0.838E+02 -.625E+01   0.148E+02 -.855E+02 0.756E+01   0.143E+01 0.156E+01 -.110E+01   0.429E-04 -.560E-05 -.730E-04
   -.238E+02 0.161E+02 -.145E+03   0.239E+02 -.164E+02 0.146E+03   -.219E+00 0.151E+00 -.855E+00   0.473E-04 -.283E-04 -.846E-04
   -.625E+02 -.304E+02 -.186E+03   0.629E+02 0.308E+02 0.185E+03   -.411E+00 -.288E+00 0.719E+00   0.533E-04 -.601E-04 -.775E-04
   -.586E+02 -.697E+02 -.242E+03   0.597E+02 0.713E+02 0.241E+03   -.114E+01 -.150E+01 0.138E+01   -.416E-04 -.399E-04 -.470E-04
   -.370E+02 -.155E+03 -.354E+03   0.366E+02 0.156E+03 0.356E+03   0.358E+00 -.237E+00 -.177E+01   -.680E-04 0.468E-04 -.772E-04
   -.123E+03 -.171E+03 -.169E+03   0.124E+03 0.171E+03 0.168E+03   -.727E+00 -.373E+00 0.186E+01   0.508E-04 -.617E-04 -.402E-04
   -.994E+02 -.291E+03 -.202E+03   0.996E+02 0.292E+03 0.202E+03   -.156E+00 -.957E+00 0.345E+00   -.111E-04 -.700E-05 0.192E-04
   -.542E+02 -.265E+03 -.311E+03   0.542E+02 0.266E+03 0.311E+03   0.198E+00 -.110E+01 -.637E+00   -.483E-04 0.952E-04 -.290E-04
   -.524E+02 -.172E+02 -.233E+03   0.581E+02 0.250E+02 0.227E+03   -.571E+01 -.781E+01 0.516E+01   -.145E-03 0.253E-04 -.182E-03
   -.247E+02 0.515E+02 0.348E+02   0.199E+02 -.604E+02 -.300E+02   0.493E+01 0.892E+01 -.458E+01   -.212E-03 0.184E-03 -.116E-03
   -.223E+03 -.256E+02 -.425E+02   0.223E+03 0.255E+02 0.441E+02   -.135E+00 -.359E+00 -.185E+01   -.992E-04 -.886E-04 0.880E-04
   -.156E+03 -.151E+03 0.136E+03   0.155E+03 0.153E+03 -.136E+03   0.351E-01 -.128E+01 -.334E+00   -.100E-03 0.969E-05 0.308E-04
   -.172E+03 -.156E+03 0.173E+03   0.172E+03 0.157E+03 -.174E+03   0.112E+00 -.149E+01 0.867E+00   -.751E-04 0.167E-04 -.520E-05
   -.326E+03 0.884E+01 -.167E+03   0.325E+03 -.107E+02 0.170E+03   0.417E+00 0.185E+01 -.291E+01   0.526E-04 -.706E-04 0.179E-03
   -.311E+03 -.700E+02 -.195E+03   0.311E+03 0.701E+02 0.196E+03   0.254E+00 -.144E+00 -.128E+01   0.170E-03 -.744E-04 0.181E-03
   -.237E+03 -.725E+02 -.125E+02   0.237E+03 0.724E+02 0.126E+02   0.326E+00 0.148E+00 -.918E-01   0.499E-04 -.597E-04 0.682E-04
   -.123E+03 -.530E+02 -.322E+01   0.124E+03 0.568E+02 0.617E+01   -.670E+00 -.416E+01 -.261E+01   -.173E-03 -.120E-03 0.126E-03
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 -----------------------------------------------------------------------------------------------
   0.635E+01 -.943E+00 0.476E+01   0.231E-10 0.682E-12 0.574E-11   -.638E+01 0.949E+00 -.476E+01   0.138E-01 0.537E-02 0.597E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.98562      3.16718      1.39778         0.055020     -0.306457     -0.168767
     12.78552      3.58020      2.70156         0.026421     -0.040517      0.226666
     12.74840      4.94389      3.02490        -0.017339      0.239061      0.232518
     13.01196      4.08234      0.36243        -0.014312      0.013063     -0.116205
     12.93486      5.43427      0.68477         0.020040      0.121457     -0.143217
     12.86560      5.93169      2.00809         0.055169     -0.084036     -0.175111
     13.11424      1.68909      1.35261        -0.195396      0.117621      0.289999
     12.61181      2.33453      3.53550        -0.057739     -0.010119     -0.410030
     12.96654      7.42657      2.23775         0.148504     -0.073255      0.018892
     12.94661      8.03543      3.51593         0.006527     -0.243692      0.137797
     13.24926      9.39198      3.65137        -0.066264     -0.040372      0.402311
     13.19221      8.30483      1.14472        -0.107772     -0.190477     -0.080968
     13.40431      9.67459      1.27699        -0.053371      0.056041      0.009467
     13.45674     10.20395      2.55656         0.173006      0.320643      0.047430
     13.67902     11.60362      3.01747        -0.055070     -0.065752      0.158766
     13.38354     10.23299      4.88595        -0.089310      0.175442     -0.030568
     13.73474     12.73456      5.33075        -0.060642     -0.204223     -0.153601
     13.42737     12.63046      6.68632        -0.115653      0.190899      0.198796
     13.42351     13.74969      7.52959         0.091842     -0.309618     -0.235109
     14.04641     14.01979      4.88344         0.023021      0.087181      0.017964
     14.04478     15.13008      5.74908         0.045749     -0.160400      0.211476
     13.76849     15.06347      7.16295        -0.062841     -0.055593      0.047869
     13.82926     16.18434      8.22972        -0.014929      0.116376      0.021214
     13.27528     16.13557      9.56779        -0.007234      0.125891      0.079322
     13.37005     17.23951     10.43562        -0.050170      0.164253      0.121304
     14.42076     17.45105      7.95212         0.059273     -0.076842      0.087268
     14.41696     18.57296      8.79040         0.096229     -0.205469      0.011643
     13.90777     18.46424     10.07585         0.224245      0.108274     -0.202978
     12.49663     15.01925     10.23663         0.040399     -0.089274     -0.222122
     14.58800     16.34343      5.08043         0.193783     -0.035448      0.273947
      9.68428      3.86817      4.79627         0.047371     -0.398534     -0.229495
      9.75927      4.79302      3.77685        -0.016343      0.028781     -0.317886
      9.90380      6.14923      4.08370         0.006230      0.280597     -0.176504
      9.72358      4.24663      6.12079         0.178375     -0.043880      0.109438
      9.78627      5.59631      6.42959         0.132494     -0.026860     -0.015640
      9.90225      6.58965      5.43270         0.045684      0.013512     -0.023381
      9.47768      2.51381      4.24221         0.013168     -0.416132      0.337164
      9.66680      4.03780      2.47121         0.068990     -0.139237      0.316500
     10.00538      8.03268      5.82463         0.081236      0.156665     -0.217956
     10.17644      9.05410      4.85791        -0.054356     -0.208045     -0.260882
     10.25534     10.38099      5.25130        -0.076477      0.047071     -0.459466
      9.91646      8.45226      7.17301         0.015035     -0.154634      0.007729
      9.98944      9.79211      7.56398         0.136249     -0.125885      0.184513
     10.16916     10.74697      6.58045         0.053119      0.415586      0.011878
     10.27097     12.22341      6.67452         0.180764     -0.182655     -0.323067
     10.39670     11.62103      4.42406         0.182977      0.105816      0.440277
     10.79790     14.09549      4.99257         0.023479     -0.287565     -0.081220
     11.31453     14.41532      3.73314        -0.076064      0.107494     -0.099074
     11.72111     15.72255      3.43506        -0.094576     -0.208113      0.047759
     10.72673     15.15420      5.90756         0.024172     -0.042329     -0.094013
     11.05241     16.48682      5.57258         0.033361     -0.051047     -0.136161
     11.58570     16.85352      4.26472        -0.018358      0.069204     -0.199303
     12.03041     18.24893      3.72382        -0.018941      0.066222      0.163445
     12.55280     18.65359      2.42476         0.030267      0.211818      0.025714
     12.79631     20.01039      2.10972         0.020671     -0.020509      0.139318
     11.92386     19.35236      4.59392         0.034855      0.279214     -0.251107
     12.16986     20.69494      4.28499        -0.057037     -0.144226      0.206375
     12.58629     21.06608      3.00808         0.020862      0.123006      0.130285
     12.92422     17.78076      1.22169        -0.086938      0.359432      0.475250
     10.79592     17.40652      6.75620         0.153757      0.283135     -0.412633
     10.31434      7.11761     14.62570        -0.045269     -0.387356     -0.232217
     10.18220      7.53971     15.93459         0.057823     -0.197344      0.393197
     10.18982      8.90588     16.26346         0.091893      0.350731      0.372595
     10.32206      8.06140     13.60135        -0.002309     -0.026038     -0.001351
     10.29006      9.41970     13.93696         0.039871      0.346177     -0.196166
     10.28761      9.92045     15.26787         0.040319     -0.168528     -0.225359
     10.35682      5.60600     14.58530        -0.698233      1.410371      1.974523
      9.97660      6.29515     16.79245         0.251914     -0.154884     -1.332481
     10.37345     11.43481     15.53152         0.062468     -0.174630     -0.068560
     10.33946     12.02134     16.82615         0.059107     -0.247253      0.197201
     10.52859     13.40221     17.00194         0.034576      0.004931      0.286432
     10.52892     12.35330     14.45216        -0.031582     -0.253912     -0.010998
     10.67816     13.73147     14.62421        -0.046755     -0.039488     -0.023258
     10.69915     14.24122     15.91531         0.079970      0.219032      0.017119
     10.82989     15.65238     16.37584        -0.058145     -0.062080      0.148915
     10.55024     14.26734     18.24527         0.026655      0.178386     -0.162071
     10.68114     16.84748     18.65161        -0.169803     -0.263859      0.009963
     10.19208     16.77846     19.95757        -0.139557      0.016915      0.010826
      9.97956     17.93311     20.72608         0.125493     -0.259309     -0.331677
     11.00302     18.14682     18.21656         0.099428     -0.001290      0.021448
     10.90830     19.28459     19.05594         0.154558     -0.162433     -0.056514
     10.37835     19.24296     20.40390        -0.046520      0.126629      0.095920
     10.18650     20.38760      0.18921        -0.046275     -0.104852     -0.034636
      9.62657     20.29911      1.53099        -0.046081      0.273918     -0.030878
      9.46434      0.18610      2.33974        -0.145378      0.055081      0.190622
     10.55901      0.46896     21.16214        -0.039117      0.184741     -0.111395
     10.21727      1.62104      0.62954         0.129342     -0.076783      0.117781
      9.68534      1.50351      1.91473         0.055590      0.109442      0.061992
      9.04986     19.09981      2.27120        -0.437667      0.029515     -0.190714
     11.44241     20.52632     18.38420         0.102533     -0.158049      0.236207
      7.08302      7.65753     17.50171         0.116273     -0.342058     -0.138572
      7.12924      8.59721     16.48924        -0.030209      0.057390     -0.239472
      7.23480      9.96219     16.78913        -0.047802      0.037223     -0.250341
      7.17035      8.03553     18.83171         0.252229      0.007230     -0.042282
      7.20665      9.39561     19.13096         0.107232      0.009699     -0.097487
      7.22788     10.40631     18.13323         0.149846     -0.056572     -0.015969
      6.81964      6.31124     16.92330         0.297080      0.162628     -0.159339
      7.01571      7.85378     15.17921         0.232631     -0.225621      0.317170
      7.24985     11.86342     18.52139         0.040317      0.100654     -0.075637
      7.38438     12.94394     17.60539        -0.097648     -0.302238     -0.293728
      7.33560     14.26158     18.05527        -0.115751      0.196693     -0.333071
      7.14323     12.22435     19.87961         0.026928     -0.147047      0.067029
      7.14495     13.54126     20.33160         0.179055     -0.068985      0.117260
      7.20176     14.55781     19.39982         0.018201      0.423521      0.083099
      7.18718     16.03231     19.58874         0.184043     -0.214645     -0.729422
      7.44694     15.56391     17.31154         0.031576      0.112480      0.554047
      7.58752     18.03857     18.04788         0.098885     -0.310706     -0.168915
      8.29354     18.43534     16.90940        -0.009803      0.058553     -0.174442
      8.62403     19.77621     16.69865        -0.059088     -0.359242      0.044129
      7.24916     19.06967     18.94162         0.010784     -0.026152     -0.156403
      7.44093     20.43519     18.62295         0.085890      0.046913     -0.097023
      8.17466     20.87259     17.44738         0.128193     -0.005794     -0.176939
      8.64062      1.00502     16.95335         0.090671      0.190811     -0.131492
      9.18323      1.35966     15.64410         0.461521     -0.264236     -0.003688
      9.58871      2.67896     15.33323         0.144526      0.009157      0.196242
      8.64300      2.11907     17.81997         0.071476      0.561085      0.110193
      9.10246      3.42206     17.51902        -0.175784     -0.132034      0.173493
      9.57907      3.75059     16.23835         0.101680      0.497689      0.492425
      9.61008      0.44412     14.45012        -0.467686      0.124015      0.031155
      6.86440      0.09006     19.67893         0.309156      0.253344     -0.243755
      6.96337     10.88065      6.11655        -0.015962     -0.402852     -0.079871
      6.80666     11.32729      7.41485        -0.012062     -0.126779      0.310970
      6.90909     12.68315      7.73067        -0.026011      0.245041      0.209540
      7.27804     11.75669      5.09591        -0.012968      0.177820     -0.118730
      7.39364     13.11107      5.41613        -0.072840      0.115278     -0.102938
      7.18684     13.63987      6.71652        -0.099120     -0.176508      0.003084
      6.92701      9.40030      6.09339        -0.070691     -0.323590      0.006809
      6.67857     10.10878      8.29220         0.045982     -0.184365     -0.189209
      7.28465     15.12850      6.95169        -0.050305     -0.018958     -0.012281
      7.08861     15.77136      8.19840        -0.011380     -0.247748      0.169117
      7.21432     17.16203      8.30848        -0.007993      0.041949      0.402587
      7.61387     15.97843      5.86909        -0.152312      0.011164     -0.051144
      7.64012     17.36431      5.95905        -0.081337      0.050860     -0.065047
      7.44039     17.95438      7.20123         0.036959      0.400292      0.088620
      7.66716     19.36902      7.63465        -0.019897      0.424615      0.217811
      7.30620     18.04341      9.52611         0.129162      0.354589      0.103524
      7.62876     20.59169      9.93485        -0.170783     -0.305994     -0.104137
      7.15054     20.56242     11.24851        -0.065378      0.068360      0.194853
      7.00303      0.47232     12.02124         0.111594     -0.302002     -0.096141
      8.03715      0.60776      9.52443         0.057881      0.032323      0.092764
      8.07977      1.73325     10.39438         0.019263     -0.237286      0.085477
      7.52038      1.75861     11.72486         0.124270     -0.069361      0.126017
      7.44296      2.93888     12.77796         0.273474      0.108249     -0.637225
      6.89558      2.86595     14.10621        -0.007701      0.196284      0.437817
      6.76322      4.00511     14.93065        -0.348836      0.353109      0.431900
      7.90318      4.27442     12.51128        -0.120045      0.227305      0.022584
      7.65769      5.42957     13.29723         0.275373     -0.231599     -0.090308
      7.08370      5.32466     14.56425        -0.082899     -0.084902      0.156593
      6.23847      1.67849     14.79545        -0.383940     -0.289262      0.278057
      8.83053      2.86862      9.78150         0.067445      0.304078      0.356551
      4.08333     11.50254     10.74247         0.136469     -0.337573     -0.047867
      3.81914     12.36497      9.69796         0.038817      0.100439     -0.357691
      3.86309     13.74461      9.86705         0.087609      0.106839     -0.233251
      4.41807     11.99486     11.99062         0.138876     -0.039781      0.024470
      4.46382     13.37852     12.16545         0.148949      0.126552     -0.003368
      4.20002     14.30128     11.12115         0.093976     -0.050295     -0.148775
      3.84845     10.10709     10.30222        -0.027942     -0.004964     -0.323116
      3.42690     11.55146      8.50923         0.062647     -0.152837     -0.056091
      4.28595     15.78715     11.32901        -0.007825      0.234343     -0.198173
      4.07120     16.74266     10.29384        -0.097573     -0.192229     -0.271821
      4.12494     18.11519     10.56477        -0.003772      0.130749     -0.301710
      4.65379     16.30341     12.58720         0.158055     -0.064877      0.091758
      4.76773     17.66625     12.85007         0.119183      0.008436     -0.020665
      4.41725     18.56151     11.84506         0.008305      0.223255      0.003544
      4.31779     20.03374     11.86953         0.121628      0.877635      0.798097
      4.10305     19.34209      9.66533         0.149838      0.146674     -0.350695
      4.41188      0.65026     10.13645        -0.098865     -0.043342     -0.159428
      4.79029      0.97329      8.83077         0.086247      0.013351     -0.020218
      5.20166      2.27264      8.48989         0.015588     -0.250021      0.091445
      4.33213      1.76829     10.99004        -0.003237     -0.145609     -0.014214
      4.70838      3.09871     10.63766         0.231453     -0.092159     -0.160338
      5.30200      3.40723      9.33801         0.153584     -0.023294     -0.212859
      5.93780      4.77274      8.75865        -0.040703      0.014549      0.221921
      6.47202      5.08019      7.44290        -0.224235      0.128687      0.260676
      6.74677      6.41504      7.01410        -0.032406     -0.114358      0.112988
      5.89447      5.93899      9.54002         0.158512      0.484347     -0.165972
      6.18313      7.25732      9.14270         0.053528     -0.707949      0.117705
      6.56295      7.54281      7.83402         0.099378      0.375670      0.266837
      6.57352      4.04903      6.34296         0.038662     -0.110867      0.268628
      4.42105      4.01667     11.83152         0.056047      0.438044     -0.182163
      1.05852     14.29905      0.83462        -0.301895     -0.339615     -0.323601
      1.64043     14.71610      2.01576         0.133858     -0.008401      0.133924
      1.64423     16.09714      2.33085         0.119689      0.022011      0.292383
      0.62204     15.19404     21.12688        -0.010614      0.058048      0.079209
      0.68933     16.54897      0.16431        -0.037764     -0.191295     -0.176393
      1.12000     17.05619      1.41267        -0.235613     -0.116540     -0.148824
      1.01382     12.82173      0.77350        -0.078291     -0.195023     -0.021317
      2.26072     13.44918      2.62398         0.114804      0.037299      0.229509
      0.98090     18.55485      1.60901        -0.028232     -0.008676     -0.037016
      1.33077     19.25954      2.78378         0.173047     -0.203408      0.168848
      1.16672     20.64480      2.83598         0.075097      0.144142      0.162652
      0.48946     19.35034      0.53298         0.065546     -0.208550     -0.014712
      0.31471     20.72631      0.58894        -0.060126     -0.103964     -0.152549
      0.63659      0.09362      1.77188         0.011601      0.574869      0.173497
      0.61745      1.54435      2.08332        -0.066783      0.113714     -0.160671
      1.59531      0.38708      3.86603         0.040526     -0.043968     -0.042752
      1.40548      2.95407      4.05143        -0.018382     -0.196652     -0.004841
      1.96601      2.95568      5.31977         0.101270      0.034203      0.057017
      2.10238      4.13280      6.04747        -0.028511     -0.067159     -0.320572
      0.98003      4.21272      3.59863        -0.016726     -0.048346      0.137543
      1.13352      5.39367      4.36442        -0.100627      0.018216      0.006867
      1.78136      5.46130      5.65342        -0.189212     -0.307099     -0.417496
      2.12289      6.70790      6.49594        -0.118157      0.204430     -0.098760
      2.58850      6.66636      7.83578         0.256415     -0.132726      0.337074
      3.08874      7.75513      8.57118         0.120849     -0.095763      0.336119
      2.08050      8.07022      6.06927         0.085748      0.347464     -0.094136
      2.55429      9.18860      6.78963        -0.112470     -0.451644     -0.107815
      3.08894      9.05382      8.07915        -0.017223      0.354448      0.133621
      2.85426      5.39288      8.56536        -0.232930      0.258265     -0.141108
      0.44692      6.56258      3.71353        -0.421928     -0.050359      0.233058
      4.69622     14.09865      0.68392         0.046185     -0.151998      0.131540
      4.05270     14.99946     -0.14879        -0.046499      0.004630     -0.142939
      4.04868     16.38466      0.16369        -0.087710      0.073969     -0.188050
      5.39356     14.54791      1.79846        -0.108864     -0.044709      0.125539
      5.40123     15.91189      2.08445        -0.011556      0.142809      0.186935
      4.71376     16.89695      1.32040         0.075814     -0.060915      0.175107
      4.54078     12.70297      0.18577        -0.283951      0.067050     -0.195216
      3.47657     14.15632     19.96823         0.079511     -0.170457      0.368962
      4.75767     18.37062      1.80483         0.055219     -0.253921     -0.067540
      4.12064     19.47518      1.17834        -0.066633      0.015702     -0.243555
      4.28527     20.78725      1.66734        -0.139712      0.190114     -0.214075
      5.52259     18.70150      2.95880        -0.077089     -0.241426     -0.053419
      5.69846     19.99431      3.44364        -0.116941      0.147556      0.073867
      5.06704     21.03664      2.77992         0.056256      0.246493      0.122788
      5.12199      1.24145      3.05395         0.167125      0.383186      0.147638
      3.79157      0.87860      1.17781         0.101192      0.086294      0.015098
      3.98820      3.33873      2.04511         0.037634      0.095165      0.199944
      3.07523      3.92779      1.15855        -0.120207     -0.319812     -0.317950
      2.76877      5.30707      1.15107         0.186277     -0.290923     -0.155162
      4.47026      4.26508      2.98755        -0.117451      0.186717     -0.224491
      4.20019      5.65593      2.90721         0.031158      0.115892     -0.382500
      3.39699      6.33069      1.93141         0.121477      0.262472     -0.051853
      3.16240      7.96849      1.83562        -0.046252      0.103845      0.062346
      2.19141      8.57555      0.96990        -0.060699     -0.097907      0.042590
      1.84758      9.94135      0.94690        -0.338644     -0.171233      0.018539
      3.73290      9.03355      2.65136         0.055058     -0.164077     -0.261508
      3.28696     10.37851      2.72996         0.414765      0.020122     -0.126220
      2.31732     10.89035      1.85912        -0.125877      0.409640     -0.132058
      1.36420      7.75915      0.02153        -0.397001     -0.431181      0.226091
      4.87723      6.43959      3.95921         0.067883     -0.020706      0.367907
     18.15870     17.33144     13.53342        -0.094209     -0.297149      0.150869
     19.18924     17.80846     14.32366         0.168756      0.000384      0.312588
     19.45377     19.17650     14.42761         0.059966      0.155618      0.232124
     17.38107     18.21237     12.79888        -0.049567     -0.025259     -0.116960
     17.62957     19.58130     12.92150        -0.024982      0.150235      0.034469
     18.64725     20.12670     13.74672        -0.075751     -0.100913      0.174296
     18.10018     15.84484     13.64659         0.327378      0.250453      0.154734
     19.86599     16.62643     14.96104        -0.006222     -0.152794     -0.087181
     18.77082      0.36272     13.96794        -0.008901      0.012818      0.229114
     19.76093      0.95714     14.79929         0.049915     -0.362226      0.097864
     19.70476      2.31526     15.11683         0.324770     -0.030722      0.354041
     17.79864      1.25229     13.45518        -0.073688     -0.038584     -0.139505
     17.78682      2.62537     13.71101        -0.083417      0.045239     -0.087935
     18.75285      3.14783     14.55692        -0.071897      0.468718      0.210229
     18.96146      4.54326     15.05918         0.227771      0.058430      0.190219
     20.50347      3.12696     16.11137        -0.277666      0.419200     -0.095843
     20.64825      5.66212     16.64508         0.074676     -0.248208     -0.009009
      0.70207      5.61776     17.13739        -0.268196      0.168179     -0.125248
      1.36418      6.79338     17.51635        -0.588126      0.030200      0.150324
     20.03420      6.92061     16.73744        -0.525274     -0.184072     -0.263363
     20.63721      8.03775     17.35469        -0.005551      0.229660      0.199710
      0.76933      8.06177     17.75071         0.517448     -0.308952      0.195099
      1.66472      9.19827     18.38992        -0.249450      0.157994      0.208182
      2.99257      9.09869     18.98083        -0.169026      0.221235     -0.252477
      3.66359     10.23370     19.56697        -0.383619     -0.249164     -0.115173
      1.14518     10.50235     18.58844         0.380238      0.302926      0.097679
      1.85002     11.61828     19.10089        -1.092996      0.189727     -0.290805
      3.12726     11.53672     19.62116         0.141964      0.164756      0.190564
      4.00620      7.93519     18.86958         0.402302      1.093025      0.030209
     19.62529      9.14698     17.57804        -0.095567      0.307656      0.008019
      2.00687     18.17676     14.11521         0.033564     -0.224501     -0.221592
      1.28289     19.11365     13.40059        -0.406997      0.175146     -0.157953
      1.35943     20.46824     13.72099         0.002276      0.274172     -0.021701
      2.94496     18.58395     15.05681        -0.117358     -0.030758      0.115890
      3.10706     19.95030     15.29402        -0.095710      0.147861      0.248440
      2.25700     20.93424     14.71358         0.112165     -0.058551     -0.110410
      1.69794     16.82135     13.59350        -0.352311      0.569826      0.176839
      0.47028     18.39571     12.35482         0.087122     -0.056914      0.280396
      2.41368      1.14032     15.01858        -0.142399      0.278049     -0.195328
      1.76619      2.16096     14.26510        -0.292252     -0.362129     -0.127506
      2.04429      3.50361     14.49759        -0.559427      0.145081     -0.387773
      3.29291      1.59260     16.01927        -0.092059      0.043773      0.223451
      3.63072      2.94400     16.19946        -0.099570     -0.153086      0.398441
      3.01870      3.88882     15.40193        -0.214706      0.470745     -0.070442
      3.17734      5.36411     15.30365         0.578636      0.712297      0.517826
      1.39906      4.74650     13.92828         1.157092     -0.118167      0.880688
      1.65724      7.26490     14.49996         0.126012     -0.028914     -0.040441
      0.37165      7.54316     14.04045        -0.247595      0.064802     -0.123290
     21.07048      8.81915     14.12955        -0.027743      0.078786      0.076046
      2.34809      8.38604     15.02531        -0.062614     -0.124814     -0.026870
      1.79162      9.69812     15.07176        -0.032592     -0.276906     -0.129467
      0.43201      9.99018     14.61811        -0.013662      0.197494     -0.104369
     20.89613     11.35028     14.58731        -0.031152     -0.155075      0.115539
     19.53405     11.64337     14.14403        -0.099040      0.327984     -0.000409
     19.01926     12.96112     14.11142        -0.064319      0.055594      0.072192
      0.28761     12.54299     14.96362        -0.063098      0.045723      0.011142
     -0.25731     13.82846     15.04348         0.013709     -0.056366      0.012973
     19.70483     14.08475     14.59627         0.111039      0.155409     -0.050955
     18.47711     10.69313     13.58798         0.341521      0.149771      0.083043
      2.81585     10.69019     15.60751        -0.284161      0.212667     -0.245332
     16.09202      0.42690      5.22383         0.047602     -0.372064     -0.128968
     16.87611      0.86908      6.27253         0.239085     -0.120248      0.186253
     16.96476      2.23158      6.57823         0.052973      0.192627      0.278179
     15.31484      1.31294      4.51330         0.000075      0.076058     -0.173400
     15.37806      2.66656      4.83836         0.026617      0.087312     -0.121794
     16.21990      3.19177      5.83798        -0.021001     -0.065690      0.048278
     16.35034     20.24703      4.95527         0.311435      0.017553      0.216807
     17.57503     20.91547      6.82853        -0.110102     -0.115458     -0.192226
     16.27098      4.69028      6.05286        -0.039837     -0.014448      0.107511
     17.09681      5.31842      7.01457        -0.015959     -0.231888      0.197284
     17.03487      6.70032      7.21682         0.133737     -0.032317      0.425585
     15.42983      5.56052      5.31257        -0.020541     -0.117178      0.013227
     15.41203      6.94316      5.48191        -0.071383     -0.007470     -0.078305
     16.23538      7.50981      6.43590        -0.014128      0.431628      0.123374
     16.41171      8.93346      6.84676         0.091112      0.253092      0.047058
     17.62154      7.56233      8.29666        -0.066552      0.205121      0.251500
     17.75752     10.12768      8.67303         0.036246     -0.361966     -0.063665
     18.80725     10.01328      9.57758         0.238803      0.159277      0.160621
     19.41805     11.14577     10.13401        -0.269140     -0.223977     -0.036073
     17.32556     11.44410      8.43661         0.036371      0.008774      0.144288
     17.84580     12.56501      9.13403        -0.110487     -0.080900     -0.107861
     18.97410     12.47912     10.04216        -0.081128     -0.038044      0.040042
     19.73785     13.58400     10.81907         0.172239     -0.161513      0.080299
     21.01395     13.45025     11.52637        -0.209307      0.449624     -0.057451
      0.40715     14.58260     12.04928         0.256046      0.007785      0.262256
     19.26064     14.92060     10.88160         0.019408     -0.025686     -0.082531
     19.96665     16.04493     11.33793         0.091087      0.065638      0.167935
     21.20746     15.89940     11.95961         0.098741     -0.081128      0.084934
      0.70374     12.26279     11.68537        -0.006346      0.185047     -0.183167
     17.07259     13.82262      8.78980         0.228409     -0.082749      0.180768
     20.40618      1.32015      6.10263        -0.186289     -0.142165      0.008381
     19.83577      2.36865      5.39049        -0.170449      0.075907     -0.181842
     19.84983      3.67450      5.85263        -0.110500     -0.049713     -0.066857
     20.91090      1.55514      7.37326         0.021791      0.088928      0.219551
     20.89263      2.87059      7.86032         0.014417     -0.060795      0.192184
     20.40564      3.97618      7.11802        -0.233988     -0.162707     -0.131652
     20.21534      0.06357      5.32183        -0.099179      0.129690     -0.113941
     19.13657      1.80454      4.19171        -0.079539      0.083900     -0.107595
     20.47996      5.39231      7.58956        -0.191662      0.145507     -0.053304
     20.10210      6.44425      6.73379        -0.267298     -0.201934     -0.081988
     20.37022      7.76496      7.05974        -0.248079      0.129382     -0.153259
     -0.27836      5.77022      8.84569        -0.006624     -0.011300      0.302621
      0.09127      7.08719      9.14596        -0.056587     -0.097602      0.325928
     21.05786      8.07385      8.21664        -0.004420      0.434308      0.111463
      0.08481      9.52543      8.20991         0.312807      0.715117      0.647859
     20.05138      9.03449      6.33901        -0.344381      0.441867     -0.170220
     20.44597     11.52357      6.85712        -0.081341     -0.302220     -0.012482
     19.55133     11.92240      5.86255        -0.031088      0.059888     -0.044935
     19.21801     13.26213      5.65541         0.129180     -0.122038      0.108811
     21.00416     12.57452      7.60212         0.031128      0.006150     -0.124222
     20.72957     13.93202      7.32654        -0.057442      0.028875     -0.204605
     19.76330     14.37888      6.33901        -0.045691     -0.035921     -0.190354
     19.24308     15.81568      6.04141         0.126795      0.074864      0.026431
     18.39241     16.24896      4.95315         0.145236      0.246442      0.072283
     17.87581     17.56525      4.87290         0.034498      0.197389      0.060596
     19.51319     16.90351      6.91924        -0.123057      0.174944     -0.053634
     18.91348     18.17093      6.90335         0.167495     -0.273097      0.027926
     18.02507     18.52836      5.88830         0.014655      0.123848      0.120870
     17.81721     15.36534      3.86410         0.300665     -0.083301      0.019856
      0.36756     14.85279      8.10983        -0.234241      0.131331     -0.279999
     12.60624      5.24486      4.06080         0.001636     -0.030219      0.130582
     13.03257      3.74175     20.58618         0.176394      0.073442     -0.061518
     12.92866      6.12613     21.11012         0.013230      0.120808     -0.135937
     12.68878      7.46311      4.40623         0.082641     -0.083234      0.066069
     13.18863      7.91128      0.13503         0.036557     -0.056879     -0.164218
     13.52066     10.31496      0.40752         0.078532      0.048298     -0.163956
     13.15272     13.52442      8.53943         0.040682     -0.083900      0.354988
     13.16676     11.65603      7.07693        -0.004863     -0.058266      0.300419
     14.30161     14.18409      3.83825        -0.062209     -0.088769      0.167156
     12.94667     17.17022     11.43435         0.024769     -0.132303     -0.030223
     14.86640     17.64615      6.99648         0.137784     -0.160284      0.055409
     14.79015     19.53960      8.42049         0.085815     -0.335964      0.021838
     10.04625      6.86872      3.28260        -0.176619      0.068408     -0.197046
      9.61956      3.49669      6.88685         0.156694      0.007035      0.062622
      9.69260      5.86615      7.47633         0.185243      0.084898      0.138502
     10.24396      8.80588      3.80052        -0.073276      0.060694     -0.072803
      9.74926      7.71603      7.95463         0.052978     -0.073940      0.076939
      9.91602     10.07325      8.61629        -0.023491     -0.008716     -0.011830
     12.23450     15.81833      2.49216        -0.105916      0.008391     -0.078810
     11.44740     13.62885      2.99207         0.062891      0.179193     -0.058189
     10.45447     14.92307      6.93408        -0.130931      0.075552     -0.142181
     13.12338     20.24530      1.10279         0.100284      0.027494      0.131555
     11.61151     19.19604      5.60773         0.020011      0.075927      0.015326
     12.00477      0.19526      5.04517        -0.024367     -0.109120      0.074276
     10.07605      9.20615     17.30218         0.079735     -0.105090      0.241185
     10.27196      7.75541     12.55386         0.190184      0.021793      0.034039
     10.23810     10.12236     13.10198         0.072920     -0.046026      0.050022
     10.12159     11.39908     17.69184         0.174789     -0.047149      0.181290
     10.52307     11.99499     13.42446         0.047182     -0.078950     -0.030099
     10.75833     14.39851     13.76850         0.074124      0.011476     -0.131782
      9.48758     17.74264      0.39407        -0.139145     -0.093881      0.309593
      9.96502     15.79852     20.37634        -0.159662      0.157668      0.115617
     11.29182     18.29613     17.17678         0.165292     -0.034226      0.211274
      9.17844      0.05648      3.37931        -0.173396      0.005793     -0.162116
     11.18464      0.69424     20.31166        -0.184336     -0.137502     -0.021754
     10.41824      2.61927      0.23733         0.165544     -0.191147     -0.160246
      7.35345     10.68101     15.98432        -0.219116      0.096631     -0.224626
      7.11014      7.28762     19.61800         0.156585     -0.023499      0.063977
      7.15327      9.65485     20.18359         0.174932      0.107951      0.114975
      7.54934     12.74954     16.54880        -0.121925      0.024221     -0.183775
      7.00028     11.46221     20.63684         0.144498     -0.121342      0.075484
      7.09386     13.75438      0.13623         0.092518      0.009292     -0.000729
      9.34401     19.95024     15.91922        -0.026781     -0.142663     -0.044196
      8.64870     17.68489     16.20488         0.061026      0.149697     -0.007931
      6.90813     18.80686     19.94106        -0.338511      0.059105     -0.208848
      9.87338      2.84888     14.30954         0.353674      0.211680     -0.161887
      8.30840      1.99129     18.84817         0.009481      0.039438     -0.233786
      9.04492      4.20461     18.28461         0.006362     -0.341252     -0.076059
      6.81218     12.99820      8.76582        -0.045165      0.017876      0.181759
      7.49885     11.38888      4.09055        -0.124738      0.070407      0.011204
      7.71633     13.76544      4.61108        -0.128578      0.108166     -0.079572
      6.88255     15.18670      9.08917        -0.011670     -0.095236      0.227268
      7.93749     15.55258      4.92631        -0.164635     -0.063697     -0.207734
      7.94581     17.95447      5.09984        -0.096584      0.079476     -0.029604
      6.40034      0.30506     12.89757         0.231873      0.039341      0.067163
      6.84288     19.59446     11.64540        -0.083382      0.226315      0.220648
      8.30164      0.75880      8.48858         0.304585     -0.052263     -0.138607
      6.35956      3.90639     15.93813         0.089118     -0.193685     -0.264293
      8.46779      4.52455     11.61584        -0.242532     -0.322778      0.189253
      7.91340      6.42633     12.92905         0.181807     -0.247433     -0.200756
      3.58673     14.37937      9.03407         0.070251      0.110226     -0.206812
      4.58591     11.31282     12.81989         0.123207      0.037972     -0.007108
      4.68753     13.73710     13.16499         0.070210      0.078402      0.123928
      3.87654     16.40101      9.27902        -0.073440      0.067173     -0.132031
      4.83658     15.61477     13.40687         0.190242      0.008871      0.059395
      5.16011     18.00397     13.81066        -0.156887      0.051431     -0.065190
      5.47161      2.33749      7.44968         0.053039      0.039027      0.158591
      4.82056      0.17608      8.08784         0.008350      0.232623     -0.170931
      4.05804      1.60031     12.02422        -0.231281     -0.067228     -0.098944
      7.03374      6.59276      5.98237         0.134690     -0.192262      0.128452
      5.50221      5.88539     10.52849         0.085693      0.012780      0.266391
      6.07942      8.05602      9.86301        -0.119243      0.045759      0.235162
      2.07967     16.45018      3.26436         0.017741     -0.101411      0.179860
      0.31499     14.85405     20.13958        -0.199193     -0.040699      0.010690
      0.41875     17.23128     20.62320        -0.138255     -0.083058      0.000600
      1.78443     18.74880      3.62823        -0.013979     -0.098332      0.212041
      0.26896     18.89763     20.83621        -0.121943     -0.111608     -0.160957
     -0.00145      0.04258     20.97897        -0.118604     -0.023868     -0.040817
      2.48203      3.88679      7.00067         0.172597      0.055703      0.203591
      2.29409      2.00797      5.74997        -0.023115      0.283032      0.154323
      0.49751      4.28521      2.63330        -0.103958     -0.041342      0.020169
      3.49226      7.58347      9.57343        -0.336216      0.130439     -0.376906
      1.67197      8.35563      5.10869         0.064478     -0.215643     -0.054700
      2.46700     10.18908      6.38278        -0.073762      0.014674     -0.345768
      3.49910     17.06998     20.78275        -0.024740      0.066772     -0.219825
      5.89575     13.83170      2.45454         0.010002      0.094374     -0.014615
      5.96683     16.20343      2.96823        -0.061626      0.043656     -0.001308
      3.49377     19.31527      0.30803        -0.069795      0.026669     -0.274743
      6.07511     17.93032      3.48441        -0.070127     -0.124686      0.066486
      6.34556     20.19642      4.29627        -0.011218     -0.047772      0.114239
      1.92212      5.47036      0.51519         0.098610      0.272642     -0.241557
      2.52401      3.25389      0.48911         0.042340      0.471957      0.015783
      5.00557      3.91073      3.85030         0.356318     -0.056569      0.053539
      1.15018     10.25017      0.18509        -0.269316      0.044541     -0.031114
      4.58049      8.88726      3.31263        -0.044828     -0.209935     -0.293099
      3.78677     11.07630      3.41292         0.012636     -0.352734     -0.008475
     20.29000     19.49914     15.04075         0.029530      0.050738      0.224417
     16.61697     17.83484     12.11872        -0.149235      0.067854      0.044156
     16.97318     20.23797     12.36053        -0.019565      0.177643     -0.143643
     20.57499      0.35390     15.19467        -0.002459     -0.070519      0.255061
     16.99504      0.87219     12.83560        -0.149249     -0.122156     -0.138522
     17.01409      3.26255     13.28113        -0.022593      0.026423     -0.032202
      2.42307      6.66927     17.61228         0.005481      0.044344      0.175182
      1.21887      4.66393     17.16305         0.238249      0.022525     -0.024457
     19.04435      7.07117     16.28023         0.361660     -0.217090      0.421201
      4.60399     10.03839     20.04779         0.360444      0.045329      0.045753
      0.11770     10.71370     18.33673         0.019039      0.062381     -0.147656
      1.34397     12.59233     19.11328        -0.048937     -0.400850     -0.101677
      0.75905     21.18944     13.17729        -0.195711      0.020354     -0.204619
      3.56780     17.84402     15.56112         0.017476      0.045457      0.051412
      3.96770     20.24520     15.90281        -0.287266      0.060429      0.112018
      1.03359      1.88648     13.50673        -0.023650      0.126482     -0.107707
      3.83439      0.86090     16.61367        -0.105209      0.007388      0.206267
      4.38757      3.22717     16.93155        -0.196167      0.029983      0.050481
     20.04332      8.86537     13.80857        -0.093327      0.009510     -0.064021
     21.03190      6.72766     13.64389        -0.156418      0.159889     -0.065209
      3.32268      8.22063     15.49428        -0.185162      0.093677     -0.348441
     18.06429     13.12773     13.61637         0.059558     -0.049750      0.320878
      1.34607     12.51840     15.13097         0.086864      0.042456      0.199011
      0.37161     14.64668     15.37289         0.172872     -0.027274      0.063250
     17.64955      2.55986      7.35301         0.058085     -0.018376      0.280663
     14.69768      0.94637      3.69933         0.115970      0.052369     -0.012023
     14.75664      3.34110      4.26089         0.091708      0.074708     -0.058274
     17.79867      4.72711      7.59186        -0.007911     -0.085528      0.311776
     14.73638      5.15955      4.58289        -0.009358     -0.113386     -0.117193
     14.72575      7.56769      4.92042         0.081931     -0.012530     -0.151509
     20.31286     10.92195     10.67696        -0.044131     -0.038152      0.161708
     19.18131      9.01814      9.81257         0.126333      0.172300      0.145096
     16.58878     11.61346      7.66155        -0.183618      0.012379      0.121176
      1.33778     14.43369     12.59001        -0.136989      0.020140     -0.182736
     18.26871     15.15485     10.52147        -0.037135     -0.119640     -0.104007
     19.59083     17.05096     11.17494        -0.361755     -0.045923      0.002550
     19.39051      4.42675      5.22191        -0.077268      0.186803     -0.076774
      0.00685      0.72806      7.99325         0.093027      0.105106     -0.031475
      0.04196      3.03579      8.85424        -0.044079      0.001885      0.095182
     19.64918      6.22241      5.78199        -0.267276     -0.016101     -0.015102
     -0.08544      5.00185      9.58413        -0.061699      0.009184      0.220397
      0.63233      7.31064     10.07270        -0.271794      0.028874     -0.062558
     18.44863     13.37208      4.91573        -0.063318      0.168612     -0.048851
     19.07654     11.14165      5.27977        -0.170337      0.200743     -0.235725
      0.40146     12.34673      8.43274         0.140940     -0.027845     -0.190647
     17.20748     17.80766      4.05463         0.125542     -0.043189     -0.086025
     20.21164     16.79150      7.72666        -0.041754     -0.088986      0.009403
     19.14898     18.89314      7.68220         0.107154     -0.170962      0.068939
     13.92829     19.30259     10.78051        -0.105545     -0.113405     -0.083230
     18.95953     21.00595      3.59878         0.165188      0.027215     -0.112856
     12.75648      1.19773      2.65005         0.038728      0.245618      0.035459
     13.64555     11.59605      4.45030        -0.077655     -0.621929      0.213212
      9.53936      2.62583      2.81193         0.110469      0.123983     -0.108475
     10.48481     12.72836      5.34760         0.045865     -0.084679     -0.213689
      9.95851      5.13460     15.89976         0.042608      0.181619     -0.098076
     10.71285     15.65889     17.80432         0.074929     -0.307351      0.078264
      6.92832      6.43537     15.48923         0.212635      0.032888      0.010953
      7.35742     16.62934     18.29813         0.017372     -0.171710     -0.045206
      6.70409      8.93821      7.42397        -0.010009      0.151420     -0.043337
      7.58426     19.40411      9.07597        -0.224482     -0.294878      0.037585
      3.49687     10.16124      8.89671         0.080536      0.228971     -0.063831
      4.18001     20.52051     10.53679         0.020114     -0.236079     -0.079276
      1.90741     12.30627      1.76149         0.019029      0.052687      0.381213
      1.21732      1.70872      3.36394         0.084539     -0.177251      0.050892
      3.72035     12.73129     20.28551        -0.031713      0.103393     -0.073738
      4.27474      1.90849      2.10092        -0.057454     -0.345692     -0.203827
     19.20275     15.43628     14.46478         0.256462      0.223262      0.252464
     20.03473      4.50007     16.01242         0.062260     -0.182009     -0.086540
      0.69439     16.97877     12.57100        -0.184508      0.071675     -0.204572
      2.12046      5.88639     14.50502        -0.336829     -0.120363     -0.145183
     17.33589     19.80750      5.90431         0.052951      0.182344     -0.103081
     17.26391      8.94343      7.99132         0.049503     -0.148979      0.017285
     19.42243      0.42355      4.20211         0.190003      0.529174      0.465626
     20.68368     10.11435      7.08789        -0.357153     -0.223108     -0.206821
     12.39907      2.27934      4.73227        -0.116329      0.043937      0.298833
     13.49272      1.02421      0.41109         0.212889     -0.322556     -0.416786
     13.26550      9.85187      6.03824        -0.120243     -0.036177     -0.111817
     13.81557     12.58181      2.30914         0.151384      0.410237     -0.211131
      9.70414      4.48726      1.34170        -0.046315      0.020967     -0.230441
      9.29848      1.49083      4.88885         0.091821      0.151413     -0.287037
     10.42919     11.69905      3.20758        -0.056772      0.018170     -0.249942
     10.18403     12.88928      7.68345        -0.072344      0.466185      0.569090
      9.85489      6.25296     17.98854        -0.099181     -0.040386      1.297391
     10.71490      4.92504     13.67986         0.693257     -1.478848     -1.919366
     10.44391     13.90031     19.40113         0.076710      0.000179      0.029635
     10.97812     16.63271     15.66950         0.097459      0.350548     -0.160881
      7.01532      8.32527     14.06117        -0.021855      0.096798     -0.473953
      6.55718      5.30322     17.54976         0.026202     -0.385551      0.062700
      7.61752     15.72397     16.12008        -0.090505      0.026557     -0.526062
      7.07550     16.63804     20.63080        -0.100898      0.473961      0.769799
      6.62170     10.08883      9.50932         0.101022      0.031106      0.123097
      7.11119      8.68678      5.11903        -0.040039     -0.006583     -0.015601
      7.21734     17.70552     10.69499         0.090204     -0.116449     -0.049036
      7.91668     20.33187      6.92849        -0.183959      0.006434     -0.014244
      3.10498     11.96110      7.40605         0.037502      0.047837     -0.128283
      3.91237      9.10039     10.98259        -0.001000     -0.257151      0.150049
      4.13656     19.37220      8.44087        -0.215379     -0.082287      0.566528
      4.32975     20.74438     12.88053         0.041836     -0.658093     -0.980645
      2.96969     13.38279      3.60996        -0.070818     -0.169297     -0.007053
      0.28525     12.17992      0.03359        -0.081599     -0.155837     -0.028216
      2.18592      0.15245      4.90521         0.065056      0.054893     -0.050534
      0.18343      2.44053      1.37670        -0.054429      0.076613      0.017199
      2.94171     14.55039     18.95804        -0.285383      0.106698     -0.477781
      5.03894     11.70331      0.67425         0.174742     -0.470683      0.251188
      3.12617      1.10859      0.18653        -0.128587      0.011234     -0.209396
      5.79440      1.79264      3.91088        -0.041962     -0.029386     -0.070855
     -0.44718     16.64415     15.73597        -0.147606      0.033102      0.008848
     17.28504     15.10683     13.13869        -0.597668     -0.420420     -0.212564
      0.08234      2.73554     16.90030         0.109026     -0.162192      0.158985
     18.36476      5.55295     14.73102        -0.220331      0.129995     -0.136599
     21.02811     18.88772     11.48500         0.036541     -0.197264      0.024582
      2.19458     15.78218     13.98027         0.066992     -0.594805      0.072483
      0.45365      4.80313     13.18201        -0.765125      0.037850     -0.703908
      4.06360      6.05311     15.81191        -0.523917     -0.337383     -0.240367
     18.19038     20.83660      7.87277         0.265562      0.006004      0.291710
     15.86875     19.57116      4.06558        -0.106692     -0.238166     -0.316643
     18.19973      7.18948      9.30340        -0.084299     -0.030704      0.000103
     15.95275      9.93131      6.31484         0.119947      0.005130     -0.127644
     18.41761      2.38153      3.38920         0.072802     -0.061502     -0.054984
     20.65246     20.20547      5.53026         0.010162     -0.311994      0.132029
     19.34074      9.18013      5.34790         0.324660     -0.214817      0.538225
      0.76436     10.14544      9.02631        -0.632872     -0.416352     -0.442271
     13.92847     17.50860      5.29585        -0.085683      0.191284     -0.020291
     15.84420     16.53964      5.60226        -0.039221      0.073476      0.040563
     14.71244     16.23572      3.74046         0.002883      0.066043      0.023798
     11.97891     15.38638     11.44807        -0.178220     -0.151157      0.103231
     11.42529     14.60356      9.49802         0.012575     -0.070415      0.019824
     13.26880     13.91595     10.51192        -0.001566     -0.143167      0.062501
     11.91055     18.00694      7.25518         0.196078      0.030573      0.116316
      9.96860     18.44839      6.42822        -0.094220      0.128681      0.003131
     10.21767     16.77905      7.81260        -0.067013      0.010162      0.171119
     13.13811     18.51385      0.08857         0.216635     -0.121009     -0.142561
     14.05376     17.05935      1.42421         0.325964     -0.152158     -0.013712
     11.95112     16.90056      0.89260        -0.273692     -0.534501     -0.215770
     10.59665      0.32497     18.49800         0.051586      0.269016     -0.238679
     12.62988     -0.32802     18.92711         0.319697     -0.009140      0.100149
     11.66096     20.37909     17.05210         0.212152     -0.057690     -0.103893
      8.79480     19.37225      3.59357        -0.103201     -0.164798     -0.145031
      7.83683     18.74487      1.71289         0.194472      0.060814     -0.162172
      9.76131     17.94638      2.31284         0.182759     -0.177370     -0.102592
      7.84603      0.76169     20.36651        -0.105101      0.110794      0.185456
      6.03564      1.03970     19.15936        -0.145406      0.127408     -0.171107
      6.14928     20.70016     20.63421        -0.170630     -0.103140      0.065980
      9.65092      1.12824     13.25527         0.379316     -0.105193      0.396910
     10.87081     21.22039     14.65042         0.178892      0.013012      0.024880
      8.83090     20.61743     14.16732         0.199687     -0.020905     -0.195205
      8.13062      4.04900      9.77256         0.259892      0.033847     -0.273050
     10.00597      3.14441     10.43480         0.098739     -0.088906      0.133081
      9.16114      2.63933      8.49259         0.367293     -0.124242     -0.112176
      6.03281      1.90385     16.14949         0.164554     -0.129898     -0.558159
      5.03520      1.44519     14.20910        -0.037384      0.170040      0.227507
      6.79561      0.43738     14.79905         0.551022      0.039918      0.029753
      5.33533      5.00753     12.05315        -0.256023      0.013644      0.038868
      3.19944      4.65109     11.83481        -0.150295     -0.292255     -0.116209
      4.39801      3.33133     12.98158         0.072767     -0.297950      0.493538
      7.17231      4.52043      5.21997        -0.006434     -0.242663     -0.088460
      7.26306      2.92264      6.68901         0.285464      0.018816      0.062668
      5.33259      3.59417      5.98023        -0.154423     -0.239876     -0.112895
     -0.45896      7.22669      4.48946         0.106690     -0.003363     -0.085354
      1.31255      7.54410      3.35887        -0.080205      0.033882     -0.524435
     -0.28911      6.17416      2.64942        -0.173513      0.060809     -0.046102
      3.28757      5.60880      9.81492         0.045629      0.050962     -0.019377
      1.85794      4.45921      8.74010         0.080053      0.006411      0.030278
      3.81705      4.77068      7.84936         0.226015     -0.247556      0.044995
      6.04254      6.98357      3.47693        -0.186379      0.113588      0.078630
      4.10287      7.41878      4.51048         0.146959      0.129514      0.000384
      5.17639      5.69188      5.03585        -0.213743      0.216279     -0.155623
      0.50685      8.46198     20.50203        -0.060151      0.059927      0.241932
      2.16197      7.00012     -0.79107        -0.346487      0.210862     -0.309557
      0.54469      6.86354      0.65729        -0.048166      0.275539     -0.204644
     19.44221      9.41785     18.91041         0.048225     -0.112609     -0.041888
     19.98401     10.33846     16.99423        -0.138811      0.039740      0.005105
     18.38439      8.87641     17.06765         0.163426     -0.028302      0.301216
      4.87437      8.01179     19.94450        -0.296908     -0.215726     -0.166487
      3.77282      6.61943     18.76222        -0.257309     -0.447643      0.436880
      4.67124      8.22243     17.69714         0.082894      0.027392      0.123568
      3.37103     11.44226     14.59280        -0.006477      0.020141     -0.115583
      2.33180     11.59980     16.49272         0.104947      0.112421      0.096441
      3.86028     10.10994     16.23971         0.281613     -0.062336     -0.111567
     17.37860     11.33556     13.09432        -0.218342     -0.148623      0.073886
     18.93562      9.95713     12.53906         0.041237     -0.455646     -0.225342
     18.02344      9.82188     14.52531        -0.120605     -0.258381      0.210531
     16.28545     14.23678      9.83551        -0.017242      0.009517      0.102513
     17.86989     14.87872      8.46231         0.031655      0.238776     -0.075414
     16.24396     13.65593      7.72880         0.009462      0.075342     -0.084204
      1.70711     12.50246     12.59275        -0.152160     -0.122811     -0.314668
      0.21853     11.05569     12.06665        -0.179536     -0.202115      0.021265
      1.30280     12.04552     10.48940         0.210851      0.071151     -0.143951
      1.11799     15.63879      7.28047         0.145213      0.215108     -0.152507
     20.95682     15.69544      8.95405         0.272949      0.131121      0.072011
      1.23419     14.20431      8.91643         0.402797     -0.091393      0.029567
     17.13449     16.05256      2.91945         0.130000      0.001924     -0.276090
     18.76323     14.64816      3.18023         0.159442     -0.042764     -0.066444
     16.92162     14.44717      4.38415         0.048658      0.019953     -0.299008
 -----------------------------------------------------------------------------------
    total drift:                               -0.011301      0.011762      0.005185


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4561.9901115837 eV

  energy  without entropy=    -4562.1390126225  energy(sigma->0) =    -4562.03974526
 
 d Force = 0.1297806E+01[ 0.405E+00, 0.219E+01]  d Energy = 0.1304805E+01-0.700E-02
 d Force = 0.1299289E+04[ 0.129E+04, 0.130E+04]  d Ewald  = 0.1299319E+04-0.295E-01


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -1.304805  1 .order   -1.297806   -2.190788   -0.404823
  (g-gl).g = 0.765E+01      g.g   = 0.756E+01  gl.gl    = 0.736E+01
 g(Force)  = 0.756E+01   g(Stress)= 0.000E+00 ortho     =-0.438E-02
 gamma     =   1.03882
 trial     =   0.29007
 opt step  =   0.35398  (harmonic =   0.35582) maximal distance =0.05268767
 next E    = -4562.034787   (d E  =  -1.34948)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   41(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.3654703E-01  (-0.3713898E+01)
 number of electron    2498.0000130 magnetization 
 augmentation part      162.9343452 magnetization 

  free energy =  -0.456195355502E+04  energy without entropy=  -0.456210264725E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   41(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3496
 total energy-change (2. order) :-0.8273514E-01  (-0.9916901E-01)
 number of electron    2498.0000130 magnetization 
 augmentation part      162.9423032 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8575
  0.8575

  free energy =  -0.456203629016E+04  energy without entropy=  -0.456218506172E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   41(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3704
 total energy-change (2. order) : 0.2606684E-02  (-0.1959299E-02)
 number of electron    2498.0000131 magnetization 
 augmentation part      162.9341948 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3916
  1.1074  1.6758

  free energy =  -0.456203368348E+04  energy without entropy=  -0.456218258760E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   41(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3496
 total energy-change (2. order) :-0.7211061E-03  (-0.1570971E-02)
 number of electron    2498.0000130 magnetization 
 augmentation part      162.9268237 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2771
  2.1820  0.9036  0.7457

  free energy =  -0.456203440458E+04  energy without entropy=  -0.456218309697E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   41(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) :-0.2998802E-03  (-0.3484446E-03)
 number of electron    2498.0000130 magnetization 
 augmentation part      162.9290236 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2808
  2.3398  0.8897  0.9469  0.9469

  free energy =  -0.456203470446E+04  energy without entropy=  -0.456218358318E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   41(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) : 0.1514338E-03  (-0.1581241E-03)
 number of electron    2498.0000130 magnetization 
 augmentation part      162.9302177 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2323
  2.4038  1.0845  1.0845  0.7943  0.7943

  free energy =  -0.456203455303E+04  energy without entropy=  -0.456218330602E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   41(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) :-0.1422630E-04  (-0.4948972E-04)
 number of electron    2498.0000131 magnetization 
 augmentation part      162.9305886 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2156
  2.4107  1.1896  1.1896  0.9292  0.9292  0.6450

  free energy =  -0.456203456726E+04  energy without entropy=  -0.456218344312E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   41(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3496
 total energy-change (2. order) : 0.3870548E-05  (-0.6221472E-05)
 number of electron    2498.0000131 magnetization 
 augmentation part      162.9305886 magnetization 

  free energy =  -0.456203456338E+04  energy without entropy=  -0.456218340380E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.9910       2 -56.1466       3 -56.0446       4 -55.7731       5 -55.7816
       6 -56.2922       7 -58.0911       8 -58.3010       9 -56.2808      10 -55.9602
      11 -56.0230      12 -55.7836      13 -55.7547      14 -55.9443      15 -58.0311
      16 -58.1107      17 -56.3053      18 -54.9225      19 -54.8663      20 -55.1247
      21 -55.6241      22 -55.6619      23 -55.7419      24 -55.6379      25 -54.9758
      26 -54.8273      27 -54.9615      28 -54.9447      29 -60.4119      30 -60.3662
      31 -55.5863      32 -55.7968      33 -55.6854      34 -55.2243      35 -55.4554
      36 -55.9418      37 -57.7702      38 -58.1000      39 -56.0433      40 -55.7544
      41 -55.8987      42 -55.6807      43 -55.7186      44 -55.8545      45 -58.0532
      46 -58.2128      47 -56.4617      48 -55.1592      49 -55.0043      50 -55.2987
      51 -55.9055      52 -55.8812      53 -55.7683      54 -55.7137      55 -55.0902
      56 -54.8450      57 -54.9612      58 -56.3267      59 -60.3993      60 -60.6267
      61 -55.8849      62 -55.9726      63 -55.8503      64 -55.6898      65 -55.6859
      66 -56.1737      67 -58.0542      68 -58.1540      69 -56.2323      70 -55.8842
      71 -56.0332      72 -55.7179      73 -55.6538      74 -55.8944      75 -58.0353
      76 -58.2399      77 -56.4601      78 -55.0908      79 -55.0103      80 -55.2886
      81 -55.8064      82 -55.8596      83 -55.9387      84 -55.9382      85 -55.1402
      86 -55.0906      87 -55.1940      88 -56.4413      89 -60.7307      90 -60.4421
      91 -55.6242      92 -55.7482      93 -55.6430      94 -55.3936      95 -55.4778
      96 -55.9702      97 -57.8314      98 -57.9882      99 -56.0805     100 -55.8350
     101 -55.9742     102 -55.5704     103 -55.6368     104 -55.8726     105 -58.0776
     106 -58.2452     107 -56.4865     108 -55.1368     109 -54.9852     110 -55.3810
     111 -55.9027     112 -55.8256     113 -55.7901     114 -55.8236     115 -55.1579
     116 -54.9388     117 -55.0292     118 -56.3734     119 -60.4957     120 -60.5766
     121 -55.8816     122 -55.9680     123 -55.8230     124 -55.7245     125 -55.7329
     126 -56.1317     127 -57.9823     128 -58.2141     129 -56.0496     130 -55.7218
     131 -55.8574     132 -55.5889     133 -55.5393     134 -55.7784     135 -57.8623
     136 -58.0212     137 -56.3839     138 -55.0478     139 -54.9512     140 -55.1996
     141 -55.7713     142 -55.8749     143 -55.9463     144 -55.9177     145 -55.1554
     146 -55.1357     147 -55.1821     148 -56.4068     149 -60.6081     150 -60.5343
     151 -55.5246     152 -55.6040     153 -55.4564     154 -55.2777     155 -55.3749
     156 -55.8339     157 -57.8323     158 -57.8485     159 -55.9138     160 -55.6800
     161 -55.9044     162 -55.4693     163 -55.5712     164 -55.7940     165 -57.9580
     166 -58.1910     167 -56.4617     168 -55.0950     169 -54.9309     170 -55.3028
     171 -55.9491     172 -55.9564     173 -55.8451     174 -55.7268     175 -55.2665
     176 -54.7430     177 -54.9759     178 -56.3641     179 -60.4230     180 -60.6009
     181 -55.8886     182 -56.0901     183 -55.9242     184 -55.6544     185 -55.6571
     186 -56.1812     187 -57.9889     188 -58.2232     189 -56.1851     190 -55.8102
     191 -55.9711     192 -55.7049     193 -55.6637     194 -55.8735     195 -58.0110
     196 -58.2280     197 -56.4700     198 -55.0156     199 -54.9672     200 -55.2926
     201 -55.8555     202 -55.9631     203 -55.8911     204 -55.8225     205 -55.1496
     206 -55.1907     207 -55.0908     208 -56.3905     209 -60.7429     210 -60.4987
     211 -55.9112     212 -56.0825     213 -55.9163     214 -55.6973     215 -55.6778
     216 -56.2010     217 -58.0513     218 -58.2866     219 -56.1030     220 -55.7707
     221 -55.8894     222 -55.5700     223 -55.4561     224 -55.7722     225 -57.9117
     226 -58.1257     227 -56.4430     228 -55.0309     229 -54.9996     230 -55.1611
     231 -55.6850     232 -55.9573     233 -56.0138     234 -55.6773     235 -55.1142
     236 -55.1356     237 -55.1720     238 -56.4596     239 -60.3746     240 -60.3335
     241 -55.8938     242 -55.9718     243 -55.8362     244 -55.6942     245 -55.7250
     246 -56.1717     247 -58.0028     248 -58.1597     249 -56.1692     250 -55.8358
     251 -55.9694     252 -55.6970     253 -55.6998     254 -55.8924     255 -57.9535
     256 -58.0881     257 -56.3554     258 -55.0633     259 -54.9072     260 -55.1869
     261 -55.7768     262 -55.8233     263 -55.8723     264 -55.9610     265 -55.3734
     266 -54.9573     267 -55.1221     268 -56.4362     269 -60.6355     270 -60.3602
     271 -55.8245     272 -55.9142     273 -55.7279     274 -55.6582     275 -55.6464
     276 -56.0148     277 -58.1194     278 -58.1896     279 -55.8276     280 -55.5843
     281 -55.6970     282 -55.4024     283 -55.3782     284 -55.6639     285 -57.8821
     286 -58.1160     287 -56.4192     288 -55.0075     289 -54.9508     290 -55.2879
     291 -55.8315     292 -55.8370     293 -55.8155     294 -55.7300     295 -55.0762
     296 -54.8724     297 -54.9649     298 -56.3208     299 -60.3819     300 -60.5171
     301 -55.8358     302 -55.9834     303 -55.8425     304 -55.5620     305 -55.6000
     306 -56.0902     307 -58.0437     308 -58.2419     309 -56.1248     310 -55.7893
     311 -55.9525     312 -55.6585     313 -55.6172     314 -55.8543     315 -57.9417
     316 -58.1113     317 -56.3987     318 -55.0097     319 -54.9087     320 -55.1983
     321 -55.7705     322 -55.8035     323 -55.9315     324 -55.9060     325 -55.1576
     326 -55.1245     327 -55.2024     328 -56.4376     329 -60.6293     330 -60.3736
     331 -55.7847     332 -55.8009     333 -55.6720     334 -55.6229     335 -55.5903
     336 -56.0326     337 -57.9778     338 -57.9413     339 -55.8635     340 -55.5344
     341 -55.7379     342 -55.4989     343 -55.5305     344 -55.7261     345 -57.8890
     346 -58.0139     347 -56.3744     348 -54.8980     349 -54.9090     350 -55.2173
     351 -55.7406     352 -55.8265     353 -55.7923     354 -55.7040     355 -55.1804
     356 -54.8423     357 -54.9551     358 -56.3635     359 -60.4162     360 -60.4959
     361 -39.1041     362 -38.8000     363 -38.9786     364 -39.0774     365 -39.0011
     366 -38.7740     367 -38.1817     368 -38.0946     369 -38.0853     370 -38.1267
     371 -38.1625     372 -38.1728     373 -38.7909     374 -38.3310     375 -38.7102
     376 -38.8383     377 -38.8589     378 -38.7708     379 -38.2282     380 -38.1532
     381 -38.2597     382 -38.0700     383 -38.2312     384 -37.9896     385 -38.8180
     386 -38.7355     387 -38.7611     388 -38.8878     389 -38.8336     390 -38.5896
     391 -38.3749     392 -38.1766     393 -38.1953     394 -38.0447     395 -38.2307
     396 -38.3009     397 -38.7503     398 -38.3758     399 -38.7196     400 -38.8782
     401 -38.6998     402 -38.7768     403 -38.3229     404 -38.1637     405 -38.3681
     406 -38.2476     407 -38.0525     408 -37.9116     409 -38.8064     410 -38.7752
     411 -38.9728     412 -38.7614     413 -38.9088     414 -38.6037     415 -38.1733
     416 -38.1593     417 -38.1541     418 -38.0692     419 -38.1610     420 -38.2622
     421 -38.5685     422 -38.2551     423 -38.5533     424 -38.6884     425 -38.5900
     426 -38.6418     427 -38.1545     428 -38.0728     429 -38.3101     430 -38.2031
     431 -38.1738     432 -38.0773     433 -38.7993     434 -38.6966     435 -38.9653
     436 -38.7673     437 -39.0221     438 -38.6732     439 -38.5404     440 -38.0779
     441 -38.2288     442 -38.1080     443 -38.2717     444 -38.1255     445 -38.8798
     446 -38.7742     447 -38.8484     448 -38.8006     449 -38.7668     450 -38.3839
     451 -38.1263     452 -37.8601     453 -38.1623     454 -38.1193     455 -38.0659
     456 -38.0934     457 -38.8923     458 -38.6812     459 -38.9010     460 -38.8969
     461 -38.9072     462 -38.6984     463 -38.3003     464 -38.2370     465 -37.9976
     466 -38.4550     467 -38.1287     468 -38.0857     469 -38.8930     470 -38.7331
     471 -38.6880     472 -38.7262     473 -38.5252     474 -38.3239     475 -38.1794
     476 -38.0639     477 -38.1271     478 -38.0009     479 -38.1649     480 -37.9987
     481 -38.8769     482 -38.7384     483 -38.8703     484 -38.8810     485 -38.9322
     486 -38.7699     487 -38.2256     488 -38.1410     489 -38.1392     490 -38.1652
     491 -38.2198     492 -38.3445     493 -38.8448     494 -38.5421     495 -38.6892
     496 -38.7312     497 -38.5825     498 -38.4870     499 -38.1795     500 -37.9227
     501 -38.1948     502 -38.1251     503 -38.1052     504 -37.9644     505 -38.2595
     506 -41.1811     507 -71.6400     508 -71.5531     509 -71.4679     510 -71.5696
     511 -71.3161     512 -71.5756     513 -71.3370     514 -71.5488     515 -71.5467
     516 -71.3771     517 -71.3230     518 -71.5219     519 -71.5650     520 -71.6882
     521 -71.5088     522 -71.5002     523 -71.5138     524 -71.4103     525 -71.6212
     526 -71.3944     527 -71.5603     528 -71.4954     529 -71.2101     530 -71.4770
     531 -76.9902     532 -76.7719     533 -76.8013     534 -76.6748     535 -76.7927
     536 -76.4142     537 -76.9528     538 -76.7558     539 -76.8931     540 -76.9265
     541 -76.9183     542 -76.6926     543 -76.6892     544 -76.5566     545 -76.9739
     546 -76.8146     547 -76.8938     548 -76.6606     549 -76.6843     550 -76.4875
     551 -76.5311     552 -76.5528     553 -76.8400     554 -76.5778     555 -76.7789
     556 -76.7060     557 -76.8973     558 -76.6676     559 -76.9436     560 -76.7535
     561 -76.7812     562 -76.5282     563 -76.8496     564 -76.6724     565 -76.7767
     566 -76.6024     567 -76.8714     568 -76.8549     569 -76.9725     570 -76.4683
     571 -76.9348     572 -76.7425     573 -76.7552     574 -76.5910     575 -76.5514
     576 -76.6235     577 -76.6715     578 -76.4328     579 -82.4773     580 -82.2891
     581 -82.4028     582 -82.4180     583 -82.2797     584 -82.2887     585 -82.4888
     586 -82.5258     587 -82.7003     588 -82.2894     589 -82.2484     590 -82.4588
     591 -82.4927     592 -82.2765     593 -82.4420     594 -82.6715     595 -82.4585
     596 -82.7910     597 -82.4251     598 -82.4917     599 -82.6847     600 -82.2899
     601 -82.3520     602 -82.3719     603 -82.5323     604 -82.3589     605 -82.7387
     606 -82.4319     607 -82.4401     608 -82.5297     609 -82.5512     610 -82.3114
     611 -82.6406     612 -82.4615     613 -82.2899     614 -82.2536     615 -82.4142
     616 -82.6265     617 -82.4250     618 -82.8894     619 -82.7773     620 -82.8326
     621 -82.2359     622 -82.3857     623 -82.4008     624 -82.4522     625 -82.4200
     626 -82.1755     627 -82.2088     628 -82.2743     629 -82.2410     630 -82.4077
     631 -82.7698     632 -82.2761     633 -82.3563     634 -82.4431     635 -82.5595
     636 -82.2896     637 -82.3400     638 -82.2891     639 -82.1902     640 -82.3473
     641 -82.3764     642 -82.4545     643 -82.6468     644 -82.4692     645 -82.3845
     646 -82.4768     647 -82.6264     648 -82.4034     649 -82.2983     650 -82.2711
 
 
 
 E-fermi :  -1.4477     XC(G=0):  -6.4487     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
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      2     -29.0866      2.00000
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     30     -26.7497      2.00000
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   1236      -2.1121      2.00003
   1237      -2.1066      2.00003
   1238      -1.8048      2.02998
   1239      -1.7206      2.06596
   1240      -1.6952      2.07087
   1241      -1.6787      2.06928
   1242      -1.6759      2.06851
   1243      -1.6428      2.04476
   1244      -1.6276      2.02258
   1245      -1.6116      1.98972
   1246      -1.6033      1.96839
   1247      -1.5933      1.93858
   1248      -1.5749      1.87105
   1249      -1.5723      1.86024
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   1320       2.3289     -0.00000
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   1323       2.4124     -0.00000
   1324       2.4191     -0.00000
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   1348       3.0254     -0.00000
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   1370       3.7822     -0.00000
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   1372       3.8290     -0.00000
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   1399       4.1920      0.00000
   1400       4.2132      0.00000
   1401       4.2276      0.00000
   1402       4.2466      0.00000
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   1404       4.2623      0.00000
   1405       4.2824      0.00000
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   1414       4.4035      0.00000
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   1422       4.5052      0.00000
   1423       4.5134      0.00000
   1424       4.5309      0.00000
   1425       4.5605      0.00000
   1426       4.5787      0.00000
   1427       4.5990      0.00000
   1428       4.6143      0.00000
   1429       4.6254      0.00000
   1430       4.6454      0.00000
   1431       4.6602      0.00000
   1432       4.6976      0.00000
   1433       4.7011      0.00000
   1434       4.7270      0.00000
   1435       4.7757      0.00000
   1436       4.7929      0.00000
   1437       4.8121      0.00000
   1438       4.8280      0.00000
   1439       4.8452      0.00000
   1440       4.8557      0.00000
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   1442       4.9000      0.00000
   1443       4.9157      0.00000
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   1447       4.9822      0.00000
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   1449       5.0135      0.00000
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   1454       5.0969      0.00000
   1455       5.1175      0.00000
   1456       5.1392      0.00000
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   1460       5.1732      0.00000
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   1477       5.3990      0.00000
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   1480       5.4297      0.00000
   1481       5.4360      0.00000
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   1498       5.5842      0.00000
   1499       5.5897      0.00000
   1500       5.5944      0.00000
   1501       5.6100      0.00000
   1502       5.6207      0.00000
   1503       5.6270      0.00000
   1504       5.6443      0.00000
   1505       5.6531      0.00000
   1506       5.6626      0.00000
   1507       5.6685      0.00000
   1508       5.6720      0.00000
   1509       5.6932      0.00000
   1510       5.7027      0.00000
   1511       5.7051      0.00000
   1512       5.7152      0.00000
   1513       5.7238      0.00000
   1514       5.7350      0.00000
   1515       5.7467      0.00000
   1516       5.7560      0.00000
   1517       5.7594      0.00000
   1518       5.7682      0.00000
   1519       5.7727      0.00000
   1520       5.7837      0.00000
   1521       5.8072      0.00000
   1522       5.8153      0.00000
   1523       5.8183      0.00000
   1524       5.8366      0.00000
   1525       5.8378      0.00000
   1526       5.8438      0.00000
   1527       5.8493      0.00000
   1528       5.8640      0.00000
   1529       5.8887      0.00000
   1530       5.8961      0.00000
   1531       5.9034      0.00000
   1532       5.9148      0.00000
   1533       5.9216      0.00000
   1534       5.9262      0.00000
   1535       5.9348      0.00000
   1536       5.9406      0.00000
   1537       5.9558      0.00000
   1538       5.9667      0.00000
   1539       5.9736      0.00000
   1540       5.9750      0.00000
   1541       5.9966      0.00000
   1542       6.0002      0.00000
   1543       6.0087      0.00000
   1544       6.0207      0.00000
   1545       6.0290      0.00000
   1546       6.0324      0.00000
   1547       6.0512      0.00000
   1548       6.0570      0.00000
   1549       6.0639      0.00000
   1550       6.0808      0.00000
   1551       6.0829      0.00000
   1552       6.0959      0.00000
   1553       6.1068      0.00000
   1554       6.1100      0.00000
   1555       6.1172      0.00000
   1556       6.1222      0.00000
   1557       6.1290      0.00000
   1558       6.1390      0.00000
   1559       6.1416      0.00000
   1560       6.1604      0.00000
   1561       6.1667      0.00000
   1562       6.1775      0.00000
   1563       6.1872      0.00000
   1564       6.1931      0.00000
   1565       6.2021      0.00000
   1566       6.2134      0.00000
   1567       6.2233      0.00000
   1568       6.2257      0.00000
   1569       6.2374      0.00000
   1570       6.2409      0.00000
   1571       6.2472      0.00000
   1572       6.2645      0.00000
   1573       6.2692      0.00000
   1574       6.2730      0.00000
   1575       6.2773      0.00000
   1576       6.2857      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.086  13.410  -0.001   0.001  -0.000   0.001  -0.005   0.000
 13.410  17.828  -0.001   0.002  -0.000   0.002  -0.006   0.000
 -0.001  -0.001  -4.230   0.003   0.001   8.272  -0.004  -0.001
  0.001   0.002   0.003  -4.230   0.001  -0.004   8.272  -0.001
 -0.000  -0.000   0.001   0.001  -4.222  -0.001  -0.001   8.262
  0.001   0.002   8.272  -0.004  -0.001 -18.306   0.007   0.001
 -0.005  -0.006  -0.004   8.272  -0.001   0.007 -18.303   0.001
  0.000   0.000  -0.001  -0.001   8.262   0.001   0.001 -18.296
 total augmentation occupancy for first ion, spin component:           1
  8.634  -3.910   0.184   0.140  -0.053   0.023   0.026  -0.008
 -3.910   1.845  -0.092  -0.094   0.030  -0.010  -0.015   0.005
  0.184  -0.092   1.795  -0.062  -0.039   0.170  -0.011  -0.007
  0.140  -0.094  -0.062   1.936  -0.077  -0.011   0.182  -0.011
 -0.053   0.030  -0.039  -0.077   1.226  -0.007  -0.011   0.082
  0.023  -0.010   0.170  -0.011  -0.007   0.018  -0.002  -0.001
  0.026  -0.015  -0.011   0.182  -0.011  -0.002   0.019  -0.001
 -0.008   0.005  -0.007  -0.011   0.082  -0.001  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -52711.58233103033.06638 29225.98591-12351.44303  6760.97413 22734.15374
  Hartree  2722.67360129888.52479 67415.19472-12631.97086  4739.92561 17177.34008
  E(xc)  -10742.65936-10597.13160-10640.81740     2.37275     8.00565    31.22502
  Local   16574.05621************************ 24965.95173-11533.69193-39344.19492
  n-local -5857.51288 -5984.92403 -6044.71598     5.44064    17.05982   -60.97932
  augment  1492.09466  1536.07170  1486.91577     5.05332    13.12855    -1.87895
  Kinetic 45570.06326 43250.86336 43767.34869   -23.34920   -74.78684  -538.01354
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -45.0081265   -394.8271244    -71.6767229    -27.9446579    -69.3850075     -2.3478737
  in kB       -7.5054654    -65.8405833    -11.9526673     -4.6599954    -11.5705054     -0.3915267
  external PRESSURE =     -28.4329053 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.258E+03 -.117E+03 0.250E+03   0.258E+03 0.117E+03 -.252E+03   -.496E-01 -.779E+00 0.139E+01   -.464E-03 0.614E-03 0.865E-03
   -.213E+03 -.140E+03 0.519E+02   0.212E+03 0.141E+03 -.513E+02   0.273E+00 -.115E+01 -.291E+00   0.900E-04 0.400E-03 0.601E-03
   -.184E+03 -.129E+03 0.365E+01   0.183E+03 0.130E+03 -.195E+01   0.267E+00 -.103E+01 -.142E+01   0.416E-03 -.238E-03 0.200E-03
   -.238E+03 -.106E+03 0.351E+03   0.239E+03 0.106E+03 -.353E+03   -.232E+00 0.165E-01 0.249E+01   -.606E-03 0.759E-03 -.445E-04
   -.190E+03 -.152E+03 0.311E+03   0.190E+03 0.153E+03 -.312E+03   0.197E+00 -.745E+00 0.856E+00   -.106E-02 0.893E-03 -.322E-03
   -.167E+03 -.117E+03 0.170E+03   0.167E+03 0.117E+03 -.170E+03   0.114E+00 -.216E+00 -.594E-01   -.435E-03 -.101E-03 -.151E-03
   -.265E+03 -.137E+03 0.183E+03   0.265E+03 0.142E+03 -.183E+03   0.455E+00 -.457E+01 0.737E+00   -.128E-02 0.104E-02 0.283E-02
   -.196E+03 -.119E+03 0.324E+02   0.197E+03 0.123E+03 -.350E+02   -.535E+00 -.402E+01 0.202E+01   0.187E-03 -.990E-04 0.802E-03
   -.119E+03 0.847E+01 0.202E+03   0.119E+03 -.853E+01 -.202E+03   0.224E+00 -.148E-01 0.181E+00   -.687E-03 -.363E-03 -.282E-03
   -.949E+02 0.898E+02 0.655E+02   0.944E+02 -.914E+02 -.643E+02   0.435E+00 0.129E+01 -.995E+00   0.306E-04 -.486E-03 -.229E-03
   -.108E+03 0.113E+03 0.135E+03   0.108E+03 -.114E+03 -.135E+03   0.155E+00 0.102E+01 0.176E+00   -.848E-03 -.540E-03 -.296E-03
   -.127E+03 0.560E+01 0.340E+03   0.127E+03 -.604E+01 -.341E+03   -.287E+00 0.294E+00 0.112E+01   -.182E-02 -.622E-03 -.791E-03
   -.129E+03 -.329E+02 0.374E+03   0.129E+03 0.339E+02 -.376E+03   -.957E-01 -.964E+00 0.240E+01   -.225E-02 -.630E-03 -.304E-03
   -.133E+03 0.321E+02 0.311E+03   0.133E+03 -.319E+02 -.313E+03   -.173E-01 0.201E+00 0.164E+01   -.179E-02 -.635E-03 0.995E-04
   -.132E+03 0.118E+03 0.277E+03   0.131E+03 -.122E+03 -.279E+03   0.497E+00 0.413E+01 0.216E+01   -.208E-02 -.718E-03 0.243E-03
   -.102E+03 0.124E+03 0.109E+03   0.101E+03 -.127E+03 -.113E+03   0.218E+00 0.293E+01 0.351E+01   -.101E-02 -.408E-03 -.156E-02
   -.971E+02 0.123E+03 0.624E+02   0.975E+02 -.118E+03 -.583E+02   -.480E+00 -.481E+01 -.431E+01   -.106E-02 -.555E-06 -.428E-03
   -.268E+02 0.207E+03 -.156E+03   0.261E+02 -.209E+03 0.158E+03   0.597E+00 0.192E+01 -.220E+01   -.455E-03 -.787E-03 -.391E-03
   0.896E+01 0.155E+03 -.205E+03   -.927E+01 -.155E+03 0.206E+03   0.411E+00 0.735E-02 -.199E+01   -.522E-03 0.115E-03 -.106E-03
   -.859E+02 0.125E+03 0.192E+03   0.869E+02 -.124E+03 -.195E+03   -.101E+01 -.754E+00 0.320E+01   -.113E-02 -.598E-03 0.819E-03
   -.159E+02 0.835E+02 -.610E+01   0.145E+02 -.852E+02 0.739E+01   0.143E+01 0.158E+01 -.112E+01   -.130E-02 -.316E-03 0.107E-03
   -.231E+02 0.163E+02 -.145E+03   0.232E+02 -.165E+02 0.146E+03   -.208E+00 0.114E+00 -.871E+00   -.897E-03 0.512E-03 -.831E-04
   -.622E+02 -.307E+02 -.186E+03   0.626E+02 0.311E+02 0.185E+03   -.418E+00 -.263E+00 0.727E+00   -.347E-03 0.639E-03 -.103E-03
   -.584E+02 -.696E+02 -.241E+03   0.596E+02 0.712E+02 0.240E+03   -.114E+01 -.149E+01 0.140E+01   -.486E-03 0.964E-03 -.390E-03
   -.369E+02 -.155E+03 -.354E+03   0.365E+02 0.156E+03 0.356E+03   0.345E+00 -.226E+00 -.176E+01   -.406E-03 0.150E-02 -.236E-03
   -.123E+03 -.171E+03 -.169E+03   0.124E+03 0.171E+03 0.168E+03   -.728E+00 -.352E+00 0.186E+01   0.105E-03 0.529E-03 0.769E-03
   -.992E+02 -.291E+03 -.202E+03   0.994E+02 0.291E+03 0.201E+03   -.158E+00 -.968E+00 0.359E+00   0.745E-04 0.550E-03 0.672E-03
   -.540E+02 -.265E+03 -.310E+03   0.540E+02 0.266E+03 0.311E+03   0.209E+00 -.110E+01 -.642E+00   -.396E-03 0.116E-02 0.147E-03
   -.525E+02 -.174E+02 -.232E+03   0.582E+02 0.251E+02 0.227E+03   -.573E+01 -.780E+01 0.517E+01   -.978E-03 0.910E-03 -.248E-02
   -.245E+02 0.519E+02 0.347E+02   0.199E+02 -.609E+02 -.299E+02   0.493E+01 0.894E+01 -.459E+01   -.392E-02 0.159E-02 -.344E-03
   -.223E+03 -.253E+02 -.424E+02   0.223E+03 0.253E+02 0.440E+02   -.148E+00 -.391E+00 -.187E+01   0.144E-02 0.541E-03 -.963E-03
   -.155E+03 -.151E+03 0.137E+03   0.155E+03 0.153E+03 -.137E+03   0.422E-01 -.127E+01 -.339E+00   0.381E-03 0.439E-03 -.900E-03
   -.172E+03 -.156E+03 0.173E+03   0.172E+03 0.157E+03 -.174E+03   0.106E+00 -.148E+01 0.850E+00   -.153E-03 0.431E-03 -.115E-02
   -.325E+03 0.883E+01 -.167E+03   0.325E+03 -.107E+02 0.170E+03   0.420E+00 0.186E+01 -.291E+01   0.221E-02 0.117E-02 -.364E-03
   -.311E+03 -.695E+02 -.195E+03   0.311E+03 0.696E+02 0.196E+03   0.244E+00 -.164E+00 -.127E+01   0.154E-02 0.667E-03 0.368E-03
   -.237E+03 -.726E+02 -.120E+02   0.237E+03 0.725E+02 0.120E+02   0.334E+00 0.140E+00 -.114E+00   0.342E-03 0.148E-03 0.969E-04
   -.123E+03 -.519E+02 -.405E+01   0.124E+03 0.554E+02 0.718E+01   -.690E+00 -.418E+01 -.264E+01   0.144E-02 0.161E-02 -.216E-02
   -.736E+02 -.143E+03 0.113E+03   0.740E+02 0.146E+03 -.109E+03   -.270E+00 -.300E+01 -.382E+01   0.134E-04 0.404E-03 -.571E-03
   -.207E+03 0.480E+02 -.216E+02   0.207E+03 -.482E+02 0.216E+02   0.219E+00 0.383E+00 -.145E+00   -.151E-03 0.368E-03 0.671E-05
   -.122E+03 0.625E+02 0.185E+03   0.122E+03 -.638E+02 -.187E+03   0.175E+00 0.107E+01 0.156E+01   -.943E-03 0.670E-03 -.131E-02
   -.866E+02 0.831E+02 0.104E+03   0.867E+02 -.844E+02 -.105E+03   -.141E+00 0.137E+01 0.826E-01   -.993E-03 0.227E-03 -.118E-02
   -.236E+03 0.856E+02 -.238E+03   0.236E+03 -.866E+02 0.239E+03   -.348E-01 0.839E+00 -.908E+00   0.192E-03 -.338E-03 0.411E-03
   -.191E+03 0.421E+02 -.310E+03   0.191E+03 -.423E+02 0.313E+03   0.267E+00 0.557E-01 -.222E+01   -.263E-03 -.717E-03 -.400E-03
   -.121E+03 0.625E+02 -.164E+03   0.121E+03 -.631E+02 0.166E+03   -.113E+00 0.103E+01 -.138E+01   -.582E-03 -.192E-03 -.975E-03
   -.608E+02 0.109E+03 -.101E+03   0.606E+02 -.114E+03 0.101E+03   0.369E+00 0.481E+01 -.422E+00   -.633E-03 0.657E-03 -.225E-02
   -.196E+02 0.882E+02 0.127E+03   0.192E+02 -.924E+02 -.124E+03   0.567E+00 0.437E+01 -.208E+01   -.131E-02 0.559E-03 -.452E-03
   0.319E+02 0.596E+02 0.978E+02   -.304E+02 -.541E+02 -.997E+02   -.149E+01 -.584E+01 0.182E+01   -.155E-02 -.912E-03 -.475E-03
   -.464E+01 0.136E+03 0.279E+03   0.572E+01 -.137E+03 -.282E+03   -.117E+01 0.124E+01 0.257E+01   -.220E-02 -.513E-03 -.417E-03
   -.350E+02 0.132E+03 0.245E+03   0.359E+02 -.132E+03 -.247E+03   -.100E+01 -.553E+00 0.186E+01   -.217E-02 0.144E-03 -.407E-03
   0.450E+02 0.823E+02 -.598E+02   -.458E+02 -.825E+02 0.631E+02   0.921E+00 0.168E+00 -.333E+01   -.164E-02 -.979E-06 -.114E-02
   0.510E+01 0.329E+02 0.261E+02   -.453E+01 -.340E+02 -.282E+02   -.546E+00 0.101E+01 0.193E+01   -.111E-02 -.110E-03 -.481E-03
   -.108E+02 0.173E+02 0.893E+02   0.113E+02 -.169E+02 -.902E+02   -.542E+00 -.323E+00 0.710E+00   -.122E-02 0.923E-04 -.228E-03
   -.923E+02 0.333E-01 0.451E+02   0.922E+02 -.764E-02 -.444E+02   0.117E+00 0.603E-01 -.522E+00   -.126E-02 -.100E-04 0.309E-03
   -.188E+03 -.185E+02 0.995E+02   0.188E+03 0.194E+02 -.978E+02   0.621E+00 -.680E+00 -.163E+01   -.127E-02 0.111E-03 0.640E-03
   -.273E+03 -.784E+02 0.175E+03   0.274E+03 0.785E+02 -.178E+03   -.130E+01 -.482E-01 0.328E+01   -.221E-03 0.664E-03 0.107E-02
   -.973E+02 -.124E+03 -.123E+03   0.969E+02 0.124E+03 0.125E+03   0.440E+00 0.641E+00 -.197E+01   -.399E-03 -.284E-03 -.327E-03
   -.129E+03 -.129E+03 -.165E+03   0.128E+03 0.130E+03 0.168E+03   0.657E+00 -.115E+01 -.272E+01   0.410E-03 0.468E-03 -.321E-03
   -.205E+03 -.606E+02 0.364E+02   0.204E+03 0.545E+02 -.345E+02   0.102E+01 0.626E+01 -.180E+01   0.289E-04 0.147E-02 0.343E-03
   -.226E+03 0.162E+02 0.157E+03   0.224E+03 -.984E+01 -.148E+03   0.234E+01 -.605E+01 -.843E+01   -.317E-02 -.138E-02 0.530E-03
   -.519E+02 0.552E+01 -.599E+02   0.542E+02 -.119E+02 0.509E+02   -.212E+01 0.668E+01 0.851E+01   -.110E-03 -.258E-03 0.196E-03
   -.387E+03 -.721E+02 0.819E+02   0.387E+03 0.721E+02 -.835E+02   -.127E+00 -.497E+00 0.123E+01   0.204E-02 0.138E-03 -.146E-02
   -.383E+03 -.100E+03 -.896E+02   0.383E+03 0.101E+03 0.904E+02   0.178E+00 -.121E+01 -.235E+00   0.134E-02 -.377E-03 -.332E-03
   -.349E+03 -.938E+02 -.131E+03   0.349E+03 0.951E+02 0.132E+03   0.116E+00 -.769E+00 -.137E+01   0.123E-02 -.145E-02 -.169E-04
   -.324E+03 -.665E+02 0.171E+03   0.325E+03 0.666E+02 -.173E+03   -.130E+00 -.256E-01 0.221E+01   0.183E-02 -.215E-02 -.194E-03
   -.271E+03 -.115E+03 0.130E+03   0.271E+03 0.116E+03 -.131E+03   0.174E+00 -.541E+00 0.665E+00   0.544E-03 -.188E-02 0.546E-03
   -.292E+03 -.854E+02 0.211E+01   0.292E+03 0.854E+02 -.214E+01   -.568E-01 -.254E+00 -.170E+00   0.520E-03 -.152E-02 -.483E-03
   -.394E+03 -.115E+03 -.406E+01   0.393E+03 0.121E+03 0.653E+01   0.438E+00 -.425E+01 0.522E+00   0.328E-02 -.246E-02 -.207E-02
   -.390E+03 -.917E+02 -.446E+02   0.391E+03 0.955E+02 0.407E+02   -.587E+00 -.404E+01 0.224E+01   0.112E-02 -.174E-02 0.744E-03
   -.242E+03 0.461E+02 0.299E+02   0.242E+03 -.462E+02 -.300E+02   0.261E-02 -.446E-01 0.863E-01   0.282E-03 -.973E-03 0.262E-03
   -.265E+03 0.119E+03 -.683E+02   0.265E+03 -.121E+03 0.696E+02   0.202E+00 0.145E+01 -.103E+01   0.747E-03 -.556E-03 0.685E-03
   -.269E+03 0.135E+03 -.170E+01   0.269E+03 -.136E+03 0.177E+01   0.166E+00 0.135E+01 0.289E+00   -.624E-04 -.111E-03 0.734E-03
   -.190E+03 0.441E+02 0.133E+03   0.190E+03 -.445E+02 -.134E+03   -.180E+00 0.237E+00 0.120E+01   -.630E-03 -.660E-03 0.638E-03
   -.187E+03 -.109E+02 0.145E+03   0.187E+03 0.119E+02 -.147E+03   -.139E+00 -.111E+01 0.252E+01   -.123E-02 -.408E-03 0.842E-03
   -.248E+03 0.394E+02 0.123E+03   0.248E+03 -.395E+02 -.125E+03   -.605E-01 0.355E+00 0.160E+01   -.891E-03 -.178E-03 0.728E-03
   -.268E+03 0.982E+02 0.112E+03   0.268E+03 -.102E+03 -.114E+03   0.290E+00 0.428E+01 0.217E+01   -.131E-02 -.381E-03 0.892E-03
   -.295E+03 0.143E+03 0.715E+02   0.295E+03 -.146E+03 -.752E+02   0.254E-01 0.316E+01 0.368E+01   -.430E-03 -.270E-03 0.375E-04
   -.294E+03 0.111E+03 0.101E+03   0.294E+03 -.106E+03 -.974E+02   -.460E-01 -.491E+01 -.395E+01   -.103E-02 -.659E-03 -.132E-03
   -.172E+03 0.207E+03 0.272E+02   0.171E+03 -.209E+03 -.252E+02   0.807E+00 0.167E+01 -.202E+01   -.141E-02 -.705E-03 0.269E-05
   -.822E+02 0.126E+03 0.553E+02   0.814E+02 -.127E+03 -.537E+02   0.888E+00 0.921E-01 -.191E+01   -.128E-02 -.521E-03 0.199E-03
   -.331E+03 0.913E+02 0.197E+03   0.332E+03 -.904E+02 -.200E+03   -.105E+01 -.920E+00 0.293E+01   -.680E-03 -.739E-03 0.490E-03
   -.256E+03 0.662E+02 0.106E+03   0.256E+03 -.678E+02 -.105E+03   0.999E+00 0.143E+01 -.113E+01   -.136E-02 -.247E-03 0.736E-04
   -.162E+03 0.313E+01 0.886E+02   0.162E+03 -.320E+01 -.879E+02   0.100E+00 0.153E+00 -.610E+00   -.128E-02 -.140E-03 0.550E-04
   -.140E+03 -.501E+01 0.124E+03   0.140E+03 0.511E+01 -.125E+03   -.377E+00 -.146E+00 0.858E+00   -.961E-03 0.221E-03 0.321E-04
   -.763E+02 -.357E+02 0.885E+02   0.776E+02 0.376E+02 -.900E+02   -.143E+01 -.161E+01 0.153E+01   -.390E-03 -.138E-03 -.549E-03
   -.147E+02 -.637E+02 -.184E+02   0.134E+02 0.627E+02 0.219E+02   0.110E+01 0.102E+01 -.332E+01   -.692E-03 0.256E-03 -.181E-02
   -.212E+03 -.133E+03 0.167E+03   0.213E+03 0.133E+03 -.169E+03   -.110E+01 -.258E-01 0.194E+01   -.115E-02 0.509E-03 0.426E-04
   -.130E+03 -.212E+03 0.200E+03   0.131E+03 0.213E+03 -.202E+03   -.682E+00 -.168E+01 0.204E+01   -.360E-03 0.103E-03 -.805E-04
   -.319E+02 -.979E+02 0.103E+03   0.324E+02 0.935E+02 -.107E+03   -.433E+00 0.454E+01 0.409E+01   -.599E-04 -.349E-04 -.119E-02
   -.404E+02 -.292E+02 0.765E+02   0.448E+02 0.377E+02 -.824E+02   -.494E+01 -.854E+01 0.563E+01   0.321E-02 -.165E-02 -.331E-03
   -.317E+03 0.446E+02 0.932E+02   0.314E+03 -.538E+02 -.882E+02   0.372E+01 0.902E+01 -.479E+01   -.634E-02 0.166E-02 -.221E-03
   -.254E+03 -.155E+02 -.118E+03   0.254E+03 0.154E+02 0.120E+03   -.217E+00 -.331E+00 -.163E+01   0.217E-02 -.834E-03 0.342E-03
   -.214E+03 -.158E+03 0.497E+02   0.214E+03 0.159E+03 -.497E+02   -.731E-01 -.129E+01 -.275E+00   0.125E-02 -.439E-03 0.119E-03
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   -.672E+02 -.201E+02 0.131E+03   0.902E+02 0.110E+02 -.178E+03   -.228E+02 0.919E+01 0.475E+02   -.261E-03 0.126E-02 0.211E-02
   -.284E+03 -.411E+03 0.419E+03   0.313E+03 0.441E+03 -.452E+03   -.290E+02 -.296E+02 0.325E+02   0.136E-02 0.114E-02 0.105E-02
   0.169E+03 -.504E+03 -.115E+03   -.194E+03 0.535E+03 0.149E+03   0.253E+02 -.303E+02 -.337E+02   0.397E-02 0.770E-03 0.272E-02
   -.258E+03 -.123E+03 -.827E+01   0.293E+03 0.965E+02 0.413E+02   -.350E+02 0.260E+02 -.330E+02   0.104E-02 0.438E-03 -.140E-04
   -.162E+02 -.151E+03 0.851E+03   -.122E+02 0.178E+03 -.890E+03   0.285E+02 -.268E+02 0.391E+02   0.423E-02 0.195E-02 -.141E-02
   -.205E+03 0.209E+03 0.654E+03   0.241E+03 -.236E+03 -.681E+03   -.359E+02 0.269E+02 0.269E+02   0.297E-02 0.833E-03 -.327E-02
   0.997E+02 0.414E+03 0.301E+03   -.133E+03 -.446E+03 -.282E+03   0.337E+02 0.325E+02 -.191E+02   0.193E-03 0.650E-03 -.130E-02
 -----------------------------------------------------------------------------------------------
   0.469E+01 -.230E+01 0.205E+01   0.107E-10 -.637E-11 -.119E-11   -.472E+01 0.233E+01 -.214E+01   0.156E-01 -.128E-01 0.950E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.98755      3.16875      1.39694         0.063069     -0.407407     -0.191034
     12.78768      3.58072      2.69979         0.012327     -0.047404      0.303378
     12.75090      4.94342      3.02381        -0.022380      0.276131      0.269454
     13.01379      4.08218      0.36186        -0.012761      0.076312     -0.135488
     12.93568      5.43449      0.68545         0.020833      0.084720     -0.166343
     12.86737      5.93223      2.00778         0.053189     -0.118593     -0.166485
     13.11684      1.68973      1.35138        -0.170731      0.087503      0.266947
     12.61349      2.33511      3.53599        -0.030822     -0.010747     -0.580781
     12.96883      7.42577      2.23676         0.145257     -0.070051      0.048260
     12.94973      8.03446      3.51443        -0.009141     -0.265184      0.200619
     13.25147      9.39078      3.65006        -0.074008     -0.055786      0.457708
     13.19366      8.30395      1.14488        -0.112969     -0.150012     -0.071523
     13.40507      9.67409      1.27684        -0.049121      0.027962     -0.014241
     13.45855     10.20214      2.55602         0.178094      0.395923      0.064616
     13.67994     11.60153      3.01932        -0.010334      0.183907     -0.042039
     13.38403     10.23186      4.88553        -0.087482      0.143295      0.037735
     13.73474     12.73351      5.33327        -0.050886     -0.210188     -0.213918
     13.42797     12.62740      6.68844        -0.095582      0.280521      0.181629
     13.42355     13.74803      7.53074         0.099013     -0.306096     -0.228054
     14.04752     14.01831      4.88561         0.022689      0.105160      0.034224
     14.04540     15.12890      5.75198         0.063091     -0.150725      0.171730
     13.76800     15.06317      7.16539        -0.059920     -0.132064      0.016198
     13.83070     16.18124      8.23096        -0.017662      0.167257      0.051581
     13.27607     16.13393      9.56893        -0.003750      0.132709      0.095776
     13.37076     17.23823     10.43599        -0.058720      0.170982      0.128819
     14.42390     17.44779      7.95401         0.055840     -0.045574      0.097201
     14.41894     18.57156      8.79133         0.088815     -0.234879      0.023786
     13.90748     18.46306     10.07637         0.239950      0.108873     -0.234139
     12.49670     15.02007     10.23987         0.029815     -0.148988     -0.256962
     14.58970     16.34201      5.08291         0.257424     -0.055841      0.207997
      9.68582      3.86882      4.79620         0.038750     -0.438318     -0.243102
      9.75837      4.79319      3.77676        -0.010371      0.052111     -0.351105
      9.90226      6.14938      4.08322         0.004770      0.298857     -0.202637
      9.72662      4.24709      6.11995         0.182375     -0.012504      0.137868
      9.78907      5.59772      6.42772         0.125749     -0.090734      0.005020
      9.90204      6.59045      5.43228         0.054151      0.020032     -0.077858
      9.47811      2.51545      4.24152        -0.039457     -0.688256      0.484563
      9.66436      4.03752      2.47033         0.067443     -0.141845      0.378491
     10.00472      8.03285      5.82353         0.086071      0.163539     -0.221625
     10.17434      9.05474      4.85770        -0.058182     -0.202579     -0.303669
     10.25320     10.38137      5.25154        -0.055971      0.042196     -0.528738
      9.91735      8.45217      7.17122         0.017281     -0.125993      0.032792
      9.99037      9.79225      7.56322         0.126848     -0.171346      0.211120
     10.16970     10.74633      6.58030         0.048111      0.486983      0.013622
     10.27042     12.22333      6.67457         0.178192     -0.105895     -0.253948
     10.39446     11.62141      4.42106         0.165764      0.100054      0.796728
     10.79846     14.09707      4.99190        -0.004044     -0.350327     -0.071446
     11.31472     14.41523      3.73161        -0.090940      0.133449     -0.065286
     11.72076     15.72335      3.43401        -0.102875     -0.241640      0.061058
     10.72374     15.15519      5.90614         0.045448     -0.025714     -0.088601
     11.05195     16.48693      5.57152         0.015705     -0.022105     -0.114989
     11.58668     16.85396      4.26423        -0.035687      0.056988     -0.199464
     12.02990     18.24885      3.72287        -0.006004      0.086003      0.164761
     12.55409     18.65423      2.42463         0.015953      0.210933      0.030011
     12.79965     20.01023      2.11048         0.013117      0.009424      0.150496
     11.92299     19.35237      4.59268         0.048024      0.320789     -0.266811
     12.16925     20.69634      4.28502        -0.037847     -0.192563      0.185663
     12.58808     21.06626      3.00821         0.013076      0.141510      0.127303
     12.92581     17.78347      1.22176        -0.080047      0.332974      0.481471
     10.79472     17.40604      6.75652         0.195651      0.320139     -0.458908
     10.31661      7.11839     14.62641        -0.042275     -0.515487     -0.316018
     10.18424      7.54011     15.93402         0.051916     -0.312827      0.470155
     10.19221      8.90308     16.26377         0.096611      0.503031      0.424240
     10.32443      8.06017     13.60187        -0.005478      0.027499      0.022082
     10.29121      9.41867     13.94028         0.036775      0.361035     -0.285487
     10.28890      9.92073     15.26918         0.047726     -0.242528     -0.194170
     10.36168      5.60053     14.57939        -1.061537      2.265559      2.998268
      9.97974      6.29429     16.79552         0.290652     -0.164910     -1.666273
     10.37636     11.43369     15.53202         0.054632     -0.176313     -0.056255
     10.34372     12.02096     16.82549         0.043196     -0.275790      0.253707
     10.53149     13.40145     17.00046         0.031285      0.001126      0.355003
     10.53052     12.35181     14.45345        -0.034586     -0.223099     -0.023826
     10.67877     13.73041     14.62433        -0.041421     -0.061786     -0.052685
     10.70077     14.23978     15.91457         0.083151      0.283449      0.027634
     10.83135     15.65069     16.37560        -0.028182      0.120904      0.061369
     10.55319     14.26631     18.24449         0.026147      0.199202     -0.095045
     10.68251     16.84739     18.65241        -0.171293     -0.263817     -0.000978
     10.19083     16.77705     19.95755        -0.127805      0.076446     -0.002242
      9.97838     17.93305     20.72541         0.150004     -0.272647     -0.368453
     11.00678     18.14625     18.21884         0.105385      0.018608      0.018826
     10.91109     19.28440     19.05837         0.154542     -0.168774     -0.089506
     10.37863     19.24331     20.40527        -0.035952      0.085353      0.067097
     10.18745     20.38546      0.18988        -0.051834     -0.047854     -0.013449
      9.62640     20.29766      1.53111        -0.074961      0.295386     -0.016074
      9.46009      0.18536      2.33841        -0.129802      0.068130      0.202337
     10.56003      0.46782     21.16325        -0.051181      0.164094     -0.114378
     10.21894      1.62091      0.62976         0.103293     -0.127657      0.139021
      9.68385      1.50250      1.91380         0.054296      0.132442      0.094847
      9.04635     19.10108      2.27178        -0.489736     -0.004819     -0.234767
     11.44785     20.52422     18.38510         0.142493     -0.149392      0.198729
      7.08666      7.65880     17.50115         0.097128     -0.422339     -0.172310
      7.12989      8.59741     16.48817        -0.016540      0.088135     -0.257213
      7.23348      9.96252     16.78793        -0.061679      0.046067     -0.287460
      7.17396      8.03601     18.82995         0.254702      0.044990      0.016101
      7.20971      9.39687     19.12874         0.104984     -0.037654     -0.114697
      7.22758     10.40692     18.13153         0.155386     -0.061031     -0.018645
      6.82217      6.31134     16.92392         0.254909      0.072119     -0.153109
      7.01595      7.85443     15.17746         0.212604     -0.310828      0.462849
      7.24824     11.86299     18.52000         0.053000      0.127123     -0.096614
      7.38123     12.94426     17.60444        -0.101940     -0.321346     -0.311394
      7.33265     14.26112     18.05497        -0.102821      0.216762     -0.403525
      7.14497     12.22410     19.87753         0.025354     -0.109463      0.107511
      7.14745     13.54154     20.33082         0.176680     -0.132126      0.120695
      7.20200     14.55661     19.39897         0.008924      0.520161      0.111710
      7.18604     16.03284     19.58959         0.200774     -0.283028     -0.849595
      7.44290     15.56380     17.30799        -0.004377      0.084194      0.858305
      7.58713     18.03986     18.04665         0.067443     -0.387390     -0.145280
      8.29363     18.43420     16.90814        -0.015302      0.128739     -0.155428
      8.62368     19.77648     16.69759        -0.080321     -0.424175      0.060733
      7.24473     19.07000     18.93950         0.047747      0.005345     -0.184034
      7.44002     20.43532     18.62237         0.072334      0.051229     -0.106777
      8.17559     20.87240     17.44672         0.113842      0.005151     -0.161355
      8.64194      1.00471     16.95222         0.095085      0.171243     -0.145186
      9.18679      1.36087     15.64394         0.493569     -0.287171     -0.045889
      9.59326      2.67966     15.33356         0.145569     -0.042372      0.185237
      8.64226      2.11742     17.81860         0.113998      0.670793      0.089517
      9.10468      3.42211     17.51891        -0.195864     -0.222702      0.155907
      9.58348      3.75006     16.23828         0.079940      0.562977      0.550879
      9.61736      0.44467     14.44781        -0.484759      0.317317      0.145701
      6.85983      0.08887     19.67780         0.364425      0.307262     -0.246301
      6.96291     10.88220      6.11658        -0.021648     -0.488302     -0.091828
      6.80703     11.32782      7.41450        -0.022775     -0.134429      0.367075
      6.90813     12.68326      7.73069        -0.025809      0.262171      0.233366
      7.27610     11.75731      5.09616        -0.001661      0.230397     -0.139082
      7.39082     13.11235      5.41731        -0.068657      0.077884     -0.134112
      7.18433     13.64077      6.71693        -0.098650     -0.190333      0.017023
      6.92726      9.40092      6.09309        -0.041360     -0.422327     -0.136920
      6.68053     10.10887      8.29260         0.046672     -0.195669     -0.143934
      7.28213     15.12873      6.95211        -0.050156     -0.031164      0.001913
      7.08821     15.77150      8.19867        -0.020458     -0.278875      0.206549
      7.21417     17.16132      8.30839        -0.008467      0.060199      0.443777
      7.61059     15.97804      5.87037        -0.151177      0.063869     -0.063506
      7.63730     17.36451      5.95958        -0.077406      0.024102     -0.101302
      7.43860     17.95331      7.20109         0.045691      0.480660      0.111841
      7.66535     19.36890      7.63474         0.018256      0.578677      0.104008
      7.30853     18.04275      9.52541         0.116908      0.313239      0.374122
      7.62913     20.59225      9.93698        -0.162755     -0.342325     -0.143479
      7.15132     20.56167     11.25013        -0.062122      0.149589      0.213619
      7.00601      0.47380     12.02294         0.108657     -0.361757     -0.122431
      8.03977      0.60713      9.52614         0.054622      0.060591      0.104082
      8.08184      1.73399     10.39486         0.018587     -0.265253      0.097917
      7.52236      1.75974     11.72634         0.134203     -0.091491      0.088185
      7.44387      2.93733     12.77891         0.317573      0.179813     -0.710468
      6.89713      2.86551     14.10408        -0.096148      0.121611      0.564234
      6.76254      4.00387     14.92819        -0.354741      0.395554      0.487316
      7.90416      4.27457     12.51148        -0.106310      0.202080     -0.005590
      7.65944      5.42987     13.29662         0.270048     -0.244058     -0.091650
      7.08458      5.32303     14.56283        -0.094825     -0.030197      0.199665
      6.23797      1.67739     14.79862        -0.292225     -0.287669      0.192218
      8.83592      2.86604      9.78177         0.115775      0.358969      0.330261
      4.08544     11.50319     10.74125         0.139922     -0.397246     -0.032130
      3.82172     12.36506      9.69732         0.029178      0.114858     -0.394176
      3.86537     13.74470      9.86642         0.072536      0.109082     -0.280577
      4.41992     11.99564     11.98870         0.149809     -0.032478      0.068453
      4.46533     13.37981     12.16310         0.152171      0.083698      0.010544
      4.20163     14.30207     11.11977         0.089670     -0.051457     -0.171281
      3.84898     10.10681     10.30217        -0.035640     -0.053407     -0.306395
      3.42864     11.55118      8.50916         0.019393     -0.117055     -0.183750
      4.28650     15.78706     11.32692        -0.006996      0.259830     -0.195041
      4.07031     16.74353     10.29275        -0.099324     -0.215528     -0.297727
      4.12461     18.11531     10.56337        -0.001526      0.155913     -0.311569
      4.65511     16.30331     12.58421         0.168835     -0.028847      0.108696
      4.76831     17.66681     12.84823         0.124874     -0.030521     -0.004106
      4.41805     18.56166     11.84397        -0.011797      0.258378     -0.038029
      4.31724     20.03402     11.86777         0.118829      0.951501      0.918142
      4.10101     19.34234      9.66084         0.157050      0.118321     -0.090260
      4.41038      0.65164     10.13479        -0.112176     -0.106189     -0.134524
      4.78931      0.97266      8.82921         0.100983      0.096558      0.013198
      5.20260      2.27340      8.49044        -0.004943     -0.300508      0.102547
      4.32870      1.76901     10.98839         0.003531     -0.160528      0.003062
      4.70882      3.09762     10.63755         0.223760     -0.039969     -0.135524
      5.30306      3.40755      9.33846         0.150063     -0.047177     -0.188251
      5.93840      4.77157      8.76132        -0.025327      0.032059      0.194743
      6.47229      5.07887      7.44486        -0.220212      0.130436      0.282242
      6.74922      6.41293      7.01644        -0.032689     -0.105223      0.106213
      5.89569      5.93794      9.54228         0.192519      0.537921     -0.241203
      6.18449      7.25800      9.14419         0.051676     -0.794264      0.094751
      6.56530      7.54143      7.83524         0.091646      0.409351      0.263608
      6.57528      4.04857      6.34536         0.010651     -0.146993      0.256000
      4.41862      4.01505     11.83233         0.074805      0.439495     -0.179762
      1.05624     14.29825      0.83625        -0.325770     -0.407660     -0.364775
      1.63821     14.71522      2.01667         0.135523     -0.054233      0.132928
      1.64232     16.09476      2.33024         0.156310      0.093047      0.383855
      0.62044     15.19204     21.12849        -0.028670      0.133580      0.074665
      0.68708     16.54834      0.16676        -0.029793     -0.261340     -0.194914
      1.11883     17.05537      1.41458        -0.250591     -0.143121     -0.200940
      1.00881     12.81969      0.77479        -0.024324     -0.155626      0.043607
      2.25620     13.44922      2.62339         0.398591     -0.051271      0.597336
      0.98085     18.55302      1.60942        -0.030628      0.011719     -0.004257
      1.32988     19.25904      2.78340         0.188408     -0.218837      0.201798
      1.16587     20.64411      2.83522         0.095629      0.133890      0.200996
      0.48911     19.34772      0.53449         0.047856     -0.127286     -0.040571
      0.31319     20.72508      0.58901        -0.049851     -0.160496     -0.161700
      0.63566      0.09194      1.77164        -0.002117      0.641251      0.152239
      0.61647      1.54349      2.08385        -0.160524      0.234821     -0.315916
      1.59473      0.38740      3.86432         0.140443     -0.091256      0.125285
      1.40425      2.95373      4.05216        -0.014788     -0.191604     -0.008225
      1.96574      2.95480      5.32078         0.066141      0.092959     -0.003502
      2.10146      4.13341      6.04651        -0.025716     -0.044635     -0.307674
      0.97790      4.21272      3.59981        -0.013884     -0.069459      0.138647
      1.13036      5.39417      4.36514        -0.091496      0.003028      0.016203
      1.77972      5.46279      5.65473        -0.221784     -0.366796     -0.506311
      2.12051      6.70717      6.49456        -0.098142      0.251816     -0.048780
      2.58497      6.66725      7.83477         0.296240     -0.177593      0.379499
      3.08618      7.75614      8.56963         0.127549     -0.146704      0.404875
      2.07907      8.06974      6.06830         0.101510      0.372541     -0.065811
      2.55281      9.18983      6.78875        -0.120457     -0.535164     -0.136145
      3.08799      9.05360      8.07738        -0.013050      0.428671      0.153896
      2.85467      5.39345      8.56721        -0.361322      0.324923     -0.210332
      0.44202      6.56056      3.71253        -0.494461     -0.021267      0.233565
      4.69553     14.10024      0.68466         0.066402     -0.250766      0.129645
      4.05368     14.99989     -0.14899        -0.072854      0.000333     -0.177756
      4.05018     16.38453      0.16191        -0.102269      0.099837     -0.210425
      5.39276     14.54840      1.79862        -0.101003     -0.001491      0.145500
      5.40024     15.91327      2.08295        -0.014703      0.105075      0.188080
      4.71374     16.89773      1.31804         0.082976     -0.073813      0.192462
      4.54149     12.70233      0.18797        -0.328750      0.107717     -0.254384
      3.47773     14.15664     19.96805         0.068327     -0.183981      0.327687
      4.75722     18.36993      1.80255         0.059877     -0.228088     -0.053032
      4.12191     19.47544      1.17686        -0.085824      0.010775     -0.271977
      4.28695     20.78698      1.66643        -0.170117      0.193392     -0.255463
      5.52050     18.70045      2.95739        -0.070851     -0.204850     -0.037374
      5.69752     19.99338      3.44361        -0.113803      0.107303      0.073681
      5.06758     21.03533      2.77908         0.061792      0.307134      0.140170
      5.12272      1.24047      3.05201         0.307296      0.514397      0.332075
      3.79375      0.87841      1.17575         0.053817      0.117363     -0.049568
      3.98868      3.33859      2.04295         0.074033      0.134061      0.244419
      3.07480      3.92784      1.15805        -0.116181     -0.302434     -0.335380
      2.77014      5.30787      1.14942         0.184107     -0.275019     -0.153562
      4.47318      4.26574      2.98479        -0.131536      0.175796     -0.213513
      4.20042      5.65664      2.90569         0.080021      0.112718     -0.359010
      3.39806      6.33212      1.92934         0.118392      0.231192     -0.046468
      3.16266      7.96751      1.83312        -0.057066      0.102972      0.059367
      2.18930      8.57432      0.96826        -0.011529     -0.071531      0.087694
      1.84538      9.94003      0.95051        -0.400474     -0.170513     -0.042334
      3.73504      9.03180      2.64796        -0.026885     -0.071561     -0.278639
      3.28545     10.37824      2.73133         0.437810     -0.101670     -0.191530
      2.31363     10.88864      1.86299        -0.104192      0.427175     -0.118735
      1.35842      7.76282      0.02089        -0.391332     -0.534671      0.185006
      4.87823      6.44057      3.95783         0.119204     -0.056783      0.447605
     18.15712     17.33310     13.53576        -0.114934     -0.370489      0.156440
     19.18573     17.80921     14.32721         0.227213     -0.004012      0.344594
     19.45073     19.17652     14.43102         0.092370      0.182131      0.252208
     17.38080     18.21291     12.80053        -0.071606      0.010606     -0.136287
     17.63000     19.58196     12.92266        -0.032844      0.122217      0.026359
     18.64565     20.12696     13.74858        -0.050154     -0.104957      0.197087
     18.09737     15.84620     13.65012         0.264748      0.165596      0.104809
     19.86376     16.62712     14.96574        -0.123562     -0.174510     -0.180800
     18.76897      0.36216     13.97022         0.034269      0.008628      0.254866
     19.75858      0.95660     14.80281         0.067109     -0.390609      0.096927
     19.70188      2.31444     15.11878         0.383765     -0.039668      0.407984
     17.79902      1.25178     13.45727        -0.093715      0.002417     -0.157445
     17.78692      2.62540     13.71184        -0.123278      0.022197     -0.119482
     18.75112      3.14631     14.55812        -0.051833      0.572425      0.244100
     18.96039      4.54328     15.06001         0.154305      0.183706      0.146906
     20.50207      3.12586     16.11499        -0.398774      0.473530     -0.209327
     20.64894      5.66369     16.64430         0.061740     -0.263545      0.004012
      0.70389      5.61850     17.13728        -0.396182      0.151367     -0.162606
      1.36211      6.79353     17.51849        -0.457858      0.053018      0.183756
     20.03170      6.92097     16.74045        -0.491353     -0.244208     -0.284698
     20.63708      8.03667     17.35569        -0.060427      0.317902      0.245052
      0.76849      8.06223     17.75306         0.507034     -0.327417      0.166701
      1.66427      9.19827     18.39100        -0.322347      0.164405      0.201227
      2.99054      9.09671     18.98123        -0.143307      0.304066     -0.244894
      3.66203     10.23423     19.56298        -0.331234     -0.231258     -0.046099
      1.14297     10.50298     18.58890         0.458131      0.262325      0.102948
      1.84820     11.61794     19.10287        -1.149885      0.243457     -0.313583
      3.12521     11.53810     19.62135         0.204061      0.089723      0.189173
      4.00608      7.93724     18.87040         0.473655      1.111147     -0.008013
     19.62327      9.14539     17.58256        -0.162759      0.329955     -0.028324
      2.00514     18.17750     14.11552         0.045539     -0.261529     -0.221359
      1.28274     19.11384     13.40059        -0.439559      0.202102     -0.201823
      1.36063     20.46892     13.71970        -0.054218      0.282714     -0.050164
      2.94153     18.58549     15.05734        -0.084413     -0.035792      0.131529
      3.10338     19.95177     15.29429        -0.091239      0.115547      0.277330
      2.25560     20.93491     14.71430         0.071976     -0.024347     -0.152871
      1.69695     16.82189     13.59340        -0.304408      0.452591      0.238324
      0.47102     18.39477     12.35380         0.041805     -0.004623      0.229445
      2.41143      1.14068     15.01936        -0.175570      0.308601     -0.238701
      1.76556      2.16280     14.26419        -0.305136     -0.410525     -0.134061
      2.04257      3.50449     14.49856        -0.625125      0.147318     -0.445068
      3.28725      1.59385     16.02059        -0.077187      0.083212      0.254185
      3.62548      2.94590     16.20200        -0.047534     -0.241816      0.458821
      3.01488      3.88865     15.40517        -0.250130      0.597096     -0.157444
      3.17442      5.36351     15.30106         0.825279      0.928230      0.670840
      1.39385      4.74778     13.92199         1.852563     -0.207959      1.444605
      1.65605      7.26714     14.49861         0.199756     -0.088936     -0.035221
      0.37077      7.54298     14.03874        -0.240365      0.072022     -0.123362
     21.07009      8.81905     14.12878        -0.023160      0.076106      0.078890
      2.34912      8.38793     15.01985        -0.048171     -0.127169     -0.001061
      1.79161      9.69910     15.06826         0.004120     -0.269086     -0.108596
      0.43096      9.99038     14.61724         0.009118      0.197732     -0.110209
     20.89618     11.35011     14.58527        -0.057753     -0.140675      0.124948
     19.53317     11.64340     14.14424        -0.098269      0.339101     -0.003427
     19.01719     12.96057     14.11476        -0.063291      0.074405      0.061582
      0.28707     12.54315     14.96180        -0.066293      0.052009      0.017356
     -0.25704     13.82940     15.04300        -0.015736     -0.082141      0.012282
     19.70378     14.08428     14.59821         0.084886      0.179504     -0.066828
     18.47571     10.69504     13.58905         0.337201      0.087868      0.061363
      2.82008     10.68893     15.60275        -0.349414      0.267063     -0.249833
     16.09210      0.42810      5.22498         0.042854     -0.445016     -0.163503
     16.87477      0.86906      6.27417         0.275614     -0.129347      0.221844
     16.96315      2.23060      6.58130         0.065741      0.223229      0.292000
     15.31660      1.31347      4.51347        -0.013695      0.117188     -0.177503
     15.38039      2.66733      4.83998         0.005379      0.048948     -0.155182
     16.21988      3.19173      5.84049        -0.007796     -0.077182      0.062759
     16.35009     20.24758      4.95432         0.315246     -0.015394      0.205069
     17.57513     20.91586      6.82995        -0.136041     -0.153779     -0.211339
     16.27048      4.68946      6.05510        -0.033314     -0.013343      0.116001
     17.09439      5.31823      7.01743         0.015656     -0.260736      0.222945
     17.03206      6.69973      7.21900         0.161914     -0.039794      0.458544
     15.43104      5.55899      5.31381        -0.029880     -0.061935      0.010557
     15.41290      6.94250      5.48194        -0.092729     -0.035542     -0.104306
     16.23432      7.50854      6.43669        -0.010486      0.497875      0.132223
     16.41207      8.93296      6.84698         0.009676      0.405346     -0.056923
     17.61820      7.56199      8.29851         0.031678      0.157709      0.446688
     17.75656     10.12846      8.67511         0.038841     -0.407695     -0.076811
     18.80744     10.01248      9.57848         0.231088      0.226216      0.166603
     19.41816     11.14655     10.13463        -0.285505     -0.236789     -0.040337
     17.32418     11.44421      8.43902         0.042625      0.012936      0.139808
     17.84626     12.56553      9.13432        -0.129069     -0.073739     -0.103018
     18.97488     12.48057     10.04216        -0.113114     -0.086022      0.019757
     19.73662     13.58373     10.81891         0.212641     -0.148205      0.096004
     21.01369     13.44890     11.52422        -0.179531      0.472767     -0.034246
      0.40702     14.58175     12.04615         0.300968      0.028980      0.308307
     19.25999     14.92080     10.88321         0.003901     -0.081419     -0.111461
     19.96456     16.04462     11.33844         0.152120      0.072797      0.200900
     21.20574     15.89886     11.95973         0.131154     -0.114619      0.089242
      0.70763     12.26363     11.68303        -0.037457      0.179098     -0.226363
     17.07157     13.82196      8.79016         0.179227     -0.056449      0.203157
     20.40663      1.32085      6.10148        -0.170330     -0.146279      0.059067
     19.83603      2.36967      5.39101        -0.186367      0.074007     -0.207991
     19.84924      3.67545      5.85394        -0.129521     -0.040419     -0.116826
     20.91143      1.55629      7.37212         0.027328      0.103827      0.257113
     20.89068      2.87267      7.86046         0.032295     -0.137299      0.196716
     20.40363      3.97757      7.11933        -0.242513     -0.150716     -0.145108
     20.21584      0.06428      5.32186        -0.045251      0.019212     -0.112080
     19.13856      1.80473      4.19168        -0.211833      0.202909     -0.251216
     20.47693      5.39332      7.59105        -0.189473      0.140758     -0.036313
     20.09922      6.44537      6.73613        -0.280443     -0.205011     -0.117033
     20.36721      7.76579      7.06141        -0.253364      0.117471     -0.156363
     -0.28289      5.77095      8.84752         0.010766      0.021031      0.317946
      0.08754      7.08855      9.14832        -0.052441     -0.145422      0.327375
     21.05487      8.07432      8.21886        -0.020823      0.446278      0.063882
      0.08119      9.52331      8.20708         0.673093      1.097390      1.065983
     20.04970      9.03440      6.33904        -0.397215      0.469301     -0.240865
     20.44590     11.52517      6.85475        -0.070818     -0.335678     -0.001645
     19.55005     11.92313      5.86026         0.011430      0.071672      0.000630
     19.21789     13.26335      5.65418         0.147067     -0.135164      0.124136
     21.00626     12.57523      7.59813         0.021026      0.024950     -0.120451
     20.73089     13.93287      7.32337        -0.035499      0.034643     -0.183755
     19.76382     14.38015      6.33662        -0.019772     -0.065398     -0.164597
     19.24506     15.81499      6.03955         0.112252      0.127006      0.026891
     18.39544     16.24968      4.95048         0.152393      0.236854      0.086279
     17.87898     17.56542      4.87169         0.023053      0.221055      0.060289
     19.51465     16.90262      6.91859        -0.140483      0.192269     -0.062005
     18.91410     18.17082      6.90419         0.168933     -0.327257     -0.004928
     18.02646     18.52767      5.88820         0.005666      0.151740      0.123266
     17.81985     15.36798      3.86080         0.296630     -0.126246      0.006525
      0.37219     14.85167      8.10681        -0.250313      0.161007     -0.299555
     12.60975      5.24384      4.06065         0.001969     -0.035497      0.112210
     13.03640      3.74225     20.58534         0.171135      0.073932     -0.056102
     12.92744      6.12577     21.11169         0.017327      0.144326     -0.166345
     12.69307      7.46266      4.40673         0.086067     -0.070579      0.032201
     13.18726      7.91070      0.13676         0.041908     -0.071991     -0.217591
     13.52058     10.31410      0.40732         0.078698      0.054878     -0.168688
     13.15577     13.52336      8.54123         0.032689     -0.089722      0.369653
     13.17191     11.65326      7.07790        -0.028164     -0.107871      0.329297
     14.30560     14.18211      3.84054        -0.072956     -0.091317      0.181734
     12.94632     17.17069     11.43440         0.024742     -0.139553     -0.029444
     14.87236     17.64221      6.99953         0.135580     -0.163626      0.049954
     14.79330     19.53889      8.42369         0.083615     -0.349103      0.011125
     10.04174      6.86897      3.28086        -0.176606      0.057050     -0.179713
      9.62472      3.49781      6.88702         0.153946      0.005907      0.062668
      9.69684      5.86684      7.47378         0.183109      0.093797      0.171987
     10.23874      8.80816      3.79903        -0.070197      0.059524     -0.051323
      9.75166      7.71604      7.95234         0.047296     -0.088292      0.094445
      9.91564     10.07273      8.61593        -0.017173     -0.010478     -0.022589
     12.23211     15.81929      2.49092        -0.091176      0.014492     -0.104693
     11.44281     13.62793      2.99080         0.079614      0.185099     -0.065523
     10.44867     14.92485      6.93225        -0.126862      0.069653     -0.147924
     13.13016     20.24633      1.10497         0.095827      0.023066      0.128202
     11.61070     19.19551      5.60555         0.011319      0.071340      0.047178
     12.00823      0.19637      5.04612        -0.039416     -0.110668      0.075156
     10.08201      9.20443     17.30374         0.075494     -0.124409      0.209902
     10.27606      7.75480     12.55402         0.188073      0.027145      0.037750
     10.23851     10.12132     13.10504         0.075659     -0.046281      0.051112
     10.12712     11.39959     17.69302         0.177573     -0.038455      0.160830
     10.52269     11.99357     13.42679         0.049897     -0.089210     -0.063309
     10.75823     14.39686     13.76823         0.072913      0.013101     -0.134001
      9.48539     17.74420      0.39153        -0.166162     -0.108497      0.362793
      9.96369     15.79710     20.37456        -0.169228      0.144047      0.130214
     11.30109     18.29542     17.18002         0.149397     -0.039539      0.226865
      9.17005      0.05629      3.37766        -0.162480      0.014256     -0.182454
     11.18477      0.69105     20.31211        -0.174876     -0.127302     -0.036444
     10.41810      2.61862      0.23780         0.179351     -0.167130     -0.172708
      7.34467     10.68204     15.98202        -0.210438      0.084506     -0.210681
      7.11479      7.28841     19.61710         0.155315     -0.016728      0.054070
      7.15793      9.65593     20.18015         0.171219      0.118273      0.158632
      7.54343     12.75064     16.54701        -0.119554      0.024031     -0.175578
      7.00495     11.46273     20.63511         0.138829     -0.141354      0.090858
      7.09923     13.75442      0.13575         0.088903      0.007405     -0.003131
      9.34081     19.95061     15.91703         0.001635     -0.137078     -0.067772
      8.64619     17.68363     16.20339         0.075626      0.140720     -0.018802
      6.89988     18.80807     19.93714        -0.340139      0.046236     -0.192471
      9.88225      2.84688     14.31070         0.344572      0.217478     -0.160295
      8.30425      1.99009     18.84461         0.002515      0.035675     -0.195820
      9.04787      4.20372     18.28465        -0.000767     -0.330542     -0.065395
      6.81208     12.99777      8.76641        -0.044894      0.014829      0.172039
      7.49702     11.39009      4.09034        -0.127740      0.072447      0.020264
      7.71367     13.76614      4.61248        -0.125989      0.120190     -0.091250
      6.88421     15.18688      9.09054        -0.010027     -0.087307      0.212657
      7.93311     15.55329      4.92809        -0.154051     -0.083716     -0.243532
      7.94086     17.95529      5.09965        -0.094106      0.069739     -0.020815
      6.40695      0.30644     12.90123         0.216926      0.036021      0.072591
      6.84339     19.59474     11.64742        -0.086215      0.207342      0.226915
      8.30733      0.75730      8.49094         0.298875     -0.057495     -0.139506
      6.35567      3.90679     15.93594         0.107332     -0.195546     -0.300404
      8.47170      4.52300     11.61664        -0.259297     -0.326780      0.196453
      7.91525      6.42764     12.93082         0.184666     -0.255531     -0.207678
      3.58747     14.37814      9.03227         0.078891      0.105653     -0.190778
      4.58699     11.31358     12.81910         0.121607      0.055807     -0.029128
      4.68778     13.73797     13.16222         0.076746      0.087015      0.149767
      3.87484     16.40296      9.27741        -0.073296      0.063947     -0.123262
      4.84158     15.61495     13.40269         0.185952     -0.000443      0.072730
      5.16038     18.00411     13.80941        -0.159355      0.048021     -0.072898
      5.47317      2.33873      7.45151         0.062557      0.039768      0.122476
      4.81803      0.17616      8.08694         0.017322      0.214712     -0.196151
      4.04949      1.60077     12.02163        -0.218074     -0.067054     -0.111160
      7.03911      6.58945      5.98531         0.125856     -0.187090      0.126722
      5.50422      5.88362     10.52906         0.060256      0.015039      0.335473
      6.08169      8.05666      9.86324        -0.126286      0.066235      0.259038
      2.07828     16.44887      3.26406         0.011131     -0.117230      0.161636
      0.31102     14.85246     20.14154        -0.192347     -0.038604      0.017318
      0.41655     17.22904     20.62522        -0.145750     -0.063982     -0.012626
      1.78234     18.74875      3.62910        -0.014341     -0.094104      0.204852
      0.26851     18.89588     20.83814        -0.126356     -0.125664     -0.182729
     -0.00293      0.04061     20.97799        -0.115442     -0.032030     -0.025964
      2.48191      3.89034      6.99936         0.187019      0.041351      0.233291
      2.29361      2.00820      5.74992        -0.005313      0.245793      0.177689
      0.49384      4.28387      2.63490        -0.098462     -0.040094      0.023786
      3.48635      7.58409      9.57539        -0.347870      0.149450     -0.443486
      1.67111      8.35336      5.10812         0.050625     -0.198219     -0.092657
      2.46636     10.18942      6.38204        -0.078182      0.042684     -0.358331
      3.50344     17.06972     20.77853        -0.032080      0.067854     -0.220281
      5.89404     13.83237      2.45568         0.008352      0.097405     -0.016539
      5.96348     16.20481      2.96715        -0.043725      0.052147      0.019530
      3.49593     19.31638      0.30539        -0.066825      0.030170     -0.268072
      6.07162     17.92951      3.48316        -0.056194     -0.143770      0.079709
      6.34423     20.19465      4.29718        -0.020109     -0.049806      0.103949
      1.92446      5.47427      0.51334         0.092750      0.265041     -0.255019
      2.52538      3.25444      0.48721         0.027718      0.466357      0.012803
      5.01051      3.91031      3.84719         0.338616     -0.039752      0.027370
      1.14366     10.24835      0.19115        -0.239172      0.045557     -0.008857
      4.58438      8.88709      3.30524        -0.010040     -0.221999     -0.266686
      3.78831     11.07649      3.40807         0.039973     -0.316454      0.048722
     20.28709     19.49844     15.04583         0.008204      0.047501      0.207826
     16.61630     17.83607     12.12062        -0.147662      0.063223      0.040206
     16.97628     20.23862     12.36037        -0.043657      0.194027     -0.160180
     20.57349      0.35398     15.19961        -0.024602     -0.059551      0.242541
     16.99734      0.87339     12.83604        -0.178898     -0.141149     -0.158556
     17.01534      3.26350     13.28030        -0.015482      0.014575     -0.028270
      2.42165      6.66856     17.62111        -0.041600      0.051063      0.160198
      1.21783      4.66384     17.16373         0.259627      0.013707     -0.022709
     19.03909      7.06975     16.28794         0.379481     -0.215432      0.417553
      4.60448     10.03849     20.04328         0.310874      0.063837      0.017199
      0.11688     10.71312     18.33504        -0.016014      0.072793     -0.152980
      1.34317     12.59333     19.11671        -0.051886     -0.422615     -0.106883
      0.75879     21.18937     13.17444        -0.169541      0.002327     -0.184915
      3.56495     17.84646     15.56172         0.019804      0.038800      0.057787
      3.95932     20.24785     15.90683        -0.245250      0.059464      0.128723
      1.03475      1.88898     13.50277        -0.008660      0.126605     -0.089600
      3.82372      0.86363     16.61915        -0.073703     -0.022284      0.222234
      4.38146      3.22772     16.93673        -0.210321      0.027333      0.028928
     20.04367      8.86564     13.80889        -0.130966      0.012413     -0.079098
     21.03425      6.72666     13.63885        -0.172026      0.175851     -0.052675
      3.32737      8.22180     15.48364        -0.225967      0.096141     -0.355840
     18.06024     13.12844     13.62251         0.079861     -0.056584      0.327246
      1.34478     12.51678     15.12988         0.114626      0.045280      0.207284
      0.36969     14.64777     15.37549         0.187149     -0.028413      0.056518
     17.64679      2.55851      7.35773         0.053083     -0.023740      0.272007
     14.70075      0.94757      3.69794         0.119363      0.055684     -0.006923
     14.76094      3.34145      4.26095         0.079452      0.090167     -0.067430
     17.79611      4.72669      7.59597        -0.022910     -0.070669      0.300614
     14.73878      5.15880      4.58393        -0.028131     -0.127760     -0.138841
     14.72782      7.56733      4.91844         0.092776     -0.024878     -0.142852
     20.31133     10.92458     10.68072        -0.038231     -0.050510      0.156293
     19.18036      9.01775      9.81457         0.131882      0.159211      0.146840
     16.58599     11.61236      7.66508        -0.183410      0.015891      0.119182
      1.34060     14.43278     12.58597        -0.198124      0.036650     -0.213864
     18.26816     15.15212     10.52350        -0.066765     -0.102209     -0.113928
     19.59141     17.05061     11.17642        -0.389751     -0.014254     -0.005525
     19.39136      4.42742      5.22060        -0.070707      0.173271     -0.057522
      0.00938      0.72917      7.99271         0.079613      0.130441     -0.050817
      0.03908      3.03702      8.85473        -0.039410      0.002668      0.099318
     19.64570      6.22377      5.78443        -0.263039     -0.016565     -0.015152
     -0.09178      5.00327      9.58696        -0.053683      0.001480      0.218840
      0.63036      7.31117     10.07419        -0.276805      0.032091     -0.060896
     18.44861     13.37467      4.91659        -0.101372      0.171269     -0.087564
     19.07661     11.14206      5.27844        -0.192280      0.184993     -0.253803
      0.40570     12.34706      8.42698         0.135562     -0.033703     -0.190748
     17.21124     17.80940      4.05341         0.122820     -0.046278     -0.088292
     20.21360     16.78983      7.72534        -0.040048     -0.091725      0.019971
     19.14769     18.89236      7.68320         0.117007     -0.158766      0.087727
     13.92642     19.30127     10.78054        -0.104292     -0.101644     -0.074886
     18.96474     21.00667      3.59539         0.153934      0.024498     -0.118573
     12.75805      1.19809      2.64826         0.038584      0.243467      0.067396
     13.64613     11.59579      4.44982        -0.090647     -0.660458      0.270877
      9.53732      2.62599      2.81248         0.118951      0.098127     -0.143298
     10.48376     12.72938      5.34904         0.057129     -0.092452     -0.283949
      9.96222      5.13396     15.89960         0.032721      0.131655     -0.073534
     10.71482     15.66072     17.80338         0.064203     -0.418606      0.082083
      6.92992      6.43550     15.48850         0.218243     -0.012572      0.037305
      7.35467     16.62963     18.29842         0.030953     -0.152622     -0.092516
      6.70608      8.93804      7.42281        -0.014327      0.138204     -0.006149
      7.58532     19.40437      9.07581        -0.237797     -0.322264      0.048619
      3.49706     10.16182      8.89576         0.089767      0.190674     -0.041215
      4.17869     20.52052     10.53672         0.019559     -0.197206     -0.153167
      1.90279     12.30445      1.76566        -0.017505      0.095042      0.337263
      1.21612      1.70837      3.36215         0.109033     -0.159813      0.109911
      3.72030     12.73158     20.28526        -0.010309      0.102527     -0.025257
      4.27764      1.90956      2.09894        -0.070624     -0.409081     -0.219979
     19.19869     15.43601     14.46686         0.323580      0.243770      0.297127
     20.03338      4.50074     16.01253         0.089753     -0.180856     -0.075103
      0.69357     16.97763     12.57260        -0.211511      0.096521     -0.243220
      2.12186      5.88811     14.50465        -0.452897     -0.114990     -0.221818
     17.33584     19.80728      5.90387         0.060528      0.190657     -0.097996
     17.26061      8.94343      7.99254         0.084242     -0.152378      0.052159
     19.42394      0.42425      4.20109         0.205200      0.530388      0.492554
     20.68458     10.11503      7.08831        -0.423814     -0.257193     -0.282283
     12.40086      2.27859      4.73084        -0.132891      0.049168      0.412113
     13.49881      1.02432      0.41054         0.185327     -0.279835     -0.371194
     13.26575      9.85012      6.03883        -0.112396     -0.004524     -0.206449
     13.81804     12.58281      2.30866         0.115184      0.179568     -0.051770
      9.69990      4.48596      1.34113        -0.043328      0.039924     -0.272996
      9.29727      1.48861      4.88987         0.142133      0.405691     -0.435109
     10.42485     11.70159      3.20876        -0.049626      0.025745     -0.516855
     10.18235     12.89045      7.68439        -0.065599      0.395895      0.488802
      9.85945      6.24925     17.98869        -0.118661     -0.030827      1.515216
     10.71956      4.92807     13.68529         1.061002     -2.189786     -2.851415
     10.44848     13.90048     19.40178         0.081216      0.013511     -0.055582
     10.98081     16.63292     15.66807         0.073828      0.212672     -0.080626
      7.01076      8.32374     14.06073        -0.014908      0.167655     -0.609145
      6.55523      5.30229     17.55023         0.070965     -0.257874     -0.002640
      7.61127     15.72498     16.11974        -0.062726      0.049969     -0.744644
      7.07476     16.63814     20.63054        -0.108058      0.509533      0.848136
      6.62524     10.08707      9.51076         0.104697      0.042457      0.032022
      7.11161      8.68639      5.11606        -0.068050      0.113861      0.145227
      7.22297     17.70503     10.69869         0.105691     -0.048281     -0.330198
      7.91318     20.33439      6.92656        -0.227471     -0.168062      0.107068
      3.10548     11.96048      7.40418         0.076379      0.018850     -0.011245
      3.91036      9.09906     10.98315        -0.000913     -0.173524      0.100892
      4.13349     19.37277      8.43923        -0.214038     -0.069992      0.401054
      4.32777     20.74605     12.88083         0.045879     -0.746971     -1.104804
      2.97150     13.38187      3.61246        -0.327431     -0.126684     -0.352929
      0.28051     12.17785      0.03614        -0.104932     -0.170486     -0.050513
      2.18817      0.15357      4.90542        -0.040922      0.091203     -0.233669
      0.17916      2.44059      1.37546         0.023301     -0.068168      0.136417
      2.94454     14.54940     18.95581        -0.270018      0.108971     -0.437509
      5.03915     11.70236      0.67529         0.176416     -0.461126      0.257516
      3.12777      1.10925      0.18345        -0.068113     -0.015622     -0.120270
      5.79680      1.79255      3.91219        -0.183749     -0.148976     -0.254548
     -0.45125     16.64307     15.74034        -0.077619      0.041694      0.065754
     17.28109     15.10696     13.14244        -0.539313     -0.347109     -0.180235
      0.07812      2.73608     16.90480         0.188729     -0.203520      0.231256
     18.36308      5.55542     14.73091        -0.131490     -0.034218     -0.091429
     21.03051     18.88697     11.48096         0.089515     -0.242726      0.097918
      2.19389     15.78149     13.98177         0.025654     -0.490953      0.034035
      0.45822      4.80475     13.17931        -1.341099      0.081980     -1.169764
      4.06626      6.05571     15.80792        -0.741169     -0.528232     -0.351306
     18.18906     20.83465      7.87482         0.263054      0.018722      0.280446
     15.86866     19.57140      4.06368        -0.081232     -0.191128     -0.265805
     18.19685      7.18935      9.30914        -0.201782      0.039685     -0.211711
     15.95568      9.93313      6.31055         0.191611     -0.164181     -0.035526
     18.41862      2.38372      3.38689         0.197086     -0.167481      0.085626
     20.65447     20.20502      5.53097        -0.044990     -0.191198      0.107162
     19.33832      9.18059      5.34681         0.394059     -0.226267      0.635542
      0.76667     10.14888      9.02801        -0.944020     -0.722385     -0.803401
     13.93207     17.50691      5.29581        -0.103705      0.217972     -0.006886
     15.84832     16.53807      5.60349        -0.091509      0.060615      0.032285
     14.71580     16.23304      3.74091        -0.010150      0.064588      0.091633
     11.97811     15.38681     11.45011        -0.180570     -0.133281      0.113331
     11.42589     14.60376      9.49971         0.012815     -0.062372      0.025152
     13.26701     13.91504     10.51624         0.003231     -0.130061      0.057747
     11.91151     18.00373      7.25562         0.190704      0.030315      0.111607
      9.97016     18.45103      6.42920        -0.099976      0.111632      0.005601
     10.21604     16.77996      7.81128        -0.090950     -0.013597      0.202714
     13.13972     18.51652      0.08930         0.224972     -0.111627     -0.158776
     14.05496     17.06274      1.42639         0.353933     -0.159129     -0.018741
     11.95486     16.90211      0.89130        -0.304589     -0.544600     -0.220044
     10.60561      0.32545     18.49297         0.034570      0.276542     -0.222376
     12.63597     -0.33191     18.92915         0.304792     -0.012319      0.099579
     11.66980     20.37410     17.05237         0.201663     -0.061178     -0.064818
      8.78788     19.37267      3.59295        -0.096135     -0.154187     -0.139228
      7.83174     18.74731      1.70983         0.245238      0.077936     -0.141645
      9.75494     17.94694      2.31361         0.204048     -0.202796     -0.099519
      7.84016      0.76325     20.36721        -0.108019      0.095093      0.168746
      6.03110      1.03866     19.15831        -0.151826      0.117769     -0.178642
      6.14629     20.69872     20.63206        -0.195687     -0.123745      0.084909
      9.65798      1.13303     13.25408         0.414899     -0.131570      0.398240
     10.87637     21.22153     14.65319         0.203788      0.006717     -0.008512
      8.83698     20.62634     14.16734         0.123730     -0.187894     -0.254356
      8.13981      4.04931      9.76925         0.257407      0.015920     -0.271858
     10.01215      3.14156     10.43658         0.065381     -0.104110      0.128493
      9.17065      2.63471      8.49332         0.347377     -0.124253     -0.083207
      6.03331      1.90329     16.15072         0.150878     -0.118049     -0.532505
      5.03696      1.43997     14.21274        -0.083305      0.191056      0.215495
      6.79946      0.43693     14.80091         0.539580      0.053543      0.050488
      5.32863      5.01111     12.05618        -0.286287     -0.026224      0.033593
      3.19382      4.64259     11.83322        -0.151776     -0.275939     -0.124046
      4.39663      3.32896     12.98248         0.088812     -0.288839      0.483545
      7.17326      4.52128      5.22328         0.002014     -0.245304     -0.103209
      7.26620      2.92267      6.69146         0.280824      0.029045      0.062312
      5.33432      3.59082      5.98117        -0.125498     -0.215068     -0.103846
     -0.46391      7.22739      4.48911         0.134290     -0.035067     -0.100053
      1.30439      7.54182      3.35378        -0.044703      0.051093     -0.533872
     -0.29824      6.16977      2.65041        -0.142450      0.064147     -0.017270
      3.28559      5.61266      9.81456         0.077295      0.043713      0.076399
      1.85657      4.45967      8.74199         0.094043      0.010311      0.032490
      3.81616      4.77241      7.85335         0.276708     -0.288266      0.000534
      6.04646      6.98333      3.47742        -0.240793      0.080387      0.090580
      4.10486      7.42047      4.50837         0.150984      0.124833     -0.003594
      5.17644      5.69225      5.03884        -0.245525      0.271564     -0.261955
      0.49705      8.46927     20.51017        -0.049289      0.052055      0.214609
      2.15062      7.00220     -0.80208        -0.399872      0.267205     -0.221625
      0.54174      6.86438      0.65839        -0.025591      0.284507     -0.214749
     19.43897      9.41723     18.91433         0.070701     -0.126198     -0.052295
     19.97794     10.33881     16.99766        -0.140276     -0.000465      0.014494
     18.37907      8.87299     17.07361         0.240751     -0.013986      0.317321
      4.87515      8.01550     19.94578        -0.312413     -0.218015     -0.183618
      3.77820      6.62257     18.76046        -0.281631     -0.505077      0.447828
      4.67196      8.22775     17.69694         0.071953      0.030189      0.162131
      3.37169     11.44149     14.58641         0.005274      0.011337     -0.110173
      2.33972     11.60091     16.48964         0.107345      0.085238      0.089999
      3.86411     10.10720     16.23180         0.294836     -0.061524     -0.105099
     17.37679     11.33698     13.09550        -0.206101     -0.156052      0.080739
     18.93324      9.95682     12.53976         0.035386     -0.429087     -0.207954
     18.02347      9.82305     14.52689        -0.127269     -0.246465      0.207506
     16.28155     14.23602      9.83591         0.013399     -0.013542      0.082670
     17.86601     14.87953      8.46391         0.055542      0.251619     -0.081861
     16.24245     13.65528      7.72928         0.020715      0.064925     -0.084920
      1.71108     12.50361     12.58999        -0.162483     -0.120359     -0.323408
      0.22462     11.05540     12.06258        -0.177826     -0.214014      0.033216
      1.30479     12.04974     10.48478         0.214793      0.076043     -0.108874
      1.12231     15.63768      7.27607         0.138060      0.201594     -0.140250
     20.96528     15.69598      8.95331         0.265578      0.119604      0.067703
      1.23874     14.20124      8.91097         0.405459     -0.089603      0.030550
     17.13843     16.05597      2.91606         0.131006      0.005559     -0.274025
     18.76436     14.64800      3.17692         0.165630     -0.026949     -0.063101
     16.92350     14.44953      4.37967         0.042142      0.028543     -0.293648
 -----------------------------------------------------------------------------------
    total drift:                               -0.016733      0.011574      0.009008


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4562.0345633846 eV

  energy  without entropy=    -4562.1834037964  energy(sigma->0) =    -4562.08417686
 
 d Force = 0.4429672E-01[-0.608E-03, 0.892E-01]  d Energy = 0.4445180E-01-0.155E-03
 d Force = 0.2851042E+03[ 0.285E+03, 0.285E+03]  d Ewald  = 0.2851045E+03-0.367E-03


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   42(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.4334821E+00  (-0.7047733E+02)
 number of electron    2498.0000022 magnetization 
 augmentation part      162.7590470 magnetization 

  free energy =  -0.456160108512E+04  energy without entropy=  -0.456174956481E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   42(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3600
 total energy-change (2. order) :-0.1665256E+01  (-0.1974184E+01)
 number of electron    2498.0000020 magnetization 
 augmentation part      162.8580208 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8438
  0.8438

  free energy =  -0.456326634098E+04  energy without entropy=  -0.456341516300E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   42(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3688
 total energy-change (2. order) : 0.5842428E-01  (-0.3614591E-01)
 number of electron    2498.0000020 magnetization 
 augmentation part      162.7791882 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3919
  1.0975  1.6863

  free energy =  -0.456320791670E+04  energy without entropy=  -0.456335671705E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   42(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3608
 total energy-change (2. order) :-0.4715412E-02  (-0.3084508E-01)
 number of electron    2498.0000020 magnetization 
 augmentation part      162.6859898 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2663
  2.1412  0.8713  0.7864

  free energy =  -0.456321263211E+04  energy without entropy=  -0.456336126747E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   42(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) :-0.3237248E-02  (-0.6416257E-02)
 number of electron    2498.0000020 magnetization 
 augmentation part      162.7110845 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3294
  2.3596  0.9140  1.0219  1.0219

  free energy =  -0.456321586936E+04  energy without entropy=  -0.456336473348E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   42(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) : 0.2753127E-02  (-0.3837447E-02)
 number of electron    2498.0000020 magnetization 
 augmentation part      162.7272981 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2954
  2.3909  1.0920  1.0920  0.9512  0.9512

  free energy =  -0.456321311624E+04  energy without entropy=  -0.456336177325E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   42(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) :-0.2388816E-03  (-0.6023586E-03)
 number of electron    2498.0000020 magnetization 
 augmentation part      162.7355952 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2679
  2.4315  0.9804  0.9804  1.2301  1.2301  0.7548

  free energy =  -0.456321335512E+04  energy without entropy=  -0.456336234524E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   42(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) : 0.5523188E-04  (-0.1008737E-03)
 number of electron    2498.0000020 magnetization 
 augmentation part      162.7385694 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2181
  2.4459  1.0597  1.0597  1.2471  1.2119  0.7513  0.7513

  free energy =  -0.456321329989E+04  energy without entropy=  -0.456336205073E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   42(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) :-0.8236122E-04  (-0.6093876E-04)
 number of electron    2498.0000020 magnetization 
 augmentation part      162.7341737 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2246
  2.5057  1.0197  1.0197  1.4402  1.2588  0.9625  0.9625  0.6278

  free energy =  -0.456321338225E+04  energy without entropy=  -0.456336221888E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   42(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) :-0.9661552E-04  (-0.7605469E-05)
 number of electron    2498.0000020 magnetization 
 augmentation part      162.7338017 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2399
  2.6032  1.8350  1.0546  1.0546  1.2664  0.9312  0.9312  0.8788  0.6037

  free energy =  -0.456321347886E+04  energy without entropy=  -0.456336229979E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   42(  11)  ---------------------------------------



 eigenvalue-minimisations  :  3000
 total energy-change (2. order) :-0.9302766E-04  (-0.3517737E-05)
 number of electron    2498.0000020 magnetization 
 augmentation part      162.7335372 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2370
  2.6147  1.9142  1.0362  1.0362  1.3153  1.0013  1.0013  0.9180  0.9180  0.6153

  free energy =  -0.456321357189E+04  energy without entropy=  -0.456336238865E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   42(  12)  ---------------------------------------



 eigenvalue-minimisations  :  2408
 total energy-change (2. order) :-0.8431065E-04  (-0.9263541E-06)
 number of electron    2498.0000020 magnetization 
 augmentation part      162.7337109 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3025
  2.7459  2.4241  1.3981  1.3981  1.0435  1.0435  0.9626  0.9626  0.8625  0.8625
  0.6239

  free energy =  -0.456321365620E+04  energy without entropy=  -0.456336248351E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   42(  13)  ---------------------------------------



 eigenvalue-minimisations  :  2648
 total energy-change (2. order) :-0.1144050E-03  (-0.1405028E-05)
 number of electron    2498.0000020 magnetization 
 augmentation part      162.7339653 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3293
  3.1862  2.5335  1.4509  1.4509  1.0459  1.0459  0.9742  0.9742  0.9447  0.9447
  0.7744  0.6258

  free energy =  -0.456321377061E+04  energy without entropy=  -0.456336259454E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   42(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2392
 total energy-change (2. order) :-0.4980838E-04  (-0.6823308E-06)
 number of electron    2498.0000020 magnetization 
 augmentation part      162.7338018 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3615
  3.7861  2.5553  1.5256  1.5256  1.0535  1.0535  1.1035  1.1035  0.9551  0.9551
  0.7652  0.6879  0.6292

  free energy =  -0.456321382041E+04  energy without entropy=  -0.456336264528E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   42(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2304
 total energy-change (2. order) :-0.3397066E-04  (-0.3576746E-06)
 number of electron    2498.0000020 magnetization 
 augmentation part      162.7336583 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3912
  4.2619  2.5798  1.8097  1.4468  1.0545  1.0545  1.0110  1.0110  0.9712  0.9712
  0.9795  0.9795  0.6289  0.7167

  free energy =  -0.456321385438E+04  energy without entropy=  -0.456336267914E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   42(  16)  ---------------------------------------



 eigenvalue-minimisations  :  2272
 total energy-change (2. order) :-0.1600682E-04  (-0.1463760E-06)
 number of electron    2498.0000020 magnetization 
 augmentation part      162.7336499 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4530
  4.8055  2.6081  2.0537  1.0567  1.0567  1.3553  1.3553  1.2432  1.2432  0.9434
  0.9434  0.9980  0.8167  0.6262  0.6903

  free energy =  -0.456321387039E+04  energy without entropy=  -0.456336269416E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   42(  17)  ---------------------------------------



 eigenvalue-minimisations  :  2288
 total energy-change (2. order) :-0.1278217E-04  (-0.1373707E-06)
 number of electron    2498.0000020 magnetization 
 augmentation part      162.7337220 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4846
  5.4053  2.6973  2.3562  1.5275  1.5275  1.0566  1.0566  1.0880  1.0880  0.9502
  0.9502  0.9320  0.9320  0.8572  0.6254  0.7046

  free energy =  -0.456321388317E+04  energy without entropy=  -0.456336270760E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   42(  18)  ---------------------------------------



 eigenvalue-minimisations  :  2240
 total energy-change (2. order) :-0.3883935E-05  (-0.5212549E-07)
 number of electron    2498.0000020 magnetization 
 augmentation part      162.7337220 magnetization 

  free energy =  -0.456321388706E+04  energy without entropy=  -0.456336271090E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0125       2 -56.1630       3 -56.0609       4 -55.7870       5 -55.7870
       6 -56.2971       7 -58.0930       8 -58.3141       9 -56.2825      10 -55.9685
      11 -56.0278      12 -55.7855      13 -55.7687      14 -55.9589      15 -58.0310
      16 -58.1265      17 -56.3268      18 -54.9353      19 -54.8779      20 -55.1326
      21 -55.6419      22 -55.6762      23 -55.7538      24 -55.6440      25 -54.9725
      26 -54.8460      27 -54.9707      28 -54.9409      29 -60.3913      30 -60.3538
      31 -55.6070      32 -55.8171      33 -55.7058      34 -55.2452      35 -55.4658
      36 -55.9575      37 -57.7949      38 -58.0829      39 -56.0630      40 -55.7784
      41 -55.9273      42 -55.6991      43 -55.7427      44 -55.8904      45 -58.0421
      46 -58.2323      47 -56.4726      48 -55.1651      49 -55.0049      50 -55.2998
      51 -55.9188      52 -55.8957      53 -55.7976      54 -55.7384      55 -55.1121
      56 -54.8645      57 -54.9943      58 -56.3545      59 -60.3689      60 -60.6245
      61 -55.9591      62 -56.0378      63 -55.9026      64 -55.7430      65 -55.7204
      66 -56.2125      67 -58.0189      68 -58.1646      69 -56.2552      70 -55.9114
      71 -56.0602      72 -55.7358      73 -55.6791      74 -55.9265      75 -58.0368
      76 -58.2544      77 -56.4812      78 -55.1042      79 -55.0248      80 -55.2967
      81 -55.8321      82 -55.8828      83 -55.9700      84 -55.9623      85 -55.1716
      86 -55.1186      87 -55.2133      88 -56.4649      89 -60.7358      90 -60.4203
      91 -55.6592      92 -55.7859      93 -55.6775      94 -55.4217      95 -55.4995
      96 -55.9938      97 -57.8369      98 -57.9909      99 -56.1098     100 -55.8689
     101 -56.0098     102 -55.6036     103 -55.6745     104 -55.9140     105 -58.0744
     106 -58.2656     107 -56.5082     108 -55.1600     109 -54.9980     110 -55.3986
     111 -55.9287     112 -55.8477     113 -55.7904     114 -55.7901     115 -55.1369
     116 -54.9305     117 -55.0261     118 -56.3955     119 -60.4939     120 -60.5859
     121 -55.8915     122 -55.9772     123 -55.8296     124 -55.7295     125 -55.7340
     126 -56.1294     127 -58.0061     128 -58.2286     129 -56.0476     130 -55.7265
     131 -55.8605     132 -55.5920     133 -55.5475     134 -55.7834     135 -57.8954
     136 -58.0249     137 -56.4175     138 -55.0816     139 -54.9780     140 -55.2330
     141 -55.8052     142 -55.8979     143 -55.9543     144 -55.9153     145 -55.1455
     146 -55.1361     147 -55.1847     148 -56.4147     149 -60.6308     150 -60.5378
     151 -55.5268     152 -55.6008     153 -55.4458     154 -55.2786     155 -55.3665
     156 -55.8223     157 -57.8512     158 -57.8442     159 -55.8865     160 -55.6539
     161 -55.8621     162 -55.4474     163 -55.5426     164 -55.7524     165 -57.9749
     166 -58.1968     167 -56.4455     168 -55.0973     169 -54.9345     170 -55.3044
     171 -55.9646     172 -55.9569     173 -55.8635     174 -55.7457     175 -55.2922
     176 -54.7643     177 -54.9978     178 -56.3944     179 -60.4290     180 -60.6184
     181 -55.9173     182 -56.1216     183 -55.9443     184 -55.6758     185 -55.6745
     186 -56.2028     187 -58.0350     188 -58.2246     189 -56.2040     190 -55.8355
     191 -55.9937     192 -55.7225     193 -55.6943     194 -55.8973     195 -58.0283
     196 -58.2354     197 -56.4906     198 -55.0351     199 -54.9821     200 -55.3075
     201 -55.8795     202 -55.9803     203 -55.9108     204 -55.8313     205 -55.1636
     206 -55.2056     207 -55.1117     208 -56.4179     209 -60.7478     210 -60.5140
     211 -55.9401     212 -56.1094     213 -55.9363     214 -55.7144     215 -55.6860
     216 -56.2099     217 -58.0837     218 -58.2872     219 -56.1059     220 -55.7839
     221 -55.8964     222 -55.5818     223 -55.4734     224 -55.7788     225 -57.9314
     226 -58.1261     227 -56.4575     228 -55.0380     229 -55.0164     230 -55.1818
     231 -55.7095     232 -55.9632     233 -56.0207     234 -55.6970     235 -55.1221
     236 -55.1492     237 -55.1791     238 -56.4752     239 -60.3949     240 -60.3396
     241 -55.9167     242 -55.9856     243 -55.8518     244 -55.7089     245 -55.7303
     246 -56.1771     247 -57.9862     248 -58.1820     249 -56.1695     250 -55.8453
     251 -55.9698     252 -55.6957     253 -55.6975     254 -55.8938     255 -57.9462
     256 -58.0909     257 -56.3678     258 -55.0768     259 -54.9095     260 -55.1965
     261 -55.7931     262 -55.8283     263 -55.9012     264 -55.9778     265 -55.4009
     266 -54.9725     267 -55.1372     268 -56.4680     269 -60.6416     270 -60.3535
     271 -55.8684     272 -55.9548     273 -55.7692     274 -55.6921     275 -55.6645
     276 -56.0462     277 -58.1092     278 -58.2017     279 -55.8669     280 -55.6251
     281 -55.7400     282 -55.4433     283 -55.4153     284 -55.7003     285 -57.9145
     286 -58.0944     287 -56.4180     288 -55.0006     289 -54.9475     290 -55.2892
     291 -55.8567     292 -55.8545     293 -55.8463     294 -55.7603     295 -55.0983
     296 -54.9002     297 -54.9984     298 -56.3461     299 -60.3590     300 -60.5252
     301 -55.8619     302 -56.0099     303 -55.8681     304 -55.5840     305 -55.6137
     306 -56.1044     307 -58.0477     308 -58.2537     309 -56.1304     310 -55.8022
     311 -55.9635     312 -55.6681     313 -55.6319     314 -55.8675     315 -57.9640
     316 -58.1238     317 -56.4186     318 -55.0292     319 -54.9167     320 -55.2200
     321 -55.7945     322 -55.8194     323 -55.9438     324 -55.9220     325 -55.1676
     326 -55.1349     327 -55.2149     328 -56.4567     329 -60.6380     330 -60.3676
     331 -55.7899     332 -55.8053     333 -55.6808     334 -55.6318     335 -55.5912
     336 -56.0375     337 -57.9901     338 -57.9625     339 -55.8715     340 -55.5352
     341 -55.7317     342 -55.5075     343 -55.5315     344 -55.7260     345 -57.9046
     346 -58.0328     347 -56.3858     348 -54.9234     349 -54.9232     350 -55.2272
     351 -55.7691     352 -55.8413     353 -55.8113     354 -55.7233     355 -55.1920
     356 -54.8663     357 -54.9768     358 -56.3857     359 -60.4110     360 -60.4979
     361 -39.1299     362 -38.8086     363 -39.0160     364 -39.0774     365 -39.0507
     366 -38.7641     367 -38.0973     368 -38.1147     369 -38.0769     370 -38.1430
     371 -38.1637     372 -38.1837     373 -38.8035     374 -38.3442     375 -38.7252
     376 -38.8696     377 -38.8989     378 -38.7919     379 -38.2065     380 -38.1597
     381 -38.2515     382 -38.0721     383 -38.2193     384 -38.0217     385 -38.8606
     386 -38.7572     387 -38.8501     388 -38.9129     389 -38.8856     390 -38.5882
     391 -38.3011     392 -38.2107     393 -38.1899     394 -38.1020     395 -38.2797
     396 -38.3310     397 -38.7581     398 -38.3722     399 -38.7492     400 -38.9225
     401 -38.7534     402 -38.8029     403 -38.3399     404 -38.2104     405 -38.3821
     406 -38.1354     407 -38.1094     408 -37.9243     409 -38.8142     410 -38.7838
     411 -39.0000     412 -38.7537     413 -38.9267     414 -38.6130     415 -38.2066
     416 -38.2130     417 -38.1359     418 -38.1444     419 -38.1681     420 -38.2636
     421 -38.5412     422 -38.2419     423 -38.5587     424 -38.6941     425 -38.5906
     426 -38.6342     427 -38.1821     428 -38.1305     429 -38.3244     430 -38.2181
     431 -38.1731     432 -38.0086     433 -38.8273     434 -38.6827     435 -39.0037
     436 -38.7917     437 -39.0411     438 -38.6797     439 -38.4858     440 -38.1502
     441 -38.2033     442 -38.1632     443 -38.3312     444 -38.0775     445 -38.9049
     446 -38.8025     447 -38.9143     448 -38.7948     449 -38.8048     450 -38.3832
     451 -38.0966     452 -37.9774     453 -38.0736     454 -38.0867     455 -38.1171
     456 -38.1848     457 -38.8988     458 -38.6968     459 -38.9239     460 -38.9045
     461 -38.9290     462 -38.6897     463 -38.1618     464 -38.2220     465 -38.1250
     466 -38.3385     467 -38.1125     468 -38.2126     469 -38.8822     470 -38.7514
     471 -38.7898     472 -38.7637     473 -38.5996     474 -38.3819     475 -38.1700
     476 -38.0655     477 -38.1444     478 -38.0161     479 -38.1657     480 -38.0043
     481 -38.8967     482 -38.7720     483 -38.9115     484 -38.8753     485 -38.9615
     486 -38.7765     487 -38.1867     488 -38.1643     489 -38.1317     490 -38.1890
     491 -38.2392     492 -38.3823     493 -38.8120     494 -38.5257     495 -38.7055
     496 -38.7541     497 -38.5946     498 -38.5392     499 -38.1830     500 -37.9656
     501 -38.1932     502 -38.1262     503 -38.0985     504 -37.9770     505 -38.2792
     506 -41.1107     507 -71.6989     508 -71.6274     509 -71.4696     510 -71.6086
     511 -71.5505     512 -71.6196     513 -71.3633     514 -71.6254     515 -71.6010
     516 -71.4417     517 -71.3848     518 -71.4172     519 -71.5865     520 -71.7206
     521 -71.5870     522 -71.5256     523 -71.5465     524 -71.4550     525 -71.6668
     526 -71.3984     527 -71.6044     528 -71.5433     529 -71.2851     530 -71.4600
     531 -76.9760     532 -76.6972     533 -76.7966     534 -76.5955     535 -76.7309
     536 -76.4609     537 -76.9644     538 -76.6496     539 -76.7294     540 -76.5833
     541 -76.9118     542 -76.6266     543 -76.6411     544 -76.5097     545 -76.9547
     546 -76.6967     547 -76.8825     548 -76.6634     549 -76.6423     550 -76.5139
     551 -76.4886     552 -76.5322     553 -76.9549     554 -76.7295     555 -76.7316
     556 -76.7781     557 -76.8789     558 -76.6662     559 -76.8589     560 -76.7471
     561 -76.7453     562 -76.5552     563 -76.8917     564 -76.5588     565 -76.7523
     566 -76.5406     567 -76.8510     568 -76.7443     569 -76.8399     570 -76.5641
     571 -76.9100     572 -76.6875     573 -76.7473     574 -76.5929     575 -76.5581
     576 -76.5934     577 -76.7539     578 -76.4809     579 -82.4870     580 -82.2884
     581 -82.2898     582 -82.3818     583 -82.2514     584 -82.2443     585 -82.4638
     586 -82.5438     587 -82.6604     588 -82.2686     589 -82.1682     590 -82.3583
     591 -82.4770     592 -82.2341     593 -82.3322     594 -82.7232     595 -82.4632
     596 -82.7493     597 -82.4194     598 -82.4945     599 -82.6540     600 -82.2842
     601 -82.2538     602 -82.5805     603 -82.5807     604 -82.3387     605 -82.6350
     606 -82.5957     607 -82.5360     608 -82.4784     609 -82.6354     610 -82.3650
     611 -82.5298     612 -82.4712     613 -82.3100     614 -82.1969     615 -82.4557
     616 -82.5983     617 -82.3998     618 -82.9243     619 -82.7284     620 -82.8511
     621 -82.2096     622 -82.4103     623 -82.3972     624 -82.4638     625 -82.3252
     626 -82.2812     627 -82.2244     628 -82.2796     629 -82.1780     630 -82.4892
     631 -82.6037     632 -82.3006     633 -82.3867     634 -82.4243     635 -82.5345
     636 -82.2618     637 -82.2643     638 -82.2100     639 -82.1281     640 -82.3614
     641 -82.3294     642 -82.5146     643 -82.6114     644 -82.4544     645 -82.3575
     646 -82.4845     647 -82.5629     648 -82.3536     649 -82.2962     650 -82.2595
 
 
 
 E-fermi :  -1.4612     XC(G=0):  -6.4554     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.4389      2.00000
      2     -29.0914      2.00000
      3     -29.0111      2.00000
      4     -28.9945      2.00000
      5     -28.9921      2.00000
      6     -28.9796      2.00000
      7     -28.9597      2.00000
      8     -28.8834      2.00000
      9     -28.8671      2.00000
     10     -28.8491      2.00000
     11     -28.8446      2.00000
     12     -28.8421      2.00000
     13     -28.8381      2.00000
     14     -28.8377      2.00000
     15     -28.7968      2.00000
     16     -28.7463      2.00000
     17     -28.7131      2.00000
     18     -28.6575      2.00000
     19     -28.6559      2.00000
     20     -28.6159      2.00000
     21     -28.6007      2.00000
     22     -28.5877      2.00000
     23     -28.5616      2.00000
     24     -28.4884      2.00000
     25     -27.2509      2.00000
     26     -26.8216      2.00000
     27     -26.8118      2.00000
     28     -26.7613      2.00000
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   1178      -2.6887      2.00000
   1179      -2.6786      2.00000
   1180      -2.6407      2.00000
   1181      -2.6239      2.00000
   1182      -2.6050      2.00000
   1183      -2.5950      2.00000
   1184      -2.5834      2.00000
   1185      -2.5811      2.00000
   1186      -2.5683      2.00000
   1187      -2.5624      2.00000
   1188      -2.5555      2.00000
   1189      -2.5489      2.00000
   1190      -2.5411      2.00000
   1191      -2.5309      2.00000
   1192      -2.5203      2.00000
   1193      -2.4973      2.00000
   1194      -2.4897      2.00000
   1195      -2.4854      2.00000
   1196      -2.4705      2.00000
   1197      -2.4629      2.00000
   1198      -2.4621      2.00000
   1199      -2.4538      2.00000
   1200      -2.4500      2.00000
   1201      -2.4454      2.00000
   1202      -2.4341      2.00000
   1203      -2.4322      2.00000
   1204      -2.4283      2.00000
   1205      -2.4200      2.00000
   1206      -2.4116      2.00000
   1207      -2.4046      2.00000
   1208      -2.3950      2.00000
   1209      -2.3862      2.00000
   1210      -2.3812      2.00000
   1211      -2.3670      2.00000
   1212      -2.3592      2.00000
   1213      -2.3550      2.00000
   1214      -2.3446      2.00000
   1215      -2.3350      2.00000
   1216      -2.3298      2.00000
   1217      -2.3240      2.00000
   1218      -2.3225      2.00000
   1219      -2.3152      2.00000
   1220      -2.3126      2.00000
   1221      -2.2984      2.00000
   1222      -2.2917      2.00000
   1223      -2.2839      2.00000
   1224      -2.2751      2.00000
   1225      -2.2718      2.00000
   1226      -2.2619      2.00000
   1227      -2.2517      2.00000
   1228      -2.2489      2.00000
   1229      -2.2258      2.00000
   1230      -2.2243      2.00000
   1231      -2.2093      2.00000
   1232      -2.2012      2.00000
   1233      -2.1849      2.00000
   1234      -2.1764      2.00001
   1235      -2.1707      2.00001
   1236      -2.1436      2.00002
   1237      -2.1306      2.00002
   1238      -1.8165      2.03068
   1239      -1.7333      2.06623
   1240      -1.7118      2.07068
   1241      -1.6958      2.07003
   1242      -1.6829      2.06606
   1243      -1.6572      2.04586
   1244      -1.6397      2.02022
   1245      -1.6233      1.98542
   1246      -1.6159      1.96590
   1247      -1.6107      1.95076
   1248      -1.5879      1.86892
   1249      -1.5856      1.85918
   1250       0.1167     -0.00000
   1251       0.1581     -0.00000
   1252       0.1905     -0.00000
   1253       0.2086     -0.00000
   1254       0.2289     -0.00000
   1255       0.2599     -0.00000
   1256       0.2718     -0.00000
   1257       0.3110     -0.00000
   1258       0.3216     -0.00000
   1259       0.3566     -0.00000
   1260       0.3637     -0.00000
   1261       0.5225     -0.00000
   1262       0.5953     -0.00000
   1263       0.6346     -0.00000
   1264       0.6814     -0.00000
   1265       0.7041     -0.00000
   1266       0.7089     -0.00000
   1267       0.7285     -0.00000
   1268       0.7575     -0.00000
   1269       0.7653     -0.00000
   1270       0.7700     -0.00000
   1271       0.7783     -0.00000
   1272       0.7839     -0.00000
   1273       0.8222     -0.00000
   1274       0.8656     -0.00000
   1275       0.8777     -0.00000
   1276       0.8931     -0.00000
   1277       0.9226     -0.00000
   1278       0.9414     -0.00000
   1279       0.9561     -0.00000
   1280       1.0126     -0.00000
   1281       1.0407     -0.00000
   1282       1.0505     -0.00000
   1283       1.0933     -0.00000
   1284       1.1083     -0.00000
   1285       1.1439     -0.00000
   1286       1.1762     -0.00000
   1287       1.2328     -0.00000
   1288       1.3053     -0.00000
   1289       1.3139     -0.00000
   1290       1.3478     -0.00000
   1291       1.4153     -0.00000
   1292       1.5131     -0.00000
   1293       1.5340     -0.00000
   1294       1.5369     -0.00000
   1295       1.5825     -0.00000
   1296       1.6151     -0.00000
   1297       1.6467     -0.00000
   1298       1.8151     -0.00000
   1299       1.8331     -0.00000
   1300       1.8717     -0.00000
   1301       1.8744     -0.00000
   1302       1.9126     -0.00000
   1303       1.9224     -0.00000
   1304       1.9772     -0.00000
   1305       1.9962     -0.00000
   1306       2.0210     -0.00000
   1307       2.0396     -0.00000
   1308       2.0621     -0.00000
   1309       2.0686     -0.00000
   1310       2.0932     -0.00000
   1311       2.0990     -0.00000
   1312       2.1176     -0.00000
   1313       2.1393     -0.00000
   1314       2.1519     -0.00000
   1315       2.1796     -0.00000
   1316       2.2099     -0.00000
   1317       2.2236     -0.00000
   1318       2.2355     -0.00000
   1319       2.2437     -0.00000
   1320       2.3202     -0.00000
   1321       2.3253     -0.00000
   1322       2.3565     -0.00000
   1323       2.4082     -0.00000
   1324       2.4151     -0.00000
   1325       2.4528     -0.00000
   1326       2.4629     -0.00000
   1327       2.4844     -0.00000
   1328       2.5014     -0.00000
   1329       2.5112     -0.00000
   1330       2.5279     -0.00000
   1331       2.5614     -0.00000
   1332       2.5667     -0.00000
   1333       2.5868     -0.00000
   1334       2.5903     -0.00000
   1335       2.6102     -0.00000
   1336       2.6300     -0.00000
   1337       2.6370     -0.00000
   1338       2.6677     -0.00000
   1339       2.6785     -0.00000
   1340       2.6808     -0.00000
   1341       2.6948     -0.00000
   1342       2.7110     -0.00000
   1343       2.7423     -0.00000
   1344       2.7660     -0.00000
   1345       2.8301     -0.00000
   1346       2.9371     -0.00000
   1347       2.9680     -0.00000
   1348       3.0077     -0.00000
   1349       3.0285     -0.00000
   1350       3.0444     -0.00000
   1351       3.0614     -0.00000
   1352       3.0798     -0.00000
   1353       3.0971     -0.00000
   1354       3.1368     -0.00000
   1355       3.1414     -0.00000
   1356       3.1701     -0.00000
   1357       3.1899     -0.00000
   1358       3.2147     -0.00000
   1359       3.2353     -0.00000
   1360       3.2575     -0.00000
   1361       3.3241     -0.00000
   1362       3.4246     -0.00000
   1363       3.4764     -0.00000
   1364       3.5240     -0.00000
   1365       3.6123     -0.00000
   1366       3.6336     -0.00000
   1367       3.7042     -0.00000
   1368       3.7139     -0.00000
   1369       3.7595     -0.00000
   1370       3.7692     -0.00000
   1371       3.7916     -0.00000
   1372       3.8178     -0.00000
   1373       3.8442     -0.00000
   1374       3.8556     -0.00000
   1375       3.8762      0.00000
   1376       3.8789      0.00000
   1377       3.9021      0.00000
   1378       3.9212      0.00000
   1379       3.9400      0.00000
   1380       3.9461      0.00000
   1381       3.9546      0.00000
   1382       3.9723      0.00000
   1383       3.9783      0.00000
   1384       4.0131      0.00000
   1385       4.0192      0.00000
   1386       4.0247      0.00000
   1387       4.0418      0.00000
   1388       4.0641      0.00000
   1389       4.0725      0.00000
   1390       4.0875      0.00000
   1391       4.0931      0.00000
   1392       4.1011      0.00000
   1393       4.1142      0.00000
   1394       4.1295      0.00000
   1395       4.1375      0.00000
   1396       4.1392      0.00000
   1397       4.1558      0.00000
   1398       4.1681      0.00000
   1399       4.1825      0.00000
   1400       4.2077      0.00000
   1401       4.2174      0.00000
   1402       4.2234      0.00000
   1403       4.2413      0.00000
   1404       4.2556      0.00000
   1405       4.2671      0.00000
   1406       4.2866      0.00000
   1407       4.2942      0.00000
   1408       4.3081      0.00000
   1409       4.3148      0.00000
   1410       4.3363      0.00000
   1411       4.3420      0.00000
   1412       4.3614      0.00000
   1413       4.3685      0.00000
   1414       4.3961      0.00000
   1415       4.4054      0.00000
   1416       4.4129      0.00000
   1417       4.4314      0.00000
   1418       4.4411      0.00000
   1419       4.4511      0.00000
   1420       4.4743      0.00000
   1421       4.4881      0.00000
   1422       4.4926      0.00000
   1423       4.5080      0.00000
   1424       4.5184      0.00000
   1425       4.5527      0.00000
   1426       4.5733      0.00000
   1427       4.5938      0.00000
   1428       4.6090      0.00000
   1429       4.6163      0.00000
   1430       4.6420      0.00000
   1431       4.6564      0.00000
   1432       4.6977      0.00000
   1433       4.7022      0.00000
   1434       4.7196      0.00000
   1435       4.7563      0.00000
   1436       4.7904      0.00000
   1437       4.8099      0.00000
   1438       4.8271      0.00000
   1439       4.8479      0.00000
   1440       4.8604      0.00000
   1441       4.8844      0.00000
   1442       4.9030      0.00000
   1443       4.9178      0.00000
   1444       4.9501      0.00000
   1445       4.9717      0.00000
   1446       4.9775      0.00000
   1447       4.9837      0.00000
   1448       4.9898      0.00000
   1449       5.0141      0.00000
   1450       5.0215      0.00000
   1451       5.0435      0.00000
   1452       5.0527      0.00000
   1453       5.0852      0.00000
   1454       5.0987      0.00000
   1455       5.1205      0.00000
   1456       5.1329      0.00000
   1457       5.1353      0.00000
   1458       5.1497      0.00000
   1459       5.1569      0.00000
   1460       5.1703      0.00000
   1461       5.1950      0.00000
   1462       5.2260      0.00000
   1463       5.2336      0.00000
   1464       5.2393      0.00000
   1465       5.2486      0.00000
   1466       5.2586      0.00000
   1467       5.2856      0.00000
   1468       5.2933      0.00000
   1469       5.2989      0.00000
   1470       5.3169      0.00000
   1471       5.3199      0.00000
   1472       5.3283      0.00000
   1473       5.3502      0.00000
   1474       5.3646      0.00000
   1475       5.3655      0.00000
   1476       5.3728      0.00000
   1477       5.3846      0.00000
   1478       5.3969      0.00000
   1479       5.4015      0.00000
   1480       5.4131      0.00000
   1481       5.4261      0.00000
   1482       5.4277      0.00000
   1483       5.4441      0.00000
   1484       5.4528      0.00000
   1485       5.4568      0.00000
   1486       5.4720      0.00000
   1487       5.4791      0.00000
   1488       5.4831      0.00000
   1489       5.4890      0.00000
   1490       5.5005      0.00000
   1491       5.5040      0.00000
   1492       5.5120      0.00000
   1493       5.5139      0.00000
   1494       5.5244      0.00000
   1495       5.5332      0.00000
   1496       5.5391      0.00000
   1497       5.5570      0.00000
   1498       5.5662      0.00000
   1499       5.5744      0.00000
   1500       5.5755      0.00000
   1501       5.5792      0.00000
   1502       5.5976      0.00000
   1503       5.6056      0.00000
   1504       5.6136      0.00000
   1505       5.6310      0.00000
   1506       5.6387      0.00000
   1507       5.6513      0.00000
   1508       5.6577      0.00000
   1509       5.6709      0.00000
   1510       5.6751      0.00000
   1511       5.6892      0.00000
   1512       5.7004      0.00000
   1513       5.7091      0.00000
   1514       5.7135      0.00000
   1515       5.7236      0.00000
   1516       5.7391      0.00000
   1517       5.7410      0.00000
   1518       5.7567      0.00000
   1519       5.7588      0.00000
   1520       5.7768      0.00000
   1521       5.7890      0.00000
   1522       5.8009      0.00000
   1523       5.8062      0.00000
   1524       5.8226      0.00000
   1525       5.8268      0.00000
   1526       5.8315      0.00000
   1527       5.8413      0.00000
   1528       5.8570      0.00000
   1529       5.8782      0.00000
   1530       5.8814      0.00000
   1531       5.8940      0.00000
   1532       5.9012      0.00000
   1533       5.9075      0.00000
   1534       5.9165      0.00000
   1535       5.9236      0.00000
   1536       5.9314      0.00000
   1537       5.9462      0.00000
   1538       5.9476      0.00000
   1539       5.9616      0.00000
   1540       5.9636      0.00000
   1541       5.9786      0.00000
   1542       5.9874      0.00000
   1543       5.9991      0.00000
   1544       6.0083      0.00000
   1545       6.0181      0.00000
   1546       6.0193      0.00000
   1547       6.0337      0.00000
   1548       6.0426      0.00000
   1549       6.0558      0.00000
   1550       6.0598      0.00000
   1551       6.0656      0.00000
   1552       6.0757      0.00000
   1553       6.0877      0.00000
   1554       6.0977      0.00000
   1555       6.1040      0.00000
   1556       6.1072      0.00000
   1557       6.1226      0.00000
   1558       6.1273      0.00000
   1559       6.1319      0.00000
   1560       6.1497      0.00000
   1561       6.1558      0.00000
   1562       6.1621      0.00000
   1563       6.1667      0.00000
   1564       6.1796      0.00000
   1565       6.1910      0.00000
   1566       6.1942      0.00000
   1567       6.2062      0.00000
   1568       6.2170      0.00000
   1569       6.2234      0.00000
   1570       6.2295      0.00000
   1571       6.2369      0.00000
   1572       6.2461      0.00000
   1573       6.2522      0.00000
   1574       6.2613      0.00000
   1575       6.2704      0.00000
   1576       6.2744      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.087  13.412  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.412  17.830  -0.001   0.002  -0.000   0.002  -0.006   0.000
 -0.001  -0.001  -4.231   0.003   0.001   8.274  -0.004  -0.001
  0.001   0.002   0.003  -4.231   0.001  -0.004   8.274  -0.001
 -0.000  -0.000   0.001   0.001  -4.223  -0.001  -0.001   8.264
  0.002   0.002   8.274  -0.004  -0.001 -18.311   0.007   0.001
 -0.004  -0.006  -0.004   8.274  -0.001   0.007 -18.308   0.000
  0.000   0.000  -0.001  -0.001   8.264   0.001   0.000 -18.300
 total augmentation occupancy for first ion, spin component:           1
  8.633  -3.909   0.176   0.131  -0.051   0.022   0.025  -0.008
 -3.909   1.844  -0.087  -0.090   0.029  -0.009  -0.015   0.004
  0.176  -0.087   1.798  -0.066  -0.039   0.171  -0.012  -0.007
  0.131  -0.090  -0.066   1.931  -0.076  -0.011   0.182  -0.010
 -0.051   0.029  -0.039  -0.076   1.227  -0.007  -0.010   0.082
  0.022  -0.009   0.171  -0.011  -0.007   0.018  -0.002  -0.001
  0.025  -0.015  -0.012   0.182  -0.010  -0.002   0.019  -0.001
 -0.008   0.004  -0.007  -0.010   0.082  -0.001  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -52566.36257102109.31803 28617.38662-12237.00271  6755.74928 22480.35787
  Hartree  2882.74657128938.24440 66824.73908-12537.41308  4726.25450 16911.38051
  E(xc)  -10739.33647-10593.47021-10637.33804     2.44066     8.02638    31.36246
  Local   16264.46946************************ 24760.81079-11512.41167-38822.80037
  n-local -5853.22316 -5979.78893 -6038.84727     4.48987    16.79956   -61.29329
  augment  1491.86718  1535.50231  1486.56510     5.17859    13.14925    -2.04094
  Kinetic 45554.46350 43227.51161 43745.29530   -22.07912   -74.13805  -540.57602
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -57.5167698   -412.4740091    -97.1977407    -23.5749977    -66.5707391     -3.6097833
  in kB       -9.5913817    -68.7833426    -16.2085013     -3.9313196    -11.1012036     -0.6019603
  external PRESSURE =     -31.5277419 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.255E+03 -.117E+03 0.250E+03   0.255E+03 0.117E+03 -.251E+03   -.784E-01 -.837E+00 0.146E+01   -.100E-03 0.189E-04 -.165E-04
   -.211E+03 -.140E+03 0.526E+02   0.210E+03 0.141E+03 -.521E+02   0.251E+00 -.120E+01 -.287E+00   -.689E-04 -.168E-05 -.465E-04
   -.181E+03 -.128E+03 0.372E+01   0.181E+03 0.129E+03 -.207E+01   0.278E+00 -.112E+01 -.146E+01   -.615E-04 0.496E-05 -.776E-04
   -.236E+03 -.106E+03 0.350E+03   0.236E+03 0.106E+03 -.353E+03   -.200E+00 0.487E-01 0.255E+01   -.159E-03 0.337E-04 0.222E-04
   -.187E+03 -.150E+03 0.310E+03   0.187E+03 0.151E+03 -.312E+03   0.176E+00 -.818E+00 0.844E+00   -.148E-03 0.438E-04 -.306E-04
   -.165E+03 -.116E+03 0.169E+03   0.165E+03 0.116E+03 -.169E+03   0.125E+00 -.254E+00 0.187E-01   -.842E-04 0.166E-04 -.654E-04
   -.262E+03 -.134E+03 0.187E+03   0.262E+03 0.138E+03 -.189E+03   0.511E+00 -.463E+01 0.836E+00   -.887E-04 -.646E-05 0.132E-04
   -.194E+03 -.119E+03 0.308E+02   0.194E+03 0.123E+03 -.329E+02   -.527E+00 -.407E+01 0.202E+01   -.538E-04 -.355E-04 -.312E-04
   -.119E+03 0.778E+01 0.201E+03   0.119E+03 -.786E+01 -.201E+03   0.194E+00 -.554E-02 0.246E+00   -.594E-04 0.101E-04 -.671E-04
   -.936E+02 0.889E+02 0.652E+02   0.931E+02 -.904E+02 -.640E+02   0.454E+00 0.140E+01 -.896E+00   -.343E-04 0.135E-04 -.739E-04
   -.106E+03 0.113E+03 0.135E+03   0.106E+03 -.114E+03 -.135E+03   0.172E+00 0.106E+01 0.766E-01   -.309E-04 0.112E-04 -.397E-04
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 -----------------------------------------------------------------------------------------------
   0.157E+01 0.465E+01 0.259E+01   0.215E-10 0.648E-11 0.250E-11   -.157E+01 -.465E+01 -.260E+01   -.471E-03 0.190E-02 0.996E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.99634      3.16917      1.39074         0.031873     -0.357869     -0.062484
     12.79665      3.58212      2.69701        -0.006983      0.003651      0.236968
     12.76075      4.94550      3.02332        -0.011129      0.143067      0.184743
     13.02105      4.08268      0.35753         0.008959      0.184421     -0.105241
     12.93932      5.43663      0.68580         0.024608     -0.130803     -0.246080
     12.87535      5.93266      2.00409         0.040321     -0.167134      0.000589
     13.12492      1.69358      1.35028         0.245916     -0.532306     -0.579646
     12.61990      2.33728      3.52949        -0.098582     -0.012309     -0.090616
     12.98026      7.42148      2.23344         0.097879     -0.083844      0.127992
     12.96229      8.02665      3.51123        -0.000033     -0.103751      0.347201
     13.25939      9.38509      3.65139        -0.059914     -0.029781      0.237605
     13.19789      8.29820      1.14448        -0.089879      0.137614     -0.000183
     13.40746      9.67247      1.27604        -0.014268     -0.060407     -0.059516
     13.46852     10.20054      2.55477         0.080467      0.273421      0.202385
     13.68354     11.59567      3.02622         0.176328      1.038177     -0.798702
     13.38474     10.22937      4.88439        -0.087317     -0.125154      0.177571
     13.73401     12.72617      5.34035        -0.029857     -0.130362     -0.223768
     13.42901     12.61907      6.69971        -0.011920      0.124935     -0.186410
     13.42517     13.73677      7.53211         0.028899     -0.014982      0.341765
     14.05239     14.01386      4.89490        -0.030775     -0.106766      0.123323
     14.04883     15.12191      5.76627         0.147892      0.014443     -0.011821
     13.76513     15.06001      7.17557        -0.019555     -0.389929     -0.091099
     13.83627     16.17110      8.23677        -0.054149      0.235663      0.177564
     13.27924     16.12923      9.57498         0.003824      0.140364      0.148068
     13.37277     17.23552     10.43938        -0.028484      0.166759      0.013159
     14.43745     17.43388      7.96310         0.074777      0.022211      0.014488
     14.42830     18.56244      8.79547         0.122273     -0.231068     -0.005602
     13.90982     18.45986     10.07502         0.148833     -0.026668     -0.123293
     12.49742     15.02119     10.24926        -0.057182     -0.322974     -0.181547
     14.60037     16.33541      5.09605         0.330095     -0.052376     -0.127131
      9.69266      3.86505      4.79238         0.049519     -0.185176     -0.035665
      9.75455      4.79462      3.77125         0.015433      0.019415     -0.150935
      9.89605      6.15435      4.07834        -0.039736      0.113717     -0.218989
      9.74167      4.24875      6.11854         0.177573      0.006386     -0.073680
      9.80229      5.60209      6.42019         0.101649     -0.243092      0.137282
      9.90197      6.59400      5.42939         0.088863      0.059144     -0.330528
      9.47931      2.51205      4.24575        -0.031812     -0.536962      0.246948
      9.65544      4.03430      2.47230         0.052220      0.041404     -0.162963
     10.00327      8.03594      5.81585         0.066356      0.030257     -0.095325
     10.16495      9.05436      4.85240        -0.060566      0.079800     -0.370427
     10.24366     10.38349      5.24479         0.018728      0.038412     -0.250882
      9.92123      8.44996      7.16440         0.053441      0.092039      0.075431
      9.99601      9.79034      7.56318         0.108770     -0.120647     -0.000584
     10.17260     10.75082      6.57990         0.003909      0.181532     -0.085453
     10.27081     12.22145      6.67104         0.068485      0.799111      0.832253
     10.38780     11.62440      4.42050         0.094231      0.140443      0.559685
     10.80069     14.09837      4.98814        -0.082561     -0.310603     -0.046877
     11.31412     14.41681      3.72443        -0.189503      0.001993      0.120613
     11.71783     15.72306      3.43062        -0.026766     -0.090079     -0.030245
     10.71226     15.15886      5.89909         0.111880     -0.068363     -0.099688
     11.05034     16.48704      5.56552        -0.030189      0.145292     -0.096905
     11.59014     16.85659      4.25930        -0.126256     -0.049283     -0.099709
     12.02771     18.24981      3.72143         0.077985      0.160329     -0.008618
     12.55960     18.65994      2.42453        -0.109781      0.067767      0.183733
     12.81341     20.00972      2.11576         0.011982      0.321857      0.139508
     11.92017     19.35707      4.58373        -0.037119      0.117720      0.046245
     12.16622     20.69922      4.28785         0.123681     -0.010719     -0.086634
     12.59555     21.06908      3.01062        -0.028732      0.138023      0.136855
     12.93111     17.79934      1.22912         0.024973     -0.217361      0.060216
     10.79270     17.40878      6.75110         0.225024      0.291577     -0.261287
     10.32520      7.11406     14.62466        -0.085998     -0.413680     -0.020436
     10.19330      7.53719     15.93858         0.068202     -0.301579      0.347649
     10.20332      8.89908     16.27122         0.121300      0.471770      0.325086
     10.33398      8.05553     13.60433        -0.007678      0.255479      0.009381
     10.29641      9.41971     13.94960         0.041399     -0.090134     -0.402312
     10.29485      9.91836     15.27167         0.080825     -0.312683      0.072882
     10.36591      5.61137     14.59918         0.424194     -0.587414     -0.714444
      9.99676      6.28837     16.78365        -0.023176     -0.196923      1.043088
     10.38902     11.42657     15.53323         0.009946     -0.153844      0.106073
     10.36167     12.01535     16.82651         0.033859     -0.160986      0.303222
     10.54374     13.39838     16.99963         0.032855     -0.029746      0.307623
     10.53650     12.34249     14.45836        -0.031070      0.023794     -0.045087
     10.68063     13.72522     14.62406        -0.005025     -0.113399     -0.100814
     10.70859     14.23806     15.91199         0.035885      0.223684      0.095306
     10.83686     15.64559     16.37554         0.129878      0.916157     -0.428578
     10.56558     14.26505     18.23994         0.020145      0.119399      0.311839
     10.68558     16.84316     18.65561        -0.104307     -0.114330     -0.085771
     10.18386     16.77244     19.95744        -0.034783      0.066499     -0.200377
      9.97580     17.92884     20.71728        -0.010619     -0.041699      0.065774
     11.02362     18.14420     18.22836         0.074729     -0.139406      0.052149
     10.92466     19.28118     19.06692         0.100650     -0.058197     -0.067055
     10.37926     19.24597     20.41181         0.032076     -0.237926     -0.156771
     10.19054     20.37605      0.19242        -0.064768      0.302471      0.071303
      9.62460     20.29605      1.53134        -0.238088      0.222860      0.076003
      9.44092      0.18333      2.33596         0.007418      0.210657      0.040622
     10.56341      0.46554     21.16609        -0.152346     -0.113898     -0.023053
     10.22725      1.61851      0.63269         0.013521     -0.218016      0.137191
      9.67857      1.50030      1.91141         0.041452      0.186319      0.222829
      9.02491     19.10619      2.27069        -0.356400     -0.176110     -0.367929
     11.47209     20.51351     18.39167         0.348009      0.065398     -0.136110
      7.10288      7.65776     17.49637         0.076167     -0.327645     -0.174180
      7.13231      8.59947     16.48006         0.050619     -0.013741     -0.125536
      7.22718      9.96450     16.77884        -0.110888      0.095852     -0.310019
      7.19235      8.03861     18.82302         0.210017      0.006688      0.093326
      7.22368      9.40144     19.11807         0.109114     -0.154826     -0.026744
      7.22866     10.40851     18.12433         0.151009     -0.024805     -0.162270
      6.83618      6.31281     16.92420        -0.031545     -0.712970      0.132728
      7.02001      7.85252     15.17710         0.074105     -0.119607     -0.261350
      7.24249     11.86308     18.51293         0.083522      0.076226     -0.119325
      7.36691     12.94086     17.59602        -0.127231     -0.006860     -0.229340
      7.31916     14.26242     18.04787        -0.063234      0.060676     -0.284287
      7.15244     12.22149     19.87065         0.046276      0.137460      0.183978
      7.16020     13.54073     20.32942         0.144415     -0.157197     -0.039171
      7.20312     14.55933     19.39716         0.004798      0.325310      0.000262
      7.18433     16.03084     19.58060         0.044115      0.567404      0.604282
      7.42639     15.56460     17.30607         0.052490      0.148632      0.137355
      7.58656     18.03942     18.03952        -0.084430     -0.325291      0.004715
      8.29379     18.43142     16.90076        -0.123044      0.038684      0.039367
      8.62104     19.77140     16.69415        -0.023849     -0.220259     -0.003786
      7.22740     19.07143     18.92820         0.175703     -0.027649     -0.284652
      7.43736     20.43657     18.61844         0.074682      0.096809     -0.215652
      8.18105     20.87167     17.44170         0.027148     -0.011092     -0.038448
      8.64869      1.00592     16.94554         0.153537      0.189628     -0.077857
      9.20847      1.36161     15.64263         0.438745     -0.158689     -0.022356
      9.61388      2.68189     15.33762         0.252608      0.099442      0.107768
      8.64091      2.12051     17.81432         0.155385      0.389737     -0.198809
      9.11083      3.41903     17.52072        -0.092441     -0.048382      0.016237
      9.60258      3.75610     16.24608        -0.027234      0.072976      0.301263
      9.63987      0.45155     14.44055        -0.059288      0.831524      0.546911
      6.84657      0.08854     19.66962         0.279816      0.359747     -0.049289
      6.96069     10.88139      6.11536        -0.023813     -0.354247      0.003103
      6.80822     11.32802      7.41843        -0.009510     -0.119083      0.195149
      6.90385     12.68754      7.73419        -0.038490      0.013500      0.220092
      7.26818     11.76321      5.09510        -0.039298      0.142650     -0.008645
      7.37834     13.11869      5.42017        -0.068855     -0.100013     -0.185863
      7.17265     13.64167      6.71885        -0.071644     -0.074509      0.060593
      6.92765      9.39724      6.08986         0.027710     -0.345384     -0.376791
      6.68917     10.10636      8.29212         0.045098     -0.117865      0.253962
      7.27118     15.12921      6.95384        -0.060786     -0.094212      0.089832
      7.08628     15.76801      8.20277        -0.015242     -0.131224      0.287748
      7.21346     17.15931      8.31453         0.044004      0.178813      0.251916
      7.59507     15.97742      5.87464        -0.125199      0.211808     -0.147194
      7.62471     17.36565      5.96024        -0.091616      0.041416     -0.037531
      7.43202     17.95599      7.20216         0.030622      0.407383      0.271436
      7.65823     19.37689      7.63663        -0.000161      0.431409     -0.132989
      7.31967     18.04463      9.52803         0.046146     -0.009354      0.804560
      7.62823     20.58951      9.94351        -0.093721     -0.246533     -0.155360
      7.15358     20.56080     11.25983         0.015062      0.200563     -0.005393
      7.01968      0.47456     12.02808         0.061454     -0.260115      0.004668
      8.05121      0.60542      9.53463         0.021191     -0.098896     -0.041265
      8.09055      1.73314     10.39827         0.090333     -0.126484      0.152716
      7.53238      1.76298     11.73365         0.174523     -0.219340     -0.155553
      7.45219      2.93365     12.77238         0.159672      0.353115     -0.244070
      6.90201      2.86548     14.10367        -0.276708     -0.115346      0.534378
      6.75458      4.00464     14.92532        -0.200386      0.251988      0.224492
      7.90658      4.27813     12.51222        -0.013304     -0.137305     -0.205971
      7.67048      5.42757     13.29282         0.074210     -0.106871      0.201270
      7.08674      5.31597     14.55999        -0.007185      0.297127      0.109414
      6.23167      1.66871     14.81432         0.379634     -0.059074     -0.348657
      8.85953      2.86079      9.78766         0.352216      0.283738      0.016596
      4.09606     11.50007     10.73582         0.118280     -0.231416     -0.120029
      3.83263     12.36712      9.68894         0.075856     -0.061370     -0.222647
      3.87568     13.74667      9.85978         0.026995      0.031448     -0.418573
      4.42961     11.99837     11.98191         0.151536     -0.003901      0.070847
      4.47371     13.38629     12.15371         0.145678     -0.133605      0.032727
      4.20947     14.30453     11.11166         0.079673      0.039441     -0.216574
      3.85063     10.10488     10.29747         0.003730     -0.455151      0.092798
      3.43596     11.54830      8.50618        -0.086298      0.197981     -0.548707
      4.28860     15.79050     11.31558         0.033220      0.163377     -0.062656
      4.06524     16.74394     10.28395        -0.059595      0.017313     -0.240924
      4.12322     18.11810     10.55311         0.051053      0.180855     -0.081433
      4.66291     16.30250     12.57362         0.162879      0.161001      0.025523
      4.77246     17.66865     12.84070         0.074320     -0.102154     -0.082641
      4.42113     18.56602     11.83901        -0.069396      0.227256     -0.240267
      4.31673     20.04905     11.87404         0.058789     -0.592432     -0.812609
      4.09504     19.34510      9.64129         0.129287     -0.051119      1.625731
      4.40261      0.65566     10.12604        -0.156849     -0.401612      0.017005
      4.78680      0.97153      8.82304         0.107766      0.247170      0.112338
      5.20638      2.27210      8.49421         0.017311     -0.254361      0.029421
      4.31479      1.76958     10.98171         0.051460     -0.140966      0.003342
      4.71387      3.09260     10.63511         0.146180      0.169507      0.043337
      5.30955      3.40813      9.33755         0.100089     -0.141061      0.062038
      5.94045      4.76727      8.77505         0.055546      0.123962     -0.000532
      6.47013      5.07542      7.45696        -0.157053     -0.019956      0.259773
      6.75872      6.40281      7.02752        -0.036144      0.233640      0.167936
      5.90344      5.94149      9.54797         0.033501     -0.033113      0.028381
      6.19076      7.24915      9.15165         0.134905     -0.007958      0.082227
      6.57618      7.54177      7.84402         0.082171      0.134475      0.026874
      6.58260      4.04452      6.35883        -0.126797     -0.243667      0.084918
      4.40986      4.01492     11.83304         0.020797      0.019791      0.056171
      1.04223     14.28904      0.83756        -0.127005     -0.399638     -0.010448
      1.63117     14.71084      2.02231        -0.006257     -0.249750     -0.113771
      1.63686     16.08643      2.33338         0.125343      0.217114      0.370387
      0.61350     15.18585     21.13611        -0.182227      0.086402     -0.161421
      0.67750     16.54197      0.17390         0.011878     -0.270239     -0.140713
      1.11042     17.04991      1.41942        -0.184205     -0.234470     -0.211665
      0.98808     12.80910      0.78068         0.128109     -0.019921      0.274750
      2.24361     13.44867      2.62971         0.766473     -0.241916      1.022586
      0.98020     18.54578      1.61107        -0.005086     -0.008396      0.178467
      1.32900     19.25382      2.78481         0.130809     -0.029664      0.176488
      1.16380     20.64325      2.83504         0.113264     -0.000314      0.155826
      0.48841     19.33524      0.54003        -0.068039      0.269438     -0.209160
      0.30628     20.71773      0.58691         0.078382     -0.165166      0.123967
      0.63185      0.09450      1.77286        -0.077223      0.288329     -0.197739
      0.61012      1.54340      2.08136        -0.274089      0.388743     -0.451969
      1.59444      0.38733      3.85923         0.333121     -0.151598      0.448910
      1.39903      2.94954      4.05502         0.011170     -0.111193     -0.007056
      1.96561      2.95256      5.32481        -0.101783      0.212631     -0.318678
      2.09734      4.13524      6.03813         0.132751      0.012067      0.132474
      0.96906      4.21169      3.60665        -0.062716     -0.193218      0.001057
      1.11616      5.39625      4.36831        -0.150350     -0.091144     -0.096084
      1.76983      5.46345      5.65263        -0.229082     -0.269359     -0.550477
      2.10938      6.70789      6.48824         0.056189      0.281039      0.278568
      2.57495      6.66823      7.83622         0.246421     -0.096912      0.095269
      3.07762      7.75809      8.56922        -0.000738      0.072611      0.161372
      2.07473      8.07323      6.06342         0.050468     -0.040146     -0.007447
      2.54503      9.18698      6.78317         0.002166     -0.100219     -0.093370
      3.08395      9.05897      8.07241        -0.040253      0.184945      0.194614
      2.85106      5.40051      8.57164        -0.509077      0.191120     -0.237888
      0.41488      6.55202      3.71187        -0.482995      0.135824      0.017143
      4.69371     14.10307      0.68955         0.018368     -0.439415     -0.010218
      4.05660     15.00165     -0.15240        -0.080939     -0.077001     -0.144451
      4.05476     16.38546      0.15158        -0.064943      0.106231     -0.171619
      5.38802     14.55036      1.80136        -0.071306      0.189342      0.185302
      5.39600     15.92041      2.07957        -0.073446     -0.181162      0.095413
      4.71487     16.89979      1.31129        -0.003556     -0.117374      0.072333
      4.53955     12.70134      0.19321        -0.017684     -0.422254      0.018380
      3.48341     14.15524     19.97213        -0.402665      0.135713     -0.691363
      4.75629     18.36379      1.79246         0.017166      0.044428     -0.021519
      4.12579     19.47666      1.16685        -0.074856      0.006337     -0.255916
      4.29131     20.78872      1.65901        -0.099076      0.101639     -0.194621
      5.51099     18.69322      2.95107        -0.039978      0.115942      0.070144
      5.69204     19.99116      3.44456        -0.115239     -0.145865      0.006713
      5.07068     21.03450      2.77771        -0.018179      0.387099      0.039215
      5.13016      1.24399      3.04895         0.296711      0.310700      0.312642
      3.80344      0.87938      1.16665        -0.192549      0.177431     -0.388470
      3.99171      3.34001      2.03771         0.014849      0.058562      0.073855
      3.07135      3.92363      1.15111         0.182545      0.080615     -0.038105
      2.77841      5.30713      1.14047         0.072517     -0.036936     -0.198296
      4.48314      4.27100      2.97048         0.028425      0.015874      0.108722
      4.20254      5.66118      2.89426         0.329658      0.218961     -0.041223
      3.40414      6.34129      1.92022         0.050373     -0.041222     -0.111483
      3.16285      7.96504      1.82384        -0.102920      0.000308     -0.035777
      2.18055      8.56827      0.96289         0.047383      0.006568      0.174743
      1.83058      9.93215      0.96459        -0.498113      0.020416     -0.109684
      3.74337      9.02366      2.63005        -0.239172      0.330525     -0.236613
      3.28572     10.37564      2.73412         0.205432     -0.464164     -0.650427
      2.29708     10.88792      1.87703         0.139492      0.120337     -0.003178
      1.32920      7.76993      0.02099        -0.143167     -0.509772     -0.052631
      4.88405      6.44372      3.95873         0.116240     -0.121539      0.288141
     18.14899     17.33447     13.54755        -0.093653     -0.244013      0.179558
     19.17474     17.81218     14.34668         0.185875     -0.040263      0.234610
     19.43972     19.17924     14.44859         0.153120      0.084628      0.299121
     17.37867     18.21524     12.80525        -0.028930      0.092060     -0.050056
     17.63127     19.58643     12.92773        -0.099158     -0.088122     -0.037697
     18.63842     20.12652     13.75900         0.050136     -0.006929      0.278896
     18.08980     15.85416     13.66599        -0.649250     -0.830561     -0.443286
     19.85290     16.62738     14.98224        -0.325425     -0.112842     -0.297705
     18.76193      0.36004     13.98322         0.083578     -0.054216      0.238464
     19.75003      0.94872     14.81856         0.116386     -0.131040      0.191459
     19.69573      2.31051     15.13267         0.165075      0.064809      0.281826
     17.79920      1.24974     13.46346        -0.102283      0.168792     -0.147834
     17.78550      2.62583     13.71349        -0.075557      0.015404     -0.059585
     18.74336      3.14849     14.56657         0.135248      0.377623      0.300860
     18.95828      4.54608     15.06556        -0.276773      0.669499     -0.154316
     20.49056      3.12831     16.12662        -0.116855      0.202674     -0.015333
     20.65264      5.66619     16.64119        -0.279461     -0.167317     -0.030611
      0.70548      5.62372     17.13446        -0.583715     -0.172283     -0.217759
      1.34701      6.79494     17.52986         0.526779     -0.059620      0.305574
     20.01436      6.91883     16.74852         0.385583     -0.225923      0.074963
     20.63567      8.03690     17.36331        -0.313049      0.236836      0.202239
      0.77248      8.05933     17.76505        -0.090671      0.023566      0.054753
      1.65775      9.20065     18.39833        -0.299722      0.003383      0.142271
      2.98017      9.09312     18.97927        -0.063572      0.528910     -0.197926
      3.65083     10.23299     19.54608         0.182223      0.204484      0.437208
      1.14065     10.50937     18.59227        -0.014080     -0.028176     -0.113069
      1.82401     11.62013     19.10636         0.020792      0.208644      0.080085
      3.11982     11.54500     19.62492        -0.304842     -0.240514     -0.162219
      4.01250      7.96182     18.87359         0.364173      0.263997     -0.204927
     19.61270      9.14374     17.60054        -0.244188      0.222779     -0.108844
      1.99873     18.17668     14.11353         0.016540      0.043912     -0.137384
      1.27574     19.11760     13.39766        -0.254801      0.162911     -0.086746
      1.36475     20.47583     13.71374        -0.319300      0.116665     -0.245641
      2.92637     18.59125     15.06142         0.003343     -0.010880      0.108278
      3.08709     19.95940     15.29941        -0.184568     -0.158911      0.254022
      2.25094     20.93727     14.71504        -0.094483      0.262803     -0.268033
      1.68851     16.83067     13.59649         0.165793     -0.987696      0.506273
      0.47462     18.39088     12.35300        -0.296606      0.184680     -0.161213
      2.39975      1.14664     15.01906        -0.174480      0.215037     -0.236000
      1.75854      2.16429     14.25851        -0.289412     -0.196423     -0.134336
      2.02645      3.51021     14.49604        -0.257206      0.113633     -0.120676
      3.26310      1.60016     16.02969        -0.091558      0.173549      0.276849
      3.60349      2.95012     16.21902        -0.205078     -0.100724      0.211525
      2.99566      3.89668     15.41606        -0.211183      0.409730     -0.210193
      3.17459      5.37465     15.30032         0.195204      0.313921      0.341066
      1.39970      4.74995     13.91754         0.533077      0.122123      0.438543
      1.65414      7.27492     14.49261        -0.003319     -0.315831     -0.228250
      0.36368      7.54330     14.03001         0.064244      0.140397      0.005789
     21.06816      8.81973     14.12680        -0.101221      0.082726      0.038178
      2.35262      8.39375     14.99764        -0.007310     -0.190135      0.039632
      1.79162      9.69917     15.05242         0.070960     -0.004294     -0.007101
      0.42681      9.99409     14.61210         0.110544      0.050124     -0.109984
     20.89553     11.34738     14.57882        -0.148194      0.109519      0.141652
     19.52817     11.64845     14.14508         0.030349      0.147295      0.003273
     19.00783     12.95944     14.12927         0.021026      0.290127      0.071012
      0.28391     12.54456     14.95466         0.036192     -0.074737      0.055977
     -0.25618     13.83201     15.04120        -0.097026     -0.029321      0.034383
     19.70072     14.08500     14.60514        -0.009294      0.196382     -0.086843
     18.47498     10.70407     13.59427         0.018467     -0.365141     -0.093106
      2.83215     10.68772     15.57974        -0.296809      0.286403     -0.123305
     16.09304      0.42648      5.22727         0.076638     -0.273126     -0.124259
     16.87336      0.86706      6.28411         0.178138     -0.073161      0.110639
     16.95760      2.22986      6.59804         0.065953      0.081444      0.234373
     15.32360      1.31736      4.51158         0.100005      0.093215     -0.031249
     15.38994      2.67117      4.84429        -0.013571     -0.148671     -0.209392
     16.21967      3.19046      5.85162         0.037786     -0.068438      0.119836
     16.35367     20.24959      4.95344        -0.009968     -0.473118     -0.387364
     17.57352     20.91521      6.83264         0.152843     -0.254629      0.333636
     16.26799      4.68596      6.06590        -0.008612     -0.047819      0.143578
     17.08476      5.31361      7.03232         0.095220     -0.144673      0.333516
     17.02299      6.69674      7.23457         0.012891      0.067818      0.295872
     15.43551      5.55184      5.31903        -0.077290      0.179971     -0.010905
     15.41511      6.93929      5.48054         0.009049     -0.045823     -0.002509
     16.22987      7.51066      6.44184         0.054880      0.269485      0.165198
     16.41365      8.93686      6.84705        -0.132286      0.462257     -0.271781
     17.60506      7.56288      8.31254         0.135598     -0.042090      0.637691
     17.75321     10.12567      8.68244         0.098335     -0.286158     -0.025644
     18.81160     10.01254      9.58457        -0.065655      0.132036     -0.038059
     19.41444     11.14628     10.13653        -0.055580      0.012410      0.159561
     17.31919     11.44486      8.45087        -0.029171     -0.223474     -0.015718
     17.84625     12.56656      9.13397        -0.049590      0.022739      0.061643
     18.97641     12.48523     10.04246        -0.207075     -0.310428     -0.071121
     19.73473     13.58047     10.81963         0.172907      0.046867      0.063020
     21.01004     13.45033     11.51495         0.188352      0.290565      0.119735
      0.41088     14.57873     12.03791         0.119544      0.183367      0.264558
     19.25741     14.92042     10.88812         0.020694     -0.216317     -0.151442
     19.95831     16.04440     11.34346         0.214052     -0.032106      0.200132
     21.20065     15.89499     11.96156         0.232071     -0.135950      0.107939
      0.72294     12.26964     11.67023        -0.241806      0.036848     -0.361013
     17.07006     13.81845      8.79462        -0.154087      0.178319      0.120946
     20.40595      1.32153      6.09766        -0.084781      0.058873      0.325025
     19.83437      2.37492      5.39007        -0.153722     -0.048056     -0.148129
     19.84491      3.67873      5.85759        -0.223791      0.051654     -0.330473
     20.91397      1.56252      7.37125        -0.037379      0.067256      0.162921
     20.88325      2.87915      7.86388         0.017502     -0.269549      0.095781
     20.39193      3.98100      7.12251        -0.187351     -0.043131     -0.027170
     20.21720      0.06744      5.32035         0.298727     -0.489075      0.120458
     19.14358      1.80849      4.18786        -0.300745      0.512715     -0.281852
     20.46182      5.39949      7.59659        -0.131804     -0.035004      0.153318
     20.08340      6.44696      6.74394        -0.254002      0.059211     -0.129907
     20.35126      7.77087      7.06591        -0.100460      0.125405      0.106647
     -0.30117      5.77421      8.85959        -0.005627      0.122712      0.177098
      0.07159      7.09199      9.16272        -0.182062     -0.064392     -0.048286
     21.04243      8.08275      8.22884        -0.145673      0.158698     -0.096170
      0.07629      9.53072      8.21115         0.393740      0.740962      0.719327
     20.03708      9.04087      6.33562         0.163638      0.126854      0.560105
     20.44458     11.52677      6.84506        -0.056420     -0.337221     -0.010660
     19.54501     11.92712      5.85092         0.168678     -0.058403      0.160681
     19.21953     13.26633      5.65098        -0.015551     -0.046964     -0.047659
     21.01511     12.57848      7.58015        -0.037167     -0.014900     -0.121653
     20.73574     13.93685      7.30777         0.076835      0.037132     -0.070562
     19.76568     14.38434      6.32450         0.133501     -0.087218      0.015493
     19.25477     15.81401      6.03238        -0.005507      0.286547     -0.051915
     18.40999     16.25605      4.94086         0.159793      0.097645      0.084495
     17.89222     17.56932      4.86768        -0.019564      0.292773      0.052061
     19.51853     16.90180      6.91507         0.024501     -0.030291      0.032214
     18.91910     18.16561      6.90750         0.008194     -0.129196     -0.082350
     18.03218     18.52707      5.88961        -0.002672      0.176480      0.081175
     17.83491     15.37684      3.84745         0.173511     -0.147956     -0.144896
      0.38737     14.84946      8.09016         0.021193      0.218081     -0.171581
     12.62405      5.23920      4.06172        -0.009197      0.004647      0.127590
     13.05446      3.74536     20.58107         0.141361      0.072892     -0.071505
     12.92274      6.12641     21.11565         0.032508      0.219703     -0.270409
     12.71181      7.45980      4.40924         0.068039     -0.099467     -0.015049
     13.18228      7.90728      0.14062         0.053088     -0.117190     -0.375255
     13.52142     10.31140      0.40401         0.064448      0.034731     -0.131579
     13.16868     13.51773      8.55394         0.069902     -0.081362      0.147253
     13.19247     11.64045      7.08662        -0.078020     -0.135675      0.372374
     14.32078     14.17273      3.85250        -0.085269     -0.054296      0.153783
     12.94525     17.17056     11.43416        -0.003014     -0.140803      0.044101
     14.89859     17.62378      7.01265         0.109728     -0.171529      0.059606
     14.80734     19.53086      8.43690         0.097123     -0.361224     -0.050522
     10.02082      6.87080      3.27116        -0.161551      0.078930     -0.163567
      9.64796      3.50245      6.88859         0.145097     -0.015158      0.101968
      9.71676      5.87103      7.46590         0.183040      0.098225      0.209519
     10.21649      8.81832      3.79224        -0.050019     -0.000868     -0.096814
      9.76210      7.71478      7.94440         0.026328     -0.152378      0.139486
      9.91388     10.07046      8.61413         0.010161     -0.017106      0.019646
     12.22104     15.82339      2.48436        -0.073000      0.009520     -0.139379
     11.42528     13.62690      2.98469         0.134231      0.194970     -0.103372
     10.42326     14.93314      6.92264        -0.106684      0.047009     -0.153071
     13.15913     20.25085      1.11570         0.070470      0.004220      0.130989
     11.60755     19.19442      5.59739         0.026864      0.093669      0.012139
     12.02173      0.19930      5.05110        -0.096964     -0.112441      0.096876
     10.10735      9.19564     17.31317         0.052316     -0.098216      0.218198
     10.29548      7.75271     12.55526         0.168860      0.038472      0.048466
     10.24128     10.11640     13.11824         0.075307      0.098231     -0.116380
     10.15221     11.40112     17.70017         0.164994     -0.077535      0.154038
     10.52190     11.98648     13.43532         0.056677     -0.134295     -0.198941
     10.75888     14.39036     13.76518         0.058048     -0.024473     -0.105714
      9.47404     17.74897      0.38651        -0.085513     -0.125963      0.205890
      9.95580     15.79342     20.36923        -0.209152      0.082759      0.188575
     11.34100     18.29192     17.19652         0.110942     -0.047578      0.208749
      9.13354      0.05572      3.36827        -0.163686      0.009978     -0.123355
     11.18277      0.67621     20.31342        -0.080940     -0.042857     -0.170578
     10.42014      2.61354      0.23721         0.216963     -0.090819     -0.179531
      7.30590     10.68744     15.96959        -0.172237      0.033269     -0.153443
      7.13598      7.29136     19.61422         0.162773      0.040031     -0.004249
      7.17938      9.66204     20.16846         0.162365      0.116377      0.192160
      7.51764     12.75547     16.53715        -0.100650     -0.021539     -0.222213
      7.02595     11.46278     20.62940         0.113997     -0.216854      0.145883
      7.12234     13.75468      0.13376         0.080999     -0.007829      0.033720
      9.32782     19.95012     15.90714         0.057739     -0.148966     -0.106434
      8.63712     17.68052     16.19704         0.140339      0.074916     -0.101189
      6.86139     18.81365     19.91837        -0.313216      0.000697     -0.176823
      9.92337      2.84195     14.31304         0.264669      0.262336      0.062371
      8.28741      1.98573     18.82729        -0.043377      0.053128      0.035139
      9.05984      4.19523     18.28387        -0.042895     -0.184860      0.087285
      6.81102     12.99624      8.77131        -0.044454      0.047310      0.177861
      7.48771     11.39609      4.08976        -0.119667      0.084354     -0.009594
      7.70101     13.77074      4.61685        -0.113446      0.178478     -0.137978
      6.89082     15.18632      9.09920        -0.009994     -0.098730      0.177762
      7.91306     15.55493      4.93180        -0.142494     -0.116240     -0.296554
      7.91934     17.95967      5.09858        -0.078562      0.029144     -0.013116
      6.43703      0.31259     12.91715         0.177120      0.007692      0.073797
      6.84417     19.59890     11.65896        -0.110710      0.102495      0.265863
      8.33482      0.75037      8.49851         0.235126     -0.075185      0.001686
      6.34139      3.90559     15.92261         0.021780     -0.189340     -0.069746
      8.48380      4.51193     11.62275        -0.226523     -0.241637      0.095378
      7.92547      6.42923     12.93497         0.196631     -0.292325     -0.210102
      3.59165     14.37470      9.02216         0.106224      0.112767     -0.145508
      4.59316     11.31750     12.81543         0.129603      0.091887     -0.062066
      4.68990     13.74275     13.15316         0.091251      0.109788      0.193176
      3.86689     16.41181      9.26906        -0.094287     -0.007719     -0.190912
      4.86465     15.61567     13.38674         0.170127     -0.054710      0.123157
      5.15912     18.00538     13.80327        -0.133414      0.045927     -0.038482
      5.48041      2.34435      7.46076         0.091149      0.012696     -0.024155
      4.80803      0.17963      8.08041         0.051512      0.148585     -0.271614
      4.01153      1.60167     12.00945        -0.160946     -0.039873     -0.141348
      7.06279      6.57324      5.99909         0.082911     -0.177005      0.124196
      5.51327      5.87664     10.53626         0.086084      0.085977      0.302402
      6.08904      8.06020      9.86796        -0.117139     -0.145317      0.143493
      2.07281     16.44180      3.26522         0.039416     -0.111303      0.200547
      0.29206     14.84543     20.14976        -0.143303      0.008547      0.093501
      0.40550     17.21900     20.63324        -0.170298     -0.007701     -0.072404
      1.77366     18.74713      3.63564         0.011884     -0.110789      0.214522
      0.26482     18.88693     20.84333        -0.121407     -0.158125     -0.193385
     -0.01064      0.03213     20.97362        -0.105629     -0.080063      0.008827
      2.48416      3.90537      6.99746         0.130085      0.053745      0.056263
      2.29156      2.01271      5.75230         0.082285      0.052613      0.284441
      0.47749      4.27780      2.64176        -0.044322     -0.038447      0.103011
      3.45724      7.58881      9.57687        -0.220062      0.142531     -0.286779
      1.66834      8.34125      5.10442        -0.015707     -0.076653     -0.295502
      2.46259     10.19142      6.37377        -0.069489     -0.110125     -0.299515
      3.52058     17.06967     20.75815        -0.061815      0.088257     -0.220075
      5.88717     13.83654      2.46006         0.023985      0.076168      0.017592
      5.94923     16.21117      2.96306         0.067582      0.102574      0.170053
      3.50377     19.32137      0.29078        -0.053976      0.037265     -0.244422
      6.05658     17.92411      3.47925        -0.004196     -0.208599      0.131357
      6.33852     20.18669      4.30239        -0.073744     -0.064577      0.046600
      1.93536      5.49405      0.50211         0.163146      0.174224     -0.245802
      2.53133      3.26350      0.47968        -0.180638      0.196234     -0.202851
      5.03554      3.90800      3.83496         0.132854      0.129732     -0.263984
      1.11365     10.24161      0.21566        -0.143669      0.022825      0.066116
      4.60009      8.88318      3.27129         0.116813     -0.265133     -0.177382
      3.79513     11.07267      3.38906         0.224981     -0.121501      0.314207
     20.27537     19.49626     15.06952        -0.037217      0.070992      0.170847
     16.61141     17.84201     12.12889        -0.157421      0.035777     -0.006099
     16.98825     20.24410     12.35738        -0.087931      0.215170     -0.179416
     20.56704      0.35347     15.22321        -0.056723     -0.093896      0.210083
     17.00407      0.87617     12.83550        -0.244898     -0.192045     -0.205703
     17.02021      3.26757     13.27651        -0.032904     -0.009205     -0.044303
      2.41527      6.66641     17.65935        -0.414919      0.068485      0.096705
      1.21737      4.66365     17.16616         0.217954      0.148404     -0.028139
     19.02324      7.06084     16.32542         0.011903     -0.156207      0.200467
      4.61102     10.03980     20.02516        -0.122632      0.157709     -0.205119
      0.11332     10.71182     18.32594         0.050137      0.056839     -0.125302
      1.33916     12.59122     19.12909        -0.339835     -0.083167     -0.144158
      0.75528     21.18909     13.16019        -0.061702     -0.023424     -0.094757
      3.55367     17.85695     15.56503         0.028351      0.000496      0.094704
      3.92162     20.25948     15.92502        -0.008389      0.081029      0.263856
      1.03935      1.90099     13.48536        -0.050311      0.045632     -0.121898
      3.77922      0.87439     16.64467         0.016616     -0.135611      0.259465
      4.35352      3.23032     16.95819        -0.159751      0.034066      0.068105
     20.04317      8.86693     13.80905        -0.216251      0.030793     -0.106212
     21.04128      6.72515     13.61759        -0.242178      0.147301     -0.038027
      3.34313      8.22799     15.43516        -0.264361      0.113915     -0.308664
     18.04495     13.13048     13.65229         0.045787     -0.058919      0.289825
      1.34122     12.51087     15.12847         0.113808      0.066723      0.213689
      0.36463     14.65179     15.38689         0.189846     -0.090822      0.003341
     17.63635      2.55271      7.38090         0.049092     -0.009091      0.262715
     14.71501      0.95325      3.69217         0.081549      0.052058     -0.057522
     14.77957      3.34417      4.26025         0.015737      0.166102     -0.118621
     17.78537      4.72392      7.61711        -0.064486     -0.053053      0.265306
     14.74812      5.15387      4.58614        -0.062173     -0.163453     -0.181289
     14.73755      7.56552      4.90830         0.102810     -0.061991     -0.136263
     20.30454     10.93452     10.69830        -0.138896     -0.073004      0.072317
     19.17841      9.01847      9.82483         0.171329      0.111273      0.163617
     16.57196     11.60814      7.68117        -0.122914      0.020387      0.169498
      1.34920     14.42961     12.56642        -0.169226      0.053748     -0.171992
     18.26495     15.13950     10.53009        -0.149014     -0.031739     -0.133689
     19.58807     17.04895     11.18237        -0.429808      0.060700     -0.006470
     19.39379      4.43269      5.21444        -0.028066      0.084045      0.044523
      0.02082      0.73562      7.98978         0.051209      0.171542     -0.072293
      0.02680      3.04203      8.85817        -0.005705      0.020327      0.154553
     19.62770      6.22905      5.79414        -0.273912     -0.051070     -0.074239
     -0.11832      5.00905      9.60169        -0.018822     -0.058005      0.230269
      0.61831      7.31382     10.07940        -0.200858      0.057804      0.123697
     18.44706     13.38769      4.91882        -0.120630      0.132378     -0.114192
     19.07406     11.14646      5.26933        -0.247265      0.169837     -0.282480
      0.42491     12.34790      8.40076         0.101328     -0.013962     -0.199314
     17.22834     17.81582      4.04717         0.104463     -0.039579     -0.094391
     20.22102     16.78169      7.72024        -0.087554     -0.073772      0.010135
     19.14416     18.88687      7.68857         0.147645     -0.160524      0.113562
     13.91729     19.29443     10.77957        -0.073656     -0.006765     -0.049661
     18.98821     21.00992      3.57990         0.305765      0.299707      0.120585
     12.76502      1.20313      2.64197         0.014992      0.073566      0.183896
     13.64716     11.58510      4.45185        -0.071729     -0.311050      0.354166
      9.53077      2.62810      2.81264         0.132965     -0.103322     -0.171757
     10.48032     12.73216      5.35073         0.096271     -0.137605     -0.334415
      9.97780      5.13330     15.89786         0.035079      0.357767      0.058764
     10.72379     15.66205     17.80074         0.018052     -0.568834      0.084674
      6.93963      6.43587     15.48607         0.232612     -0.133715      0.141583
      7.34396     16.62861     18.29824         0.107348     -0.083006     -0.252305
      6.71396      8.93937      7.41804        -0.053611     -0.122404      0.276182
      7.58617     19.40075      9.07584        -0.213051     -0.015439      0.207707
      3.49911     10.16699      8.89132         0.054706     -0.093316     -0.023829
      4.17361     20.51770     10.53419         0.028074      0.278306     -0.414685
      1.88375     12.29843      1.78757        -0.218668      0.162943      0.024462
      1.21282      1.70461      3.35646         0.145508      0.048448      0.258624
      3.71995     12.73425     20.28388         0.065071      0.008286      0.175634
      4.28840      1.90792      2.08764        -0.062702     -0.206844     -0.110233
     19.18689     15.43849     14.47966         0.356319      0.161054      0.267884
     20.02920      4.50082     16.01186         0.221683     -0.026058      0.053938
      0.68712     16.97442     12.57557        -0.098002      0.208315     -0.124375
      2.12096      5.89339     14.49991        -0.537182     -0.123364     -0.303395
     17.33652     19.80916      5.90067         0.183482      0.084503      0.010669
     17.24845      8.94120      7.99823         0.234641      0.040822      0.241043
     19.43312      0.43488      4.20415        -0.071849     -0.081842      0.018231
     20.68208     10.11402      7.08590        -0.487834      0.067499     -0.379617
     12.40620      2.27626      4.73102        -0.045973      0.088116     -0.084970
     13.52630      1.02070      0.40290        -0.200974      0.304393      0.460203
     13.26515      9.84297      6.03822        -0.103823      0.060009     -0.273093
     13.82975     12.58948      2.30597        -0.040246     -0.718191      0.660162
      9.68202      4.48127      1.33482        -0.032247     -0.102025      0.142538
      9.29442      1.48554      4.88768         0.136275      0.287109     -0.322040
     10.40649     11.71232      3.20601        -0.028248     -0.004754     -0.331752
     10.17454     12.90096      7.69537         0.047831     -0.381019     -0.626400
      9.87629      6.23374     18.01145         0.142368      0.097327     -1.008624
     10.75404      4.90838     13.66571        -0.352997      0.418925      0.564174
     10.46827     13.90138     19.40361         0.086380      0.096239     -0.400084
     10.99283     16.63690     15.66111        -0.055573     -0.459719      0.391261
      6.99197      8.31995     14.05006         0.047140     -0.040967     -0.010588
      6.54834      5.29474     17.55208         0.337821      0.553938     -0.456387
      7.58495     15.72980     16.10749        -0.140556     -0.028702     -0.033513
      7.07016     16.64599     20.64185         0.050697     -0.287262     -0.530737
      6.64119     10.08051      9.51705         0.115032      0.028192     -0.448686
      7.11232      8.68649      5.10609        -0.107095      0.210966      0.388257
      7.24739     17.70231     10.70893         0.132746      0.149408     -0.816313
      7.89566     20.34217      6.92031        -0.253043     -0.294907      0.311836
      3.10861     11.95824      7.39643         0.171374     -0.105362      0.293568
      3.90219      9.09110     10.98691        -0.033060      0.385379     -0.329519
      4.11789     19.37407      8.43842        -0.178106      0.034550     -0.967248
      4.32037     20.74193     12.86592         0.077385      0.445069      0.470003
      2.97409     13.37630      3.61748        -0.649962     -0.022027     -0.745637
      0.25968     12.16694      0.04575        -0.118776     -0.225418     -0.066500
      2.19671      0.15945      4.90285        -0.231081      0.139248     -0.555325
      0.16211      2.43985      1.37244         0.147271     -0.238366      0.304283
      2.95214     14.54698     18.94035         0.173396     -0.189075      0.494377
      5.04258     11.69175      0.68329        -0.200721      0.265827     -0.113804
      3.13328      1.11170      0.16916         0.194428     -0.096810      0.278605
      5.80390      1.79003      3.91381        -0.246228     -0.111682     -0.340252
     -0.46894     16.63927     15.75908         0.145518      0.048139      0.227109
     17.25716     15.10244     13.15504         0.412822      0.520474      0.376644
      0.06373      2.73534     16.92649        -0.062756     -0.024993     -0.016245
     18.35432      5.56496     14.72912         0.279354     -0.644679      0.152079
     21.04158     18.88036     11.46598         0.247117     -0.342784      0.334587
      2.19147     15.77150     13.98836        -0.474042      0.679718     -0.339975
      0.45721      4.81252     13.15123        -0.125206     -0.017777     -0.190310
      4.06625      6.05856     15.78656        -0.141191     -0.078608      0.016435
     18.18753     20.82700      7.88722        -0.061385      0.059270     -0.300265
     15.86711     19.56958      4.05206         0.272220      0.274372      0.361110
     18.18219      7.18942      9.32937        -0.359731      0.194210     -0.483612
     15.97041      9.93816      6.29258         0.302291     -0.367692      0.152861
     18.42560      2.39016      3.37871         0.304434     -0.315906      0.198454
     20.66201     20.20040      5.53539        -0.352170      0.458320     -0.085873
     19.33421      9.17917      5.35164        -0.100496     -0.035025     -0.056578
      0.76226     10.15235      9.02314        -0.677756     -0.444229     -0.493352
     13.94522     17.50322      5.29555        -0.098982      0.192010      0.055189
     15.86372     16.53254      5.60900        -0.209387      0.022673      0.031452
     14.72931     16.22306      3.74409        -0.053004      0.044525      0.399300
     11.97224     15.38662     11.46006        -0.122980     -0.082915      0.032074
     11.42851     14.60365      9.50697         0.015016     -0.040967      0.011785
     13.25976     13.90942     10.53464         0.012876     -0.045908      0.009091
     11.91819     17.99112      7.25901         0.075957      0.020913      0.008852
      9.97506     18.46339      6.43324        -0.054127      0.035210     -0.000073
     10.20807     16.78347      7.80888        -0.050978      0.029539      0.070235
     13.14953     18.52577      0.08998         0.179013     -0.133103     -0.020612
     14.06502     17.07421      1.43497         0.185008     -0.024339     -0.019505
     11.96562     16.90043      0.88279        -0.112535     -0.248835     -0.070399
     10.64253      0.33145     18.46927         0.087795      0.124362     -0.118734
     12.66520     -0.34793     18.93888         0.122357     -0.052247      0.076239
     11.70871     20.35293     17.05251         0.136760     -0.068165      0.221812
      8.75833     19.37211      3.58840        -0.098849     -0.104808     -0.099442
      7.81465     18.75838      1.69530         0.282824      0.090205     -0.118015
      9.73203     17.94626      2.31532         0.161151     -0.136480     -0.098640
      7.81471      0.77100     20.37254        -0.107544      0.052705      0.066979
      6.01041      1.03613     19.15142        -0.073132      0.027861     -0.173687
      6.13127     20.69108     20.62458        -0.132662     -0.060092     -0.044875
      9.69272      1.15059     13.25509         0.460611     -0.136372      0.293725
     10.90197     21.22626     14.66434         0.103998      0.028772     -0.113979
      8.86355     20.65983     14.16371        -0.247816     -0.838580     -0.450431
      8.18098      4.05077      9.75182         0.216005     -0.002137     -0.224336
     10.03824      3.12844     10.44572        -0.072281     -0.125365      0.138188
      9.21441      2.61412      8.49507         0.217344     -0.083780      0.196669
      6.03753      1.89932     16.14794         0.001640     -0.052043     -0.077438
      5.04288      1.42154     14.23069        -0.353948      0.100814      0.104420
      6.82301      0.43586     14.80924         0.374034      0.081158      0.083213
      5.29718      5.02526     12.06900        -0.324488     -0.075998      0.033895
      3.16876      4.60399     11.82495        -0.081382     -0.213108     -0.142347
      4.39232      3.31510     12.99322         0.143671     -0.013463      0.092167
      7.17715      4.52116      5.23523        -0.025846     -0.249710     -0.060010
      7.28310      2.92321      6.70236         0.208173      0.074369      0.080368
      5.33951      3.57403      5.98349         0.100515     -0.077189     -0.014174
     -0.48209      7.22972      4.48622         0.123409     -0.064957     -0.044764
      1.27056      7.53328      3.32526        -0.032458     -0.012125     -0.442172
     -0.33747      6.15286      2.65421        -0.049126      0.054808      0.096336
      3.27864      5.62900      9.81422         0.134648      0.018214      0.317639
      1.85237      4.46167      8.75015         0.131154      0.074035      0.005090
      3.81654      4.77519      7.86957         0.256617     -0.292919     -0.089433
      6.05886      6.98355      3.48071        -0.331914     -0.024799      0.128310
      4.11516      7.42920      4.49972         0.100140      0.154026      0.029774
      5.17308      5.69774      5.04717        -0.246294      0.254423     -0.374976
      0.45646      8.49966     20.54642        -0.056451      0.022634      0.066399
      2.09865      7.01460     -0.85011        -0.557694      0.401234      0.140235
      0.52937      6.87196      0.65971        -0.123777      0.047764     -0.095309
     19.42682      9.41284     18.92952         0.140468     -0.102368      0.022383
     19.95122     10.34021     17.01182        -0.124937     -0.031526      0.007234
     18.36097      8.85888     17.10251         0.370279      0.022973      0.281298
      4.87379      8.02742     19.94830        -0.230889     -0.103262     -0.142590
      3.79596      6.62796     18.75983        -0.261626     -0.087310      0.422240
      4.67592      8.24982     17.69848         0.090165      0.053072      0.245922
      3.37445     11.43849     14.55881         0.002556     -0.011622     -0.072396
      2.37349     11.60666     16.47840         0.103754     -0.068285      0.000604
      3.88398     10.09514     16.19811         0.125015      0.058553     -0.200047
     17.36641     11.34047     13.10150         0.005849     -0.231616      0.141733
     18.92411      9.94930     12.53960        -0.037204     -0.162201      0.049161
     18.02171      9.82420     14.53635        -0.020547     -0.041177      0.051606
     16.26590     14.23273      9.83878         0.181369     -0.118314     -0.019849
     17.85105     14.88650      8.46921         0.101101      0.184376     -0.051749
     16.23660     13.65357      7.73000         0.139409      0.030597      0.011875
      1.72484     12.50652     12.57403        -0.162689     -0.077789     -0.298419
      0.24677     11.05111     12.04650        -0.110797     -0.081727     -0.015344
      1.31602     12.06802     10.46438         0.154442      0.059814      0.035089
      1.14190     15.63607      7.25611         0.024342      0.087801     -0.054797
     21.00358     15.69993      8.95130         0.238802      0.034755     -0.007424
      1.26320     14.18743      8.88919         0.191135      0.056405     -0.165514
     17.15636     16.06995      2.89825         0.213506     -0.024366     -0.168781
     18.77139     14.64696      3.16253         0.211664      0.032061     -0.035763
     16.93179     14.45951      4.35717         0.040680      0.063343     -0.242685
 -----------------------------------------------------------------------------------
    total drift:                               -0.007078      0.010228     -0.007929


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4563.2138870574 eV

  energy  without entropy=    -4563.3627108980  energy(sigma->0) =    -4563.26349500
 
 d Force = 0.1190307E+01[ 0.440E+00, 0.194E+01]  d Energy = 0.1179324E+01 0.110E-01
 d Force = 0.1387126E+04[ 0.138E+04, 0.139E+04]  d Ewald  = 0.1387128E+04-0.252E-02


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -1.179324  1 .order   -1.190307   -1.940245   -0.440369
  (g-gl).g = 0.649E+01      g.g   = 0.641E+01  gl.gl    = 0.756E+01
 g(Force)  = 0.641E+01   g(Stress)= 0.000E+00 ortho     =-0.951E-02
 gamma     =   0.85821
 trial     =   0.30285
 opt step  =   0.39720  (harmonic =   0.39177) maximal distance =0.05739484
 next E    = -4563.282155   (d E  =  -1.24759)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   43(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.7965946E-01  (-0.6842755E+01)
 number of electron    2497.9999988 magnetization 
 augmentation part      162.6767798 magnetization 

  free energy =  -0.456313422371E+04  energy without entropy=  -0.456328290189E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   43(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3568
 total energy-change (2. order) :-0.1504871E+00  (-0.1801259E+00)
 number of electron    2497.9999988 magnetization 
 augmentation part      162.6934338 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8735
  0.8735

  free energy =  -0.456328471077E+04  energy without entropy=  -0.456343349569E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   43(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3680
 total energy-change (2. order) : 0.4561751E-02  (-0.3290433E-02)
 number of electron    2497.9999988 magnetization 
 augmentation part      162.6793816 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4189
  1.0956  1.7422

  free energy =  -0.456328014902E+04  energy without entropy=  -0.456342890984E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   43(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) :-0.1443286E-02  (-0.2708098E-02)
 number of electron    2497.9999988 magnetization 
 augmentation part      162.6635757 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2740
  2.1634  0.9159  0.7427

  free energy =  -0.456328159231E+04  energy without entropy=  -0.456343031276E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   43(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) :-0.3824371E-03  (-0.5763768E-03)
 number of electron    2497.9999988 magnetization 
 augmentation part      162.6689227 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3326
  2.3675  0.9083  1.0273  1.0273

  free energy =  -0.456328197474E+04  energy without entropy=  -0.456343075698E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   43(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) : 0.2297456E-03  (-0.3610587E-03)
 number of electron    2497.9999988 magnetization 
 augmentation part      162.6722084 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2964
  2.3933  1.0968  1.0968  0.9475  0.9475

  free energy =  -0.456328174500E+04  energy without entropy=  -0.456343046935E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   43(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) :-0.3059764E-04  (-0.5517189E-04)
 number of electron    2497.9999988 magnetization 
 augmentation part      162.6736117 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2728
  2.4430  0.9748  0.9748  1.2387  1.2387  0.7666

  free energy =  -0.456328177560E+04  energy without entropy=  -0.456343059297E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   43(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) : 0.6194168E-06  (-0.8812587E-05)
 number of electron    2497.9999988 magnetization 
 augmentation part      162.6736117 magnetization 

  free energy =  -0.456328177498E+04  energy without entropy=  -0.456343052698E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0189       2 -56.1677       3 -56.0656       4 -55.7913       5 -55.7885
       6 -56.2984       7 -58.0935       8 -58.3176       9 -56.2828      10 -55.9707
      11 -56.0289      12 -55.7858      13 -55.7728      14 -55.9631      15 -58.0307
      16 -58.1310      17 -56.3331      18 -54.9393      19 -54.8816      20 -55.1348
      21 -55.6475      22 -55.6806      23 -55.7575      24 -55.6460      25 -54.9717
      26 -54.8517      27 -54.9734      28 -54.9397      29 -60.3857      30 -60.3500
      31 -55.6132      32 -55.8231      33 -55.7119      34 -55.2515      35 -55.4688
      36 -55.9621      37 -57.8023      38 -58.0774      39 -56.0687      40 -55.7854
      41 -55.9356      42 -55.7044      43 -55.7497      44 -55.9010      45 -58.0385
      46 -58.2378      47 -56.4758      48 -55.1668      49 -55.0051      50 -55.3002
      51 -55.9228      52 -55.9001      53 -55.8066      54 -55.7462      55 -55.1192
      56 -54.8704      57 -55.0044      58 -56.3629      59 -60.3605      60 -60.6234
      61 -55.9808      62 -56.0570      63 -55.9182      64 -55.7588      65 -55.7303
      66 -56.2238      67 -58.0123      68 -58.1682      69 -56.2617      70 -55.9191
      71 -56.0678      72 -55.7406      73 -55.6863      74 -55.9358      75 -58.0368
      76 -58.2580      77 -56.4877      78 -55.1085      79 -55.0295      80 -55.2995
      81 -55.8404      82 -55.8901      83 -55.9793      84 -55.9694      85 -55.1812
      86 -55.1271      87 -55.2189      88 -56.4718      89 -60.7369      90 -60.4143
      91 -55.6698      92 -55.7974      93 -55.6881      94 -55.4302      95 -55.5059
      96 -56.0009      97 -57.8384      98 -57.9915      99 -56.1185     100 -55.8791
     101 -56.0203     102 -55.6134     103 -55.6856     104 -55.9263     105 -58.0735
     106 -58.2716     107 -56.5150     108 -55.1673     109 -55.0023     110 -55.4044
     111 -55.9367     112 -55.8547     113 -55.7913     114 -55.7802     115 -55.1313
     116 -54.9288     117 -55.0259     118 -56.4028     119 -60.4944     120 -60.5884
     121 -55.8942     122 -55.9797     123 -55.8315     124 -55.7306     125 -55.7341
     126 -56.1285     127 -58.0131     128 -58.2328     129 -56.0467     130 -55.7278
     131 -55.8612     132 -55.5925     133 -55.5496     134 -55.7845     135 -57.9052
     136 -58.0258     137 -56.4275     138 -55.0920     139 -54.9860     140 -55.2432
     141 -55.8157     142 -55.9050     143 -55.9568     144 -55.9146     145 -55.1428
     146 -55.1367     147 -55.1858     148 -56.4173     149 -60.6382     150 -60.5393
     151 -55.5276     152 -55.6002     153 -55.4428     154 -55.2790     155 -55.3640
     156 -55.8190     157 -57.8568     158 -57.8430     159 -55.8781     160 -55.6459
     161 -55.8488     162 -55.4405     163 -55.5333     164 -55.7388     165 -57.9819
     166 -58.1996     167 -56.4406     168 -55.0983     169 -54.9360     170 -55.3055
     171 -55.9700     172 -55.9575     173 -55.8696     174 -55.7517     175 -55.3002
     176 -54.7714     177 -55.0048     178 -56.4039     179 -60.4307     180 -60.6235
     181 -55.9257     182 -56.1307     183 -55.9498     184 -55.6817     185 -55.6790
     186 -56.2089     187 -58.0488     188 -58.2246     189 -56.2091     190 -55.8425
     191 -55.9999     192 -55.7272     193 -55.7029     194 -55.9040     195 -58.0332
     196 -58.2370     197 -56.4964     198 -55.0408     199 -54.9865     200 -55.3117
     201 -55.8866     202 -55.9853     203 -55.9164     204 -55.8335     205 -55.1674
     206 -55.2098     207 -55.1179     208 -56.4258     209 -60.7490     210 -60.5185
     211 -55.9489     212 -56.1176     213 -55.9424     214 -55.7195     215 -55.6883
     216 -56.2126     217 -58.0931     218 -58.2873     219 -56.1066     220 -55.7877
     221 -55.8983     222 -55.5851     223 -55.4783     224 -55.7804     225 -57.9373
     226 -58.1259     227 -56.4619     228 -55.0403     229 -55.0218     230 -55.1880
     231 -55.7171     232 -55.9650     233 -56.0228     234 -55.7032     235 -55.1244
     236 -55.1535     237 -55.1813     238 -56.4800     239 -60.4017     240 -60.3409
     241 -55.9230     242 -55.9892     243 -55.8561     244 -55.7129     245 -55.7315
     246 -56.1782     247 -57.9807     248 -58.1883     249 -56.1692     250 -55.8479
     251 -55.9695     252 -55.6948     253 -55.6966     254 -55.8939     255 -57.9440
     256 -58.0916     257 -56.3720     258 -55.0811     259 -54.9106     260 -55.2003
     261 -55.7983     262 -55.8302     263 -55.9106     264 -55.9836     265 -55.4098
     266 -54.9778     267 -55.1424     268 -56.4776     269 -60.6440     270 -60.3515
     271 -55.8815     272 -55.9671     273 -55.7818     274 -55.7022     275 -55.6698
     276 -56.0556     277 -58.1059     278 -58.2051     279 -55.8785     280 -55.6373
     281 -55.7527     282 -55.4552     283 -55.4261     284 -55.7109     285 -57.9246
     286 -58.0878     287 -56.4174     288 -54.9986     289 -54.9464     290 -55.2898
     291 -55.8644     292 -55.8596     293 -55.8554     294 -55.7695     295 -55.1052
     296 -54.9085     297 -55.0085     298 -56.3534     299 -60.3523     300 -60.5275
     301 -55.8693     302 -56.0174     303 -55.8755     304 -55.5900     305 -55.6171
     306 -56.1082     307 -58.0484     308 -58.2567     309 -56.1315     310 -55.8056
     311 -55.9661     312 -55.6702     313 -55.6356     314 -55.8708     315 -57.9701
     316 -58.1272     317 -56.4242     318 -55.0350     319 -54.9189     320 -55.2264
     321 -55.8017     322 -55.8240     323 -55.9475     324 -55.9268     325 -55.1707
     326 -55.1381     327 -55.2187     328 -56.4623     329 -60.6402     330 -60.3655
     331 -55.7909     332 -55.8061     333 -55.6830     334 -55.6339     335 -55.5909
     336 -56.0386     337 -57.9932     338 -57.9685     339 -55.8734     340 -55.5348
     341 -55.7290     342 -55.5096     343 -55.5311     344 -55.7253     345 -57.9091
     346 -58.0389     347 -56.3894     348 -54.9314     349 -54.9278     350 -55.2303
     351 -55.7780     352 -55.8463     353 -55.8176     354 -55.7295     355 -55.1958
     356 -54.8740     357 -54.9835     358 -56.3927     359 -60.4098     360 -60.4985
     361 -39.1373     362 -38.8110     363 -39.0274     364 -39.0768     365 -39.0657
     366 -38.7608     367 -38.0713     368 -38.1200     369 -38.0745     370 -38.1483
     371 -38.1636     372 -38.1866     373 -38.8066     374 -38.3481     375 -38.7296
     376 -38.8782     377 -38.9108     378 -38.7979     379 -38.2000     380 -38.1612
     381 -38.2487     382 -38.0726     383 -38.2153     384 -38.0308     385 -38.8727
     386 -38.7634     387 -38.8770     388 -38.9191     389 -38.9008     390 -38.5871
     391 -38.2784     392 -38.2215     393 -38.1878     394 -38.1190     395 -38.2949
     396 -38.3401     397 -38.7579     398 -38.3710     399 -38.7576     400 -38.9352
     401 -38.7692     402 -38.8104     403 -38.3450     404 -38.2246     405 -38.3859
     406 -38.1014     407 -38.1276     408 -37.9294     409 -38.8163     410 -38.7860
     411 -39.0080     412 -38.7509     413 -38.9318     414 -38.6152     415 -38.2157
     416 -38.2294     417 -38.1298     418 -38.1683     419 -38.1704     420 -38.2642
     421 -38.5331     422 -38.2382     423 -38.5609     424 -38.6961     425 -38.5910
     426 -38.6319     427 -38.1909     428 -38.1486     429 -38.3285     430 -38.2224
     431 -38.1727     432 -37.9873     433 -38.8352     434 -38.6771     435 -39.0145
     436 -38.7982     437 -39.0458     438 -38.6808     439 -38.4685     440 -38.1727
     441 -38.1952     442 -38.1796     443 -38.3495     444 -38.0626     445 -38.9120
     446 -38.8109     447 -38.9347     448 -38.7925     449 -38.8162     450 -38.3825
     451 -38.0871     452 -38.0151     453 -38.0470     454 -38.0761     455 -38.1327
     456 -38.2134     457 -38.8996     458 -38.7010     459 -38.9299     460 -38.9059
     461 -38.9351     462 -38.6867     463 -38.1187     464 -38.2174     465 -38.1657
     466 -38.3042     467 -38.1074     468 -38.2532     469 -38.8781     470 -38.7568
     471 -38.8201     472 -38.7741     473 -38.6205     474 -38.3989     475 -38.1671
     476 -38.0655     477 -38.1487     478 -38.0206     479 -38.1655     480 -38.0055
     481 -38.9018     482 -38.7816     483 -38.9232     484 -38.8724     485 -38.9696
     486 -38.7773     487 -38.1737     488 -38.1709     489 -38.1289     490 -38.1964
     491 -38.2451     492 -38.3940     493 -38.8011     494 -38.5201     495 -38.7101
     496 -38.7606     497 -38.5977     498 -38.5550     499 -38.1840     500 -37.9787
     501 -38.1923     502 -38.1268     503 -38.0965     504 -37.9807     505 -38.2850
     506 -41.0880     507 -71.7165     508 -71.6501     509 -71.4696     510 -71.6200
     511 -71.6221     512 -71.6326     513 -71.3710     514 -71.6487     515 -71.6173
     516 -71.4612     517 -71.4038     518 -71.3837     519 -71.5926     520 -71.7300
     521 -71.6105     522 -71.5329     523 -71.5557     524 -71.4687     525 -71.6807
     526 -71.3989     527 -71.6174     528 -71.5575     529 -71.3075     530 -71.4544
     531 -76.9710     532 -76.6753     533 -76.7949     534 -76.5715     535 -76.7114
     536 -76.4754     537 -76.9677     538 -76.6178     539 -76.6826     540 -76.4900
     541 -76.9089     542 -76.6062     543 -76.6262     544 -76.4956     545 -76.9492
     546 -76.6617     547 -76.8789     548 -76.6644     549 -76.6293     550 -76.5221
     551 -76.4757     552 -76.5260     553 -76.9928     554 -76.7798     555 -76.7164
     556 -76.8013     557 -76.8724     558 -76.6657     559 -76.8329     560 -76.7456
     561 -76.7343     562 -76.5636     563 -76.9044     564 -76.5246     565 -76.7448
     566 -76.5222     567 -76.8445     568 -76.7109     569 -76.8002     570 -76.5939
     571 -76.9023     572 -76.6705     573 -76.7449     574 -76.5929     575 -76.5598
     576 -76.5840     577 -76.7803     578 -76.4954     579 -82.4892     580 -82.2891
     581 -82.2550     582 -82.3722     583 -82.2433     584 -82.2315     585 -82.4554
     586 -82.5490     587 -82.6479     588 -82.2633     589 -82.1448     590 -82.3268
     591 -82.4702     592 -82.2242     593 -82.3002     594 -82.7392     595 -82.4654
     596 -82.7354     597 -82.4164     598 -82.4960     599 -82.6448     600 -82.2834
     601 -82.2251     602 -82.6459     603 -82.5949     604 -82.3354     605 -82.6039
     606 -82.6480     607 -82.5661     608 -82.4618     609 -82.6608     610 -82.3804
     611 -82.4965     612 -82.4737     613 -82.3169     614 -82.1789     615 -82.4694
     616 -82.5879     617 -82.3937     618 -82.9350     619 -82.7127     620 -82.8559
     621 -82.2019     622 -82.4177     623 -82.3958     624 -82.4688     625 -82.2943
     626 -82.3164     627 -82.2311     628 -82.2807     629 -82.1596     630 -82.5149
     631 -82.5518     632 -82.3089     633 -82.3977     634 -82.4171     635 -82.5272
     636 -82.2540     637 -82.2407     638 -82.1864     639 -82.1095     640 -82.3650
     641 -82.3150     642 -82.5337     643 -82.5994     644 -82.4508     645 -82.3510
     646 -82.4853     647 -82.5442     648 -82.3399     649 -82.2965     650 -82.2549
 
 
 
 E-fermi :  -1.4648     XC(G=0):  -6.4550     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.4446      2.00000
      2     -29.1290      2.00000
      3     -29.0085      2.00000
      4     -28.9844      2.00000
      5     -28.9781      2.00000
      6     -28.9709      2.00000
      7     -28.9425      2.00000
      8     -28.8912      2.00000
      9     -28.8602      2.00000
     10     -28.8480      2.00000
     11     -28.8348      2.00000
     12     -28.8321      2.00000
     13     -28.8213      2.00000
     14     -28.8153      2.00000
     15     -28.7758      2.00000
     16     -28.7451      2.00000
     17     -28.6784      2.00000
     18     -28.6484      2.00000
     19     -28.6153      2.00000
     20     -28.5969      2.00000
     21     -28.5896      2.00000
     22     -28.5735      2.00000
     23     -28.5191      2.00000
     24     -28.4811      2.00000
     25     -27.2590      2.00000
     26     -26.8687      2.00000
     27     -26.8043      2.00000
     28     -26.7618      2.00000
     29     -26.7162      2.00000
     30     -26.6926      2.00000
     31     -26.6877      2.00000
     32     -26.6573      2.00000
     33     -26.6459      2.00000
     34     -26.6372      2.00000
     35     -26.6172      2.00000
     36     -26.6133      2.00000
     37     -26.6029      2.00000
     38     -26.5684      2.00000
     39     -26.5573      2.00000
     40     -26.5566      2.00000
     41     -26.5376      2.00000
     42     -26.5361      2.00000
     43     -26.5348      2.00000
     44     -26.4927      2.00000
     45     -26.4846      2.00000
     46     -26.4779      2.00000
     47     -26.4599      2.00000
     48     -26.4460      2.00000
     49     -26.4456      2.00000
     50     -26.4432      2.00000
     51     -26.4145      2.00000
     52     -26.4140      2.00000
     53     -26.4129      2.00000
     54     -26.4049      2.00000
     55     -26.4040      2.00000
     56     -26.3934      2.00000
     57     -26.3884      2.00000
     58     -26.3493      2.00000
     59     -26.3328      2.00000
     60     -26.3261      2.00000
     61     -26.3140      2.00000
     62     -26.2764      2.00000
     63     -26.2716      2.00000
     64     -26.2673      2.00000
     65     -26.2628      2.00000
     66     -26.2555      2.00000
     67     -26.2520      2.00000
     68     -26.2380      2.00000
     69     -26.2370      2.00000
     70     -26.2127      2.00000
     71     -26.1717      2.00000
     72     -26.1668      2.00000
     73     -23.3584      2.00000
     74     -23.2278      2.00000
     75     -23.2106      2.00000
     76     -23.1542      2.00000
     77     -23.1513      2.00000
     78     -23.1263      2.00000
     79     -23.0907      2.00000
     80     -23.0848      2.00000
     81     -23.0810      2.00000
     82     -23.0734      2.00000
     83     -23.0503      2.00000
     84     -23.0442      2.00000
     85     -23.0421      2.00000
     86     -23.0275      2.00000
     87     -23.0260      2.00000
     88     -22.9993      2.00000
     89     -22.9575      2.00000
     90     -22.9573      2.00000
     91     -22.9351      2.00000
     92     -22.9252      2.00000
     93     -22.8881      2.00000
     94     -22.8403      2.00000
     95     -22.8228      2.00000
     96     -22.8043      2.00000
     97     -22.7539      2.00000
     98     -22.6426      2.00000
     99     -22.6325      2.00000
    100     -22.6228      2.00000
    101     -22.6223      2.00000
    102     -22.6044      2.00000
    103     -22.5984      2.00000
    104     -22.5926      2.00000
    105     -22.5726      2.00000
    106     -22.5724      2.00000
    107     -22.5694      2.00000
    108     -22.5399      2.00000
    109     -22.5379      2.00000
    110     -22.5170      2.00000
    111     -22.5118      2.00000
    112     -22.4814      2.00000
    113     -22.4598      2.00000
    114     -22.4431      2.00000
    115     -22.4392      2.00000
    116     -22.3971      2.00000
    117     -22.3965      2.00000
    118     -22.3510      2.00000
    119     -22.3360      2.00000
    120     -22.2210      2.00000
    121     -20.4567      2.00000
    122     -20.4529      2.00000
    123     -20.3743      2.00000
    124     -20.3728      2.00000
    125     -20.3607      2.00000
    126     -20.3292      2.00000
    127     -20.2839      2.00000
    128     -20.2652      2.00000
    129     -20.2596      2.00000
    130     -20.2446      2.00000
    131     -20.2291      2.00000
    132     -20.2025      2.00000
    133     -20.1857      2.00000
    134     -20.1824      2.00000
    135     -20.1502      2.00000
    136     -20.1450      2.00000
    137     -20.1443      2.00000
    138     -20.1350      2.00000
    139     -20.1342      2.00000
    140     -20.1247      2.00000
    141     -20.1150      2.00000
    142     -20.1015      2.00000
    143     -20.0448      2.00000
    144     -20.0262      2.00000
    145     -18.7358      2.00000
    146     -18.6470      2.00000
    147     -18.5975      2.00000
    148     -18.5878      2.00000
    149     -18.5798      2.00000
    150     -18.5792      2.00000
    151     -18.5414      2.00000
    152     -18.5227      2.00000
    153     -18.5194      2.00000
    154     -18.4949      2.00000
    155     -18.4380      2.00000
    156     -18.4049      2.00000
    157     -18.3607      2.00000
    158     -18.3262      2.00000
    159     -18.2954      2.00000
    160     -18.2792      2.00000
    161     -18.2632      2.00000
    162     -18.2590      2.00000
    163     -18.2215      2.00000
    164     -18.2050      2.00000
    165     -18.1915      2.00000
    166     -18.1726      2.00000
    167     -18.1597      2.00000
    168     -18.0899      2.00000
    169     -17.9980      2.00000
    170     -17.9679      2.00000
    171     -17.9483      2.00000
    172     -17.9399      2.00000
    173     -17.8878      2.00000
    174     -17.8751      2.00000
    175     -17.8479      2.00000
    176     -17.8233      2.00000
    177     -17.8100      2.00000
    178     -17.7964      2.00000
    179     -17.7706      2.00000
    180     -17.7358      2.00000
    181     -17.6484      2.00000
    182     -17.6088      2.00000
    183     -17.5822      2.00000
    184     -17.5814      2.00000
    185     -17.5473      2.00000
    186     -17.5369      2.00000
    187     -17.5226      2.00000
    188     -17.5161      2.00000
    189     -17.5087      2.00000
    190     -17.5024      2.00000
    191     -17.4928      2.00000
    192     -17.4817      2.00000
    193     -16.8236      2.00000
    194     -16.8083      2.00000
    195     -16.7479      2.00000
    196     -16.7298      2.00000
    197     -16.6779      2.00000
    198     -16.6751      2.00000
    199     -16.6533      2.00000
    200     -16.6089      2.00000
    201     -16.5891      2.00000
    202     -16.5678      2.00000
    203     -16.5278      2.00000
    204     -16.5133      2.00000
    205     -16.2146      2.00000
    206     -16.1855      2.00000
    207     -16.1617      2.00000
    208     -16.1503      2.00000
    209     -16.1228      2.00000
    210     -16.0896      2.00000
    211     -16.0636      2.00000
    212     -16.0181      2.00000
    213     -16.0132      2.00000
    214     -15.9586      2.00000
    215     -15.9322      2.00000
    216     -15.8181      2.00000
    217     -15.7951      2.00000
    218     -15.7100      2.00000
    219     -15.6841      2.00000
    220     -15.6767      2.00000
    221     -15.6687      2.00000
    222     -15.6483      2.00000
    223     -15.6439      2.00000
    224     -15.6111      2.00000
    225     -15.5973      2.00000
    226     -15.5810      2.00000
    227     -15.5552      2.00000
    228     -15.5167      2.00000
    229     -15.5058      2.00000
    230     -15.4961      2.00000
    231     -15.4868      2.00000
    232     -15.4820      2.00000
    233     -15.4683      2.00000
    234     -15.4650      2.00000
    235     -15.4549      2.00000
    236     -15.4391      2.00000
    237     -15.4348      2.00000
    238     -15.4166      2.00000
    239     -15.4146      2.00000
    240     -15.3967      2.00000
    241     -15.3890      2.00000
    242     -15.3800      2.00000
    243     -15.3571      2.00000
    244     -15.3542      2.00000
    245     -15.3434      2.00000
    246     -15.3324      2.00000
    247     -15.3249      2.00000
    248     -15.3104      2.00000
    249     -15.3063      2.00000
    250     -15.3039      2.00000
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    252     -15.2852      2.00000
    253     -15.2781      2.00000
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    255     -15.2540      2.00000
    256     -15.2462      2.00000
    257     -15.2337      2.00000
    258     -15.2200      2.00000
    259     -15.2153      2.00000
    260     -15.2044      2.00000
    261     -15.1980      2.00000
    262     -15.1817      2.00000
    263     -15.1776      2.00000
    264     -15.1697      2.00000
    265     -15.1465      2.00000
    266     -15.1290      2.00000
    267     -15.1254      2.00000
    268     -15.1144      2.00000
    269     -15.0917      2.00000
    270     -15.0729      2.00000
    271     -15.0201      2.00000
    272     -15.0081      2.00000
    273     -14.9797      2.00000
    274     -14.9727      2.00000
    275     -14.9460      2.00000
    276     -14.8794      2.00000
    277     -14.6340      2.00000
    278     -14.6098      2.00000
    279     -14.5804      2.00000
    280     -14.5376      2.00000
    281     -14.5000      2.00000
    282     -14.4555      2.00000
    283     -14.4326      2.00000
    284     -14.3883      2.00000
    285     -14.3669      2.00000
    286     -14.3296      2.00000
    287     -14.3089      2.00000
    288     -14.2923      2.00000
    289     -13.6417      2.00000
    290     -13.5584      2.00000
    291     -13.5277      2.00000
    292     -13.4999      2.00000
    293     -13.4965      2.00000
    294     -13.4852      2.00000
    295     -13.4586      2.00000
    296     -13.4463      2.00000
    297     -13.4248      2.00000
    298     -13.4181      2.00000
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    300     -13.3835      2.00000
    301     -13.3771      2.00000
    302     -13.3753      2.00000
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    306     -13.3287      2.00000
    307     -13.3019      2.00000
    308     -13.2998      2.00000
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    310     -13.2657      2.00000
    311     -13.2502      2.00000
    312     -13.2460      2.00000
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    314     -13.2127      2.00000
    315     -13.1988      2.00000
    316     -13.1839      2.00000
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   1450       5.0215      0.00000
   1451       5.0450      0.00000
   1452       5.0526      0.00000
   1453       5.0856      0.00000
   1454       5.1006      0.00000
   1455       5.1201      0.00000
   1456       5.1314      0.00000
   1457       5.1333      0.00000
   1458       5.1483      0.00000
   1459       5.1558      0.00000
   1460       5.1693      0.00000
   1461       5.1889      0.00000
   1462       5.2237      0.00000
   1463       5.2286      0.00000
   1464       5.2351      0.00000
   1465       5.2453      0.00000
   1466       5.2571      0.00000
   1467       5.2797      0.00000
   1468       5.2858      0.00000
   1469       5.2942      0.00000
   1470       5.3130      0.00000
   1471       5.3148      0.00000
   1472       5.3257      0.00000
   1473       5.3457      0.00000
   1474       5.3559      0.00000
   1475       5.3603      0.00000
   1476       5.3683      0.00000
   1477       5.3789      0.00000
   1478       5.3890      0.00000
   1479       5.3938      0.00000
   1480       5.4088      0.00000
   1481       5.4229      0.00000
   1482       5.4249      0.00000
   1483       5.4385      0.00000
   1484       5.4436      0.00000
   1485       5.4450      0.00000
   1486       5.4598      0.00000
   1487       5.4744      0.00000
   1488       5.4793      0.00000
   1489       5.4837      0.00000
   1490       5.4961      0.00000
   1491       5.5012      0.00000
   1492       5.5035      0.00000
   1493       5.5081      0.00000
   1494       5.5197      0.00000
   1495       5.5279      0.00000
   1496       5.5305      0.00000
   1497       5.5488      0.00000
   1498       5.5616      0.00000
   1499       5.5659      0.00000
   1500       5.5709      0.00000
   1501       5.5760      0.00000
   1502       5.5905      0.00000
   1503       5.6013      0.00000
   1504       5.6044      0.00000
   1505       5.6256      0.00000
   1506       5.6305      0.00000
   1507       5.6477      0.00000
   1508       5.6564      0.00000
   1509       5.6636      0.00000
   1510       5.6682      0.00000
   1511       5.6858      0.00000
   1512       5.6965      0.00000
   1513       5.7039      0.00000
   1514       5.7106      0.00000
   1515       5.7194      0.00000
   1516       5.7347      0.00000
   1517       5.7364      0.00000
   1518       5.7538      0.00000
   1519       5.7567      0.00000
   1520       5.7767      0.00000
   1521       5.7824      0.00000
   1522       5.7973      0.00000
   1523       5.8025      0.00000
   1524       5.8180      0.00000
   1525       5.8244      0.00000
   1526       5.8290      0.00000
   1527       5.8389      0.00000
   1528       5.8560      0.00000
   1529       5.8721      0.00000
   1530       5.8782      0.00000
   1531       5.8928      0.00000
   1532       5.8974      0.00000
   1533       5.9028      0.00000
   1534       5.9112      0.00000
   1535       5.9220      0.00000
   1536       5.9289      0.00000
   1537       5.9417      0.00000
   1538       5.9431      0.00000
   1539       5.9581      0.00000
   1540       5.9610      0.00000
   1541       5.9732      0.00000
   1542       5.9861      0.00000
   1543       5.9968      0.00000
   1544       6.0025      0.00000
   1545       6.0146      0.00000
   1546       6.0182      0.00000
   1547       6.0291      0.00000
   1548       6.0384      0.00000
   1549       6.0506      0.00000
   1550       6.0577      0.00000
   1551       6.0612      0.00000
   1552       6.0696      0.00000
   1553       6.0833      0.00000
   1554       6.0940      0.00000
   1555       6.1003      0.00000
   1556       6.1038      0.00000
   1557       6.1196      0.00000
   1558       6.1246      0.00000
   1559       6.1307      0.00000
   1560       6.1462      0.00000
   1561       6.1524      0.00000
   1562       6.1561      0.00000
   1563       6.1634      0.00000
   1564       6.1759      0.00000
   1565       6.1884      0.00000
   1566       6.1890      0.00000
   1567       6.2009      0.00000
   1568       6.2150      0.00000
   1569       6.2196      0.00000
   1570       6.2264      0.00000
   1571       6.2344      0.00000
   1572       6.2401      0.00000
   1573       6.2481      0.00000
   1574       6.2584      0.00000
   1575       6.2698      0.00000
   1576       6.2741      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.088  13.412  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.412  17.831  -0.001   0.002  -0.000   0.002  -0.006   0.000
 -0.001  -0.001  -4.231   0.003   0.001   8.275  -0.004  -0.001
  0.001   0.002   0.003  -4.232   0.001  -0.004   8.274  -0.001
 -0.000  -0.000   0.001   0.001  -4.224  -0.001  -0.001   8.265
  0.002   0.002   8.275  -0.004  -0.001 -18.312   0.007   0.001
 -0.004  -0.006  -0.004   8.274  -0.001   0.007 -18.309   0.000
  0.000   0.000  -0.001  -0.001   8.265   0.001   0.000 -18.302
 total augmentation occupancy for first ion, spin component:           1
  8.633  -3.909   0.174   0.128  -0.051   0.022   0.024  -0.008
 -3.909   1.843  -0.085  -0.089   0.029  -0.009  -0.015   0.004
  0.174  -0.085   1.799  -0.067  -0.039   0.171  -0.012  -0.007
  0.128  -0.089  -0.067   1.930  -0.076  -0.012   0.181  -0.010
 -0.051   0.029  -0.039  -0.076   1.227  -0.007  -0.010   0.082
  0.022  -0.009   0.171  -0.012  -0.007   0.018  -0.002  -0.001
  0.024  -0.015  -0.012   0.181  -0.010  -0.002   0.019  -0.001
 -0.008   0.004  -0.007  -0.010   0.082  -0.001  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -52520.25132101821.41647 28428.49178-12200.47352  6754.54800 22401.69218
  Hartree  2933.66624128642.39311 66640.67239-12507.47480  4722.12765 16829.13792
  E(xc)  -10738.29829-10592.33654-10636.25834     2.46332     8.03218    31.40398
  Local   16166.19998************************ 24695.57833-11506.16223-38661.40203
  n-local -5851.85822 -5978.12258 -6036.95776     4.18830    16.70689   -61.38452
  augment  1491.81125  1535.32284  1486.43636     5.22013    13.14523    -2.09013
  Kinetic 45549.64395 43220.45175 43738.65774   -21.71484   -73.85533  -541.36949
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -61.2277016   -417.3989177   -104.3933540    -22.2130745    -65.4576110     -4.0120930
  in kB      -10.2102093    -69.6046105    -17.4084274     -3.7042080    -10.9155806     -0.6690486
  external PRESSURE =     -32.4077491 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.254E+03 -.117E+03 0.250E+03   0.255E+03 0.117E+03 -.251E+03   -.874E-01 -.855E+00 0.148E+01   -.834E-03 -.716E-03 0.192E-02
   -.210E+03 -.139E+03 0.528E+02   0.210E+03 0.141E+03 -.523E+02   0.244E+00 -.121E+01 -.287E+00   -.441E-03 -.788E-03 0.112E-02
   -.181E+03 -.128E+03 0.373E+01   0.180E+03 0.129E+03 -.211E+01   0.282E+00 -.115E+01 -.147E+01   0.280E-03 -.910E-03 0.916E-03
   -.235E+03 -.106E+03 0.350E+03   0.235E+03 0.106E+03 -.352E+03   -.190E+00 0.585E-01 0.257E+01   0.651E-04 -.943E-04 0.167E-02
   -.187E+03 -.150E+03 0.310E+03   0.187E+03 0.150E+03 -.311E+03   0.170E+00 -.841E+00 0.840E+00   0.247E-03 0.250E-03 0.103E-02
   -.164E+03 -.115E+03 0.169E+03   0.164E+03 0.115E+03 -.169E+03   0.129E+00 -.266E+00 0.428E-01   0.248E-03 -.510E-03 0.774E-03
   -.262E+03 -.133E+03 0.189E+03   0.261E+03 0.137E+03 -.191E+03   0.529E+00 -.464E+01 0.867E+00   -.305E-02 0.222E-02 0.428E-02
   -.193E+03 -.119E+03 0.303E+02   0.193E+03 0.123E+03 -.322E+02   -.524E+00 -.409E+01 0.201E+01   -.958E-03 -.461E-05 0.331E-03
   -.118E+03 0.756E+01 0.200E+03   0.118E+03 -.765E+01 -.200E+03   0.185E+00 -.272E-02 0.267E+00   0.101E-03 -.201E-03 0.448E-03
   -.932E+02 0.886E+02 0.651E+02   0.927E+02 -.901E+02 -.639E+02   0.460E+00 0.143E+01 -.866E+00   0.275E-03 -.572E-03 0.646E-03
   -.106E+03 0.112E+03 0.135E+03   0.106E+03 -.113E+03 -.135E+03   0.177E+00 0.107E+01 0.460E-01   -.704E-03 -.119E-02 0.226E-04
   -.126E+03 0.267E+01 0.339E+03   0.126E+03 -.287E+01 -.340E+03   -.298E+00 0.421E+00 0.119E+01   -.695E-03 -.210E-03 -.301E-03
   -.126E+03 -.337E+02 0.372E+03   0.126E+03 0.346E+02 -.375E+03   -.150E-03 -.102E+01 0.240E+01   -.145E-02 -.948E-03 -.952E-04
   -.132E+03 0.311E+02 0.310E+03   0.132E+03 -.311E+02 -.312E+03   -.148E+00 0.219E+00 0.173E+01   -.124E-02 -.111E-02 0.224E-03
   -.129E+03 0.110E+03 0.280E+03   0.128E+03 -.112E+03 -.283E+03   0.557E+00 0.410E+01 0.223E+01   -.197E-02 -.242E-02 0.425E-03
   -.981E+02 0.124E+03 0.108E+03   0.978E+02 -.127E+03 -.111E+03   0.250E+00 0.292E+01 0.344E+01   -.132E-02 -.152E-02 -.357E-03
   -.938E+02 0.122E+03 0.628E+02   0.943E+02 -.117E+03 -.586E+02   -.455E+00 -.486E+01 -.439E+01   -.146E-02 -.740E-03 -.521E-04
   -.238E+02 0.208E+03 -.154E+03   0.231E+02 -.210E+03 0.156E+03   0.661E+00 0.194E+01 -.243E+01   -.884E-03 -.160E-02 -.377E-03
   0.119E+02 0.153E+03 -.204E+03   -.122E+02 -.153E+03 0.206E+03   0.315E+00 0.178E+00 -.166E+01   -.759E-03 -.760E-03 -.775E-03
   -.836E+02 0.124E+03 0.191E+03   0.846E+02 -.124E+03 -.194E+03   -.108E+01 -.914E+00 0.335E+01   -.188E-02 -.171E-02 0.141E-02
   -.144E+02 0.814E+02 -.498E+01   0.131E+02 -.830E+02 0.620E+01   0.145E+01 0.172E+01 -.129E+01   -.211E-02 -.824E-03 0.460E-03
   -.185E+02 0.166E+02 -.144E+03   0.186E+02 -.171E+02 0.145E+03   -.906E-01 -.567E-01 -.100E+01   -.160E-02 0.156E-03 -.173E-03
   -.598E+02 -.311E+02 -.185E+03   0.602E+02 0.316E+02 0.185E+03   -.459E+00 -.231E+00 0.760E+00   -.984E-03 0.101E-02 -.824E-05
   -.574E+02 -.691E+02 -.240E+03   0.586E+02 0.708E+02 0.239E+03   -.116E+01 -.154E+01 0.147E+01   -.668E-03 0.153E-02 -.452E-03
   -.363E+02 -.156E+03 -.352E+03   0.359E+02 0.156E+03 0.354E+03   0.333E+00 -.275E+00 -.184E+01   -.473E-03 0.204E-02 -.529E-03
   -.122E+03 -.170E+03 -.168E+03   0.123E+03 0.170E+03 0.166E+03   -.735E+00 -.280E+00 0.178E+01   -.729E-03 0.126E-02 0.124E-02
   -.985E+02 -.290E+03 -.199E+03   0.988E+02 0.290E+03 0.198E+03   -.155E+00 -.968E+00 0.436E+00   -.427E-03 0.136E-02 0.937E-03
   -.526E+02 -.265E+03 -.308E+03   0.526E+02 0.266E+03 0.309E+03   0.137E+00 -.121E+01 -.531E+00   -.337E-03 0.163E-02 -.150E-03
   -.538E+02 -.191E+02 -.231E+03   0.596E+02 0.265E+02 0.226E+03   -.586E+01 -.783E+01 0.516E+01   -.485E-03 0.140E-02 -.221E-02
   -.220E+02 0.533E+02 0.334E+02   0.174E+02 -.624E+02 -.290E+02   0.499E+01 0.904E+01 -.463E+01   -.470E-02 0.102E-02 0.546E-03
   -.223E+03 -.266E+02 -.421E+02   0.223E+03 0.268E+02 0.438E+02   -.195E+00 -.296E+00 -.172E+01   0.472E-03 -.267E-03 -.278E-03
   -.154E+03 -.152E+03 0.137E+03   0.154E+03 0.153E+03 -.137E+03   0.813E-01 -.139E+01 -.244E+00   0.667E-05 -.758E-03 0.691E-03
   -.171E+03 -.154E+03 0.175E+03   0.171E+03 0.156E+03 -.176E+03   0.449E-01 -.166E+01 0.797E+00   -.579E-03 -.307E-03 0.274E-03
   -.324E+03 0.828E+01 -.166E+03   0.324E+03 -.102E+02 0.168E+03   0.406E+00 0.189E+01 -.300E+01   0.593E-03 0.210E-03 -.145E-02
   -.310E+03 -.678E+02 -.194E+03   0.309E+03 0.677E+02 0.195E+03   0.195E+00 -.198E+00 -.120E+01   0.138E-03 0.104E-03 -.869E-03
   -.235E+03 -.721E+02 -.989E+01   0.235E+03 0.720E+02 0.976E+01   0.379E+00 0.129E+00 -.285E+00   -.383E-03 -.368E-03 0.203E-03
   -.125E+03 -.523E+02 -.354E+01   0.126E+03 0.560E+02 0.638E+01   -.775E+00 -.415E+01 -.267E+01   0.494E-03 0.534E-03 -.128E-02
   -.752E+02 -.144E+03 0.116E+03   0.756E+02 0.148E+03 -.113E+03   -.334E+00 -.308E+01 -.378E+01   0.280E-03 -.157E-02 0.114E-02
   -.206E+03 0.473E+02 -.201E+02   0.206E+03 -.476E+02 0.201E+02   0.202E+00 0.327E+00 -.688E-01   -.605E-03 0.997E-04 0.418E-03
   -.123E+03 0.601E+02 0.186E+03   0.123E+03 -.612E+02 -.188E+03   0.128E+00 0.127E+01 0.154E+01   -.115E-02 0.173E-03 -.131E-03
   -.851E+02 0.822E+02 0.105E+03   0.851E+02 -.836E+02 -.106E+03   0.293E-01 0.145E+01 0.224E+00   -.111E-02 -.105E-03 0.136E-03
   -.235E+03 0.844E+02 -.237E+03   0.235E+03 -.852E+02 0.238E+03   0.171E-01 0.980E+00 -.865E+00   -.480E-03 0.114E-03 0.607E-04
   -.192E+03 0.420E+02 -.309E+03   0.192E+03 -.422E+02 0.311E+03   0.229E+00 0.125E+00 -.237E+01   -.604E-03 -.899E-03 -.609E-03
   -.121E+03 0.636E+02 -.164E+03   0.122E+03 -.645E+02 0.165E+03   -.185E+00 0.102E+01 -.144E+01   -.730E-03 -.510E-03 -.557E-03
   -.622E+02 0.104E+03 -.107E+03   0.620E+02 -.108E+03 0.109E+03   0.313E+00 0.493E+01 -.537E+00   -.843E-03 -.268E-02 -.262E-02
   -.229E+02 0.881E+02 0.128E+03   0.225E+02 -.923E+02 -.125E+03   0.460E+00 0.439E+01 -.212E+01   -.131E-02 -.135E-02 0.140E-02
   0.285E+02 0.598E+02 0.978E+02   -.269E+02 -.542E+02 -.998E+02   -.170E+01 -.586E+01 0.191E+01   -.160E-02 -.656E-03 0.733E-04
   -.651E+01 0.136E+03 0.278E+03   0.751E+01 -.137E+03 -.281E+03   -.123E+01 0.120E+01 0.278E+01   -.250E-02 -.536E-03 0.702E-03
   -.359E+02 0.131E+03 0.244E+03   0.368E+02 -.130E+03 -.246E+03   -.939E+00 -.488E+00 0.188E+01   -.312E-02 0.632E-03 0.957E-03
   0.459E+02 0.815E+02 -.579E+02   -.469E+02 -.818E+02 0.611E+02   0.113E+01 0.195E+00 -.335E+01   -.191E-02 0.549E-03 -.104E-02
   0.426E+01 0.316E+02 0.268E+02   -.369E+01 -.325E+02 -.289E+02   -.618E+00 0.118E+01 0.199E+01   -.193E-02 0.123E-02 -.424E-04
   -.128E+02 0.171E+02 0.889E+02   0.132E+02 -.169E+02 -.898E+02   -.607E+00 -.318E+00 0.763E+00   -.240E-02 0.151E-02 0.717E-03
   -.900E+02 0.142E+01 0.450E+02   0.899E+02 -.140E+01 -.445E+02   0.196E+00 0.161E+00 -.641E+00   -.299E-02 0.175E-02 0.920E-03
   -.183E+03 -.171E+02 0.964E+02   0.182E+03 0.179E+02 -.944E+02   0.612E+00 -.799E+00 -.179E+01   -.329E-02 0.216E-02 0.814E-03
   -.270E+03 -.799E+02 0.173E+03   0.271E+03 0.803E+02 -.176E+03   -.135E+01 0.838E-01 0.329E+01   -.256E-02 0.222E-02 0.135E-02
   -.952E+02 -.121E+03 -.122E+03   0.948E+02 0.121E+03 0.124E+03   0.347E+00 0.524E+00 -.173E+01   -.240E-02 0.138E-02 0.967E-04
   -.125E+03 -.129E+03 -.164E+03   0.125E+03 0.130E+03 0.167E+03   0.843E+00 -.115E+01 -.292E+01   -.167E-02 0.148E-02 0.311E-04
   -.202E+03 -.613E+02 0.354E+02   0.201E+03 0.551E+02 -.334E+02   0.981E+00 0.630E+01 -.190E+01   -.198E-02 0.212E-02 0.489E-03
   -.220E+03 0.172E+02 0.155E+03   0.217E+03 -.114E+02 -.147E+03   0.257E+01 -.615E+01 -.865E+01   -.506E-02 0.178E-02 0.674E-03
   -.513E+02 0.466E+01 -.565E+02   0.536E+02 -.111E+02 0.477E+02   -.205E+01 0.670E+01 0.863E+01   -.138E-02 0.127E-02 -.381E-03
   -.384E+03 -.734E+02 0.826E+02   0.384E+03 0.739E+02 -.841E+02   -.167E+00 -.850E+00 0.152E+01   -.289E-02 0.663E-03 0.207E-02
   -.379E+03 -.101E+03 -.896E+02   0.379E+03 0.102E+03 0.901E+02   0.176E+00 -.148E+01 -.188E+00   -.186E-02 0.481E-03 0.101E-02
   -.346E+03 -.938E+02 -.131E+03   0.346E+03 0.952E+02 0.133E+03   0.115E+00 -.878E+00 -.150E+01   -.162E-03 0.105E-02 0.881E-03
   -.322E+03 -.681E+02 0.171E+03   0.322E+03 0.683E+02 -.173E+03   -.138E+00 0.247E-01 0.237E+01   -.159E-02 0.228E-02 0.170E-02
   -.268E+03 -.111E+03 0.131E+03   0.268E+03 0.112E+03 -.132E+03   0.138E+00 -.795E+00 0.634E+00   -.618E-03 0.141E-02 0.122E-02
   -.289E+03 -.836E+02 -.302E+00   0.289E+03 0.836E+02 0.501E+00   0.526E-02 -.328E+00 -.410E-01   -.136E-03 0.676E-03 0.466E-03
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   0.132E+03 -.124E+03 -.421E+03   -.115E+03 0.133E+03 0.476E+03   -.168E+02 -.897E+01 -.540E+02   0.248E-02 0.210E-02 0.550E-03
   0.547E+03 0.438E+03 -.252E+03   -.583E+03 -.472E+03 0.260E+03   0.359E+02 0.339E+02 -.776E+01   0.144E-02 0.753E-03 -.253E-03
   -.445E+02 0.217E+03 0.105E+03   0.845E+02 -.241E+03 -.134E+03   -.398E+02 0.237E+02 0.290E+02   0.211E-02 0.114E-02 0.236E-02
   -.551E+03 -.243E+03 0.502E+03   0.595E+03 0.263E+03 -.520E+03   -.448E+02 -.200E+02 0.177E+02   0.791E-04 -.435E-03 0.153E-02
   0.579E+02 -.391E+03 0.478E+02   -.882E+02 0.428E+03 -.254E+02   0.303E+02 -.375E+02 -.223E+02   0.334E-02 -.221E-02 -.162E-02
   -.107E+03 0.291E+02 0.258E+02   0.118E+03 -.583E+02 0.178E+02   -.104E+02 0.295E+02 -.440E+02   0.485E-03 0.840E-03 0.778E-03
   0.783E+03 -.145E+03 0.762E+02   -.820E+03 0.174E+03 -.105E+03   0.368E+02 -.288E+02 0.291E+02   -.905E-03 0.227E-02 0.384E-02
   0.146E+03 0.377E+03 0.159E+03   -.120E+03 -.404E+03 -.190E+03   -.273E+02 0.279E+02 0.314E+02   -.456E-02 0.345E-02 -.363E-02
   0.741E+03 0.281E+03 0.129E+03   -.774E+03 -.315E+03 -.103E+03   0.331E+02 0.342E+02 -.259E+02   0.140E-02 0.298E-02 -.124E-02
   0.716E+03 -.105E+03 -.484E+03   -.724E+03 0.115E+03 0.536E+03   0.799E+01 -.100E+02 -.517E+02   0.208E-02 -.250E-03 -.194E-02
   0.514E+03 -.411E+03 -.131E+03   -.503E+03 0.456E+03 0.108E+03   -.111E+02 -.445E+02 0.232E+02   0.170E-02 0.682E-03 -.224E-03
   0.959E+03 0.130E+03 -.108E+03   -.101E+04 -.139E+03 0.902E+02   0.481E+02 0.917E+01 0.185E+02   0.480E-02 -.655E-03 0.370E-02
   -.430E+03 0.453E+02 -.399E+03   0.461E+03 -.450E+02 0.439E+03   -.315E+02 -.420E+00 -.409E+02   -.295E-03 0.279E-02 -.229E-02
   0.154E+02 0.540E+03 -.957E+02   -.210E+02 -.593E+03 0.928E+02   0.534E+01 0.537E+02 0.335E+01   0.179E-02 0.296E-02 -.291E-02
   -.231E+03 -.102E+03 0.177E+03   0.254E+03 0.112E+03 -.221E+03   -.228E+02 -.108E+02 0.438E+02   0.191E-02 0.202E-02 -.824E-03
   -.339E+03 -.318E+03 0.116E+03   0.358E+03 0.345E+03 -.154E+03   -.193E+02 -.273E+02 0.376E+02   -.147E-02 -.488E-02 -.447E-03
   0.142E+03 -.507E+03 -.263E+03   -.158E+03 0.542E+03 0.299E+03   0.169E+02 -.351E+02 -.363E+02   0.161E-02 -.490E-02 -.306E-02
   -.383E+03 -.104E+03 -.385E+02   0.425E+03 0.807E+02 0.640E+02   -.422E+02 0.231E+02 -.257E+02   0.994E-03 -.206E-02 -.384E-02
   0.882E+03 -.443E+02 -.181E+03   -.926E+03 0.671E+02 0.161E+03   0.435E+02 -.230E+02 0.196E+02   0.373E-02 0.948E-03 0.273E-02
   0.469E+03 0.421E+03 0.337E+02   -.454E+03 -.449E+03 -.741E+02   -.155E+02 0.276E+02 0.405E+02   0.415E-02 0.235E-02 0.184E-02
   0.770E+03 0.308E+03 -.411E+03   -.788E+03 -.341E+03 0.448E+03   0.182E+02 0.336E+02 -.369E+02   0.562E-02 0.473E-02 0.175E-02
   0.399E+03 -.716E+02 -.614E+03   -.429E+03 0.861E+02 0.653E+03   0.308E+02 -.147E+02 -.385E+02   -.552E-03 -.978E-03 -.100E-02
   0.302E+02 -.385E+03 -.750E+02   -.318E+00 0.427E+03 0.611E+02   -.297E+02 -.418E+02 0.138E+02   -.523E-02 -.704E-03 0.608E-02
   0.271E+03 0.165E+03 0.111E+03   -.304E+03 -.170E+03 -.152E+03   0.333E+02 0.497E+01 0.418E+02   -.356E-02 -.259E-02 0.185E-02
   -.237E+03 -.167E+03 -.382E+03   0.276E+03 0.174E+03 0.417E+03   -.393E+02 -.741E+01 -.352E+02   -.243E-02 -.279E-02 0.115E-02
   0.264E+03 0.355E+03 -.202E+03   -.281E+03 -.403E+03 0.218E+03   0.165E+02 0.479E+02 -.160E+02   0.334E-02 -.582E-04 0.333E-02
   -.628E+02 -.257E+02 0.129E+03   0.852E+02 0.174E+02 -.177E+03   -.223E+02 0.835E+01 0.475E+02   0.964E-03 -.124E-02 0.438E-02
   -.278E+03 -.408E+03 0.416E+03   0.307E+03 0.437E+03 -.448E+03   -.288E+02 -.292E+02 0.321E+02   0.466E-02 0.972E-03 -.686E-03
   0.165E+03 -.503E+03 -.119E+03   -.189E+03 0.533E+03 0.153E+03   0.238E+02 -.306E+02 -.343E+02   0.632E-02 -.385E-03 0.309E-02
   -.252E+03 -.125E+03 -.198E+01   0.286E+03 0.988E+02 0.336E+02   -.346E+02 0.258E+02 -.318E+02   0.231E-02 -.640E-03 0.236E-03
   -.126E+02 -.155E+03 0.847E+03   -.153E+02 0.182E+03 -.886E+03   0.281E+02 -.266E+02 0.388E+02   0.550E-02 0.559E-03 -.182E-02
   -.200E+03 0.211E+03 0.650E+03   0.235E+03 -.238E+03 -.677E+03   -.353E+02 0.276E+02 0.270E+02   0.502E-02 -.130E-02 -.619E-02
   0.104E+03 0.412E+03 0.304E+03   -.138E+03 -.445E+03 -.286E+03   0.340E+02 0.324E+02 -.184E+02   -.854E-03 -.135E-02 -.268E-02
 -----------------------------------------------------------------------------------------------
   0.600E+00 0.674E+01 0.265E+01   0.233E-11 -.284E-11 -.131E-11   -.512E+00 -.670E+01 -.285E+01   -.109E+00 -.390E-01 0.192E+00
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     12.99908      3.16930      1.38881         0.022359     -0.342391     -0.022738
     12.79944      3.58256      2.69615        -0.012896      0.019699      0.216637
     12.76382      4.94615      3.02317        -0.007002      0.102032      0.158574
     13.02331      4.08283      0.35618         0.015683      0.218012     -0.096242
     12.94045      5.43730      0.68591         0.026157     -0.198161     -0.271742
     12.87784      5.93280      2.00294         0.036727     -0.182506      0.053157
     13.12743      1.69477      1.34994         0.373317     -0.713533     -0.825933
     12.62190      2.33796      3.52747        -0.118767     -0.012673      0.057938
     12.98382      7.42014      2.23241         0.082950     -0.087856      0.153256
     12.96620      8.02421      3.51024         0.002776     -0.053710      0.392911
     13.26186      9.38332      3.65181        -0.055481     -0.021981      0.169854
     13.19921      8.29641      1.14436        -0.082269      0.227158      0.021793
     13.40821      9.67196      1.27579        -0.003373     -0.087480     -0.073220
     13.47163     10.20004      2.55438         0.050434      0.235839      0.244236
     13.68466     11.59385      3.02837         0.233373      1.282778     -1.020077
     13.38495     10.22859      4.88404        -0.087568     -0.211270      0.221669
     13.73378     12.72388      5.34256        -0.023017     -0.105330     -0.227028
     13.42933     12.61647      6.70322         0.012634      0.072270     -0.300842
     13.42568     13.73327      7.53253         0.008302      0.078369      0.520061
     14.05391     14.01247      4.89779        -0.047262     -0.172106      0.150219
     14.04989     15.11973      5.77072         0.174350      0.065109     -0.068336
     13.76423     15.05903      7.17874        -0.007239     -0.470677     -0.125489
     13.83800     16.16794      8.23858        -0.065420      0.258356      0.217185
     13.28023     16.12776      9.57686         0.006275      0.142927      0.163841
     13.37340     17.23468     10.44044        -0.018778      0.165447     -0.023046
     14.44167     17.42955      7.96593         0.081627      0.043127     -0.010944
     14.43122     18.55960      8.79676         0.132977     -0.229721     -0.014795
     13.91055     18.45887     10.07460         0.120567     -0.068727     -0.088788
     12.49765     15.02154     10.25218        -0.083915     -0.376473     -0.159336
     14.60370     16.33335      5.10014         0.351216     -0.050121     -0.226811
      9.69480      3.86387      4.79119         0.053151     -0.106285      0.028805
      9.75336      4.79506      3.76954         0.024001      0.009164     -0.088631
      9.89412      6.15590      4.07682        -0.052993      0.057545     -0.224534
      9.74636      4.24927      6.11810         0.175876      0.012137     -0.138911
      9.80641      5.60346      6.41784         0.094984     -0.290979      0.178426
      9.90195      6.59510      5.42849         0.099210      0.071883     -0.409466
      9.47968      2.51099      4.24707        -0.029526     -0.489781      0.173667
      9.65266      4.03330      2.47291         0.046130      0.097257     -0.328069
     10.00281      8.03690      5.81345         0.060523     -0.012115     -0.055029
     10.16203      9.05424      4.85076        -0.061285      0.167694     -0.393170
     10.24069     10.38415      5.24269         0.042572      0.037303     -0.165393
      9.92244      8.44927      7.16228         0.064529      0.159970      0.088666
      9.99777      9.78974      7.56317         0.102745     -0.105040     -0.066002
     10.17350     10.75223      6.57978        -0.010620      0.085516     -0.115887
     10.27094     12.22087      6.66994         0.034730      1.061748      1.140398
     10.38572     11.62533      4.42033         0.070912      0.153623      0.484518
     10.80139     14.09878      4.98697        -0.107590     -0.298246     -0.038247
     11.31394     14.41730      3.72219        -0.219835     -0.040032      0.177427
     11.71692     15.72297      3.42957        -0.002856     -0.042534     -0.059129
     10.70868     15.16001      5.89690         0.132481     -0.081799     -0.102484
     11.04984     16.48708      5.56365        -0.044154      0.197018     -0.091342
     11.59122     16.85741      4.25777        -0.154675     -0.082786     -0.068507
     12.02703     18.25011      3.72098         0.104295      0.183881     -0.062512
     12.56132     18.66172      2.42450        -0.149873      0.023788      0.234072
     12.81770     20.00956      2.11740         0.012896      0.420806      0.135056
     11.91929     19.35854      4.58094        -0.063887      0.054213      0.143038
     12.16528     20.70012      4.28874         0.174290      0.046780     -0.169732
     12.59787     21.06996      3.01137        -0.041265      0.136511      0.139556
     12.93277     17.80428      1.23141         0.060047     -0.386415     -0.072740
     10.79207     17.40963      6.74941         0.234610      0.283624     -0.200050
     10.32788      7.11271     14.62411        -0.098046     -0.377282      0.069973
     10.19612      7.53628     15.93999         0.073146     -0.296614      0.311278
     10.20678      8.89783     16.27354         0.128522      0.462240      0.295460
     10.33696      8.05408     13.60509        -0.007933      0.326171      0.004207
     10.29804      9.42004     13.95250         0.043241     -0.230667     -0.440110
     10.29670      9.91763     15.27245         0.091531     -0.333639      0.158513
     10.36723      5.61474     14.60534         0.800848     -1.284634     -1.632211
     10.00207      6.28652     16.77996        -0.106492     -0.201518      1.775380
     10.39297     11.42435     15.53361        -0.003810     -0.147087      0.157312
     10.36726     12.01360     16.82682         0.031109     -0.125361      0.319097
     10.54756     13.39743     16.99937         0.033553     -0.039815      0.292764
     10.53836     12.33958     14.45989        -0.029726      0.101466     -0.051985
     10.68121     13.72360     14.62398         0.006499     -0.129704     -0.115254
     10.71102     14.23753     15.91118         0.021488      0.205126      0.116295
     10.83858     15.64400     16.37552         0.178313      1.151991     -0.573492
     10.56944     14.26465     18.23852         0.019493      0.094688      0.437121
     10.68653     16.84184     18.65661        -0.082929     -0.068408     -0.112349
     10.18169     16.77100     19.95740        -0.005267      0.062898     -0.262290
      9.97499     17.92753     20.71475        -0.060930      0.031849      0.201005
     11.02887     18.14356     18.23132         0.065384     -0.188270      0.059759
     10.92888     19.28018     19.06959         0.084200     -0.023833     -0.060585
     10.37946     19.24680     20.41385         0.053904     -0.340113     -0.228727
     10.19151     20.37312      0.19321        -0.069481      0.411458      0.100219
      9.62404     20.29555      1.53141        -0.290340      0.200636      0.106175
      9.43495      0.18270      2.33520         0.051151      0.254721     -0.009517
     10.56446      0.46483     21.16698        -0.182661     -0.198113      0.005542
     10.22983      1.61777      0.63360        -0.014711     -0.246262      0.137261
      9.67693      1.49961      1.91067         0.036947      0.202134      0.261873
      9.01823     19.10778      2.27035        -0.314548     -0.229056     -0.409723
     11.47964     20.51017     18.39372         0.408857      0.133941     -0.236647
      7.10794      7.65744     17.49488         0.069177     -0.297327     -0.174622
      7.13306      8.60011     16.47753         0.072084     -0.044812     -0.084060
      7.22521      9.96511     16.77600        -0.126541      0.114419     -0.320780
      7.19808      8.03942     18.82086         0.197081     -0.004746      0.117368
      7.22803      9.40287     19.11475         0.110971     -0.191291      0.001210
      7.22899     10.40901     18.12208         0.149261     -0.013103     -0.207943
      6.84054      6.31327     16.92429        -0.121883     -0.945445      0.213815
      7.02127      7.85192     15.17699         0.026976     -0.061787     -0.484452
      7.24070     11.86311     18.51073         0.092821      0.060455     -0.125805
      7.36245     12.93980     17.59340        -0.135191      0.089632     -0.204727
      7.31496     14.26282     18.04565        -0.050810      0.013127     -0.246825
      7.15477     12.22068     19.86851         0.052634      0.213270      0.207717
      7.16417     13.54048     20.32899         0.134173     -0.164322     -0.088997
      7.20346     14.56017     19.39660         0.003026      0.263432     -0.034451
      7.18380     16.03022     19.57780        -0.000523      0.805583      1.018053
      7.42125     15.56485     17.30548         0.066507      0.168041     -0.080639
      7.58638     18.03929     18.03730        -0.133044     -0.306305      0.052212
      8.29383     18.43056     16.89846        -0.156603      0.010873      0.099387
      8.62022     19.76982     16.69308        -0.005981     -0.156512     -0.025237
      7.22200     19.07188     18.92468         0.215740     -0.037983     -0.313762
      7.43653     20.43696     18.61721         0.074340      0.109685     -0.247711
      8.18275     20.87144     17.44014         0.000273     -0.016407     -0.000988
      8.65080      1.00630     16.94345         0.171735      0.194119     -0.057724
      9.21523      1.36184     15.64221         0.422386     -0.118347     -0.014089
      9.62030      2.68258     15.33888         0.288020      0.140774      0.082450
      8.64050      2.12147     17.81299         0.169399      0.304500     -0.287110
      9.11274      3.41807     17.52128        -0.060333      0.004310     -0.027578
      9.60853      3.75798     16.24851        -0.059848     -0.076656      0.224839
      9.64689      0.45370     14.43829         0.085370      1.010417      0.678162
      6.84244      0.08843     19.66707         0.254499      0.376843      0.011733
      6.96001     10.88114      6.11498        -0.024363     -0.312566      0.031717
      6.80859     11.32808      7.41966        -0.005788     -0.114381      0.142673
      6.90252     12.68887      7.73528        -0.042129     -0.063505      0.216305
      7.26571     11.76505      5.09478        -0.050866      0.115413      0.031823
      7.37446     13.12066      5.42107        -0.068717     -0.155895     -0.202384
      7.16901     13.64195      6.71945        -0.063483     -0.038449      0.074466
      6.92778      9.39609      6.08885         0.048996     -0.321186     -0.451921
      6.69187     10.10558      8.29197         0.045646     -0.093809      0.374424
      7.26776     15.12936      6.95437        -0.064254     -0.114077      0.117792
      7.08568     15.76692      8.20405        -0.013489     -0.085692      0.313232
      7.21324     17.15869      8.31645         0.059803      0.214829      0.194117
      7.59023     15.97723      5.87597        -0.116680      0.258178     -0.173625
      7.62079     17.36601      5.96044        -0.096045      0.047322     -0.018177
      7.42996     17.95682      7.20249         0.026229      0.384945      0.319693
      7.65602     19.37937      7.63721        -0.006196      0.387167     -0.207344
      7.32315     18.04521      9.52885         0.026346     -0.109672      0.934793
      7.62795     20.58866      9.94555        -0.071735     -0.216782     -0.159013
      7.15428     20.56053     11.26285         0.039170      0.217037     -0.072779
      7.02394      0.47480     12.02968         0.045761     -0.229406      0.045665
      8.05477      0.60489      9.53727         0.011699     -0.148377     -0.087154
      8.09327      1.73288     10.39933         0.113523     -0.082789      0.168854
      7.53550      1.76399     11.73592         0.187524     -0.261708     -0.233799
      7.45479      2.93251     12.77035         0.111183      0.410065     -0.098248
      6.90353      2.86547     14.10354        -0.330407     -0.184053      0.523120
      6.75210      4.00488     14.92443        -0.151168      0.206971      0.141999
      7.90734      4.27924     12.51245         0.017596     -0.244653     -0.271151
      7.67392      5.42685     13.29163         0.013391     -0.061159      0.293485
      7.08742      5.31377     14.55910         0.020482      0.399482      0.082186
      6.22970      1.66600     14.81921         0.589962      0.004308     -0.524565
      8.86689      2.85915      9.78949         0.422846      0.260964     -0.077355
      4.09937     11.49910     10.73413         0.111360     -0.180535     -0.145976
      3.83603     12.36776      9.68633         0.090102     -0.115145     -0.170838
      3.87889     13.74729      9.85771         0.012757      0.007327     -0.462113
      4.43264     11.99922     11.97979         0.152181      0.004383      0.071698
      4.47632     13.38830     12.15078         0.144314     -0.201139      0.040491
      4.21192     14.30530     11.10914         0.076635      0.068688     -0.231246
      3.85115     10.10428     10.29600         0.013914     -0.574311      0.213247
      3.43825     11.54741      8.50525        -0.118575      0.296350     -0.660205
      4.28925     15.79157     11.31204         0.046137      0.132999     -0.022579
      4.06366     16.74406     10.28120        -0.047549      0.089249     -0.223267
      4.12279     18.11897     10.54992         0.066991      0.186835     -0.012415
      4.66534     16.30225     12.57033         0.160796      0.219180      0.000934
      4.77375     17.66923     12.83835         0.058837     -0.124704     -0.106634
      4.42209     18.56738     11.83747        -0.086454      0.215552     -0.301015
      4.31658     20.05373     11.87599         0.043569     -1.116420     -1.417221
      4.09318     19.34596      9.63520         0.123483     -0.105382      2.195087
      4.40019      0.65691     10.12331        -0.171233     -0.492563      0.063532
      4.78601      0.97118      8.82111         0.110341      0.295340      0.142970
      5.20756      2.27170      8.49538         0.023929     -0.241112      0.006624
      4.31046      1.76976     10.97963         0.065333     -0.133960      0.006260
      4.71544      3.09104     10.63435         0.120490      0.233580      0.098856
      5.31157      3.40831      9.33727         0.083373     -0.171464      0.140975
      5.94109      4.76593      8.77933         0.081005      0.154133     -0.062811
      6.46946      5.07434      7.46073        -0.137345     -0.066606      0.252736
      6.76168      6.39966      7.03097        -0.036370      0.338302      0.184288
      5.90586      5.94259      9.54974        -0.017326     -0.217223      0.115348
      6.19272      7.24640      9.15397         0.162280      0.241995      0.074528
      6.57957      7.54188      7.84676         0.078573      0.049955     -0.045856
      6.58488      4.04325      6.36302        -0.167005     -0.272712      0.031679
      4.40713      4.01487     11.83326         0.003276     -0.102334      0.122430
      1.03787     14.28618      0.83796        -0.066360     -0.399235      0.098077
      1.62898     14.70948      2.02406        -0.049619     -0.310367     -0.188387
      1.63516     16.08384      2.33435         0.115444      0.256590      0.366154
      0.61133     15.18393     21.13848        -0.230710      0.072419     -0.235429
      0.67451     16.53998      0.17612         0.024705     -0.272828     -0.123823
      1.10780     17.04821      1.42093        -0.163749     -0.262998     -0.214377
      0.98163     12.80580      0.78251         0.173082      0.024014      0.344118
      2.23969     13.44849      2.63168         0.879721     -0.301868      1.150262
      0.98000     18.54352      1.61158         0.003468     -0.015540      0.236283
      1.32873     19.25219      2.78525         0.113417      0.028229      0.169033
      1.16316     20.64298      2.83498         0.118584     -0.041268      0.142077
      0.48819     19.33135      0.54176        -0.104674      0.392191     -0.263195
      0.30412     20.71544      0.58625         0.117846     -0.166215      0.210816
      0.63066      0.09529      1.77324        -0.100195      0.179246     -0.304193
      0.60815      1.54337      2.08059        -0.309961      0.436201     -0.493590
      1.59435      0.38731      3.85764         0.392787     -0.169662      0.548038
      1.39740      2.94824      4.05590         0.019033     -0.086161     -0.006911
      1.96557      2.95186      5.32607        -0.154693      0.251800     -0.416727
      2.09606      4.13582      6.03552         0.182279      0.030710      0.268585
      0.96631      4.21137      3.60878        -0.078853     -0.231397     -0.041708
      1.11174      5.39690      4.36930        -0.169636     -0.119509     -0.131570
      1.76674      5.46366      5.65197        -0.231377     -0.239545     -0.563844
      2.10592      6.70811      6.48627         0.103540      0.290412      0.378721
      2.57182      6.66854      7.83667         0.231498     -0.072228      0.008358
      3.07495      7.75869      8.56909        -0.039607      0.140563      0.085962
      2.07338      8.07431      6.06190         0.033838     -0.169024      0.010560
      2.54260      9.18609      6.78143         0.041248      0.035524     -0.078593
      3.08269      9.06065      8.07087        -0.048922      0.110205      0.206836
      2.84994      5.40271      8.57302        -0.554424      0.149329     -0.247245
      0.40642      6.54936      3.71166        -0.477979      0.185718     -0.049373
      4.69314     14.10395      0.69107         0.002938     -0.497121     -0.054336
      4.05751     15.00219     -0.15346        -0.082964     -0.100903     -0.133492
      4.05619     16.38575      0.14837        -0.053930      0.109430     -0.160376
      5.38654     14.55097      1.80222        -0.062049      0.248697      0.198075
      5.39468     15.92264      2.07852        -0.091469     -0.271121      0.066000
      4.71523     16.90044      1.30918        -0.030623     -0.132142      0.033716
      4.53895     12.70103      0.19484         0.074868     -0.577631      0.098448
      3.48519     14.15480     19.97340        -0.537428      0.227148     -0.992110
      4.75600     18.36188      1.78932         0.004049      0.131013     -0.010908
      4.12700     19.47704      1.16373        -0.071789      0.004882     -0.251355
      4.29267     20.78926      1.65670        -0.077578      0.072885     -0.175776
      5.50802     18.69097      2.94910        -0.031263      0.213721      0.102560
      5.69033     19.99046      3.44486        -0.115750     -0.222293     -0.013294
      5.07165     21.03424      2.77729        -0.042530      0.411751      0.008043
      5.13248      1.24509      3.04800         0.293719      0.247674      0.306914
      3.80646      0.87968      1.16381        -0.266682      0.195184     -0.490370
      3.99265      3.34045      2.03607        -0.002946      0.035186      0.021028
      3.07027      3.92231      1.14895         0.278383      0.203533      0.058802
      2.78099      5.30690      1.13768         0.035651      0.035847     -0.213373
      4.48624      4.27264      2.96601         0.076384     -0.032742      0.204445
      4.20320      5.66260      2.89070         0.405766      0.250503      0.054896
      3.40603      6.34415      1.91739         0.030124     -0.127524     -0.131171
      3.16291      7.96427      1.82094        -0.117937     -0.031248     -0.066100
      2.17783      8.56639      0.96121         0.063346      0.032816      0.199107
      1.82597      9.92970      0.96898        -0.529766      0.078998     -0.130647
      3.74596      9.02112      2.62447        -0.304987      0.455003     -0.221139
      3.28581     10.37483      2.73499         0.129734     -0.577950     -0.792986
      2.29193     10.88769      1.88140         0.217089      0.024886      0.032528
      1.32010      7.77215      0.02102        -0.069487     -0.495728     -0.130403
      4.88586      6.44470      3.95902         0.115709     -0.140268      0.240669
     18.14646     17.33489     13.55122        -0.087159     -0.203044      0.186491
     19.17132     17.81311     14.35275         0.173304     -0.051172      0.200676
     19.43629     19.18009     14.45407         0.171898      0.054347      0.314335
     17.37800     18.21597     12.80672        -0.015415      0.117193     -0.022919
     17.63166     19.58782     12.92931        -0.120596     -0.152888     -0.058407
     18.63617     20.12638     13.76224         0.081972      0.023232      0.305180
     18.08745     15.85664     13.67093        -0.909416     -1.117817     -0.596536
     19.84952     16.62746     14.98738        -0.388784     -0.093333     -0.333976
     18.75974      0.35938     13.98727         0.098873     -0.073865      0.233295
     19.74736      0.94626     14.82346         0.132675     -0.051183      0.221318
     19.69382      2.30929     15.13700         0.098567      0.096957      0.243937
     17.79926      1.24910     13.46538        -0.105065      0.220663     -0.145265
     17.78506      2.62597     13.71401        -0.060511      0.013429     -0.040681
     18.74094      3.14917     14.56920         0.191329      0.318580      0.317405
     18.95762      4.54695     15.06728        -0.406479      0.810671     -0.246347
     20.48698      3.12908     16.13024        -0.030782      0.117796      0.044859
     20.65379      5.66696     16.64022        -0.388074     -0.136946     -0.041126
      0.70597      5.62535     17.13359        -0.640233     -0.272832     -0.235091
      1.34230      6.79537     17.53340         0.830667     -0.100021      0.347088
     20.00895      6.91816     16.75103         0.664626     -0.222696      0.182723
     20.63523      8.03697     17.36569        -0.393319      0.212977      0.189793
      0.77372      8.05842     17.76878        -0.276794      0.138185      0.020539
      1.65572      9.20139     18.40061        -0.294688     -0.045178      0.122967
      2.97694      9.09200     18.97866        -0.036578      0.598833     -0.182082
      3.64734     10.23261     19.54082         0.336104      0.342427      0.582993
      1.13993     10.51137     18.59333        -0.164058     -0.125717     -0.183832
      1.81647     11.62081     19.10745         0.376565      0.200123      0.198898
      3.11815     11.54715     19.62603        -0.452533     -0.344107     -0.266496
      4.01450      7.96948     18.87459         0.333091      0.009442     -0.266738
     19.60940      9.14323     17.60614        -0.268642      0.191148     -0.134516
      1.99674     18.17643     14.11291         0.009049      0.141890     -0.109345
      1.27355     19.11877     13.39674        -0.197270      0.151614     -0.051592
      1.36603     20.47798     13.71189        -0.401809      0.065031     -0.306987
      2.92164     18.59304     15.06269         0.030173     -0.003523      0.100783
      3.08201     19.96178     15.30101        -0.210305     -0.246594      0.247466
      2.24949     20.93801     14.71526        -0.148044      0.354448     -0.305990
      1.68588     16.83341     13.59745         0.296295     -1.407884      0.577813
      0.47574     18.38966     12.35276        -0.400614      0.243158     -0.283900
      2.39610      1.14850     15.01896        -0.173373      0.185759     -0.234649
      1.75635      2.16475     14.25675        -0.285430     -0.130565     -0.135168
      2.02143      3.51199     14.49525        -0.144220      0.099708     -0.020087
      3.25557      1.60213     16.03252        -0.094943      0.199485      0.285294
      3.59664      2.95143     16.22432        -0.253889     -0.057034      0.135362
      2.98968      3.89918     15.41946        -0.197335      0.353607     -0.226076
      3.17465      5.37811     15.30009        -0.012611      0.116569      0.236405
      1.40152      4.75063     13.91616         0.158594      0.226450      0.145514
      1.65354      7.27735     14.49074        -0.065867     -0.388009     -0.288107
      0.36147      7.54340     14.02729         0.157109      0.161433      0.045271
     21.06756      8.81995     14.12619        -0.125451      0.084139      0.025235
      2.35371      8.39557     14.99072         0.009661     -0.209711      0.053884
      1.79162      9.69920     15.04749         0.092380      0.078198      0.024363
      0.42552      9.99525     14.61050         0.143123      0.004085     -0.110067
     20.89533     11.34653     14.57681        -0.176715      0.187864      0.146848
     19.52662     11.65002     14.14534         0.070228      0.088599      0.005566
     19.00492     12.95909     14.13378         0.046183      0.357063      0.073343
      0.28293     12.54500     14.95243         0.068802     -0.113205      0.068457
     -0.25591     13.83282     15.04064        -0.121641     -0.012540      0.042291
     19.69977     14.08522     14.60730        -0.039046      0.201922     -0.093047
     18.47475     10.70689     13.59589        -0.080702     -0.503205     -0.140457
      2.83591     10.68734     15.57257        -0.280436      0.293010     -0.083662
     16.09334      0.42598      5.22798         0.086494     -0.219508     -0.112434
     16.87292      0.86643      6.28721         0.148011     -0.055637      0.076070
     16.95587      2.22963      6.60326         0.065883      0.037281      0.215972
     15.32578      1.31857      4.51099         0.135101      0.085356      0.014670
     15.39291      2.67236      4.84564        -0.019018     -0.209928     -0.225929
     16.21961      3.19006      5.85509         0.051936     -0.066279      0.137098
     16.35479     20.25022      4.95317        -0.105682     -0.607061     -0.561886
     17.57302     20.91501      6.83348         0.238540     -0.287023      0.497167
     16.26722      4.68486      6.06927        -0.000696     -0.058505      0.151885
     17.08176      5.31217      7.03696         0.120207     -0.108507      0.367618
     17.02016      6.69581      7.23942        -0.032167      0.100706      0.245580
     15.43690      5.54961      5.32065        -0.092171      0.255151     -0.018093
     15.41579      6.93828      5.48010         0.040196     -0.048453      0.029387
     16.22848      7.51132      6.44344         0.073970      0.199621      0.174456
     16.41414      8.93808      6.84707        -0.176262      0.482092     -0.341217
     17.60096      7.56316      8.31691         0.167031     -0.103866      0.695421
     17.75217     10.12480      8.68472         0.116349     -0.248348     -0.010506
     18.81289     10.01256      9.58647        -0.157436      0.101310     -0.101141
     19.41329     11.14620     10.13713         0.017264      0.091035      0.223532
     17.31763     11.44506      8.45456        -0.051884     -0.297529     -0.064268
     17.84625     12.56688      9.13386        -0.024413      0.052972      0.112596
     18.97688     12.48668     10.04255        -0.237148     -0.380995     -0.100203
     19.73414     13.57945     10.81985         0.159777      0.108027      0.052861
     21.00889     13.45077     11.51207         0.304125      0.235555      0.167247
      0.41208     14.57780     12.03534         0.062778      0.231807      0.251646
     19.25661     14.92030     10.88965         0.025447     -0.258184     -0.163878
     19.95637     16.04434     11.34502         0.233636     -0.064873      0.199939
     21.19906     15.89378     11.96212         0.264534     -0.142951      0.113387
      0.72771     12.27152     11.66624        -0.305251     -0.008468     -0.403730
     17.06958     13.81735      8.79601        -0.255594      0.251299      0.094112
     20.40574      1.32175      6.09647        -0.058187      0.122938      0.407929
     19.83386      2.37656      5.38978        -0.143692     -0.085363     -0.129671
     19.84356      3.67975      5.85873        -0.252710      0.079993     -0.397651
     20.91476      1.56446      7.37097        -0.057206      0.056218      0.134990
     20.88093      2.88117      7.86495         0.013192     -0.310610      0.064338
     20.38829      3.98207      7.12350        -0.170658     -0.009877      0.009845
     20.21763      0.06842      5.31988         0.402874     -0.638979      0.193024
     19.14514      1.80966      4.18667        -0.328438      0.609756     -0.291430
     20.45712      5.40141      7.59832        -0.113330     -0.090678      0.212472
     20.07848      6.44746      6.74637        -0.246219      0.141791     -0.134654
     20.34630      7.77245      7.06731        -0.054131      0.127098      0.186669
     -0.30687      5.77523      8.86335        -0.010170      0.154186      0.133392
      0.06663      7.09306      9.16721        -0.222376     -0.040386     -0.165260
     21.03855      8.08538      8.23194        -0.183791      0.070993     -0.144318
      0.07477      9.53303      8.21242         0.303047      0.627398      0.608534
     20.03315      9.04289      6.33455         0.346997      0.020310      0.822926
     20.44417     11.52727      6.84204        -0.051390     -0.336098     -0.012260
     19.54345     11.92837      5.84801         0.218300     -0.099453      0.211243
     19.22004     13.26726      5.64998        -0.066297     -0.017673     -0.100524
     21.01786     12.57950      7.57455        -0.055735     -0.029001     -0.122245
     20.73725     13.93809      7.30291         0.111596      0.038440     -0.036434
     19.76626     14.38565      6.32073         0.182293     -0.096874      0.072008
     19.25779     15.81371      6.03014        -0.043229      0.339611     -0.076678
     18.41452     16.25803      4.93787         0.162981      0.053815      0.085086
     17.89634     17.57053      4.86643        -0.032825      0.317181      0.050821
     19.51973     16.90155      6.91398         0.076080     -0.101882      0.060057
     18.92065     18.16398      6.90854        -0.042269     -0.066560     -0.106831
     18.03397     18.52688      5.89005        -0.005430      0.182294      0.066930
     17.83961     15.37961      3.84329         0.135465     -0.156472     -0.190175
      0.39210     14.84878      8.08498         0.102395      0.237105     -0.131471
     12.62851      5.23775      4.06205        -0.012552      0.017033      0.132202
     13.06008      3.74633     20.57974         0.132042      0.072800     -0.075730
     12.92127      6.12661     21.11688         0.036906      0.243358     -0.302975
     12.71765      7.45891      4.41002         0.062459     -0.108238     -0.030143
     13.18073      7.90621      0.14182         0.056036     -0.131382     -0.424775
     13.52168     10.31056      0.40298         0.060007      0.028540     -0.120050
     13.17269     13.51597      8.55790         0.080288     -0.079409      0.078151
     13.19888     11.63645      7.08934        -0.092631     -0.142542      0.384838
     14.32550     14.16981      3.85623        -0.089158     -0.042948      0.145660
     12.94492     17.17052     11.43408        -0.011740     -0.141046      0.067083
     14.90676     17.61803      7.01674         0.100854     -0.174160      0.063571
     14.81171     19.52836      8.44101         0.101256     -0.365306     -0.069597
     10.01430      6.87137      3.26814        -0.156976      0.084695     -0.157344
      9.65520      3.50389      6.88908         0.142548     -0.021397      0.113719
      9.72297      5.87234      7.46345         0.183215      0.099639      0.220849
     10.20956      8.82148      3.79012        -0.044007     -0.019251     -0.109579
      9.76536      7.71439      7.94193         0.019987     -0.172374      0.153419
      9.91333     10.06975      8.61357         0.018557     -0.019160      0.032763
     12.21759     15.82467      2.48231        -0.067552      0.008006     -0.149943
     11.41982     13.62657      2.98279         0.150819      0.198958     -0.114099
     10.41534     14.93572      6.91964        -0.099929      0.040157     -0.155984
     13.16816     20.25226      1.11905         0.061685     -0.001731      0.133365
     11.60657     19.19408      5.59485         0.031706      0.100769      0.001141
     12.02594      0.20021      5.05265        -0.114671     -0.113871      0.102687
     10.11525      9.19290     17.31611         0.045332     -0.090499      0.219506
     10.30153      7.75206     12.55564         0.162772      0.042312      0.052087
     10.24215     10.11487     13.12235         0.074915      0.144186     -0.169795
     10.16003     11.40160     17.70240         0.161373     -0.089160      0.151352
     10.52166     11.98427     13.43798         0.058442     -0.148531     -0.241507
     10.75908     14.38834     13.76423         0.053466     -0.036051     -0.096932
      9.47051     17.75045      0.38494        -0.060250     -0.131965      0.157477
      9.95334     15.79227     20.36757        -0.221616      0.063310      0.206635
     11.35343     18.29083     17.20166         0.097608     -0.050900      0.206349
      9.12217      0.05554      3.36535        -0.163713      0.008889     -0.107105
     11.18214      0.67159     20.31383        -0.051797     -0.016866     -0.212706
     10.42077      2.61196      0.23703         0.228493     -0.066956     -0.181787
      7.29382     10.68913     15.96572        -0.159971      0.013022     -0.130968
      7.14257      7.29228     19.61332         0.165169      0.057647     -0.022662
      7.18606      9.66395     20.16482         0.159767      0.115869      0.202280
      7.50960     12.75697     16.53408        -0.095352     -0.035513     -0.235414
      7.03249     11.46280     20.62762         0.106825     -0.239862      0.162170
      7.12954     13.75476      0.13314         0.078853     -0.012567      0.044462
      9.32378     19.94997     15.90406         0.074194     -0.152651     -0.118310
      8.63429     17.67956     16.19506         0.160125      0.054248     -0.126974
      6.84939     18.81539     19.91253        -0.303579     -0.012701     -0.174847
      9.93618      2.84041     14.31378         0.237975      0.276828      0.131968
      8.28216      1.98437     18.82190        -0.058773      0.058397      0.105669
      9.06357      4.19259     18.28362        -0.055944     -0.138671      0.136089
      6.81069     12.99577      8.77284        -0.044241      0.057454      0.179478
      7.48480     11.39796      4.08958        -0.117081      0.088011     -0.018975
      7.69706     13.77217      4.61821        -0.109516      0.196849     -0.152662
      6.89287     15.18614      9.10189        -0.009919     -0.102071      0.166436
      7.90682     15.55545      4.93295        -0.139024     -0.126359     -0.313121
      7.91263     17.96103      5.09825        -0.073908      0.016242     -0.010299
      6.44640      0.31451     12.92211         0.166196     -0.000862      0.072538
      6.84442     19.60019     11.66255        -0.118438      0.069792      0.278238
      8.34338      0.74821      8.50087         0.214424     -0.080509      0.046410
      6.33695      3.90521     15.91846        -0.006074     -0.187727      0.003062
      8.48758      4.50848     11.62466        -0.216729     -0.215486      0.064974
      7.92865      6.42973     12.93627         0.200056     -0.303992     -0.210826
      3.59295     14.37363      9.01902         0.114919      0.114900     -0.131085
      4.59509     11.31872     12.81429         0.132227      0.103109     -0.072636
      4.69056     13.74424     13.15034         0.095664      0.116887      0.206661
      3.86442     16.41457      9.26646        -0.100820     -0.030012     -0.211971
      4.87184     15.61589     13.38177         0.165533     -0.070883      0.137887
      5.15872     18.00578     13.80135        -0.125336      0.045167     -0.027919
      5.48267      2.34610      7.46364         0.100150      0.004381     -0.070201
      4.80492      0.18071      8.07837         0.061923      0.127995     -0.295314
      3.99970      1.60195     12.00565        -0.141672     -0.030634     -0.154107
      7.07017      6.56819      6.00339         0.068944     -0.174024      0.124943
      5.51609      5.87447     10.53850         0.094217      0.108209      0.292281
      6.09133      8.06130      9.86943        -0.114461     -0.210263      0.109164
      2.07111     16.43961      3.26558         0.048411     -0.109313      0.212694
      0.28616     14.84324     20.15231        -0.127484      0.023369      0.117310
      0.40205     17.21587     20.63574        -0.178023      0.010043     -0.091325
      1.77095     18.74663      3.63768         0.019746     -0.115707      0.217322
      0.26368     18.88415     20.84495        -0.119822     -0.168192     -0.196694
     -0.01305      0.02949     20.97226        -0.102552     -0.094775      0.019510
      2.48486      3.91005      6.99687         0.111995      0.056487      0.000813
      2.29093      2.01412      5.75305         0.110286     -0.009307      0.318560
      0.47240      4.27591      2.64390        -0.027331     -0.037889      0.127534
      3.44818      7.59028      9.57733        -0.181278      0.140807     -0.238161
      1.66747      8.33747      5.10327        -0.036497     -0.038956     -0.358537
      2.46142     10.19204      6.37119        -0.067154     -0.156705     -0.281522
      3.52593     17.06965     20.75181        -0.070161      0.093549     -0.219309
      5.88504     13.83784      2.46143         0.028892      0.069542      0.028196
      5.94479     16.21315      2.96179         0.102215      0.118478      0.217929
      3.50622     19.32293      0.28622        -0.049835      0.039523     -0.236734
      6.05190     17.92242      3.47804         0.012085     -0.228782      0.147674
      6.33675     20.18421      4.30401        -0.090556     -0.068969      0.028628
      1.93876      5.50021      0.49861         0.185990      0.144734     -0.241929
      2.53319      3.26633      0.47733        -0.247836      0.109227     -0.274599
      5.04333      3.90728      3.83115         0.069689      0.181062     -0.350219
      1.10430     10.23951      0.22329        -0.111436      0.015658      0.090746
      4.60498      8.88196      3.26071         0.155821     -0.278086     -0.150899
      3.79725     11.07148      3.38313         0.285286     -0.057690      0.396398
     20.27171     19.49558     15.07690        -0.051443      0.078251      0.158970
     16.60989     17.84386     12.13147        -0.160623      0.027145     -0.020657
     16.99198     20.24580     12.35645        -0.100980      0.221291     -0.185062
     20.56504      0.35331     15.23057        -0.067069     -0.104341      0.199563
     17.00617      0.87704     12.83533        -0.264929     -0.207885     -0.220512
     17.02172      3.26883     13.27533        -0.037766     -0.016863     -0.049139
      2.41328      6.66574     17.67127        -0.527680      0.073568      0.073321
      1.21722      4.66359     17.16691         0.205049      0.189975     -0.030014
     19.01830      7.05806     16.33709        -0.107404     -0.138230      0.134586
      4.61306     10.04021     20.01952        -0.251765      0.185389     -0.269424
      0.11221     10.71141     18.32310         0.071397      0.051818     -0.116121
      1.33791     12.59056     19.13294        -0.429905      0.027573     -0.154760
      0.75418     21.18901     13.15574        -0.027819     -0.031216     -0.066432
      3.55015     17.86022     15.56606         0.030834     -0.011280      0.106345
      3.90987     20.26310     15.93069         0.063656      0.087865      0.307135
      1.04079      1.90474     13.47993        -0.061645      0.021190     -0.130768
      3.76536      0.87775     16.65262         0.041907     -0.168596      0.269329
      4.34482      3.23113     16.96488        -0.144961      0.036098      0.080061
     20.04302      8.86733     13.80910        -0.243062      0.036553     -0.114755
     21.04347      6.72468     13.61096        -0.262763      0.139168     -0.033243
      3.34804      8.22991     15.42006        -0.280441      0.120103     -0.296076
     18.04018     13.13111     13.66157         0.036671     -0.059741      0.278766
      1.34011     12.50903     15.12803         0.113446      0.073584      0.215510
      0.36305     14.65304     15.39045         0.190335     -0.110892     -0.013769
     17.63309      2.55090      7.38812         0.047426     -0.004672      0.259177
     14.71945      0.95503      3.69037         0.070134      0.051065     -0.073286
     14.78538      3.34501      4.26003        -0.003517      0.189722     -0.134495
     17.78202      4.72306      7.62370        -0.077385     -0.047675      0.253962
     14.75103      5.15233      4.58683        -0.072649     -0.174606     -0.194623
     14.74059      7.56496      4.90514         0.106405     -0.073939     -0.133573
     20.30243     10.93762     10.70378        -0.170560     -0.080221      0.045110
     19.17781      9.01869      9.82803         0.183486      0.096483      0.168899
     16.56759     11.60683      7.68618        -0.103422      0.022057      0.185224
      1.35188     14.42862     12.56033        -0.160955      0.059253     -0.159424
     18.26395     15.13557     10.53215        -0.174251     -0.010070     -0.139749
     19.58703     17.04844     11.18422        -0.442320      0.084352     -0.006735
     19.39455      4.43433      5.21252        -0.015284      0.056361      0.076659
      0.02438      0.73763      7.98886         0.042056      0.184503     -0.079003
      0.02297      3.04359      8.85925         0.004786      0.025782      0.171920
     19.62210      6.23069      5.79716        -0.277185     -0.061869     -0.092698
     -0.12658      5.01085      9.60627        -0.008326     -0.076103      0.233765
      0.61455      7.31464     10.08102        -0.176203      0.066098      0.181907
     18.44658     13.39175      4.91951        -0.126292      0.120048     -0.122050
     19.07326     11.14783      5.26649        -0.264394      0.164968     -0.291528
      0.43090     12.34816      8.39259         0.089862     -0.007766     -0.202630
     17.23367     17.81782      4.04523         0.098742     -0.037330     -0.096048
     20.22333     16.77915      7.71865        -0.102378     -0.068108      0.007088
     19.14306     18.88516      7.69024         0.157012     -0.161198      0.121413
     13.91445     19.29230     10.77927        -0.064247      0.022521     -0.042190
     18.99552     21.01093      3.57508         0.349260      0.384743      0.196638
     12.76719      1.20470      2.64002         0.007888      0.020565      0.220454
     13.64748     11.58176      4.45248        -0.065211     -0.200638      0.380621
      9.52874      2.62875      2.81269         0.137499     -0.165993     -0.180502
     10.47925     12.73303      5.35126         0.108444     -0.151077     -0.351552
      9.98265      5.13309     15.89732         0.031923      0.416468      0.111754
     10.72658     15.66246     17.79992         0.004015     -0.614877      0.086305
      6.94265      6.43599     15.48531         0.237327     -0.171149      0.173093
      7.34062     16.62829     18.29819         0.131448     -0.059092     -0.305680
      6.71641      8.93978      7.41655        -0.065009     -0.202980      0.364297
      7.58644     19.39962      9.07586        -0.205061      0.080481      0.257022
      3.49975     10.16860      8.88993         0.043129     -0.183020     -0.018012
      4.17202     20.51682     10.53340         0.029766      0.426015     -0.496782
      1.87782     12.29655      1.79440        -0.279203      0.182918     -0.070022
      1.21179      1.70344      3.35469         0.156495      0.113444      0.304981
      3.71984     12.73508     20.28345         0.088226     -0.020876      0.237066
      4.29175      1.90740      2.08412        -0.060625     -0.144210     -0.075730
     19.18322     15.43926     14.48364         0.367518      0.134816      0.259473
     20.02790      4.50085     16.01166         0.263940      0.022113      0.094758
      0.68511     16.97342     12.57649        -0.062824      0.243581     -0.088576
      2.12068      5.89504     14.49843        -0.563536     -0.124897     -0.329294
     17.33673     19.80975      5.89967         0.221353      0.052329      0.045194
     17.24466      8.94050      8.00001         0.282031      0.101527      0.299006
     19.43598      0.43819      4.20511        -0.155058     -0.271647     -0.133709
     20.68130     10.11371      7.08515        -0.507129      0.166853     -0.410353
     12.40786      2.27553      4.73107        -0.019403      0.100519     -0.234799
     13.53486      1.01957      0.40052        -0.319120      0.474902      0.700824
     13.26496      9.84074      6.03803        -0.101333      0.080188     -0.293667
     13.83340     12.59155      2.30513        -0.087698     -0.975800      0.865578
      9.67645      4.47981      1.33286        -0.027700     -0.144013      0.268675
      9.29353      1.48458      4.88700         0.134326      0.250265     -0.287248
     10.40077     11.71567      3.20515        -0.021084     -0.014906     -0.272139
     10.17210     12.90423      7.69879         0.082970     -0.603067     -0.942401
      9.88154      6.22890     18.01854         0.209826      0.137614     -1.674475
     10.76479      4.90225     13.65962        -0.702161      1.035567      1.368875
     10.47444     13.90166     19.40418         0.087392      0.121568     -0.505399
     10.99658     16.63814     15.65894        -0.094156     -0.657890      0.529589
      6.98612      8.31877     14.04673         0.070225     -0.104352      0.173974
      6.54619      5.29239     17.55265         0.422749      0.794569     -0.589055
      7.57675     15.73130     16.10367        -0.162489     -0.052423      0.181003
      7.06873     16.64843     20.64537         0.095417     -0.509488     -0.917253
      6.64616     10.07847      9.51902         0.117271      0.023610     -0.595202
      7.11254      8.68653      5.10299        -0.119578      0.241281      0.464199
      7.25500     17.70147     10.71212         0.139859      0.209319     -0.965071
      7.89020     20.34460      6.91836        -0.260674     -0.335761      0.377357
      3.10959     11.95754      7.39401         0.200416     -0.142452      0.384846
      3.89964      9.08862     10.98808        -0.040569      0.553031     -0.459181
      4.11303     19.37448      8.43817        -0.170340      0.068220     -1.432076
      4.31807     20.74065     12.86128         0.083765      0.863281      1.031000
      2.97490     13.37456      3.61905        -0.748968      0.010502     -0.862868
      0.25319     12.16354      0.04875        -0.122140     -0.241295     -0.071307
      2.19937      0.16129      4.90206        -0.289686      0.153233     -0.653467
      0.15679      2.43961      1.37150         0.186675     -0.291079      0.356640
      2.95451     14.54623     18.93553         0.300249     -0.273249      0.766582
      5.04365     11.68844      0.68578        -0.312534      0.481144     -0.223002
      3.13500      1.11247      0.16471         0.274924     -0.121561      0.399427
      5.80612      1.78924      3.91431        -0.265655     -0.100562     -0.367544
     -0.47445     16.63809     15.76491         0.214366      0.049877      0.278717
     17.24970     15.10103     13.15896         0.682795      0.765601      0.532394
      0.05925      2.73511     16.93324        -0.140999      0.030945     -0.093517
     18.35160      5.56794     14.72856         0.401585     -0.824818      0.225521
     21.04503     18.87831     11.46132         0.296175     -0.374444      0.408406
      2.19071     15.76839     13.99041        -0.614534      1.012044     -0.444000
      0.45690      4.81494     13.14248         0.216522     -0.048169      0.092430
      4.06624      6.05945     15.77991         0.057183      0.067554      0.131503
     18.18706     20.82461      7.89109        -0.157468      0.072244     -0.474850
     15.86663     19.56902      4.04844         0.376374      0.410851      0.546433
     18.17762      7.18944      9.33567        -0.407229      0.242702     -0.567873
     15.97501      9.93973      6.28697         0.336292     -0.434250      0.214736
     18.42778      2.39217      3.37616         0.337868     -0.361733      0.233080
     20.66436     20.19896      5.53677        -0.443973      0.650910     -0.144343
     19.33293      9.17873      5.35315        -0.263439      0.025461     -0.286106
      0.76089     10.15343      9.02163        -0.591034     -0.354350     -0.393963
     13.94932     17.50207      5.29547        -0.097391      0.183733      0.074477
     15.86852     16.53082      5.61072        -0.246232      0.010217      0.031322
     14.73352     16.21995      3.74508        -0.065468      0.038593      0.488945
     11.97042     15.38657     11.46317        -0.105149     -0.067661      0.006619
     11.42933     14.60361      9.50923         0.015653     -0.034530      0.007778
     13.25750     13.90767     10.54037         0.015438     -0.020107     -0.005784
     11.92028     17.98719      7.26007         0.039486      0.017798     -0.022686
      9.97659     18.46724      6.43450        -0.038195      0.010286     -0.001796
     10.20559     16.78456      7.80813        -0.038485      0.042607      0.029903
     13.15258     18.52865      0.09019         0.165199     -0.139905      0.022606
     14.06815     17.07778      1.43765         0.134847      0.016270     -0.019800
     11.96897     16.89991      0.88014        -0.056091     -0.160079     -0.025084
     10.65404      0.33332     18.46188         0.106560      0.075030     -0.085546
     12.67431     -0.35292     18.94191         0.065053     -0.064281      0.068354
     11.72084     20.34633     17.05255         0.116827     -0.069103      0.309317
      8.74913     19.37194      3.58699        -0.099414     -0.090642     -0.089010
      7.80932     18.76183      1.69078         0.296451      0.093740     -0.108279
      9.72489     17.94605      2.31585         0.148294     -0.117511     -0.099173
      7.80678      0.77341     20.37420        -0.108374      0.039050      0.035403
      6.00397      1.03534     19.14927        -0.047006     -0.000323     -0.171594
      6.12659     20.68870     20.62225        -0.112918     -0.040109     -0.085038
      9.70354      1.15605     13.25540         0.475110     -0.137561      0.262985
     10.90995     21.22773     14.66781         0.072691      0.035855     -0.147213
      8.87182     20.67026     14.16258        -0.382308     -1.063184     -0.519189
      8.19381      4.05122      9.74639         0.204996     -0.010573     -0.210242
     10.04636      3.12435     10.44857        -0.118225     -0.130937      0.139619
      9.22805      2.60770      8.49562         0.177827     -0.070430      0.281625
      6.03885      1.89808     16.14708        -0.044278     -0.029156      0.076758
      5.04473      1.41580     14.23629        -0.442179      0.070372      0.067769
      6.83034      0.43553     14.81184         0.321348      0.090435      0.093101
      5.28738      5.02967     12.07299        -0.343371     -0.093147      0.032257
      3.16096      4.59196     11.82237        -0.052642     -0.197643     -0.146588
      4.39098      3.31078     12.99657         0.159017      0.068890     -0.022063
      7.17836      4.52112      5.23896        -0.034246     -0.251711     -0.046716
      7.28836      2.92338      6.70576         0.185384      0.088939      0.086153
      5.34113      3.56880      5.98421         0.168217     -0.034914      0.013733
     -0.48775      7.23044      4.48533         0.120961     -0.075141     -0.030099
      1.26001      7.53063      3.31638        -0.032167     -0.032771     -0.414393
     -0.34969      6.14759      2.65539        -0.021582      0.053419      0.134240
      3.27647      5.63409      9.81412         0.151992      0.009407      0.393192
      1.85106      4.46229      8.75270         0.142668      0.094117     -0.003382
      3.81667      4.77606      7.87462         0.251398     -0.294442     -0.118001
      6.06272      6.98362      3.48173        -0.360508     -0.057261      0.140058
      4.11837      7.43192      4.49702         0.084794      0.162841      0.040714
      5.17203      5.69944      5.04977        -0.246609      0.250145     -0.409768
      0.44381      8.50913     20.55771        -0.049088      0.003109      0.027125
      2.08246      7.01846     -0.86508        -0.609866      0.444257      0.258382
      0.52552      6.87432      0.66012        -0.154476     -0.025784     -0.062790
     19.42303      9.41148     18.93426         0.161467     -0.095014      0.045048
     19.94290     10.34065     17.01624        -0.122589     -0.041442      0.006091
     18.35533      8.85449     17.11151         0.409462      0.033547      0.271534
      4.87337      8.03113     19.94908        -0.205593     -0.068058     -0.128427
      3.80149      6.62964     18.75963        -0.259362      0.030640      0.413646
      4.67716      8.25670     17.69896         0.094941      0.059544      0.272647
      3.37531     11.43756     14.55021         0.000347     -0.019129     -0.058731
      2.38402     11.60846     16.47490         0.105837     -0.117311     -0.028472
      3.89017     10.09138     16.18761         0.070724      0.097289     -0.228413
     17.36318     11.34155     13.10337         0.071482     -0.254783      0.160327
     18.92127      9.94696     12.53954        -0.057466     -0.081072      0.125790
     18.02117      9.82456     14.53930         0.010974      0.020594      0.005155
     16.26103     14.23171      9.83967         0.232962     -0.149790     -0.050025
     17.84639     14.88867      8.47086         0.115357      0.163430     -0.041730
     16.23478     13.65303      7.73023         0.175903      0.020144      0.040955
      1.72912     12.50743     12.56906        -0.162103     -0.063596     -0.291224
      0.25367     11.04978     12.04149        -0.091076     -0.041265     -0.031803
      1.31952     12.07371     10.45802         0.135614      0.054257      0.083240
      1.14801     15.63557      7.24990        -0.010728      0.053238     -0.030003
     21.01551     15.70116      8.95068         0.229848      0.008968     -0.032135
      1.27082     14.18313      8.88240         0.125215      0.103326     -0.224358
     17.16195     16.07431      2.89270         0.238262     -0.034313     -0.135249
     18.77358     14.64664      3.15805         0.225088      0.051546     -0.026654
     16.93438     14.46262      4.35016         0.039781      0.073795     -0.226849
 -----------------------------------------------------------------------------------
    total drift:                               -0.020843      0.005553     -0.002273


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4563.2817749775 eV

  energy  without entropy=    -4563.4305269816  energy(sigma->0) =    -4563.33135898
 
 d Force = 0.6823488E-01[-0.731E-03, 0.137E+00]  d Energy = 0.6788792E-01 0.347E-03
 d Force = 0.4306849E+03[ 0.430E+03, 0.431E+03]  d Ewald  = 0.4306851E+03-0.186E-03


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   44(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.2518815E+00  (-0.6404848E+02)
 number of electron    2497.9999949 magnetization 
 augmentation part      162.7079793 magnetization 

  free energy =  -0.456302989412E+04  energy without entropy=  -0.456317853150E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   44(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) :-0.1478512E+01  (-0.1740788E+01)
 number of electron    2497.9999948 magnetization 
 augmentation part      162.8396781 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8424
  0.8424

  free energy =  -0.456450840636E+04  energy without entropy=  -0.456465765606E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   44(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3712
 total energy-change (2. order) : 0.4734027E-01  (-0.3259909E-01)
 number of electron    2497.9999948 magnetization 
 augmentation part      162.7601073 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3955
  1.0882  1.7027

  free energy =  -0.456446106609E+04  energy without entropy=  -0.456461011182E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   44(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) :-0.3437277E-02  (-0.2714095E-01)
 number of electron    2497.9999948 magnetization 
 augmentation part      162.6920872 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2718
  2.1597  0.8484  0.8072

  free energy =  -0.456446450337E+04  energy without entropy=  -0.456461387076E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   44(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3640
 total energy-change (2. order) :-0.2780528E-02  (-0.5609776E-02)
 number of electron    2497.9999948 magnetization 
 augmentation part      162.7027457 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3247
  2.3581  1.0185  1.0185  0.9035

  free energy =  -0.456446728390E+04  energy without entropy=  -0.456461662111E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   44(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) : 0.2446173E-02  (-0.3426244E-02)
 number of electron    2497.9999948 magnetization 
 augmentation part      162.7120848 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2847
  2.3737  1.0640  1.0640  0.9610  0.9610

  free energy =  -0.456446483772E+04  energy without entropy=  -0.456461411740E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   44(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3608
 total energy-change (2. order) :-0.1199737E-03  (-0.4946845E-03)
 number of electron    2497.9999948 magnetization 
 augmentation part      162.7203509 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2820
  2.4385  1.0110  1.0110  1.1995  1.1995  0.8322

  free energy =  -0.456446495770E+04  energy without entropy=  -0.456461424815E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   44(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) : 0.5453936E-04  (-0.8993040E-04)
 number of electron    2497.9999948 magnetization 
 augmentation part      162.7212985 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2603
  2.4596  1.0353  1.0353  1.2112  1.2112  0.9347  0.9347

  free energy =  -0.456446490316E+04  energy without entropy=  -0.456461415616E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   44(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) :-0.4638499E-04  (-0.3036704E-04)
 number of electron    2497.9999948 magnetization 
 augmentation part      162.7189679 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2723
  2.5499  1.7196  1.0186  1.0186  1.1683  0.9534  0.9534  0.7965

  free energy =  -0.456446494954E+04  energy without entropy=  -0.456461423357E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   44(  10)  ---------------------------------------



 eigenvalue-minimisations  :  2864
 total energy-change (2. order) :-0.2432964E-04  (-0.3554822E-05)
 number of electron    2497.9999948 magnetization 
 augmentation part      162.7191598 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2672
  2.6238  1.9406  1.0515  1.0515  1.2185  0.8961  0.8961  0.9386  0.7881

  free energy =  -0.456446497387E+04  energy without entropy=  -0.456461423796E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   44(  11)  ---------------------------------------



 eigenvalue-minimisations  :  2600
 total energy-change (2. order) :-0.2383286E-04  (-0.2406089E-05)
 number of electron    2497.9999948 magnetization 
 augmentation part      162.7191585 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2633
  2.6167  1.9717  1.0343  1.0343  1.3637  0.9465  0.9465  1.1097  0.9193  0.6899

  free energy =  -0.456446499771E+04  energy without entropy=  -0.456461427433E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   44(  12)  ---------------------------------------



 eigenvalue-minimisations  :  2248
 total energy-change (2. order) :-0.2265879E-04  (-0.3867990E-06)
 number of electron    2497.9999948 magnetization 
 augmentation part      162.7192334 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3084
  2.6758  2.3778  1.6283  1.0453  1.0453  1.3150  0.9229  0.9229  0.8928  0.8928
  0.6732

  free energy =  -0.456446502037E+04  energy without entropy=  -0.456461428787E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   44(  13)  ---------------------------------------



 eigenvalue-minimisations  :  2240
 total energy-change (2. order) :-0.2385912E-04  (-0.3139829E-06)
 number of electron    2497.9999948 magnetization 
 augmentation part      162.7193501 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3128
  2.9816  2.5304  1.5440  1.4375  1.0481  1.0481  0.9179  0.9179  0.9563  0.9563
  0.7631  0.6519

  free energy =  -0.456446504422E+04  energy without entropy=  -0.456461431889E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   44(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2224
 total energy-change (2. order) :-0.1105803E-04  (-0.2355270E-06)
 number of electron    2497.9999948 magnetization 
 augmentation part      162.7193360 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3331
  3.3799  2.5652  1.4861  1.4861  1.0488  1.0488  1.1497  1.1497  0.9323  0.9323
  0.8572  0.6989  0.5948

  free energy =  -0.456446505528E+04  energy without entropy=  -0.456461432667E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   44(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2208
 total energy-change (2. order) :-0.7948605E-05  (-0.1021581E-06)
 number of electron    2497.9999948 magnetization 
 augmentation part      162.7193360 magnetization 

  free energy =  -0.456446506323E+04  energy without entropy=  -0.456461433523E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0111       2 -56.1572       3 -56.0581       4 -55.7867       5 -55.7804
       6 -56.2866       7 -58.1219       8 -58.2920       9 -56.2642      10 -55.9513
      11 -56.0038      12 -55.7708      13 -55.7640      14 -55.9394      15 -58.0701
      16 -58.1001      17 -56.3182      18 -54.9325      19 -54.8810      20 -55.1327
      21 -55.6470      22 -55.6698      23 -55.7485      24 -55.6391      25 -54.9587
      26 -54.8469      27 -54.9643      28 -54.9248      29 -60.3872      30 -60.3489
      31 -55.6179      32 -55.8256      33 -55.7141      34 -55.2534      35 -55.4691
      36 -55.9628      37 -57.8302      38 -58.0570      39 -56.0696      40 -55.7861
      41 -55.9374      42 -55.7067      43 -55.7509      44 -55.8999      45 -58.0867
      46 -58.1981      47 -56.4663      48 -55.1518      49 -54.9943      50 -55.3028
      51 -55.9259      52 -55.8956      53 -55.8077      54 -55.7562      55 -55.1259
      56 -54.8705      57 -55.0061      58 -56.3576      59 -60.3456      60 -60.6184
      61 -55.9769      62 -56.0459      63 -55.9157      64 -55.7581      65 -55.7183
      66 -56.2146      67 -58.0283      68 -58.1813      69 -56.2409      70 -55.9000
      71 -56.0364      72 -55.7202      73 -55.6708      74 -55.9077      75 -58.0567
      76 -58.2328      77 -56.4760      78 -55.1047      79 -55.0304      80 -55.2958
      81 -55.8492      82 -55.8890      83 -55.9754      84 -55.9673      85 -55.1874
      86 -55.1280      87 -55.2170      88 -56.4647      89 -60.7390      90 -60.4127
      91 -55.6830      92 -55.8129      93 -55.7038      94 -55.4486      95 -55.5196
      96 -56.0114      97 -57.8757      98 -57.9923      99 -56.1260     100 -55.8841
     101 -56.0234     102 -55.6239     103 -55.6921     104 -55.9278     105 -58.1059
     106 -58.2609     107 -56.5077     108 -55.1615     109 -54.9921     110 -55.4082
     111 -55.9481     112 -55.8593     113 -55.8046     114 -55.7841     115 -55.1367
     116 -54.9388     117 -55.0309     118 -56.3982     119 -60.4770     120 -60.5987
     121 -55.8924     122 -55.9800     123 -55.8361     124 -55.7268     125 -55.7298
     126 -56.1273     127 -58.0377     128 -58.2352     129 -56.0377     130 -55.7201
     131 -55.8360     132 -55.5828     133 -55.5393     134 -55.7660     135 -57.9250
     136 -58.0360     137 -56.4259     138 -55.0942     139 -54.9842     140 -55.2449
     141 -55.8242     142 -55.8969     143 -55.9661     144 -55.9189     145 -55.1517
     146 -55.1442     147 -55.2005     148 -56.4231     149 -60.6377     150 -60.5541
     151 -55.5455     152 -55.6102     153 -55.4574     154 -55.2964     155 -55.3868
     156 -55.8406     157 -57.8959     158 -57.8694     159 -55.9224     160 -55.6900
     161 -55.9020     162 -55.4822     163 -55.5723     164 -55.7905     165 -57.9936
     166 -58.1661     167 -56.4547     168 -55.0893     169 -54.9220     170 -55.3062
     171 -55.9689     172 -55.9521     173 -55.8554     174 -55.7520     175 -55.3003
     176 -54.7760     177 -55.0042     178 -56.4015     179 -60.4411     180 -60.6263
     181 -55.9276     182 -56.1174     183 -55.9436     184 -55.6829     185 -55.6715
     186 -56.2068     187 -58.0366     188 -58.2589     189 -56.2065     190 -55.8436
     191 -55.9940     192 -55.7222     193 -55.7025     194 -55.9020     195 -58.0497
     196 -58.2296     197 -56.4736     198 -55.0258     199 -54.9716     200 -55.2905
     201 -55.8779     202 -55.9636     203 -55.9152     204 -55.8384     205 -55.1685
     206 -55.2077     207 -55.1327     208 -56.4303     209 -60.7352     210 -60.5185
     211 -55.9439     212 -56.1060     213 -55.9407     214 -55.7192     215 -55.6794
     216 -56.2071     217 -58.0963     218 -58.2900     219 -56.0972     220 -55.7827
     221 -55.8816     222 -55.5777     223 -55.4799     224 -55.7663     225 -57.9585
     226 -58.1211     227 -56.4622     228 -55.0451     229 -55.0338     230 -55.1999
     231 -55.7249     232 -55.9611     233 -55.9988     234 -55.6866     235 -55.0885
     236 -55.1407     237 -55.1708     238 -56.4617     239 -60.3988     240 -60.3443
     241 -55.9143     242 -55.9828     243 -55.8490     244 -55.7086     245 -55.7261
     246 -56.1675     247 -58.0249     248 -58.1467     249 -56.1561     250 -55.8374
     251 -55.9513     252 -55.6848     253 -55.6821     254 -55.8708     255 -57.9628
     256 -58.0587     257 -56.3549     258 -55.0664     259 -54.8937     260 -55.1989
     261 -55.7897     262 -55.8136     263 -55.8993     264 -55.9711     265 -55.3989
     266 -54.9729     267 -55.1336     268 -56.4609     269 -60.6411     270 -60.3492
     271 -55.8640     272 -55.9472     273 -55.7676     274 -55.6844     275 -55.6502
     276 -56.0424     277 -58.1126     278 -58.1804     279 -55.8894     280 -55.6446
     281 -55.7654     282 -55.4657     283 -55.4370     284 -55.7257     285 -57.9683
     286 -58.0355     287 -56.4069     288 -54.9812     289 -54.9369     290 -55.2880
     291 -55.8774     292 -55.8605     293 -55.8594     294 -55.7892     295 -55.1227
     296 -54.9194     297 -55.0154     298 -56.3538     299 -60.3536     300 -60.5343
     301 -55.8490     302 -55.9981     303 -55.8643     304 -55.5718     305 -55.5985
     306 -56.0906     307 -58.0544     308 -58.2492     309 -56.1098     310 -55.7861
     311 -55.9386     312 -55.6503     313 -55.6177     314 -55.8480     315 -57.9796
     316 -58.1196     317 -56.4100     318 -55.0340     319 -54.9131     320 -55.2267
     321 -55.8063     322 -55.8152     323 -55.9393     324 -55.9339     325 -55.1746
     326 -55.1393     327 -55.2178     328 -56.4463     329 -60.6494     330 -60.3714
     331 -55.7675     332 -55.7807     333 -55.6676     334 -55.6096     335 -55.5733
     336 -56.0237     337 -57.9864     338 -57.9661     339 -55.8706     340 -55.5306
     341 -55.7151     342 -55.5030     343 -55.5174     344 -55.7069     345 -57.9709
     346 -57.9914     347 -56.3813     348 -54.9225     349 -54.9207     350 -55.2373
     351 -55.7908     352 -55.8354     353 -55.8067     354 -55.7318     355 -55.1890
     356 -54.8748     357 -54.9824     358 -56.3804     359 -60.4130     360 -60.5043
     361 -39.1492     362 -38.8089     363 -39.0193     364 -39.0933     365 -39.0296
     366 -38.7358     367 -38.0684     368 -38.0619     369 -38.0813     370 -38.1457
     371 -38.1627     372 -38.1919     373 -38.8110     374 -38.3242     375 -38.7228
     376 -38.9133     377 -38.9008     378 -38.8005     379 -38.1779     380 -38.1402
     381 -38.2515     382 -38.0884     383 -38.2210     384 -38.0220     385 -38.9148
     386 -38.7521     387 -38.9321     388 -38.9268     389 -38.8880     390 -38.5605
     391 -38.2264     392 -38.2201     393 -38.1997     394 -38.1519     395 -38.3043
     396 -38.3145     397 -38.7700     398 -38.3911     399 -38.7469     400 -38.9449
     401 -38.7710     402 -38.7953     403 -38.3129     404 -38.2245     405 -38.3553
     406 -38.0580     407 -38.1379     408 -37.9908     409 -38.8333     410 -38.7737
     411 -39.0090     412 -38.7603     413 -38.9059     414 -38.6036     415 -38.2228
     416 -38.2332     417 -38.1024     418 -38.2668     419 -38.2508     420 -38.2726
     421 -38.5639     422 -38.2646     423 -38.5671     424 -38.7364     425 -38.6170
     426 -38.6468     427 -38.2040     428 -38.0967     429 -38.3092     430 -38.2221
     431 -38.1462     432 -37.9589     433 -38.8963     434 -38.6856     435 -39.0075
     436 -38.7989     437 -39.0264     438 -38.6333     439 -38.4481     440 -38.1489
     441 -38.1737     442 -38.2616     443 -38.3462     444 -38.0413     445 -38.9230
     446 -38.8172     447 -38.9471     448 -38.7804     449 -38.7964     450 -38.3591
     451 -38.0795     452 -38.0692     453 -38.0302     454 -38.0522     455 -38.0943
     456 -38.1646     457 -38.9075     458 -38.6975     459 -38.9053     460 -38.9044
     461 -38.9097     462 -38.6782     463 -38.1490     464 -38.1676     465 -38.1935
     466 -38.3031     467 -38.0950     468 -38.3474     469 -38.8752     470 -38.7556
     471 -38.8251     472 -38.8037     473 -38.6171     474 -38.4231     475 -38.1529
     476 -38.0189     477 -38.1947     478 -38.0723     479 -38.1624     480 -37.9817
     481 -38.8937     482 -38.7655     483 -38.9121     484 -38.8719     485 -38.9390
     486 -38.7498     487 -38.1781     488 -38.1674     489 -38.1214     490 -38.2773
     491 -38.2469     492 -38.3731     493 -38.8036     494 -38.5107     495 -38.6934
     496 -38.7702     497 -38.5716     498 -38.5564     499 -38.1705     500 -37.9325
     501 -38.1930     502 -38.1344     503 -38.1042     504 -37.9649     505 -38.2823
     506 -41.0298     507 -71.6843     508 -71.5848     509 -71.4208     510 -71.6156
     511 -71.6087     512 -71.5841     513 -71.3499     514 -71.6521     515 -71.5850
     516 -71.4299     517 -71.4011     518 -71.4932     519 -71.5495     520 -71.6484
     521 -71.5563     522 -71.4918     523 -71.5328     524 -71.4444     525 -71.5885
     526 -71.4015     527 -71.5782     528 -71.4965     529 -71.2235     530 -71.4311
     531 -76.9330     532 -76.7701     533 -76.7738     534 -76.7457     535 -76.6943
     536 -76.5825     537 -76.8547     538 -76.7604     539 -76.7692     540 -76.5133
     541 -76.9095     542 -76.7157     543 -76.6271     544 -76.6023     545 -76.9108
     546 -76.7472     547 -76.9147     548 -76.7438     549 -76.7246     550 -76.5999
     551 -76.5531     552 -76.6100     553 -76.7903     554 -76.7124     555 -76.9007
     556 -76.7628     557 -76.9302     558 -76.7471     559 -76.9072     560 -76.7754
     561 -76.7679     562 -76.6545     563 -76.8051     564 -76.6684     565 -76.6845
     566 -76.6217     567 -76.8551     568 -76.8162     569 -76.6361     570 -76.7179
     571 -76.9294     572 -76.7235     573 -76.8105     574 -76.6634     575 -76.6296
     576 -76.6353     577 -76.6864     578 -76.7130     579 -82.4258     580 -82.3306
     581 -82.2453     582 -82.3191     583 -82.2797     584 -82.2393     585 -82.4555
     586 -82.5732     587 -82.5534     588 -82.2404     589 -82.1093     590 -82.2572
     591 -82.4311     592 -82.2289     593 -82.2749     594 -82.7332     595 -82.5579
     596 -82.6768     597 -82.4687     598 -82.4993     599 -82.5727     600 -82.3273
     601 -82.1274     602 -82.5839     603 -82.6421     604 -82.3778     605 -82.5420
     606 -82.6990     607 -82.5591     608 -82.4348     609 -82.7365     610 -82.3852
     611 -82.3982     612 -82.4625     613 -82.3478     614 -82.1735     615 -82.5417
     616 -82.5010     617 -82.3907     618 -82.8645     619 -82.7267     620 -82.7835
     621 -82.1917     622 -82.3888     623 -82.4703     624 -82.3960     625 -82.2799
     626 -82.4162     627 -82.2125     628 -82.2975     629 -82.1767     630 -82.5904
     631 -82.3886     632 -82.3927     633 -82.4344     634 -82.4433     635 -82.4506
     636 -82.2433     637 -82.2341     638 -82.1580     639 -82.1276     640 -82.3505
     641 -82.2937     642 -82.5511     643 -82.5698     644 -82.4805     645 -82.3540
     646 -82.4950     647 -82.4822     648 -82.3070     649 -82.3101     650 -82.2639
 
 
 
 E-fermi :  -1.4572     XC(G=0):  -6.4631     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.3499      2.00000
      2     -29.1437      2.00000
      3     -29.0043      2.00000
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     10     -28.8422      2.00000
     11     -28.8193      2.00000
     12     -28.7914      2.00000
     13     -28.7879      2.00000
     14     -28.7674      2.00000
     15     -28.7600      2.00000
     16     -28.7541      2.00000
     17     -28.6519      2.00000
     18     -28.6201      2.00000
     19     -28.5810      2.00000
     20     -28.5729      2.00000
     21     -28.5619      2.00000
     22     -28.5231      2.00000
     23     -28.5106      2.00000
     24     -28.4576      2.00000
     25     -27.1385      2.00000
     26     -26.8954      2.00000
     27     -26.7911      2.00000
     28     -26.7232      2.00000
     29     -26.7098      2.00000
     30     -26.6949      2.00000
     31     -26.6607      2.00000
     32     -26.6437      2.00000
     33     -26.6420      2.00000
     34     -26.6354      2.00000
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     40     -26.5518      2.00000
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     46     -26.4666      2.00000
     47     -26.4597      2.00000
     48     -26.4533      2.00000
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     50     -26.4385      2.00000
     51     -26.4305      2.00000
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     67     -26.2211      2.00000
     68     -26.2209      2.00000
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     73     -23.2547      2.00000
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     95     -22.9255      2.00000
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   1083      -4.1880      2.00000
   1084      -4.1633      2.00000
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   1087      -4.1232      2.00000
   1088      -4.1113      2.00000
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   1091      -4.0587      2.00000
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   1095      -3.9935      2.00000
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   1100      -3.9127      2.00000
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   1106      -3.7738      2.00000
   1107      -3.7559      2.00000
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   1110      -3.7196      2.00000
   1111      -3.7071      2.00000
   1112      -3.6797      2.00000
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   1118      -3.4696      2.00000
   1119      -3.4288      2.00000
   1120      -3.3866      2.00000
   1121      -3.3657      2.00000
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   1123      -3.3439      2.00000
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   1127      -3.2342      2.00000
   1128      -3.2190      2.00000
   1129      -3.1833      2.00000
   1130      -3.1789      2.00000
   1131      -3.1558      2.00000
   1132      -3.1431      2.00000
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   1134      -3.1006      2.00000
   1135      -3.0900      2.00000
   1136      -3.0856      2.00000
   1137      -3.0694      2.00000
   1138      -3.0492      2.00000
   1139      -3.0483      2.00000
   1140      -3.0385      2.00000
   1141      -3.0343      2.00000
   1142      -3.0281      2.00000
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   1146      -3.0005      2.00000
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   1153      -2.9372      2.00000
   1154      -2.9322      2.00000
   1155      -2.9209      2.00000
   1156      -2.9152      2.00000
   1157      -2.9069      2.00000
   1158      -2.9035      2.00000
   1159      -2.8969      2.00000
   1160      -2.8896      2.00000
   1161      -2.8871      2.00000
   1162      -2.8830      2.00000
   1163      -2.8690      2.00000
   1164      -2.8674      2.00000
   1165      -2.8585      2.00000
   1166      -2.8502      2.00000
   1167      -2.8264      2.00000
   1168      -2.8189      2.00000
   1169      -2.8118      2.00000
   1170      -2.7970      2.00000
   1171      -2.7617      2.00000
   1172      -2.7517      2.00000
   1173      -2.7445      2.00000
   1174      -2.7344      2.00000
   1175      -2.7284      2.00000
   1176      -2.7103      2.00000
   1177      -2.6943      2.00000
   1178      -2.6882      2.00000
   1179      -2.6717      2.00000
   1180      -2.6382      2.00000
   1181      -2.6239      2.00000
   1182      -2.6181      2.00000
   1183      -2.5993      2.00000
   1184      -2.5939      2.00000
   1185      -2.5840      2.00000
   1186      -2.5757      2.00000
   1187      -2.5670      2.00000
   1188      -2.5638      2.00000
   1189      -2.5599      2.00000
   1190      -2.5542      2.00000
   1191      -2.5463      2.00000
   1192      -2.5310      2.00000
   1193      -2.5081      2.00000
   1194      -2.5017      2.00000
   1195      -2.4968      2.00000
   1196      -2.4842      2.00000
   1197      -2.4781      2.00000
   1198      -2.4719      2.00000
   1199      -2.4688      2.00000
   1200      -2.4586      2.00000
   1201      -2.4529      2.00000
   1202      -2.4504      2.00000
   1203      -2.4484      2.00000
   1204      -2.4474      2.00000
   1205      -2.4345      2.00000
   1206      -2.4197      2.00000
   1207      -2.4155      2.00000
   1208      -2.4076      2.00000
   1209      -2.3985      2.00000
   1210      -2.3964      2.00000
   1211      -2.3888      2.00000
   1212      -2.3807      2.00000
   1213      -2.3695      2.00000
   1214      -2.3562      2.00000
   1215      -2.3544      2.00000
   1216      -2.3462      2.00000
   1217      -2.3408      2.00000
   1218      -2.3329      2.00000
   1219      -2.3288      2.00000
   1220      -2.3259      2.00000
   1221      -2.3225      2.00000
   1222      -2.3057      2.00000
   1223      -2.3010      2.00000
   1224      -2.2989      2.00000
   1225      -2.2947      2.00000
   1226      -2.2796      2.00000
   1227      -2.2712      2.00000
   1228      -2.2655      2.00000
   1229      -2.2643      2.00000
   1230      -2.2338      2.00000
   1231      -2.2215      2.00000
   1232      -2.2188      2.00000
   1233      -2.2083      2.00000
   1234      -2.2021      2.00000
   1235      -2.1846      2.00000
   1236      -2.1524      2.00001
   1237      -2.1353      2.00002
   1238      -1.8065      2.03315
   1239      -1.7324      2.06521
   1240      -1.7100      2.07046
   1241      -1.6929      2.07021
   1242      -1.6791      2.06616
   1243      -1.6533      2.04600
   1244      -1.6357      2.02025
   1245      -1.6176      1.98111
   1246      -1.6124      1.96733
   1247      -1.6083      1.95568
   1248      -1.5852      1.87439
   1249      -1.5794      1.85000
   1250       0.1177     -0.00000
   1251       0.1502     -0.00000
   1252       0.1889     -0.00000
   1253       0.2148     -0.00000
   1254       0.2248     -0.00000
   1255       0.2494     -0.00000
   1256       0.2778     -0.00000
   1257       0.3024     -0.00000
   1258       0.3348     -0.00000
   1259       0.3482     -0.00000
   1260       0.3648     -0.00000
   1261       0.4800     -0.00000
   1262       0.6062     -0.00000
   1263       0.6478     -0.00000
   1264       0.6803     -0.00000
   1265       0.6973     -0.00000
   1266       0.7017     -0.00000
   1267       0.7447     -0.00000
   1268       0.7538     -0.00000
   1269       0.7565     -0.00000
   1270       0.7726     -0.00000
   1271       0.7846     -0.00000
   1272       0.8047     -0.00000
   1273       0.8270     -0.00000
   1274       0.8647     -0.00000
   1275       0.8891     -0.00000
   1276       0.8990     -0.00000
   1277       0.9213     -0.00000
   1278       0.9340     -0.00000
   1279       0.9568     -0.00000
   1280       1.0067     -0.00000
   1281       1.0347     -0.00000
   1282       1.0497     -0.00000
   1283       1.0871     -0.00000
   1284       1.1076     -0.00000
   1285       1.1585     -0.00000
   1286       1.1723     -0.00000
   1287       1.2323     -0.00000
   1288       1.3035     -0.00000
   1289       1.3228     -0.00000
   1290       1.3553     -0.00000
   1291       1.4173     -0.00000
   1292       1.5207     -0.00000
   1293       1.5338     -0.00000
   1294       1.5362     -0.00000
   1295       1.5797     -0.00000
   1296       1.6170     -0.00000
   1297       1.6482     -0.00000
   1298       1.8246     -0.00000
   1299       1.8407     -0.00000
   1300       1.8753     -0.00000
   1301       1.8850     -0.00000
   1302       1.9190     -0.00000
   1303       1.9378     -0.00000
   1304       1.9825     -0.00000
   1305       2.0011     -0.00000
   1306       2.0302     -0.00000
   1307       2.0498     -0.00000
   1308       2.0680     -0.00000
   1309       2.0783     -0.00000
   1310       2.0995     -0.00000
   1311       2.1088     -0.00000
   1312       2.1219     -0.00000
   1313       2.1463     -0.00000
   1314       2.1572     -0.00000
   1315       2.1828     -0.00000
   1316       2.2012     -0.00000
   1317       2.2268     -0.00000
   1318       2.2390     -0.00000
   1319       2.2452     -0.00000
   1320       2.3214     -0.00000
   1321       2.3295     -0.00000
   1322       2.3626     -0.00000
   1323       2.4163     -0.00000
   1324       2.4233     -0.00000
   1325       2.4596     -0.00000
   1326       2.4742     -0.00000
   1327       2.4941     -0.00000
   1328       2.5101     -0.00000
   1329       2.5155     -0.00000
   1330       2.5384     -0.00000
   1331       2.5697     -0.00000
   1332       2.5754     -0.00000
   1333       2.5892     -0.00000
   1334       2.5918     -0.00000
   1335       2.6161     -0.00000
   1336       2.6299     -0.00000
   1337       2.6470     -0.00000
   1338       2.6698     -0.00000
   1339       2.6825     -0.00000
   1340       2.6843     -0.00000
   1341       2.6967     -0.00000
   1342       2.7137     -0.00000
   1343       2.7532     -0.00000
   1344       2.7889     -0.00000
   1345       2.8106     -0.00000
   1346       2.9421     -0.00000
   1347       2.9811     -0.00000
   1348       3.0083     -0.00000
   1349       3.0283     -0.00000
   1350       3.0419     -0.00000
   1351       3.0586     -0.00000
   1352       3.0785     -0.00000
   1353       3.1033     -0.00000
   1354       3.1296     -0.00000
   1355       3.1403     -0.00000
   1356       3.1684     -0.00000
   1357       3.1904     -0.00000
   1358       3.2156     -0.00000
   1359       3.2422     -0.00000
   1360       3.2590     -0.00000
   1361       3.3190     -0.00000
   1362       3.4233     -0.00000
   1363       3.4745     -0.00000
   1364       3.5345     -0.00000
   1365       3.6111     -0.00000
   1366       3.6420     -0.00000
   1367       3.7029     -0.00000
   1368       3.7268     -0.00000
   1369       3.7628     -0.00000
   1370       3.7756     -0.00000
   1371       3.7955     -0.00000
   1372       3.8223     -0.00000
   1373       3.8524     -0.00000
   1374       3.8594     -0.00000
   1375       3.8821      0.00000
   1376       3.8907      0.00000
   1377       3.9139      0.00000
   1378       3.9261      0.00000
   1379       3.9433      0.00000
   1380       3.9455      0.00000
   1381       3.9621      0.00000
   1382       3.9779      0.00000
   1383       3.9842      0.00000
   1384       4.0204      0.00000
   1385       4.0312      0.00000
   1386       4.0353      0.00000
   1387       4.0455      0.00000
   1388       4.0557      0.00000
   1389       4.0688      0.00000
   1390       4.0870      0.00000
   1391       4.0931      0.00000
   1392       4.1027      0.00000
   1393       4.1211      0.00000
   1394       4.1341      0.00000
   1395       4.1451      0.00000
   1396       4.1470      0.00000
   1397       4.1598      0.00000
   1398       4.1743      0.00000
   1399       4.1872      0.00000
   1400       4.2085      0.00000
   1401       4.2156      0.00000
   1402       4.2277      0.00000
   1403       4.2551      0.00000
   1404       4.2642      0.00000
   1405       4.2774      0.00000
   1406       4.2887      0.00000
   1407       4.3012      0.00000
   1408       4.3052      0.00000
   1409       4.3254      0.00000
   1410       4.3443      0.00000
   1411       4.3632      0.00000
   1412       4.3674      0.00000
   1413       4.3714      0.00000
   1414       4.4039      0.00000
   1415       4.4134      0.00000
   1416       4.4253      0.00000
   1417       4.4341      0.00000
   1418       4.4459      0.00000
   1419       4.4644      0.00000
   1420       4.4764      0.00000
   1421       4.4877      0.00000
   1422       4.4953      0.00000
   1423       4.5118      0.00000
   1424       4.5194      0.00000
   1425       4.5611      0.00000
   1426       4.5700      0.00000
   1427       4.5987      0.00000
   1428       4.6094      0.00000
   1429       4.6158      0.00000
   1430       4.6435      0.00000
   1431       4.6565      0.00000
   1432       4.6964      0.00000
   1433       4.7023      0.00000
   1434       4.7117      0.00000
   1435       4.7414      0.00000
   1436       4.7918      0.00000
   1437       4.8090      0.00000
   1438       4.8296      0.00000
   1439       4.8472      0.00000
   1440       4.8629      0.00000
   1441       4.8826      0.00000
   1442       4.9019      0.00000
   1443       4.9145      0.00000
   1444       4.9511      0.00000
   1445       4.9698      0.00000
   1446       4.9749      0.00000
   1447       4.9865      0.00000
   1448       4.9905      0.00000
   1449       5.0115      0.00000
   1450       5.0201      0.00000
   1451       5.0442      0.00000
   1452       5.0470      0.00000
   1453       5.0800      0.00000
   1454       5.0979      0.00000
   1455       5.1118      0.00000
   1456       5.1240      0.00000
   1457       5.1300      0.00000
   1458       5.1418      0.00000
   1459       5.1521      0.00000
   1460       5.1652      0.00000
   1461       5.1794      0.00000
   1462       5.2168      0.00000
   1463       5.2233      0.00000
   1464       5.2274      0.00000
   1465       5.2375      0.00000
   1466       5.2494      0.00000
   1467       5.2787      0.00000
   1468       5.2811      0.00000
   1469       5.2871      0.00000
   1470       5.3038      0.00000
   1471       5.3105      0.00000
   1472       5.3191      0.00000
   1473       5.3315      0.00000
   1474       5.3366      0.00000
   1475       5.3494      0.00000
   1476       5.3542      0.00000
   1477       5.3739      0.00000
   1478       5.3798      0.00000
   1479       5.3925      0.00000
   1480       5.4024      0.00000
   1481       5.4096      0.00000
   1482       5.4170      0.00000
   1483       5.4226      0.00000
   1484       5.4341      0.00000
   1485       5.4430      0.00000
   1486       5.4507      0.00000
   1487       5.4588      0.00000
   1488       5.4731      0.00000
   1489       5.4800      0.00000
   1490       5.4850      0.00000
   1491       5.4957      0.00000
   1492       5.4983      0.00000
   1493       5.5069      0.00000
   1494       5.5130      0.00000
   1495       5.5200      0.00000
   1496       5.5274      0.00000
   1497       5.5379      0.00000
   1498       5.5448      0.00000
   1499       5.5571      0.00000
   1500       5.5600      0.00000
   1501       5.5705      0.00000
   1502       5.5869      0.00000
   1503       5.5949      0.00000
   1504       5.6032      0.00000
   1505       5.6189      0.00000
   1506       5.6253      0.00000
   1507       5.6481      0.00000
   1508       5.6528      0.00000
   1509       5.6576      0.00000
   1510       5.6667      0.00000
   1511       5.6851      0.00000
   1512       5.6946      0.00000
   1513       5.6974      0.00000
   1514       5.7053      0.00000
   1515       5.7137      0.00000
   1516       5.7293      0.00000
   1517       5.7364      0.00000
   1518       5.7513      0.00000
   1519       5.7601      0.00000
   1520       5.7830      0.00000
   1521       5.7873      0.00000
   1522       5.7975      0.00000
   1523       5.8041      0.00000
   1524       5.8145      0.00000
   1525       5.8223      0.00000
   1526       5.8289      0.00000
   1527       5.8419      0.00000
   1528       5.8564      0.00000
   1529       5.8650      0.00000
   1530       5.8753      0.00000
   1531       5.8906      0.00000
   1532       5.8999      0.00000
   1533       5.9052      0.00000
   1534       5.9123      0.00000
   1535       5.9224      0.00000
   1536       5.9276      0.00000
   1537       5.9370      0.00000
   1538       5.9477      0.00000
   1539       5.9562      0.00000
   1540       5.9634      0.00000
   1541       5.9763      0.00000
   1542       5.9866      0.00000
   1543       5.9958      0.00000
   1544       5.9988      0.00000
   1545       6.0110      0.00000
   1546       6.0188      0.00000
   1547       6.0257      0.00000
   1548       6.0334      0.00000
   1549       6.0439      0.00000
   1550       6.0514      0.00000
   1551       6.0611      0.00000
   1552       6.0662      0.00000
   1553       6.0813      0.00000
   1554       6.0899      0.00000
   1555       6.0986      0.00000
   1556       6.1057      0.00000
   1557       6.1178      0.00000
   1558       6.1258      0.00000
   1559       6.1320      0.00000
   1560       6.1464      0.00000
   1561       6.1509      0.00000
   1562       6.1531      0.00000
   1563       6.1598      0.00000
   1564       6.1737      0.00000
   1565       6.1874      0.00000
   1566       6.1919      0.00000
   1567       6.1945      0.00000
   1568       6.2075      0.00000
   1569       6.2200      0.00000
   1570       6.2237      0.00000
   1571       6.2295      0.00000
   1572       6.2311      0.00000
   1573       6.2444      0.00000
   1574       6.2568      0.00000
   1575       6.2719      0.00000
   1576       6.2744      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.087  13.411  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.411  17.829  -0.001   0.002  -0.000   0.003  -0.005   0.000
 -0.001  -0.001  -4.231   0.003   0.001   8.275  -0.004  -0.001
  0.001   0.002   0.003  -4.231   0.001  -0.004   8.274  -0.001
 -0.000  -0.000   0.001   0.001  -4.224  -0.001  -0.001   8.266
  0.002   0.003   8.275  -0.004  -0.001 -18.314   0.007   0.001
 -0.004  -0.005  -0.004   8.274  -0.001   0.007 -18.310   0.000
  0.000   0.000  -0.001  -0.001   8.266   0.001   0.000 -18.304
 total augmentation occupancy for first ion, spin component:           1
  8.537  -3.854   0.169   0.118  -0.047   0.021   0.023  -0.008
 -3.854   1.814  -0.085  -0.083   0.027  -0.009  -0.014   0.004
  0.169  -0.085   1.793  -0.067  -0.039   0.170  -0.012  -0.007
  0.118  -0.083  -0.067   1.912  -0.074  -0.011   0.179  -0.010
 -0.047   0.027  -0.039  -0.074   1.222  -0.007  -0.010   0.081
  0.021  -0.009   0.170  -0.011  -0.007   0.018  -0.002  -0.001
  0.023  -0.014  -0.012   0.179  -0.010  -0.002   0.018  -0.001
 -0.008   0.004  -0.007  -0.010   0.081  -0.001  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -52358.22095100982.16651 27908.19734-12090.00524  6739.21353 22159.89543
  Hartree  3112.12395127798.15339 66111.87554-12402.92297  4721.94146 16574.40710
  E(xc)  -10738.06264-10591.86953-10635.81782     2.48967     7.98271    31.52630
  Local   15824.73798************************ 24480.04077-11494.04704-38161.54310
  n-local -5851.79240 -5978.29703 -6037.74079     3.93167    17.42098   -62.12923
  augment  1492.52322  1535.66319  1486.64842     5.38688    13.20330    -2.31272
  Kinetic 45545.58019 43217.19132 43732.64240   -20.23081   -72.17623  -542.45131
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -65.2519318   -415.6533406   -108.6436337    -21.3100231    -66.4612863     -2.6075282
  in kB      -10.8812819    -69.3135216    -18.1171956     -3.5536169    -11.0829515     -0.4348262
  external PRESSURE =     -32.7706664 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.252E+03 -.117E+03 0.249E+03   0.252E+03 0.117E+03 -.250E+03   -.117E+00 -.640E+00 0.146E+01   0.395E-03 0.188E-03 -.184E-03
   -.208E+03 -.139E+03 0.543E+02   0.208E+03 0.141E+03 -.540E+02   0.224E+00 -.128E+01 -.413E+00   0.246E-03 0.883E-04 -.225E-03
   -.178E+03 -.127E+03 0.387E+01   0.178E+03 0.128E+03 -.230E+01   0.295E+00 -.130E+01 -.154E+01   0.162E-03 -.274E-04 -.215E-03
   -.233E+03 -.105E+03 0.348E+03   0.233E+03 0.105E+03 -.351E+03   -.155E+00 -.401E-01 0.255E+01   0.484E-03 0.121E-03 -.222E-03
   -.184E+03 -.150E+03 0.309E+03   0.184E+03 0.150E+03 -.311E+03   0.147E+00 -.799E+00 0.858E+00   0.337E-03 0.197E-05 -.319E-03
   -.163E+03 -.114E+03 0.169E+03   0.163E+03 0.114E+03 -.169E+03   0.139E+00 -.246E+00 0.989E-01   0.165E-03 -.670E-04 -.264E-03
   -.256E+03 -.134E+03 0.186E+03   0.256E+03 0.138E+03 -.187E+03   0.583E+00 -.448E+01 0.890E+00   0.371E-03 0.329E-03 -.929E-04
   -.191E+03 -.120E+03 0.303E+02   0.191E+03 0.124E+03 -.321E+02   -.485E+00 -.411E+01 0.197E+01   0.184E-03 0.171E-03 -.136E-03
   -.118E+03 0.662E+01 0.200E+03   0.118E+03 -.667E+01 -.200E+03   0.131E+00 0.323E-01 0.292E+00   0.323E-04 -.694E-04 -.254E-03
   -.921E+02 0.879E+02 0.654E+02   0.916E+02 -.894E+02 -.643E+02   0.497E+00 0.154E+01 -.914E+00   -.525E-05 -.462E-04 -.164E-03
   -.104E+03 0.111E+03 0.137E+03   0.104E+03 -.112E+03 -.137E+03   0.218E+00 0.112E+01 -.104E+00   -.398E-04 -.560E-04 -.186E-03
   -.124E+03 0.181E+01 0.338E+03   0.124E+03 -.202E+01 -.339E+03   -.281E+00 0.382E+00 0.114E+01   0.194E-04 -.545E-04 -.366E-03
   -.124E+03 -.347E+02 0.371E+03   0.124E+03 0.358E+02 -.373E+03   0.692E-01 -.959E+00 0.236E+01   -.110E-04 0.269E-04 -.372E-03
   -.131E+03 0.312E+02 0.309E+03   0.132E+03 -.312E+02 -.311E+03   -.266E+00 0.290E-01 0.153E+01   -.472E-04 -.531E-04 -.274E-03
   -.125E+03 0.115E+03 0.274E+03   0.124E+03 -.119E+03 -.276E+03   0.575E+00 0.391E+01 0.210E+01   0.475E-05 -.145E-03 -.212E-03
   -.960E+02 0.124E+03 0.109E+03   0.957E+02 -.127E+03 -.113E+03   0.281E+00 0.296E+01 0.333E+01   -.169E-04 -.832E-04 -.947E-04
   -.918E+02 0.121E+03 0.630E+02   0.922E+02 -.116E+03 -.589E+02   -.459E+00 -.479E+01 -.419E+01   0.390E-05 -.441E-04 -.533E-04
   -.218E+02 0.208E+03 -.153E+03   0.212E+02 -.210E+03 0.156E+03   0.645E+00 0.186E+01 -.231E+01   0.201E-04 -.278E-04 0.725E-05
   0.138E+02 0.153E+03 -.204E+03   -.141E+02 -.153E+03 0.206E+03   0.254E+00 0.251E+00 -.161E+01   0.369E-04 -.419E-05 0.309E-04
   -.821E+02 0.123E+03 0.190E+03   0.831E+02 -.122E+03 -.193E+03   -.108E+01 -.963E+00 0.324E+01   -.403E-05 -.432E-05 -.778E-04
   -.133E+02 0.796E+02 -.443E+01   0.121E+02 -.812E+02 0.562E+01   0.142E+01 0.168E+01 -.140E+01   -.172E-04 -.128E-04 -.130E-04
   -.153E+02 0.160E+02 -.143E+03   0.154E+02 -.164E+02 0.144E+03   0.168E-01 0.136E-01 -.991E+00   0.843E-05 -.593E-05 0.226E-04
   -.577E+02 -.306E+02 -.184E+03   0.581E+02 0.310E+02 0.183E+03   -.461E+00 -.265E+00 0.772E+00   0.137E-04 -.541E-04 0.380E-04
   -.563E+02 -.683E+02 -.239E+03   0.575E+02 0.699E+02 0.238E+03   -.120E+01 -.162E+01 0.144E+01   0.569E-04 -.125E-03 0.719E-04
   -.352E+02 -.156E+03 -.352E+03   0.348E+02 0.156E+03 0.353E+03   0.320E+00 -.391E+00 -.185E+01   0.129E-03 -.286E-03 -.170E-04
   -.121E+03 -.169E+03 -.166E+03   0.122E+03 0.169E+03 0.165E+03   -.762E+00 -.262E+00 0.176E+01   0.137E-04 -.347E-04 0.119E-05
   -.982E+02 -.289E+03 -.197E+03   0.985E+02 0.290E+03 0.196E+03   -.155E+00 -.916E+00 0.500E+00   0.119E-03 -.679E-04 -.707E-04
   -.519E+02 -.265E+03 -.307E+03   0.518E+02 0.266E+03 0.308E+03   0.523E-01 -.128E+01 -.409E+00   0.201E-03 -.264E-03 -.152E-03
   -.547E+02 -.201E+02 -.231E+03   0.606E+02 0.276E+02 0.225E+03   -.594E+01 -.786E+01 0.511E+01   0.150E-03 -.534E-04 0.192E-03
   -.187E+02 0.531E+02 0.314E+02   0.138E+02 -.620E+02 -.270E+02   0.504E+01 0.896E+01 -.467E+01   0.252E-04 -.248E-04 -.228E-04
   -.223E+03 -.275E+02 -.412E+02   0.223E+03 0.278E+02 0.428E+02   -.211E+00 -.161E+00 -.161E+01   0.458E-04 0.568E-04 -.481E-04
   -.153E+03 -.152E+03 0.136E+03   0.153E+03 0.153E+03 -.136E+03   0.102E+00 -.147E+01 -.157E+00   0.751E-04 0.354E-05 -.759E-04
   -.169E+03 -.153E+03 0.176E+03   0.169E+03 0.155E+03 -.177E+03   0.140E-01 -.176E+01 0.789E+00   0.102E-03 -.535E-04 -.797E-04
   -.323E+03 0.803E+01 -.165E+03   0.323E+03 -.998E+01 0.167E+03   0.372E+00 0.183E+01 -.294E+01   -.169E-06 0.116E-04 -.173E-05
   -.308E+03 -.681E+02 -.192E+03   0.308E+03 0.681E+02 0.194E+03   0.182E+00 -.105E+00 -.123E+01   0.188E-04 -.234E-04 0.359E-05
   -.233E+03 -.710E+02 -.903E+01   0.233E+03 0.709E+02 0.899E+01   0.386E+00 0.905E-01 -.268E+00   0.659E-04 -.628E-04 -.221E-04
   -.127E+03 -.565E+02 -.125E+01   0.128E+03 0.610E+02 0.337E+01   -.818E+00 -.408E+01 -.262E+01   0.478E-04 0.125E-03 -.895E-04
   -.761E+02 -.144E+03 0.115E+03   0.765E+02 0.148E+03 -.111E+03   -.371E+00 -.310E+01 -.374E+01   0.657E-04 0.648E-04 -.121E-03
   -.206E+03 0.466E+02 -.192E+02   0.205E+03 -.469E+02 0.193E+02   0.174E+00 0.316E+00 -.685E-01   0.689E-04 -.544E-04 -.787E-05
   -.122E+03 0.589E+02 0.188E+03   0.122E+03 -.600E+02 -.190E+03   0.105E+00 0.140E+01 0.165E+01   0.108E-03 -.421E-04 -.409E-04
   -.838E+02 0.819E+02 0.106E+03   0.838E+02 -.833E+02 -.106E+03   0.121E+00 0.158E+01 0.408E+00   0.524E-04 -.205E-04 -.233E-04
   -.234E+03 0.846E+02 -.235E+03   0.234E+03 -.854E+02 0.236E+03   0.529E-01 0.958E+00 -.858E+00   0.447E-04 -.562E-04 0.186E-04
   -.193E+03 0.413E+02 -.307E+03   0.193E+03 -.414E+02 0.310E+03   0.168E+00 0.216E+00 -.237E+01   0.435E-04 -.535E-04 -.194E-04
   -.122E+03 0.635E+02 -.162E+03   0.122E+03 -.645E+02 0.164E+03   -.225E+00 0.825E+00 -.132E+01   0.193E-04 -.369E-04 -.353E-04
   -.642E+02 0.107E+03 -.103E+03   0.640E+02 -.111E+03 0.103E+03   0.224E+00 0.475E+01 -.512E+00   -.115E-06 -.438E-04 -.129E-03
   -.252E+02 0.885E+02 0.131E+03   0.248E+02 -.927E+02 -.130E+03   0.390E+00 0.447E+01 -.206E+01   0.448E-04 -.229E-05 -.118E-03
   0.263E+02 0.586E+02 0.975E+02   -.247E+02 -.530E+02 -.994E+02   -.178E+01 -.574E+01 0.192E+01   -.966E-05 0.149E-04 -.732E-05
   -.762E+01 0.135E+03 0.278E+03   0.858E+01 -.136E+03 -.281E+03   -.117E+01 0.118E+01 0.278E+01   0.649E-04 -.146E-04 -.276E-04
   -.369E+02 0.130E+03 0.244E+03   0.379E+02 -.129E+03 -.246E+03   -.919E+00 -.411E+00 0.189E+01   0.751E-04 -.289E-04 -.328E-04
   0.461E+02 0.802E+02 -.565E+02   -.471E+02 -.805E+02 0.597E+02   0.120E+01 0.190E+00 -.327E+01   -.191E-04 0.349E-04 0.615E-05
   0.422E+01 0.311E+02 0.269E+02   -.367E+01 -.321E+02 -.291E+02   -.641E+00 0.122E+01 0.205E+01   -.371E-04 -.829E-05 0.302E-04
   -.140E+02 0.169E+02 0.892E+02   0.145E+02 -.167E+02 -.900E+02   -.618E+00 -.279E+00 0.811E+00   0.281E-05 -.248E-04 0.144E-05
   -.884E+02 0.282E+01 0.445E+02   0.883E+02 -.286E+01 -.439E+02   0.195E+00 0.190E+00 -.701E+00   0.149E-04 -.305E-04 -.132E-04
   -.179E+03 -.164E+02 0.961E+02   0.179E+03 0.173E+02 -.941E+02   0.662E+00 -.860E+00 -.192E+01   0.573E-04 -.211E-04 -.480E-04
   -.268E+03 -.790E+02 0.172E+03   0.269E+03 0.793E+02 -.176E+03   -.137E+01 0.532E-01 0.322E+01   0.773E-04 0.883E-04 -.334E-04
   -.932E+02 -.119E+03 -.122E+03   0.928E+02 0.119E+03 0.124E+03   0.333E+00 0.441E+00 -.162E+01   0.165E-04 0.213E-06 -.933E-05
   -.123E+03 -.128E+03 -.164E+03   0.122E+03 0.130E+03 0.167E+03   0.890E+00 -.115E+01 -.292E+01   0.583E-04 0.691E-04 -.401E-04
   -.200E+03 -.614E+02 0.346E+02   0.199E+03 0.554E+02 -.326E+02   0.977E+00 0.622E+01 -.197E+01   0.118E-03 0.132E-03 -.648E-04
   -.215E+03 0.181E+02 0.154E+03   0.212E+03 -.126E+02 -.145E+03   0.275E+01 -.618E+01 -.876E+01   0.128E-03 -.132E-03 -.257E-04
   -.507E+02 0.445E+01 -.546E+02   0.528E+02 -.110E+02 0.460E+02   -.199E+01 0.673E+01 0.869E+01   -.564E-04 -.202E-04 0.151E-04
   -.381E+03 -.751E+02 0.821E+02   0.381E+03 0.758E+02 -.834E+02   -.133E+00 -.666E+00 0.159E+01   0.205E-03 0.333E-04 0.413E-04
   -.377E+03 -.102E+03 -.883E+02   0.377E+03 0.104E+03 0.887E+02   0.198E+00 -.132E+01 -.313E+00   0.266E-03 0.306E-04 0.372E-04
   -.345E+03 -.920E+02 -.131E+03   0.345E+03 0.930E+02 0.133E+03   0.106E+00 -.112E+01 -.160E+01   0.236E-03 -.178E-04 0.802E-04
   -.320E+03 -.675E+02 0.170E+03   0.320E+03 0.677E+02 -.172E+03   -.159E+00 -.930E-01 0.233E+01   0.148E-03 -.521E-04 0.134E-04
   -.267E+03 -.111E+03 0.131E+03   0.266E+03 0.111E+03 -.131E+03   0.119E+00 -.881E+00 0.743E+00   0.106E-03 -.329E-04 0.496E-04
   -.287E+03 -.826E+02 -.237E+00   0.287E+03 0.827E+02 0.426E+00   0.434E-01 -.241E+00 0.266E-01   0.149E-03 0.271E-04 0.832E-04
   -.392E+03 -.100E+03 0.189E+02   0.392E+03 0.103E+03 -.213E+02   0.513E+00 -.448E+01 0.871E+00   0.145E-03 0.152E-03 0.120E-04
   -.384E+03 -.951E+02 -.571E+02   0.384E+03 0.993E+02 0.557E+02   -.601E+00 -.417E+01 0.213E+01   0.280E-03 0.883E-04 0.110E-04
   -.241E+03 0.447E+02 0.258E+02   0.241E+03 -.448E+02 -.258E+02   -.439E-01 0.677E-01 0.228E+00   0.156E-03 0.108E-03 0.101E-03
   -.263E+03 0.118E+03 -.706E+02   0.263E+03 -.119E+03 0.717E+02   0.186E+00 0.165E+01 -.983E+00   0.251E-03 0.827E-04 0.636E-04
   -.264E+03 0.133E+03 -.203E+01   0.264E+03 -.135E+03 0.189E+01   0.202E+00 0.141E+01 0.202E+00   0.299E-03 0.519E-05 0.171E-04
   -.188E+03 0.415E+02 0.131E+03   0.189E+03 -.418E+02 -.133E+03   -.214E+00 0.351E+00 0.114E+01   0.117E-03 0.122E-03 0.116E-03
   -.181E+03 -.108E+02 0.143E+03   0.181E+03 0.119E+02 -.145E+03   -.130E-01 -.106E+01 0.256E+01   0.168E-03 0.288E-04 0.105E-03
   -.243E+03 0.382E+02 0.121E+03   0.243E+03 -.384E+02 -.123E+03   -.163E+00 0.217E+00 0.159E+01   0.243E-03 -.589E-04 0.704E-04
   -.259E+03 0.971E+02 0.110E+03   0.259E+03 -.101E+03 -.112E+03   0.409E+00 0.414E+01 0.216E+01   0.199E-03 -.277E-03 0.119E-03
   -.287E+03 0.143E+03 0.723E+02   0.287E+03 -.146E+03 -.761E+02   0.103E+00 0.317E+01 0.365E+01   0.350E-03 -.651E-04 -.719E-04
   -.287E+03 0.110E+03 0.102E+03   0.287E+03 -.105E+03 -.979E+02   0.136E+00 -.478E+01 -.408E+01   0.102E-03 -.217E-03 -.374E-04
   -.166E+03 0.206E+03 0.258E+02   0.165E+03 -.208E+03 -.239E+02   0.924E+00 0.177E+01 -.209E+01   0.935E-04 -.596E-04 -.787E-04
   -.812E+02 0.124E+03 0.535E+02   0.804E+02 -.124E+03 -.515E+02   0.677E+00 0.311E+00 -.151E+01   -.359E-05 0.249E-05 -.225E-04
   -.325E+03 0.931E+02 0.195E+03   0.326E+03 -.924E+02 -.198E+03   -.115E+01 -.957E+00 0.293E+01   -.794E-04 -.272E-03 0.104E-03
   -.248E+03 0.607E+02 0.105E+03   0.247E+03 -.623E+02 -.104E+03   0.971E+00 0.165E+01 -.130E+01   -.124E-03 -.171E-03 0.151E-03
   -.156E+03 0.163E+01 0.905E+02   0.156E+03 -.199E+01 -.900E+02   0.259E+00 -.298E-01 -.778E+00   -.705E-04 -.441E-04 0.765E-04
   -.139E+03 -.721E+01 0.125E+03   0.139E+03 0.761E+01 -.125E+03   -.465E+00 -.228E-01 0.913E+00   -.415E-04 0.214E-04 0.697E-04
   -.833E+02 -.342E+02 0.868E+02   0.847E+02 0.359E+02 -.882E+02   -.181E+01 -.159E+01 0.148E+01   -.277E-04 0.365E-04 -.214E-04
   -.136E+02 -.640E+02 -.164E+02   0.123E+02 0.632E+02 0.196E+02   0.144E+01 0.103E+01 -.327E+01   0.126E-04 0.570E-04 -.454E-04
   -.206E+03 -.131E+03 0.170E+03   0.207E+03 0.131E+03 -.172E+03   -.947E+00 -.286E+00 0.195E+01   0.223E-04 0.879E-04 0.142E-03
   -.134E+03 -.208E+03 0.200E+03   0.134E+03 0.210E+03 -.202E+03   -.916E+00 -.178E+01 0.186E+01   0.567E-04 0.161E-03 0.543E-04
   -.338E+02 -.968E+02 0.105E+03   0.343E+02 0.925E+02 -.109E+03   -.414E+00 0.449E+01 0.405E+01   0.245E-04 0.108E-03 -.315E-04
   -.471E+02 -.265E+02 0.742E+02   0.523E+02 0.348E+02 -.800E+02   -.521E+01 -.847E+01 0.548E+01   -.988E-04 0.119E-04 -.528E-04
   -.304E+03 0.420E+02 0.889E+02   0.300E+03 -.507E+02 -.842E+02   0.417E+01 0.895E+01 -.500E+01   -.242E-04 -.186E-03 0.299E-03
   -.254E+03 -.150E+02 -.119E+03   0.254E+03 0.152E+02 0.120E+03   -.319E+00 -.206E+00 -.150E+01   -.515E-04 0.585E-04 0.152E-04
   -.213E+03 -.155E+03 0.478E+02   0.213E+03 0.156E+03 -.476E+02   0.112E+00 -.150E+01 -.222E+00   -.732E-04 0.354E-04 -.192E-04
   -.204E+03 -.179E+03 0.997E+02   0.203E+03 0.181E+03 -.101E+03   0.622E-02 -.160E+01 0.906E+00   -.512E-04 0.547E-04 -.283E-04
   -.306E+03 0.398E+02 -.210E+03   0.306E+03 -.412E+02 0.212E+03   0.302E+00 0.130E+01 -.243E+01   -.155E-04 -.210E-04 0.766E-04
   -.291E+03 -.515E+02 -.181E+03   0.290E+03 0.516E+02 0.182E+03   0.216E+00 -.180E+00 -.119E+01   0.909E-07 -.162E-05 0.523E-04
   -.223E+03 -.930E+02 -.223E+02   0.223E+03 0.928E+02 0.221E+02   0.377E+00 0.161E+00 -.132E+00   -.315E-04 0.444E-04 -.224E-04
   -.178E+03 -.456E+02 -.102E+03   0.179E+03 0.496E+02 0.104E+03   -.970E+00 -.398E+01 -.248E+01   -.301E-04 0.949E-04 -.581E-04
   -.169E+03 -.142E+03 0.116E+02   0.169E+03 0.145E+03 -.818E+01   -.454E+00 -.302E+01 -.383E+01   -.792E-04 0.303E-04 -.922E-04
   -.165E+03 0.259E+02 0.337E+02   0.165E+03 -.262E+02 -.337E+02   0.195E+00 0.350E+00 0.507E-02   -.506E-04 0.626E-04 -.456E-04
   -.976E+02 0.293E+02 0.175E+03   0.978E+02 -.303E+02 -.177E+03   -.319E+00 0.125E+01 0.168E+01   -.642E-04 0.802E-04 -.829E-04
   -.355E+02 0.606E+02 0.141E+03   0.354E+02 -.620E+02 -.141E+03   0.103E+00 0.150E+01 0.481E+00   -.937E-04 0.433E-04 -.110E-03
   -.198E+03 0.974E+02 -.810E+02   0.198E+03 -.987E+02 0.822E+02   -.163E-01 0.135E+01 -.110E+01   -.795E-04 0.120E-04 -.481E-04
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 -----------------------------------------------------------------------------------------------
   0.152E+01 0.813E+01 0.639E+01   -.125E-10 -.455E-11 0.568E-12   -.152E+01 -.812E+01 -.640E+01   -.116E-01 -.373E-02 -.377E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.00742      3.16520      1.38284        -0.019554     -0.023632      0.084416
     12.80748      3.58410      2.69644         0.001902     -0.054364     -0.104138
     12.77274      4.94940      3.02479         0.008557     -0.098371      0.023660
     13.03015      4.08614      0.35096         0.050241     -0.043872      0.006143
     12.94412      5.43667      0.68267         0.014692     -0.090436     -0.250066
     12.88562      5.93081      2.00026         0.035608     -0.151487      0.112317
     13.13971      1.68896      1.33813         0.116188     -0.085654     -0.041208
     12.62621      2.33979      3.52228        -0.084886     -0.023006      0.178168
     12.99537      7.41507      2.23138         0.031869     -0.014806      0.216668
     12.97773      8.01636      3.51245         0.048251      0.115116      0.231715
     13.26838      9.37783      3.65525        -0.009844      0.126294     -0.110211
     13.20200      8.29412      1.14428        -0.076732      0.171979     -0.066467
     13.41035      9.66933      1.27410         0.053862      0.061541      0.078669
     13.48142     10.20166      2.55642        -0.059891     -0.004757      0.096988
     13.69100     11.60528      3.02133         0.028810     -0.298057      0.025013
     13.38445     10.22355      4.88590        -0.017481     -0.132486     -0.189430
     13.73281     12.71578      5.34608        -0.051456     -0.147420     -0.050134
     13.43044     12.60979      6.70960         0.011127     -0.142003     -0.257223
     13.42728     13.72399      7.54058        -0.005182      0.116729      0.564532
     14.05774     14.00614      4.90826        -0.042816     -0.206752      0.113062
     14.05532     15.11418      5.78291         0.190883      0.054397     -0.208950
     13.76151     15.04998      7.18641         0.071504     -0.341939     -0.057900
     13.84225     16.16204      8.24674        -0.091335      0.150057      0.206259
     13.28322     16.12533      9.58454        -0.017675      0.051753      0.138686
     13.37500     17.23436     10.44324        -0.039210      0.078303     -0.019198
     14.45515     17.41738      7.97411         0.080289      0.012279     -0.076363
     14.44153     18.54824      8.80035         0.178261     -0.138268     -0.033009
     13.91427     18.45504     10.07221         0.016471     -0.107470      0.088596
     12.49721     15.01764     10.25870        -0.090534     -0.285703      0.008184
     14.61806     16.32665      5.10920         0.146731      0.025179     -0.234023
      9.70175      3.85903      4.78807         0.066096      0.154072      0.029619
      9.75018      4.79649      3.76334         0.035609     -0.133937      0.130059
      9.88774      6.16121      4.06941        -0.086290     -0.127142     -0.231126
      9.76243      4.25095      6.11500         0.144729     -0.119216     -0.139478
      9.81976      5.60366      6.41328         0.106468     -0.094523      0.083402
      9.90319      6.59929      5.42050         0.095348     -0.054984     -0.304812
      9.48040      2.50147      4.25322         0.131787      0.480242     -0.495119
      9.64509      4.03163      2.47041         0.015531      0.010262     -0.214258
     10.00228      8.03957      5.80569         0.050481     -0.003057     -0.025536
     10.15264      9.05609      4.84077        -0.071157      0.293354     -0.199383
     10.23251     10.38659      5.23435         0.100437      0.156491      0.228487
      9.92684      8.44934      7.15720         0.082735      0.085903      0.068827
     10.00428      9.78662      7.56228         0.083989      0.150756     -0.234704
     10.17602     10.75746      6.57790        -0.039848     -0.148255     -0.063680
     10.27175     12.23304      6.68164         0.062649      0.154048      0.078209
     10.38055     11.63008      4.42615         0.000775      0.241671     -0.423023
     10.80202     14.09607      4.98303        -0.156988     -0.148264     -0.037830
     11.31052     14.41822      3.71794        -0.203343     -0.112366      0.159832
     11.71421     15.72214      3.42569         0.024607      0.067845     -0.107037
     10.69989     15.16229      5.88911         0.158690     -0.081719     -0.096450
     11.04778     16.48975      5.55697        -0.082006      0.195104     -0.075176
     11.59236     16.85873      4.25236        -0.177111     -0.087804     -0.015451
     12.02639     18.25339      3.71884         0.093884      0.156027     -0.105907
     12.56440     18.66726      2.42747        -0.148319      0.009914      0.164446
     12.83047     20.01460      2.12400        -0.010950      0.402870      0.107031
     11.91586     19.36356      4.57462        -0.072990     -0.065601      0.275633
     12.16479     20.70336      4.28911         0.203611      0.146264     -0.129337
     12.60417     21.07433      3.01539        -0.031441      0.219495      0.057334
     12.93840     17.81375      1.23719         0.113860     -0.659738     -0.348093
     10.79329     17.41584      6.74183         0.133612      0.132940      0.090251
     10.33447      7.10382     14.62342        -0.099337     -0.020707      0.340512
     10.20537      7.52972     15.94823         0.103365     -0.070875      0.072199
     10.21864      8.90021     16.28422         0.143454     -0.070171      0.017500
     10.34560      8.05410     13.60740        -0.002273      0.134632      0.052436
     10.30337      9.41798     13.95528         0.044719     -0.387468     -0.237784
     10.30334      9.91109     15.27680         0.119940     -0.206615      0.216167
     10.38158      5.60786     14.60210         0.788259     -1.082053     -1.465319
     10.01626      6.27846     16.79232         0.019383      0.057765      0.739221
     10.40451     11.41591     15.53677        -0.029893     -0.048453      0.254381
     10.38410     12.00683     16.83193         0.050620      0.050668      0.194333
     10.55921     13.39410     17.00244         0.054504      0.058905      0.063779
     10.54345     12.33237     14.46370        -0.043589      0.094902     -0.075509
     10.68299     13.71715     14.62222         0.048866     -0.003122      0.023769
     10.71846     14.23864     15.91034        -0.033671      0.017295      0.087638
     10.84596     15.65440     16.36795         0.036610     -0.074335      0.088571
     10.58104     14.26473     18.24006         0.085314      0.149051     -0.138592
     10.68826     16.83707     18.65808        -0.008846     -0.077843     -0.183181
     10.17525     16.76760     19.95387        -0.014889      0.016966     -0.217304
      9.97182     17.92409     20.70994        -0.173729      0.123943      0.434348
     11.04515     18.13922     18.24082         0.047650     -0.255659      0.059960
     10.94241     19.27692     19.07662         0.060079      0.049564     -0.079951
     10.38074     19.24478     20.41684         0.095855     -0.383473     -0.275600
     10.19343     20.36989      0.19684        -0.137812      0.380488      0.145448
      9.61859     20.29671      1.53301        -0.370311      0.116956      0.089598
      9.41807      0.18418      2.33283         0.106967      0.256064     -0.055305
     10.56516      0.46015     21.16966        -0.143231     -0.245481     -0.021799
     10.23724      1.61236      0.63807        -0.065943     -0.125047      0.086691
      9.67258      1.50024      1.91191         0.078426      0.185897      0.192502
      8.99449     19.10946      2.26400         0.014366     -0.232112     -0.333437
     11.50717     20.50212     18.39663         0.377313      0.218738     -0.314136
      7.12369      7.65260     17.48822         0.072806     -0.059082     -0.041363
      7.13621      8.60142     16.46901         0.106784     -0.227792      0.011266
      7.21779      9.96842     16.76349        -0.152157      0.050523     -0.194827
      7.21750      8.04174     18.81605         0.132841     -0.140322     -0.058448
      7.24227      9.40455     19.10500         0.131361     -0.097035      0.114752
      7.23193     10.41030     18.11277         0.115311     -0.002386     -0.282625
      6.85177      6.30224     16.92735         0.047059      0.008245     -0.307709
      7.02535      7.84937     15.17033        -0.083555     -0.070465     -0.429927
      7.23665     11.86399     18.50262         0.098366      0.040234     -0.038952
      7.34757     12.93785     17.58302        -0.140026      0.285029     -0.119478
      7.30195     14.26418     18.03592        -0.030411      0.043868      0.106828
      7.16229     12.22108     19.86493         0.080087      0.102314      0.103358
      7.17759     13.53760     20.32655         0.089343      0.134376     -0.160720
      7.20452     14.56611     19.39449         0.014310     -0.059337     -0.133216
      7.18223     16.03893     19.58290         0.045709      0.242777      0.388921
      7.40701     15.56778     17.30267         0.041327      0.132615     -0.391106
      7.58411     18.03488     18.03145        -0.203027     -0.161664      0.043825
      8.29193     18.42817     16.89300        -0.177773     -0.165363      0.154144
      8.61773     19.76313     16.68960         0.072459      0.122767     -0.102315
      7.20896     19.07269     18.91023         0.191369     -0.064399     -0.168175
      7.43507     20.43955     18.61037         0.057333      0.127651     -0.235711
      8.18775     20.87056     17.43553        -0.011509      0.020270      0.024646
      8.65922      1.00995     16.93658         0.220044      0.094576     -0.029240
      9.24060      1.36097     15.64082         0.276043      0.196182      0.130430
      9.64294      2.68646     15.34368         0.360299      0.190558      0.044476
      8.64148      2.12828     17.80532         0.047005     -0.165739     -0.230837
      9.11758      3.41532     17.52258         0.061874      0.260447     -0.108490
      9.62524      3.76250     16.25859        -0.033098     -0.229759     -0.161096
      9.66861      0.47322     14.44052         0.270768      0.461816      0.553178
      6.83363      0.09306     19.65973         0.040658      0.207577      0.124226
      6.95766     10.87630      6.11428        -0.011843      0.026518      0.123888
      6.80960     11.32676      7.42513         0.018136     -0.135493     -0.118874
      6.89805     12.69196      7.74131        -0.035902     -0.285448      0.109602
      7.25780     11.77196      5.09423        -0.111971     -0.191490      0.148922
      7.36214     13.12442      5.42104        -0.062937     -0.105886     -0.118634
      7.15750     13.64227      6.72219        -0.034556      0.009983      0.062053
      6.92878      9.38853      6.07998        -0.051320      0.280009      0.289374
      6.70038     10.10205      8.29643         0.075180     -0.040664     -0.160168
      7.25689     15.12830      6.95750        -0.052740     -0.016524      0.158977
      7.08373     15.76261      8.21191         0.037644      0.179085      0.202404
      7.21337     17.15966      8.32461         0.093896      0.204794      0.024703
      7.57450     15.98004      5.87761        -0.107258      0.158225     -0.173841
      7.60801     17.36768      5.96081        -0.124234      0.197976      0.188858
      7.42428     17.96431      7.20765         0.009414      0.081141      0.277585
      7.64943     19.39175      7.63622        -0.203318     -0.448506      0.232385
      7.33370     18.04549      9.54348         0.031475      0.030123     -0.442696
      7.62619     20.58333      9.94945         0.012422     -0.005058     -0.137709
      7.15686     20.56257     11.27078         0.042898     -0.008911     -0.210994
      7.03706      0.47249     12.03498         0.050286      0.015267      0.152429
      8.06540      0.60138      9.54390        -0.004278     -0.241787     -0.146201
      8.10273      1.73101     10.40466         0.260008      0.049303     -0.000433
      7.54713      1.76353     11.73955         0.171870     -0.263103     -0.279413
      7.46386      2.93450     12.76308        -0.151781      0.237914      0.460407
      6.90368      2.86304     14.11000        -0.243163     -0.094001      0.108988
      6.74284      4.00829     14.92366         0.017317     -0.024368     -0.176520
      7.90979      4.27929     12.50958        -0.010215     -0.358261     -0.146941
      7.68421      5.42393     13.29199        -0.091607      0.009357      0.345953
      7.08967      5.31254     14.55757         0.079401      0.492107      0.051036
      6.23165      1.65811     14.82672         0.723192      0.083002     -0.696703
      8.89404      2.85776      9.79388         0.373168     -0.038322     -0.213910
      4.11055     11.49388     10.72725         0.105553      0.073639     -0.149004
      3.84720     12.36814      9.67642         0.129079     -0.243864     -0.021539
      3.88849     13.74919      9.84559         0.050616     -0.100293     -0.324131
      4.44350     12.00177     11.97451         0.108469     -0.047957     -0.120969
      4.48588     13.39160     12.14271         0.123496     -0.151661      0.024563
      4.22010     14.30845     11.09869         0.070741      0.035269     -0.232873
      3.85284     10.09499     10.29450         0.010513      0.149410     -0.107169
      3.44340     11.54866      8.49389         0.109400      0.111968      0.095166
      4.29178     15.79646     11.30136         0.063284      0.039549     -0.016173
      4.05840     16.74560     10.27023         0.006769      0.267699     -0.114806
      4.12240     18.12397     10.54037         0.100513      0.059164      0.172464
      4.67458     16.30438     12.56065         0.147550      0.188744     -0.028187
      4.77832     17.66929     12.83006        -0.004072      0.080719     -0.162971
      4.42378     18.57420     11.82899        -0.041149     -0.122350     -0.218284
      4.31668     20.05288     11.86319         0.015698     -0.262722     -0.302531
      4.08932     19.34711      9.64602         0.058974      0.120834     -0.355348
      4.39084      0.65415     10.11614        -0.106067     -0.250323      0.088929
      4.78515      0.97401      8.81733         0.043069      0.006057      0.096773
      5.21133      2.26736      8.49891         0.115085      0.050884     -0.047232
      4.29858      1.76853     10.97360         0.102421     -0.125196     -0.036326
      4.72163      3.08950     10.63342         0.010288      0.181144      0.222736
      5.31861      3.40660      9.33828         0.042489     -0.193375      0.320053
      5.94403      4.76401      8.79108         0.098230      0.073953     -0.149812
      6.46570      5.07031      7.47512         0.006283     -0.060460      0.037626
      6.76989      6.39482      7.04353        -0.034963      0.326107      0.147467
      5.91273      5.94300      9.55645        -0.106024     -0.409739      0.382950
      6.20058      7.24147      9.16178         0.177103      0.587356      0.040354
      6.59055      7.54285      7.85420         0.025921     -0.102057     -0.075208
      6.58939      4.03598      6.37577        -0.183504     -0.185276     -0.065157
      4.39915      4.01341     11.83550        -0.098868     -0.428429      0.223909
      1.02417     14.27253      0.84044         0.064479     -0.098883      0.267901
      1.62188     14.70141      2.02675        -0.052590     -0.154143     -0.112812
      1.63168     16.07958      2.34202        -0.061419      0.006277     -0.027378
      0.60196     15.17921     21.14238        -0.238985     -0.241081     -0.150385
      0.66607     16.53057      0.18103        -0.007544     -0.120796     -0.170467
      1.09796     17.03977      1.42255         0.009264     -0.195596      0.045790
      0.96491     12.79642      0.79240         0.004725     -0.176875      0.244566
      2.23968     13.44403      2.65252        -0.364119     -0.086103     -0.522399
      0.97945     18.53668      1.61617        -0.072977      0.024219      0.110557
      1.32941     19.24777      2.78875         0.047569      0.144509      0.129988
      1.16281     20.64165      2.83668         0.031077      0.031884     -0.099323
      0.48618     19.32505      0.54339        -0.075159      0.256398     -0.198048
      0.29934     20.70653      0.58709         0.088510      0.111911      0.143579
      0.62585      0.09997      1.77038         0.020605     -0.238964     -0.164951
      0.59828      1.54900      2.07185         0.091241     -0.264214      0.205349
      1.59922      0.38503      3.86015        -0.118381      0.056266     -0.341761
      1.39287      2.94328      4.05842        -0.024717      0.018444     -0.144742
      1.96342      2.95311      5.32431        -0.057332      0.145542     -0.197865
      2.09467      4.13789      6.03137         0.161689      0.091683      0.276571
      0.95718      4.20741      3.61449        -0.130086     -0.232489     -0.145174
      1.09652      5.39724      4.37049        -0.289519     -0.170771     -0.336461
      1.75466      5.46113      5.64268        -0.069483     -0.006221     -0.196023
      2.09709      6.71257      6.48543         0.134680      0.055831      0.375797
      2.56568      6.66850      7.83810         0.137053      0.146310     -0.214088
      3.06660      7.76231      8.56984        -0.190235      0.284506     -0.254624
      2.06986      8.07529      6.05757        -0.045636     -0.331738     -0.048116
      2.53601      9.18394      6.77530         0.156864      0.349380      0.038265
      3.07835      9.06700      8.06903        -0.110266     -0.145083      0.073635
      2.83939      5.41114      8.57384        -0.200069     -0.163173      0.028176
      0.37533      6.54398      3.71041        -0.163610      0.195849     -0.224348
      4.69151     14.10003      0.69484        -0.083047     -0.286335     -0.166864
      4.05910     15.00248     -0.15833        -0.027649     -0.200664     -0.023949
      4.05968     16.38804      0.13682         0.020819     -0.004245     -0.069623
      5.38139     14.55601      1.80732        -0.102698      0.036119      0.039905
      5.38960     15.92563      2.07629        -0.087550     -0.220547      0.117449
      4.71586     16.90060      1.30344        -0.131550     -0.104307     -0.114235
      4.53816     12.69256      0.20092        -0.078865     -0.100548     -0.093120
      3.48336     14.15649     19.96415        -0.027791     -0.051936     -0.144837
      4.75520     18.35797      1.77995        -0.047726      0.329366     -0.004883
      4.12961     19.47822      1.15127        -0.006668      0.028225     -0.147146
      4.29564     20.79181      1.64760         0.055601      0.029463     -0.024972
      5.49890     18.68715      2.94466         0.019388      0.203538      0.166439
      5.68379     19.98552      3.44556        -0.137192     -0.075750     -0.054806
      5.07392     21.03886      2.77614        -0.101052      0.139762     -0.123823
      5.14314      1.25156      3.04921        -0.268887     -0.358259     -0.423059
      3.81184      0.88312      1.14907         0.091023     -0.030870      0.064304
      3.99539      3.34221      2.03155         0.016492     -0.075770     -0.065801
      3.07075      3.92112      1.14337         0.349600      0.389540      0.121987
      2.78903      5.30669      1.12670         0.001378      0.276397     -0.181687
      4.49635      4.27702      2.95558         0.098671     -0.022662      0.249814
      4.21045      5.67004      2.88095         0.466006      0.149818      0.221245
      3.41199      6.35088      1.90733         0.033374     -0.294219     -0.105833
      3.16154      7.96160      1.81158        -0.134881     -0.074709     -0.143812
      2.17065      8.56128      0.95889        -0.101939      0.066333      0.077297
      1.80549      9.92353      0.98016        -0.305186      0.185562      0.090679
      3.74959      9.01962      2.60518        -0.126226      0.275842     -0.083966
      3.28776     10.36489      2.72717         0.138140     -0.156958     -0.637687
      2.27962     10.88736      1.89467         0.096798     -0.279097     -0.231886
      1.29244      7.77217      0.01941         0.127156     -0.051908     -0.187343
      4.89270      6.44575      3.96299        -0.059130      0.009034     -0.109248
     18.13788     17.33348     13.56446        -0.088069      0.009599      0.131288
     19.16353     17.81516     14.37319        -0.085213     -0.162892     -0.053277
     19.42846     19.18330     14.47426         0.090243     -0.086436      0.253164
     17.37584     18.21964     12.81075         0.028153     -0.034264      0.105456
     17.63124     19.58991     12.93319        -0.094879     -0.075951     -0.053307
     18.63063     20.12628     13.77577         0.075408      0.017043      0.283307
     18.06862     15.84931     13.67765        -0.050309     -0.194238     -0.039919
     19.83449     16.62648     14.99812         0.068613     -0.090075      0.111218
     18.75459      0.35647     14.00223         0.041344      0.015162      0.156119
     19.74127      0.93838     14.84077         0.076671      0.251643      0.264907
     19.68949      2.30696     15.15291        -0.174509      0.231307      0.058771
     17.79805      1.25011     13.46915        -0.061500      0.142865     -0.109956
     17.78297      2.62654     13.71499         0.145759      0.132502      0.162219
     18.73633      3.15533     14.58108         0.142035     -0.060428      0.137802
     18.95037      4.56012     15.06914         0.095973     -0.260331     -0.015863
     20.47604      3.13286     16.14148         0.166681     -0.055108      0.169755
     20.65210      5.66746     16.63684        -0.447796     -0.172643     -0.022754
      0.69905      5.62655     17.12793        -0.201233     -0.176009     -0.011937
      1.33934      6.79535     17.54835         0.477139     -0.248952      0.189854
     20.00177      6.91329     16.76081         0.782581      0.065821      0.330885
     20.62879      8.03997     17.37515        -0.356432      0.005378      0.120258
      0.77376      8.05757     17.78002        -0.587163      0.246485     -0.057992
      1.64589      9.20297     18.40894        -0.221609     -0.081166      0.040517
      2.96698      9.09654     18.97448         0.232885      0.626120     -0.042753
      3.64149     10.23596     19.53298         0.288484      0.492577      0.605213
      1.13566     10.51557     18.59401        -0.393616     -0.188031     -0.238632
      1.79925     11.62543     19.11324         0.827920     -0.039842      0.244990
      3.10730     11.54897     19.62580        -0.387952     -0.302877     -0.202914
      4.02474      7.99211     18.87403        -0.076125     -0.566541     -0.300120
     19.59621      9.14422     17.62084        -0.143607      0.006618     -0.080229
      1.99099     18.17754     14.10965        -0.018435      0.259521      0.001521
      1.26456     19.12418     13.39338         0.008496     -0.064280      0.059208
      1.36454     20.48516     13.70242        -0.406333     -0.062479     -0.259919
      2.90816     18.59826     15.06773         0.005941     -0.044562      0.001831
      3.06435     19.96555     15.30893        -0.266223     -0.123267      0.187890
      2.24329     20.94481     14.71193        -0.246742      0.320299     -0.347717
      1.68203     16.82304     13.60784        -0.216175     -0.172689      0.040801
      0.47380     18.38928     12.34831        -0.042751     -0.068055      0.174250
      2.38314      1.15639     15.01562        -0.072181      0.068152     -0.080219
      1.74620      2.16441     14.24978        -0.180152      0.264947     -0.063828
      2.00479      3.51853     14.49268         0.196821      0.013324      0.265069
      3.23223      1.61051     16.04457        -0.167234      0.075217      0.215988
      3.57319      2.95454     16.24167        -0.394100      0.284648     -0.151355
      2.96951      3.91115     15.42647        -0.046923     -0.072875     -0.073910
      3.17464      5.38983     15.30251        -0.761977     -0.485127     -0.205477
      1.40895      4.75558     13.91399        -0.935495      0.432435     -0.734218
      1.65092      7.27940     14.48147        -0.186712     -0.361236     -0.366814
      0.35703      7.54580     14.01988         0.192520      0.113537      0.045022
     21.06416      8.82168     14.12471        -0.158277      0.097579     -0.018698
      2.35704      8.39816     14.97110        -0.135865     -0.217065     -0.017895
      1.79284      9.70028     15.03331         0.096859      0.196810      0.069428
      0.42361      9.99870     14.60436         0.146784     -0.099374     -0.089478
     20.89243     11.34649     14.57282        -0.165165      0.293287      0.123322
     19.52296     11.65580     14.14618         0.069777     -0.064097     -0.016626
     18.99696     12.96273     14.14802         0.109264      0.334167      0.049684
      0.28093     12.54480     14.94679         0.123079     -0.059108      0.133664
     -0.25672     13.83504     15.03955        -0.069054     -0.027309      0.067576
     19.69646     14.08852     14.61243         0.032974      0.257094      0.005040
     18.47303     10.70857     13.59883        -0.235772     -0.593209     -0.137367
      2.84328     10.69007     15.55041        -0.055733      0.134396      0.034491
     16.09533      0.42162      5.22860         0.184605      0.026493      0.033678
     16.87356      0.86387      6.29730        -0.014102     -0.076549     -0.107968
     16.95165      2.22944      6.62141         0.038096     -0.159283      0.111517
     15.33395      1.32324      4.50945         0.204994     -0.144017      0.057067
     15.40141      2.67312      4.84663         0.043143     -0.122898     -0.125979
     16.22010      3.18803      5.86708         0.012919     -0.076552      0.088264
     16.35669     20.24411      4.94501         0.140159     -0.045359      0.009987
     17.57467     20.91066      6.84246        -0.055362     -0.164563      0.051271
     16.26493      4.68089      6.08114         0.014389      0.007637      0.182524
     17.07453      5.30653      7.05540         0.015365      0.118059      0.314165
     17.01144      6.69440      7.25688        -0.166611      0.158727      0.081746
     15.43978      5.54641      5.32518        -0.096281      0.196375     -0.033002
     15.41833      6.93471      5.47919         0.158484      0.107967      0.169994
     16.22538      7.51588      6.45043         0.086675     -0.121922      0.144600
     16.41328      8.94795      6.84266         0.184319     -0.354986      0.094831
     17.59112      7.56262      8.33885        -0.373967      0.118517     -0.291794
     17.75063     10.11900      8.69130         0.071699     -0.034409     -0.022063
     18.81463     10.01395      9.59073        -0.196171     -0.049966     -0.096338
     19.41011     11.14714     10.14180         0.072075      0.138337      0.260279
     17.31238     11.44176      8.46457        -0.045373     -0.311976     -0.090300
     17.84592     12.56851      9.13502        -0.078498     -0.006953      0.112419
     18.97517     12.48596     10.04151        -0.174755     -0.304212     -0.039192
     19.73450     13.57788     10.82120         0.106007      0.129759     -0.020763
     21.00952     13.45516     11.50577         0.453918      0.016591      0.188643
      0.41643     14.57807     12.03109        -0.106149      0.188047      0.145421
     19.25458     14.91658     10.89200         0.037390     -0.134079     -0.124754
     19.95370     16.04329     11.35223         0.087488     -0.166600      0.078355
     21.19787     15.88837     11.96528         0.204784      0.177411      0.101445
      0.73773     12.27692     11.64924        -0.360485     -0.104351     -0.332088
     17.06485     13.81742      8.80132        -0.294156      0.315624     -0.034543
     20.40436      1.32399      6.09831        -0.080988      0.202245      0.330879
     19.83046      2.38025      5.38723        -0.075383     -0.106816      0.028754
     19.83629      3.68380      5.85686        -0.169222      0.037153     -0.272567
     20.91635      1.57090      7.37194        -0.100028     -0.042342      0.046018
     20.87430      2.88303      7.86892        -0.054683     -0.095141      0.009293
     20.37535      3.98508      7.12654        -0.118609     -0.039741      0.061659
     20.22415      0.06295      5.32102         0.052606      0.303072      0.060769
     19.14543      1.82108      4.17937         0.275873     -0.048475      0.375675
     20.44181      5.40587      7.60617        -0.123931     -0.101945      0.208467
     20.06078      6.45077      6.75176        -0.146562      0.245746      0.026287
     20.33100      7.77877      7.07388         0.038741      0.092599      0.312598
     -0.32373      5.78023      8.87614        -0.064976      0.030508      0.013716
      0.04912      7.09567      9.17822        -0.220335      0.192804     -0.324245
     21.02476      8.09402      8.23918        -0.158110     -0.114911     -0.052586
      0.07425      9.54802      8.22411        -0.941562     -0.724588     -0.844499
     20.02613      9.04909      6.34218         0.125110     -0.030492      0.467735
     20.44229     11.52434      6.83301        -0.053923     -0.129406     -0.042975
     19.54169     11.93073      5.84223         0.109338     -0.160967      0.093926
     19.22068     13.26976      5.64574        -0.124764      0.053061     -0.160710
     21.02523     12.58209      7.55649        -0.062040     -0.129931     -0.088391
     20.74315     13.94223      7.28816         0.214567      0.003929      0.067043
     19.77034     14.38822      6.31057         0.200619     -0.043625      0.118386
     19.26611     15.81726      6.02257        -0.048387      0.253497     -0.096698
     18.42996     16.26457      4.93018         0.035162      0.040701     -0.039472
     17.90803     17.57825      4.86341        -0.003478      0.196813      0.025605
     19.52428     16.89947      6.91154         0.130798     -0.162697      0.092578
     18.92468     18.15834      6.91017        -0.097019      0.122032     -0.040305
     18.03914     18.52872      5.89222        -0.018900      0.180743     -0.003281
     17.85517     15.38568      3.82859         0.082665     -0.055906     -0.215599
      0.40733     14.84986      8.06802         0.303346      0.181517     -0.004786
     12.64143      5.23372      4.06475        -0.024129      0.068620      0.158987
     13.07834      3.75013     20.57484         0.100399      0.082010     -0.084658
     12.91745      6.13038     21.11653         0.051623      0.213094     -0.289309
     12.73561      7.45488      4.41192         0.019331     -0.188365      0.051174
     13.17691      7.90137      0.13979         0.062099     -0.077791     -0.334997
     13.52323     10.30847      0.39838         0.040052     -0.022265     -0.053395
     13.18556     13.50978      8.57056         0.075966     -0.101981      0.035881
     13.21648     11.62286      7.10236        -0.086558      0.017996      0.297214
     14.33823     14.16066      3.86909        -0.093461     -0.002066      0.134044
     12.94379     17.16855     11.43474        -0.020590     -0.111062      0.097789
     14.93209     17.59889      7.02959         0.084221     -0.168848      0.043139
     14.82589     19.51624      8.45218         0.132631     -0.329877     -0.130927
      9.99309      6.87415      3.25721        -0.140842      0.103627     -0.158650
      9.67835      3.50785      6.89201         0.145378      0.009612      0.068675
      9.74361      5.87747      7.45913         0.185317      0.068378      0.188905
     10.18862      8.83052      3.78247        -0.024660     -0.076637     -0.244442
      9.77518      7.71098      7.93667         0.019467     -0.138637      0.110814
      9.91195     10.06742      8.61234         0.049729     -0.041761      0.026096
     12.20657     15.82853      2.47434        -0.065958     -0.013013     -0.146331
     11.40576     13.62823      2.97570         0.165208      0.205674     -0.106910
     10.39077     14.94383      6.90880        -0.066277      0.049680     -0.165839
     13.19548     20.25637      1.13062         0.036159     -0.014285      0.122097
     11.60410     19.19440      5.58739         0.023599      0.117529      0.034503
     12.03679      0.20140      5.05855        -0.144531     -0.137466      0.067477
     10.13903      9.18367     17.32761         0.025449      0.001566      0.296339
     10.32143      7.75069     12.55745         0.139135      0.063030      0.058999
     10.24567     10.11226     13.13221         0.072432      0.261786     -0.316535
     10.18511     11.40183     17.71092         0.135595     -0.164313      0.206303
     10.52170     11.97583     13.44263         0.060884     -0.149268     -0.255646
     10.76038     14.38192     13.76017         0.037638     -0.086887     -0.065000
      9.45934     17.75309      0.38240         0.024377     -0.142402      0.011255
      9.94322     15.78973     20.36539        -0.225743      0.078434      0.192816
     11.39124     18.28697     17.21946         0.074370     -0.057528      0.166219
      9.08661      0.05514      3.35535        -0.159114      0.006712     -0.067385
     11.17963      0.65778     20.31224        -0.050325      0.031459     -0.229486
     10.42563      2.60642      0.23411         0.231605     -0.123773     -0.129462
      7.25623     10.69425     15.95263        -0.120803     -0.005169     -0.120995
      7.16412      7.29574     19.61039         0.167975      0.069471     -0.020134
      7.20778      9.67107     20.15677         0.156364      0.077613      0.114298
      7.48475     12.76093     16.52198        -0.083836     -0.066358     -0.248299
      7.05311     11.45971     20.62452         0.101931     -0.201290      0.127564
      7.15173     13.75483      0.13191         0.076998     -0.044274      0.014367
      9.31286     19.94752     15.89346         0.079619     -0.170887     -0.127156
      8.62808     17.67743     16.18758         0.171023      0.049808     -0.133286
      6.81018     18.82033     19.89306        -0.212477      0.009231     -0.291766
      9.97693      2.83951     14.31765         0.152665      0.307726      0.325666
      8.26598      1.98114     18.80743        -0.029689      0.106319      0.104234
      9.07379      4.18301     18.28469        -0.101571     -0.014401      0.274387
      6.80914     12.99512      8.77967        -0.044818      0.079634      0.184241
      7.47475     11.40461      4.08880        -0.107824      0.103303     -0.034456
      7.68403     13.77896      4.62021        -0.118201      0.188052     -0.148752
      6.89879     15.18429      9.11200        -0.017158     -0.128334      0.175922
      7.88665     15.55530      4.93224        -0.161351     -0.086263     -0.260158
      7.89197     17.96525      5.09714        -0.061807     -0.009310     -0.006111
      6.47611      0.32013     12.93763         0.106067     -0.051085      0.079291
      6.84359     19.60491     11.67676        -0.099822      0.094418      0.257883
      8.37135      0.74082      8.50840         0.149611     -0.089136      0.158002
      6.32380      3.90165     15.90631        -0.121406     -0.164843      0.271091
      8.49582      4.49553     11.63110        -0.101613     -0.096125     -0.170027
      7.94062      6.42720     12.93731         0.206531     -0.319928     -0.193065
      3.59827     14.37198      9.00805         0.111040      0.154681     -0.172757
      4.60246     11.32365     12.80999         0.149904      0.086424     -0.043174
      4.69376     13.75015     13.14475         0.089402      0.090340      0.144407
      3.85582     16.42229      9.25604        -0.116277     -0.069246     -0.251105
      4.89512     15.61562     13.36898         0.134339     -0.027185      0.084309
      5.15593     18.00754     13.79536        -0.103788      0.039592     -0.029036
      5.49061      2.35129      7.47119         0.103757     -0.045836     -0.143740
      4.79657      0.18556      8.06853         0.075649      0.166079     -0.225522
      3.96310      1.60237     11.99249        -0.084936     -0.018305     -0.144894
      7.09275      6.55108      6.01764         0.021120     -0.149838      0.140615
      5.52561      5.86949     10.54892         0.130438      0.152542      0.203729
      6.09656      8.06179      9.87518        -0.101267     -0.304870      0.072343
      2.06673     16.43171      3.26943         0.111363     -0.044007      0.334200
      0.26714     14.83710     20.16137        -0.125784      0.030378      0.061139
      0.38961     17.20681     20.64189        -0.171776      0.005873     -0.085149
      1.76326     18.74364      3.64651         0.036058     -0.110379      0.204169
      0.25873     18.87376     20.84713        -0.101984     -0.130960     -0.141083
     -0.02145      0.02049     20.96852        -0.064117     -0.181993      0.126441
      2.48839      3.92455      6.99513         0.103481      0.037912     -0.061468
      2.29050      2.01813      5.75940         0.101561      0.031502      0.277220
      0.45708      4.26986      2.65185        -0.008414     -0.040618      0.138219
      3.41916      7.59644      9.57557        -0.023858      0.091870      0.042788
      1.66446      8.32587      5.09519        -0.029992      0.009512     -0.377530
      2.45710     10.19182      6.35994        -0.056835     -0.263477     -0.238394
      3.54071     17.07083     20.73029        -0.081863      0.103255     -0.198356
      5.87913     13.84257      2.46581         0.043010      0.073840      0.065670
      5.93308     16.22053      2.96090         0.127637      0.113088      0.243797
      3.51274     19.32801      0.26974        -0.041190      0.037551     -0.219978
      6.03829     17.91449      3.47639        -0.017786     -0.163678      0.124380
      6.33034     20.17603      4.30916        -0.156996     -0.098507     -0.043919
      1.95116      5.52020      0.48517         0.227992      0.045014     -0.242229
      2.53540      3.27606      0.46684        -0.306902     -0.022181     -0.336943
      5.06715      3.90754      3.81537        -0.019135      0.256501     -0.423431
      1.07537     10.23356      0.24691        -0.152726      0.040045      0.043337
      4.62140      8.87474      3.22766         0.073421     -0.233737     -0.197860
      3.80722     11.06723      3.37092         0.244560     -0.193451      0.311456
     20.26031     19.49462     15.10066        -0.009494      0.120563      0.187303
     16.60332     17.84964     12.13877        -0.130380      0.025118     -0.037449
     17.00161     20.25371     12.35130        -0.062986      0.150721     -0.133569
     20.55826      0.35147     15.25479        -0.052847     -0.152449      0.193066
     17.00888      0.87686     12.83195        -0.217156     -0.186438     -0.182338
     17.02568      3.27234     13.27122        -0.058707     -0.025095     -0.067681
      2.40054      6.66473     17.70724        -0.289641      0.006853      0.087000
      1.21948      4.66590     17.16874         0.099050      0.272561     -0.061836
     19.00238      7.04810     16.37315        -0.156524     -0.122580      0.065810
      4.61575     10.04384     19.99942        -0.327807      0.231186     -0.282381
      0.10989     10.71089     18.31325         0.050420      0.060775     -0.103730
      1.32861     12.58900     19.14225        -0.601242      0.295368     -0.157020
      0.75060     21.18835     13.14182        -0.033846      0.042585     -0.079461
      3.54023     17.86967     15.57047         0.035512     -0.047726      0.140562
      3.87620     20.27489     15.95137         0.148593      0.061615      0.350278
      1.04419      1.91601     13.46228        -0.141094     -0.068471     -0.207105
      3.72518      0.88540     16.67950         0.039576     -0.158853      0.212382
      4.31735      3.23398     16.98557        -0.126444      0.036372      0.102525
     20.03939      8.86899     13.80774        -0.238866      0.043789     -0.105123
     21.04647      6.72512     13.59107        -0.247333      0.192145      0.023332
      3.35880      8.23714     15.37182        -0.172309      0.101678     -0.186904
     18.02666     13.13219     13.69247        -0.031758     -0.064669      0.219671
      1.33834     12.50459     15.12957         0.072426      0.084202      0.204328
      0.36091     14.65528     15.40071         0.139614     -0.182084     -0.068230
     17.62415      2.54552      7.41273         0.036194      0.010513      0.245068
     14.73341      0.96090      3.68413         0.058393      0.064644     -0.085792
     14.80239      3.34999      4.25762        -0.013058      0.184592     -0.143003
     17.77117      4.71991      7.64637        -0.054563     -0.077735      0.272220
     14.75863      5.14554      4.58630        -0.031654     -0.138587     -0.151581
     14.75089      7.56233      4.89410         0.128989     -0.108740     -0.112930
     20.29398     10.94567     10.72046        -0.191839     -0.103114      0.021900
     19.17843      9.02061      9.83963         0.182357      0.121382      0.155556
     16.55340     11.60326      7.70332        -0.065918      0.012675      0.201714
      1.35765     14.42650     12.54035        -0.004936      0.040211     -0.053197
     18.25874     15.12389     10.53635        -0.142115      0.026703     -0.125489
     19.57818     17.04803     11.18958        -0.374026     -0.008692      0.034726
     19.39657      4.43989      5.20788        -0.048050      0.072684      0.062276
      0.03541      0.74594      7.98515         0.041302      0.160242     -0.054648
      0.01179      3.04852      8.86465         0.014602      0.021425      0.164636
     19.60200      6.23472      5.80483        -0.282481     -0.067632     -0.131904
     -0.15099      5.01514      9.62281         0.010112     -0.045207      0.182236
      0.60122      7.31793     10.08816        -0.171296      0.064543      0.229842
     18.44351     13.40524      4.91995        -0.105691      0.056183     -0.110574
     19.06747     11.15402      5.25434        -0.227194      0.196056     -0.220796
      0.44966     12.34883      8.36594         0.042395      0.028579     -0.217161
     17.25062     17.82321      4.03826         0.074182     -0.015869     -0.106670
     20.22877     16.77081      7.71408        -0.101000     -0.061521      0.049606
     19.14187     18.87803      7.69674         0.163750     -0.199693      0.093698
     13.90526     19.28633     10.77783        -0.024605      0.081194     -0.057016
     19.02156     21.01894      3.56347         0.289949      0.343895      0.164190
     12.77368      1.20958      2.63715         0.013033     -0.198658      0.213771
     13.64757     11.56935      4.45932         0.002202      0.298807      0.184474
      9.52454      2.62850      2.81047         0.125074     -0.241803     -0.080912
     10.47752     12.73361      5.34821         0.125667     -0.012889     -0.163357
      9.99733      5.13793     15.89720        -0.025980     -0.015972      0.291919
     10.73484     15.65564     17.79863         0.003764     -0.222067      0.119700
      6.95465      6.43409     15.48535         0.220766     -0.255534      0.033720
      7.33254     16.62657     18.29403         0.156946      0.133721     -0.249576
      6.72278      8.93834      7.41695        -0.052654     -0.335757      0.365604
      7.58453     19.39736      9.07925        -0.137131      0.415276      0.341513
      3.50220     10.17093      8.88563        -0.012938     -0.339996     -0.059165
      4.16776     20.51980     10.52458         0.014376      0.184838     -0.371967
      1.85674     12.29343      1.81354        -0.212158     -0.082961     -0.153499
      1.21082      1.70148      3.35348         0.084165      0.218758      0.199522
      3.72066     12.73725     20.28529        -0.047810     -0.262214      0.136730
      4.30081      1.90401      2.07278        -0.057750      0.260874      0.050092
     19.17723     15.44330     14.49875         0.150482     -0.091952      0.066617
     20.02752      4.50121     16.01229         0.185624      0.241894      0.115324
      0.67838     16.97366     12.57805         0.054613      0.045421      0.042994
      2.11247      5.89824     14.48979        -0.301952     -0.078960     -0.188405
     17.34024     19.81216      5.89733         0.318702     -0.166704      0.119635
     17.23722      8.93978      8.00913         0.279089      0.246417      0.308470
     19.44234      0.44436      4.20616        -0.145535     -0.322356     -0.193235
     20.67238     10.11498      7.07757        -0.305942      0.314511     -0.156635
     12.41249      2.27471      4.72817        -0.015724      0.111607     -0.341878
     13.55585      1.02246      0.40270        -0.092310     -0.008555      0.103074
     13.26308      9.83524      6.03362        -0.143905     -0.081438      0.205356
     13.84297     12.58489      2.31399         0.074074      0.212748      0.095702
      9.65972      4.47364      1.33061        -0.007737     -0.056716      0.101150
      9.29268      1.48504      4.88123        -0.007586     -0.558565      0.241645
     10.38369     11.72529      3.19908         0.007894     -0.080234      0.465800
     10.16604     12.90596      7.69651         0.037092     -0.013329     -0.145465
      9.89969      6.21650     18.01746         0.123248      0.067160     -0.832429
     10.78716      4.89778     13.65961        -0.720795      0.968500      1.337084
     10.49369     13.90406     19.39925         0.026204     -0.034418      0.064345
     11.00635     16.63317     15.65949         0.021848      0.238868     -0.028530
      6.96985      8.31394     14.03924         0.114795     -0.142271      0.214064
      6.54541      5.29587     17.54664         0.254494      0.058998     -0.135022
      7.55052     15.73502     16.09483        -0.166948     -0.055397      0.458294
      7.06577     16.64895     20.64372         0.063120     -0.166961     -0.463862
      6.66229     10.07278      9.51699         0.089320     -0.003348     -0.110688
      7.11163      8.68978      5.09994        -0.021322     -0.226081     -0.077042
      7.27918     17.70172     10.70887         0.074579     -0.065139      0.240467
      7.87074     20.34733      6.91758        -0.115485      0.232738      0.062425
      3.11507     11.95362      7.39195         0.008292      0.075929     -0.261331
      3.89163      9.08858     10.98551        -0.024061      0.084680     -0.193168
      4.09652     19.37656      8.41870        -0.162493     -0.004267      0.736911
      4.31240     20.74818     12.86113         0.093030      0.169455      0.044570
      2.96747     13.36960      3.61235         0.326094     -0.083561      0.601311
      0.23253     12.15039      0.05662         0.130507     -0.046248      0.178473
      2.20340      0.16868      4.89116         0.174722     -0.054683      0.160801
      0.14363      2.43512      1.37340        -0.092879      0.326678     -0.098239
      2.96540     14.54043     18.93141        -0.074354     -0.017791      0.088374
      5.04271     11.68502      0.69019        -0.219285      0.227387     -0.135889
      3.14364      1.11312      0.15686        -0.027975      0.021274     -0.050904
      5.80914      1.78562      3.91098         0.159590      0.338775      0.177891
     -0.48783     16.63527     15.78571        -0.094537      0.055069     -0.020880
     17.23673     15.10691     13.17746         0.055169      0.097365      0.130468
      0.04423      2.73483     16.95186        -0.244806      0.132910     -0.196813
     18.34884      5.56589     14.72987        -0.006768     -0.010781      0.016495
     21.05904     18.86736     11.45295        -0.147850     -0.037101     -0.134036
      2.18045     15.77249     13.99063        -0.166092      0.065963     -0.065752
      0.45881      4.82142     13.11799         1.024302     -0.115863      0.793148
      4.06698      6.06294     15.76208         0.608856      0.513905      0.444000
     18.18360     20.81856      7.89624         0.042808     -0.002321     -0.151509
     15.87014     19.57273      4.04495         0.178733      0.032082      0.123217
     18.15887      7.19268      9.34676         0.062111     -0.010951      0.287110
     15.99289      9.93864      6.27333         0.079086      0.187463     -0.066399
     18.43860      2.39333      3.37173        -0.169496      0.064940     -0.346948
     20.66545     20.20324      5.53893        -0.185713      0.007561     -0.050435
     19.32573      9.17776      5.35383        -0.133452      0.034424     -0.080371
      0.74912     10.15197      9.01202         0.526735      0.741719      0.882787
     13.96008     17.50109      5.29621        -0.033276      0.068981      0.111078
     15.87939     16.52590      5.61616        -0.176961      0.007294      0.060979
     14.74503     16.21132      3.75440        -0.048131      0.003631      0.466143
     11.96367     15.38551     11.47237        -0.041761     -0.060108     -0.103712
     11.43194     14.60305      9.51597        -0.038452     -0.071419     -0.053168
     13.25107     13.90226     10.55713         0.031042      0.002930     -0.049372
     11.92691     17.97588      7.26287        -0.045150      0.040967     -0.116559
      9.98058     18.47868      6.43817         0.020481     -0.027056     -0.016829
     10.19779     16.78834      7.80632         0.061402      0.125014     -0.172378
     13.16372     18.53528      0.09110         0.104629     -0.173645      0.158659
     14.07912     17.08849      1.44525         0.001539      0.077120     -0.011849
     11.97809     16.89628      0.87202         0.130984      0.078727      0.092899
     10.68923      0.33979     18.43907         0.203489     -0.083804      0.005890
     12.70192     -0.36842     18.95171        -0.018586     -0.048690      0.058130
     11.75798     20.32605     17.05673         0.113801     -0.065882      0.374899
      8.72078     19.37025      3.58166        -0.098099     -0.075802     -0.111939
      7.79756     18.77319      1.67607         0.154707      0.019664     -0.164356
      9.70586     17.94388      2.31612         0.059096     -0.018068     -0.115434
      7.78207      0.78101     20.37954        -0.068972      0.054095     -0.021890
      5.98441      1.03302     19.14072         0.053204     -0.054071     -0.145527
      6.11136     20.68118     20.61429         0.004859      0.079104     -0.248255
      9.74155      1.17032     13.25977         0.430520     -0.073287      0.220222
     10.93434     21.23253     14.67608        -0.099806      0.103732     -0.164373
      8.89114     20.68700     14.15246        -0.258292     -0.903765     -0.450854
      8.23417      4.05243      9.72769         0.168055      0.027115     -0.155260
     10.06870      3.11062     10.45875        -0.093712     -0.077633      0.201517
      9.27043      2.58793      8.50091         0.116083     -0.031523      0.387477
      6.04214      1.89405     16.14555        -0.105385      0.020396      0.370348
      5.04437      1.39984     14.25361        -0.361628      0.000814      0.027540
      6.85609      0.43573     14.82068         0.131432      0.161426      0.048969
      5.25409      5.04140     12.08515        -0.312003     -0.057271      0.045948
      3.13733      4.55405     11.81288         0.023972     -0.170564     -0.123797
      4.38912      3.29900     13.00611         0.177088      0.247142     -0.283161
      7.18147      4.51771      5.24929        -0.083446     -0.234410      0.010346
      7.30625      2.92504      6.71686         0.114241      0.071731      0.118510
      5.34808      3.55298      5.98651         0.277399      0.039736      0.064276
     -0.50280      7.23159      4.48229         0.014054     -0.007428      0.088852
      1.22863      7.52239      3.28485        -0.092824     -0.128056     -0.279572
     -0.38588      6.13281      2.66061        -0.041607      0.020395      0.127604
      3.27210      5.64916      9.81895         0.059067     -0.032174      0.256354
      1.84908      4.46535      8.76013         0.111905      0.147303     -0.038867
      3.82031      4.77476      7.88792         0.007002     -0.144988     -0.074779
      6.06935      6.98307      3.48658        -0.252941     -0.075212      0.132489
      4.12891      7.44204      4.48964         0.015294      0.193800      0.074433
      5.16573      5.70773      5.05203        -0.136818      0.017503     -0.209794
      0.40602      8.53698     20.59124        -0.045374     -0.086077     -0.077256
      2.02691      7.03562     -0.90566        -0.584464      0.385690      0.431192
      0.51218      6.88092      0.66051        -0.316295     -0.343422      0.080395
     19.41403      9.40622     18.94875         0.202265     -0.031130      0.142649
     19.91684     10.34139     17.02928        -0.103112      0.014688     -0.029753
     18.34411      8.84201     17.14151         0.273656      0.031754      0.139567
      4.86943      8.04115     19.94971        -0.019786      0.070543     -0.000479
      3.81436      6.63497     18.76446        -0.238451      0.332197      0.306339
      4.68203      8.27768     17.70393         0.191078      0.047150      0.209927
      3.37784     11.43457     14.52417        -0.024789      0.010734     -0.050751
      2.41632     11.61219     16.46425         0.063178     -0.172692     -0.068128
      3.90928     10.08161     16.15378        -0.124616      0.215800     -0.308120
     17.35461     11.34141     13.11096         0.190390     -0.290172      0.164610
     18.91216      9.93902     12.54103        -0.087144      0.062255      0.246082
     18.01971      9.82588     14.54803         0.072788      0.096308     -0.066247
     16.24975     14.22674      9.84163         0.267268     -0.160242     -0.040857
     17.83421     14.89719      8.47516         0.102546      0.078870      0.002491
     16.23173     13.65173      7.73143         0.218117      0.004585      0.085284
      1.73960     12.50926     12.55064        -0.153101     -0.013458     -0.244993
      0.27276     11.04531     12.02635        -0.056318      0.096680     -0.126268
      1.33158     12.09116     10.44043         0.061639     -0.005134      0.094893
      1.16580     15.63479      7.23124        -0.071625      0.007233     -0.007791
     21.05357     15.70489      8.94842         0.172339     -0.038310     -0.091303
      1.29484     14.17184      8.85953        -0.044856      0.217490     -0.369421
     17.18148     16.08665      2.87463         0.289037     -0.052660     -0.059437
     18.78296     14.64637      3.14453         0.273637      0.077535     -0.022334
     16.94249     14.47273      4.32659         0.021568      0.074473     -0.175327
 -----------------------------------------------------------------------------------
    total drift:                               -0.007877      0.009011     -0.008347


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4564.4650632311 eV

  energy  without entropy=    -4564.6143352295  energy(sigma->0) =    -4564.51482056
 
 d Force = 0.1180425E+01[ 0.583E+00, 0.178E+01]  d Energy = 0.1183288E+01-0.286E-02
 d Force = 0.1197497E+04[ 0.119E+04, 0.120E+04]  d Ewald  = 0.1197514E+04-0.171E-01


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -1.183288  1 .order   -1.180425   -1.777746   -0.583104
  (g-gl).g = 0.656E+01      g.g   = 0.656E+01  gl.gl    = 0.641E+01
 g(Force)  = 0.656E+01   g(Stress)= 0.000E+00 ortho     =-0.774E-02
 gamma     =   1.02219
 trial     =   0.27120
 opt step  =   0.40357  (harmonic =   0.40357) maximal distance =0.06307156
 next E    = -4564.604506   (d E  =  -1.32273)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   45(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.1861553E+00  (-0.1526957E+02)
 number of electron    2497.9999889 magnetization 
 augmentation part      162.7318947 magnetization 

  free energy =  -0.456427889999E+04  energy without entropy=  -0.456442811381E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   45(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) :-0.3332481E+00  (-0.3962481E+00)
 number of electron    2497.9999889 magnetization 
 augmentation part      162.7832771 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8603
  0.8603

  free energy =  -0.456461214813E+04  energy without entropy=  -0.456476169435E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   45(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3688
 total energy-change (2. order) : 0.9926621E-02  (-0.7435081E-02)
 number of electron    2497.9999889 magnetization 
 augmentation part      162.7545773 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4146
  1.0878  1.7415

  free energy =  -0.456460222151E+04  energy without entropy=  -0.456475162397E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   45(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) :-0.2230401E-02  (-0.6088138E-02)
 number of electron    2497.9999889 magnetization 
 augmentation part      162.7340377 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2783
  2.1777  0.8891  0.7680

  free energy =  -0.456460445191E+04  energy without entropy=  -0.456475405507E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   45(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3640
 total energy-change (2. order) :-0.6757506E-03  (-0.1254587E-02)
 number of electron    2497.9999889 magnetization 
 augmentation part      162.7370307 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3324
  2.3723  1.0290  1.0290  0.8993

  free energy =  -0.456460512766E+04  energy without entropy=  -0.456475468224E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   45(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) : 0.5130269E-03  (-0.8091118E-03)
 number of electron    2497.9999889 magnetization 
 augmentation part      162.7395956 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2864
  2.3788  1.0680  1.0680  0.9587  0.9587

  free energy =  -0.456460461463E+04  energy without entropy=  -0.456475415706E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   45(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3640
 total energy-change (2. order) :-0.2835068E-04  (-0.1142015E-03)
 number of electron    2497.9999889 magnetization 
 augmentation part      162.7426758 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2829
  2.4420  1.0101  1.0101  1.2059  1.2059  0.8232

  free energy =  -0.456460464298E+04  energy without entropy=  -0.456475416651E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   45(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) : 0.1098600E-04  (-0.2195572E-04)
 number of electron    2497.9999889 magnetization 
 augmentation part      162.7428193 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2735
  2.4750  1.0238  1.0238  1.2676  1.2676  0.9283  0.9283

  free energy =  -0.456460463200E+04  energy without entropy=  -0.456475416150E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   45(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3032
 total energy-change (2. order) :-0.1410072E-04  (-0.5861272E-05)
 number of electron    2497.9999889 magnetization 
 augmentation part      162.7420074 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2801
  2.5617  1.7489  1.0216  1.0216  1.1878  0.9411  0.9411  0.8167

  free energy =  -0.456460464610E+04  energy without entropy=  -0.456475417277E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   45(  10)  ---------------------------------------



 eigenvalue-minimisations  :  2192
 total energy-change (2. order) :-0.8354167E-05  (-0.6578815E-06)
 number of electron    2497.9999889 magnetization 
 augmentation part      162.7420074 magnetization 

  free energy =  -0.456460465445E+04  energy without entropy=  -0.456475418792E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0070       2 -56.1518       3 -56.0540       4 -55.7842       5 -55.7761
       6 -56.2805       7 -58.1359       8 -58.2790       9 -56.2546      10 -55.9414
      11 -55.9910      12 -55.7630      13 -55.7592      14 -55.9274      15 -58.0905
      16 -58.0839      17 -56.3107      18 -54.9291      19 -54.8807      20 -55.1316
      21 -55.6468      22 -55.6644      23 -55.7442      24 -55.6358      25 -54.9526
      26 -54.8447      27 -54.9598      28 -54.9176      29 -60.3886      30 -60.3486
      31 -55.6201      32 -55.8268      33 -55.7151      34 -55.2542      35 -55.4690
      36 -55.9630      37 -57.8441      38 -58.0467      39 -56.0697      40 -55.7862
      41 -55.9382      42 -55.7074      43 -55.7510      44 -55.8991      45 -58.1109
      46 -58.1788      47 -56.4618      48 -55.1447      49 -54.9892      50 -55.3046
      51 -55.9276      52 -55.8936      53 -55.8085      54 -55.7614      55 -55.1296
      56 -54.8706      57 -55.0070      58 -56.3549      59 -60.3391      60 -60.6164
      61 -55.9752      62 -56.0405      63 -55.9144      64 -55.7576      65 -55.7123
      66 -56.2100      67 -58.0358      68 -58.1881      69 -56.2305      70 -55.8904
      71 -56.0208      72 -55.7101      73 -55.6631      74 -55.8937      75 -58.0672
      76 -58.2202      77 -56.4702      78 -55.1031      79 -55.0311      80 -55.2945
      81 -55.8539      82 -55.8887      83 -55.9731      84 -55.9661      85 -55.1903
      86 -55.1283      87 -55.2158      88 -56.4608      89 -60.7401      90 -60.4128
      91 -55.6892      92 -55.8203      93 -55.7114      94 -55.4571      95 -55.5259
      96 -56.0163      97 -57.8942      98 -57.9924      99 -56.1293     100 -55.8865
     101 -56.0248     102 -55.6287     103 -55.6949     104 -55.9284     105 -58.1217
     106 -58.2554     107 -56.5042     108 -55.1589     109 -54.9873     110 -55.4103
     111 -55.9538     112 -55.8617     113 -55.8116     114 -55.7864     115 -55.1400
     116 -54.9444     117 -55.0340     118 -56.3965     119 -60.4693     120 -60.6038
     121 -55.8915     122 -55.9801     123 -55.8384     124 -55.7249     125 -55.7276
     126 -56.1268     127 -58.0501     128 -58.2363     129 -56.0336     130 -55.7166
     131 -55.8239     132 -55.5783     133 -55.5346     134 -55.7572     135 -57.9354
     136 -58.0423     137 -56.4256     138 -55.0958     139 -54.9837     140 -55.2462
     141 -55.8288     142 -55.8934     143 -55.9709     144 -55.9214     145 -55.1563
     146 -55.1480     147 -55.2077     148 -56.4260     149 -60.6379     150 -60.5615
     151 -55.5541     152 -55.6149     153 -55.4643     154 -55.3046     155 -55.3977
     156 -55.8509     157 -57.9148     158 -57.8824     159 -55.9437     160 -55.7114
     161 -55.9272     162 -55.5023     163 -55.5910     164 -55.8153     165 -57.9997
     166 -58.1527     167 -56.4618     168 -55.0856     169 -54.9157     170 -55.3077
     171 -55.9693     172 -55.9501     173 -55.8489     174 -55.7526     175 -55.3004
     176 -54.7789     177 -55.0044     178 -56.4005     179 -60.4461     180 -60.6278
     181 -55.9284     182 -56.1106     183 -55.9401     184 -55.6832     185 -55.6674
     186 -56.2055     187 -58.0307     188 -58.2776     189 -56.2047     190 -55.8436
     191 -55.9907     192 -55.7192     193 -55.7019     194 -55.9008     195 -58.0579
     196 -58.2260     197 -56.4621     198 -55.0185     199 -54.9644     200 -55.2801
     201 -55.8738     202 -55.9531     203 -55.9147     204 -55.8409     205 -55.1694
     206 -55.2069     207 -55.1403     208 -56.4327     209 -60.7287     210 -60.5190
     211 -55.9415     212 -56.1004     213 -55.9398     214 -55.7189     215 -55.6749
     216 -56.2042     217 -58.0978     218 -58.2916     219 -56.0925     220 -55.7800
     221 -55.8733     222 -55.5739     223 -55.4804     224 -55.7594     225 -57.9694
     226 -58.1188     227 -56.4627     228 -55.0479     229 -55.0407     230 -55.2061
     231 -55.7294     232 -55.9598     233 -55.9887     234 -55.6805     235 -55.0723
     236 -55.1359     237 -55.1670     238 -56.4540     239 -60.3989     240 -60.3465
     241 -55.9096     242 -55.9793     243 -55.8450     244 -55.7059     245 -55.7230
     246 -56.1617     247 -58.0467     248 -58.1262     249 -56.1495     250 -55.8320
     251 -55.9423     252 -55.6796     253 -55.6749     254 -55.8592     255 -57.9725
     256 -58.0426     257 -56.3467     258 -55.0597     259 -54.8858     260 -55.1984
     261 -55.7857     262 -55.8055     263 -55.8941     264 -55.9653     265 -55.3940
     266 -54.9712     267 -55.1300     268 -56.4528     269 -60.6406     270 -60.3484
     271 -55.8553     272 -55.9373     273 -55.7605     274 -55.6754     275 -55.6406
     276 -56.0358     277 -58.1166     278 -58.1682     279 -55.8943     280 -55.6480
     281 -55.7716     282 -55.4706     283 -55.4417     284 -55.7330     285 -57.9899
     286 -58.0106     287 -56.4019     288 -54.9730     289 -54.9324     290 -55.2875
     291 -55.8839     292 -55.8611     293 -55.8616     294 -55.7990     295 -55.1316
     296 -54.9250     297 -55.0190     298 -56.3541     299 -60.3544     300 -60.5379
     301 -55.8386     302 -55.9882     303 -55.8583     304 -55.5623     305 -55.5888
     306 -56.0816     307 -58.0572     308 -58.2451     309 -56.0987     310 -55.7761
     311 -55.9246     312 -55.6401     313 -55.6084     314 -55.8365     315 -57.9841
     316 -58.1162     317 -56.4030     318 -55.0335     319 -54.9105     320 -55.2270
     321 -55.8086     322 -55.8111     323 -55.9356     324 -55.9378     325 -55.1766
     326 -55.1402     327 -55.2176     328 -56.4385     329 -60.6539     330 -60.3742
     331 -55.7555     332 -55.7678     333 -55.6595     334 -55.5972     335 -55.5643
     336 -56.0160     337 -57.9827     338 -57.9647     339 -55.8686     340 -55.5281
     341 -55.7078     342 -55.4992     343 -55.5103     344 -55.6971     345 -58.0035
     346 -57.9676     347 -56.3774     348 -54.9183     349 -54.9174     350 -55.2411
     351 -55.7973     352 -55.8302     353 -55.8014     354 -55.7330     355 -55.1856
     356 -54.8752     357 -54.9818     358 -56.3741     359 -60.4147     360 -60.5077
     361 -39.1545     362 -38.8072     363 -39.0148     364 -39.1010     365 -39.0114
     366 -38.7230     367 -38.0665     368 -38.0326     369 -38.0846     370 -38.1447
     371 -38.1617     372 -38.1942     373 -38.8123     374 -38.3120     375 -38.7190
     376 -38.9300     377 -38.8955     378 -38.8011     379 -38.1672     380 -38.1298
     381 -38.2527     382 -38.0958     383 -38.2238     384 -38.0172     385 -38.9342
     386 -38.7461     387 -38.9590     388 -38.9300     389 -38.8814     390 -38.5475
     391 -38.2014     392 -38.2197     393 -38.2049     394 -38.1667     395 -38.3083
     396 -38.3017     397 -38.7729     398 -38.4003     399 -38.7409     400 -38.9489
     401 -38.7710     402 -38.7876     403 -38.2970     404 -38.2245     405 -38.3390
     406 -38.0373     407 -38.1422     408 -38.0216     409 -38.8413     410 -38.7677
     411 -39.0095     412 -38.7649     413 -38.8936     414 -38.5979     415 -38.2253
     416 -38.2349     417 -38.0889     418 -38.3157     419 -38.2904     420 -38.2767
     421 -38.5788     422 -38.2772     423 -38.5699     424 -38.7562     425 -38.6288
     426 -38.6538     427 -38.2106     428 -38.0724     429 -38.2989     430 -38.2207
     431 -38.1336     432 -37.9453     433 -38.9257     434 -38.6888     435 -39.0034
     436 -38.7985     437 -39.0162     438 -38.6098     439 -38.4376     440 -38.1369
     441 -38.1633     442 -38.3025     443 -38.3447     444 -38.0313     445 -38.9276
     446 -38.8202     447 -38.9528     448 -38.7741     449 -38.7865     450 -38.3476
     451 -38.0756     452 -38.0959     453 -38.0221     454 -38.0410     455 -38.0757
     456 -38.1416     457 -38.9108     458 -38.6951     459 -38.8922     460 -38.9032
     461 -38.8967     462 -38.6737     463 -38.1630     464 -38.1435     465 -38.2048
     466 -38.3027     467 -38.0890     468 -38.3947     469 -38.8733     470 -38.7546
     471 -38.8262     472 -38.8171     473 -38.6134     474 -38.4342     475 -38.1461
     476 -37.9961     477 -38.2151     478 -38.0970     479 -38.1607     480 -37.9701
     481 -38.8887     482 -38.7569     483 -38.9060     484 -38.8708     485 -38.9234
     486 -38.7354     487 -38.1794     488 -38.1653     489 -38.1173     490 -38.3169
     491 -38.2477     492 -38.3630     493 -38.8041     494 -38.5054     495 -38.6848
     496 -38.7744     497 -38.5584     498 -38.5566     499 -38.1634     500 -37.9099
     501 -38.1935     502 -38.1380     503 -38.1080     504 -37.9569     505 -38.2806
     506 -40.9983     507 -71.6681     508 -71.5518     509 -71.3963     510 -71.6130
     511 -71.6023     512 -71.5599     513 -71.3393     514 -71.6535     515 -71.5690
     516 -71.4148     517 -71.3995     518 -71.5455     519 -71.5280     520 -71.6077
     521 -71.5297     522 -71.4716     523 -71.5211     524 -71.4322     525 -71.5430
     526 -71.4022     527 -71.5585     528 -71.4661     529 -71.1813     530 -71.4185
     531 -76.9141     532 -76.8174     533 -76.7627     534 -76.8344     535 -76.6855
     536 -76.6361     537 -76.8003     538 -76.8320     539 -76.8127     540 -76.5247
     541 -76.9095     542 -76.7713     543 -76.6269     544 -76.6554     545 -76.8920
     546 -76.7893     547 -76.9323     548 -76.7836     549 -76.7735     550 -76.6389
     551 -76.5913     552 -76.6512     553 -76.6987     554 -76.6810     555 -76.9954
     556 -76.7445     557 -76.9593     558 -76.7876     559 -76.9442     560 -76.7904
     561 -76.7846     562 -76.7000     563 -76.7569     564 -76.7404     565 -76.6552
     566 -76.6718     567 -76.8603     568 -76.8699     569 -76.5585     570 -76.7788
     571 -76.9426     572 -76.7497     573 -76.8436     574 -76.6979     575 -76.6641
     576 -76.6607     577 -76.6402     578 -76.8253     579 -82.3950     580 -82.3514
     581 -82.2408     582 -82.2941     583 -82.2982     584 -82.2433     585 -82.4550
     586 -82.5852     587 -82.5084     588 -82.2300     589 -82.0931     590 -82.2237
     591 -82.4110     592 -82.2330     593 -82.2641     594 -82.7302     595 -82.6033
     596 -82.6484     597 -82.4935     598 -82.5008     599 -82.5382     600 -82.3493
     601 -82.0811     602 -82.5542     603 -82.6644     604 -82.3996     605 -82.5116
     606 -82.7247     607 -82.5561     608 -82.4209     609 -82.7726     610 -82.3851
     611 -82.3518     612 -82.4571     613 -82.3626     614 -82.1707     615 -82.5778
     616 -82.4578     617 -82.3905     618 -82.8305     619 -82.7333     620 -82.7477
     621 -82.1876     622 -82.3749     623 -82.5071     624 -82.3594     625 -82.2703
     626 -82.4681     627 -82.2043     628 -82.3057     629 -82.1849     630 -82.6271
     631 -82.3095     632 -82.4344     633 -82.4532     634 -82.4548     635 -82.4135
     636 -82.2382     637 -82.2308     638 -82.1445     639 -82.1364     640 -82.3431
     641 -82.2832     642 -82.5599     643 -82.5551     644 -82.4954     645 -82.3568
     646 -82.4987     647 -82.4527     648 -82.2915     649 -82.3170     650 -82.2677
 
 
 
 E-fermi :  -1.4528     XC(G=0):  -6.4658     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.3043      2.00000
      2     -29.1537      2.00000
      3     -29.0052      2.00000
      4     -28.9895      2.00000
      5     -28.9516      2.00000
      6     -28.9168      2.00000
      7     -28.8947      2.00000
      8     -28.8465      2.00000
      9     -28.8459      2.00000
     10     -28.8436      2.00000
     11     -28.7879      2.00000
     12     -28.7864      2.00000
     13     -28.7717      2.00000
     14     -28.7640      2.00000
     15     -28.7453      2.00000
     16     -28.7333      2.00000
     17     -28.6504      2.00000
     18     -28.5912      2.00000
     19     -28.5769      2.00000
     20     -28.5623      2.00000
     21     -28.5568      2.00000
     22     -28.5407      2.00000
     23     -28.4611      2.00000
     24     -28.4305      2.00000
     25     -27.0807      2.00000
     26     -26.9087      2.00000
     27     -26.7839      2.00000
     28     -26.7471      2.00000
     29     -26.7276      2.00000
     30     -26.7184      2.00000
     31     -26.6701      2.00000
     32     -26.6477      2.00000
     33     -26.6434      2.00000
     34     -26.6205      2.00000
     35     -26.5949      2.00000
     36     -26.5941      2.00000
     37     -26.5933      2.00000
     38     -26.5643      2.00000
     39     -26.5625      2.00000
     40     -26.5284      2.00000
     41     -26.4985      2.00000
     42     -26.4894      2.00000
     43     -26.4662      2.00000
     44     -26.4656      2.00000
     45     -26.4644      2.00000
     46     -26.4606      2.00000
     47     -26.4597      2.00000
     48     -26.4507      2.00000
     49     -26.4472      2.00000
     50     -26.4387      2.00000
     51     -26.4160      2.00000
     52     -26.4080      2.00000
     53     -26.3979      2.00000
     54     -26.3859      2.00000
     55     -26.3670      2.00000
     56     -26.3442      2.00000
     57     -26.3419      2.00000
     58     -26.3205      2.00000
     59     -26.3176      2.00000
     60     -26.3014      2.00000
     61     -26.2721      2.00000
     62     -26.2668      2.00000
     63     -26.2349      2.00000
     64     -26.2173      2.00000
     65     -26.2112      2.00000
     66     -26.2100      2.00000
     67     -26.2081      2.00000
     68     -26.2024      2.00000
     69     -26.1841      2.00000
     70     -26.1772      2.00000
     71     -26.1627      2.00000
     72     -26.1455      2.00000
     73     -23.3935      2.00000
     74     -23.3385      2.00000
     75     -23.3234      2.00000
     76     -23.2454      2.00000
     77     -23.2329      2.00000
     78     -23.2307      2.00000
     79     -23.2298      2.00000
     80     -23.2129      2.00000
     81     -23.1809      2.00000
     82     -23.1748      2.00000
     83     -23.1720      2.00000
     84     -23.1577      2.00000
     85     -23.1458      2.00000
     86     -23.1402      2.00000
     87     -23.1060      2.00000
     88     -23.0996      2.00000
     89     -23.0971      2.00000
     90     -23.0545      2.00000
     91     -23.0532      2.00000
     92     -23.0088      2.00000
     93     -22.9996      2.00000
     94     -22.9955      2.00000
     95     -22.9937      2.00000
     96     -22.9134      2.00000
     97     -22.9115      2.00000
     98     -22.8564      2.00000
     99     -22.8560      2.00000
    100     -22.8526      2.00000
    101     -22.8447      2.00000
    102     -22.8108      2.00000
    103     -22.7825      2.00000
    104     -22.7732      2.00000
    105     -22.7729      2.00000
    106     -22.7724      2.00000
    107     -22.7601      2.00000
    108     -22.7548      2.00000
    109     -22.7124      2.00000
    110     -22.7107      2.00000
    111     -22.6920      2.00000
    112     -22.6810      2.00000
    113     -22.6588      2.00000
    114     -22.6575      2.00000
    115     -22.5958      2.00000
    116     -22.5862      2.00000
    117     -22.5450      2.00000
    118     -22.4663      2.00000
    119     -22.3671      2.00000
    120     -22.3489      2.00000
    121     -20.4466      2.00000
    122     -20.4160      2.00000
    123     -20.3998      2.00000
    124     -20.3905      2.00000
    125     -20.3334      2.00000
    126     -20.3276      2.00000
    127     -20.2770      2.00000
    128     -20.2646      2.00000
    129     -20.2570      2.00000
    130     -20.2475      2.00000
    131     -20.2349      2.00000
    132     -20.2204      2.00000
    133     -20.2065      2.00000
    134     -20.1964      2.00000
    135     -20.1783      2.00000
    136     -20.1666      2.00000
    137     -20.1645      2.00000
    138     -20.1518      2.00000
    139     -20.1327      2.00000
    140     -20.0946      2.00000
    141     -20.0913      2.00000
    142     -20.0845      2.00000
    143     -20.0821      2.00000
    144     -20.0413      2.00000
    145     -18.6851      2.00000
    146     -18.5918      2.00000
    147     -18.5487      2.00000
    148     -18.5398      2.00000
    149     -18.5254      2.00000
    150     -18.5154      2.00000
    151     -18.4871      2.00000
    152     -18.4711      2.00000
    153     -18.4632      2.00000
    154     -18.4355      2.00000
    155     -18.3914      2.00000
    156     -18.3695      2.00000
    157     -18.3326      2.00000
    158     -18.2679      2.00000
    159     -18.2362      2.00000
    160     -18.2154      2.00000
    161     -18.2020      2.00000
    162     -18.1842      2.00000
    163     -18.1675      2.00000
    164     -18.1649      2.00000
    165     -18.1482      2.00000
    166     -18.1385      2.00000
    167     -18.0873      2.00000
    168     -18.0417      2.00000
    169     -17.9835      2.00000
    170     -17.9489      2.00000
    171     -17.9295      2.00000
    172     -17.9229      2.00000
    173     -17.8734      2.00000
    174     -17.8529      2.00000
    175     -17.8322      2.00000
    176     -17.8069      2.00000
    177     -17.7930      2.00000
    178     -17.7694      2.00000
    179     -17.7504      2.00000
    180     -17.7093      2.00000
    181     -17.6318      2.00000
    182     -17.6085      2.00000
    183     -17.5635      2.00000
    184     -17.5593      2.00000
    185     -17.5203      2.00000
    186     -17.5176      2.00000
    187     -17.5009      2.00000
    188     -17.4987      2.00000
    189     -17.4821      2.00000
    190     -17.4801      2.00000
    191     -17.4747      2.00000
    192     -17.4697      2.00000
    193     -16.7815      2.00000
    194     -16.7576      2.00000
    195     -16.7036      2.00000
    196     -16.6790      2.00000
    197     -16.6424      2.00000
    198     -16.6297      2.00000
    199     -16.6192      2.00000
    200     -16.5674      2.00000
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   1337       2.6549     -0.00000
   1338       2.6716     -0.00000
   1339       2.6855     -0.00000
   1340       2.6895     -0.00000
   1341       2.7045     -0.00000
   1342       2.7202     -0.00000
   1343       2.7605     -0.00000
   1344       2.7988     -0.00000
   1345       2.8073     -0.00000
   1346       2.9455     -0.00000
   1347       2.9894     -0.00000
   1348       3.0110     -0.00000
   1349       3.0321     -0.00000
   1350       3.0426     -0.00000
   1351       3.0606     -0.00000
   1352       3.0798     -0.00000
   1353       3.1097     -0.00000
   1354       3.1304     -0.00000
   1355       3.1414     -0.00000
   1356       3.1700     -0.00000
   1357       3.1920     -0.00000
   1358       3.2181     -0.00000
   1359       3.2464     -0.00000
   1360       3.2615     -0.00000
   1361       3.3163     -0.00000
   1362       3.4229     -0.00000
   1363       3.4740     -0.00000
   1364       3.5390     -0.00000
   1365       3.6111     -0.00000
   1366       3.6478     -0.00000
   1367       3.7023     -0.00000
   1368       3.7322     -0.00000
   1369       3.7646     -0.00000
   1370       3.7832     -0.00000
   1371       3.7990     -0.00000
   1372       3.8268     -0.00000
   1373       3.8590     -0.00000
   1374       3.8647     -0.00000
   1375       3.8889      0.00000
   1376       3.8991      0.00000
   1377       3.9210      0.00000
   1378       3.9303      0.00000
   1379       3.9458      0.00000
   1380       3.9514      0.00000
   1381       3.9654      0.00000
   1382       3.9844      0.00000
   1383       3.9903      0.00000
   1384       4.0249      0.00000
   1385       4.0358      0.00000
   1386       4.0430      0.00000
   1387       4.0508      0.00000
   1388       4.0534      0.00000
   1389       4.0696      0.00000
   1390       4.0891      0.00000
   1391       4.0936      0.00000
   1392       4.1080      0.00000
   1393       4.1257      0.00000
   1394       4.1425      0.00000
   1395       4.1514      0.00000
   1396       4.1553      0.00000
   1397       4.1622      0.00000
   1398       4.1827      0.00000
   1399       4.1905      0.00000
   1400       4.2054      0.00000
   1401       4.2191      0.00000
   1402       4.2313      0.00000
   1403       4.2563      0.00000
   1404       4.2699      0.00000
   1405       4.2873      0.00000
   1406       4.2951      0.00000
   1407       4.3035      0.00000
   1408       4.3103      0.00000
   1409       4.3321      0.00000
   1410       4.3482      0.00000
   1411       4.3727      0.00000
   1412       4.3752      0.00000
   1413       4.3794      0.00000
   1414       4.4095      0.00000
   1415       4.4171      0.00000
   1416       4.4332      0.00000
   1417       4.4381      0.00000
   1418       4.4515      0.00000
   1419       4.4723      0.00000
   1420       4.4799      0.00000
   1421       4.4891      0.00000
   1422       4.4987      0.00000
   1423       4.5161      0.00000
   1424       4.5234      0.00000
   1425       4.5669      0.00000
   1426       4.5699      0.00000
   1427       4.6023      0.00000
   1428       4.6101      0.00000
   1429       4.6171      0.00000
   1430       4.6447      0.00000
   1431       4.6571      0.00000
   1432       4.6936      0.00000
   1433       4.7019      0.00000
   1434       4.7094      0.00000
   1435       4.7394      0.00000
   1436       4.7920      0.00000
   1437       4.8079      0.00000
   1438       4.8308      0.00000
   1439       4.8465      0.00000
   1440       4.8634      0.00000
   1441       4.8815      0.00000
   1442       4.9006      0.00000
   1443       4.9122      0.00000
   1444       4.9520      0.00000
   1445       4.9686      0.00000
   1446       4.9732      0.00000
   1447       4.9857      0.00000
   1448       4.9906      0.00000
   1449       5.0094      0.00000
   1450       5.0194      0.00000
   1451       5.0426      0.00000
   1452       5.0452      0.00000
   1453       5.0768      0.00000
   1454       5.0963      0.00000
   1455       5.1058      0.00000
   1456       5.1179      0.00000
   1457       5.1275      0.00000
   1458       5.1381      0.00000
   1459       5.1476      0.00000
   1460       5.1614      0.00000
   1461       5.1735      0.00000
   1462       5.2089      0.00000
   1463       5.2152      0.00000
   1464       5.2208      0.00000
   1465       5.2304      0.00000
   1466       5.2416      0.00000
   1467       5.2684      0.00000
   1468       5.2737      0.00000
   1469       5.2855      0.00000
   1470       5.2958      0.00000
   1471       5.3067      0.00000
   1472       5.3091      0.00000
   1473       5.3246      0.00000
   1474       5.3310      0.00000
   1475       5.3379      0.00000
   1476       5.3463      0.00000
   1477       5.3703      0.00000
   1478       5.3747      0.00000
   1479       5.3851      0.00000
   1480       5.3877      0.00000
   1481       5.3987      0.00000
   1482       5.4128      0.00000
   1483       5.4179      0.00000
   1484       5.4299      0.00000
   1485       5.4341      0.00000
   1486       5.4511      0.00000
   1487       5.4515      0.00000
   1488       5.4625      0.00000
   1489       5.4783      0.00000
   1490       5.4833      0.00000
   1491       5.4858      0.00000
   1492       5.4942      0.00000
   1493       5.5056      0.00000
   1494       5.5110      0.00000
   1495       5.5170      0.00000
   1496       5.5272      0.00000
   1497       5.5340      0.00000
   1498       5.5407      0.00000
   1499       5.5534      0.00000
   1500       5.5546      0.00000
   1501       5.5699      0.00000
   1502       5.5843      0.00000
   1503       5.5920      0.00000
   1504       5.6044      0.00000
   1505       5.6135      0.00000
   1506       5.6242      0.00000
   1507       5.6467      0.00000
   1508       5.6496      0.00000
   1509       5.6572      0.00000
   1510       5.6677      0.00000
   1511       5.6835      0.00000
   1512       5.6941      0.00000
   1513       5.6963      0.00000
   1514       5.7014      0.00000
   1515       5.7119      0.00000
   1516       5.7276      0.00000
   1517       5.7368      0.00000
   1518       5.7498      0.00000
   1519       5.7603      0.00000
   1520       5.7833      0.00000
   1521       5.7886      0.00000
   1522       5.7967      0.00000
   1523       5.8036      0.00000
   1524       5.8130      0.00000
   1525       5.8210      0.00000
   1526       5.8271      0.00000
   1527       5.8433      0.00000
   1528       5.8522      0.00000
   1529       5.8654      0.00000
   1530       5.8740      0.00000
   1531       5.8895      0.00000
   1532       5.8981      0.00000
   1533       5.9061      0.00000
   1534       5.9139      0.00000
   1535       5.9229      0.00000
   1536       5.9266      0.00000
   1537       5.9345      0.00000
   1538       5.9486      0.00000
   1539       5.9537      0.00000
   1540       5.9657      0.00000
   1541       5.9759      0.00000
   1542       5.9820      0.00000
   1543       5.9935      0.00000
   1544       5.9990      0.00000
   1545       6.0097      0.00000
   1546       6.0169      0.00000
   1547       6.0252      0.00000
   1548       6.0315      0.00000
   1549       6.0415      0.00000
   1550       6.0488      0.00000
   1551       6.0600      0.00000
   1552       6.0662      0.00000
   1553       6.0787      0.00000
   1554       6.0881      0.00000
   1555       6.0974      0.00000
   1556       6.1027      0.00000
   1557       6.1205      0.00000
   1558       6.1247      0.00000
   1559       6.1354      0.00000
   1560       6.1442      0.00000
   1561       6.1479      0.00000
   1562       6.1526      0.00000
   1563       6.1587      0.00000
   1564       6.1736      0.00000
   1565       6.1825      0.00000
   1566       6.1927      0.00000
   1567       6.1946      0.00000
   1568       6.2041      0.00000
   1569       6.2196      0.00000
   1570       6.2228      0.00000
   1571       6.2256      0.00000
   1572       6.2305      0.00000
   1573       6.2439      0.00000
   1574       6.2568      0.00000
   1575       6.2720      0.00000
   1576       6.2748      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.086  13.410  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.410  17.828  -0.001   0.002  -0.000   0.003  -0.005   0.000
 -0.001  -0.001  -4.231   0.003   0.001   8.275  -0.004  -0.001
  0.001   0.002   0.003  -4.231   0.001  -0.004   8.274  -0.001
 -0.000  -0.000   0.001   0.001  -4.224  -0.001  -0.001   8.266
  0.002   0.003   8.275  -0.004  -0.001 -18.315   0.007   0.001
 -0.004  -0.005  -0.004   8.274  -0.001   0.007 -18.310   0.000
  0.000   0.000  -0.001  -0.001   8.266   0.001   0.000 -18.305
 total augmentation occupancy for first ion, spin component:           1
  8.491  -3.828   0.167   0.113  -0.045   0.021   0.022  -0.007
 -3.828   1.800  -0.085  -0.081   0.027  -0.009  -0.013   0.004
  0.167  -0.085   1.790  -0.067  -0.039   0.169  -0.012  -0.007
  0.113  -0.081  -0.067   1.903  -0.074  -0.011   0.178  -0.010
 -0.045   0.027  -0.039  -0.074   1.219  -0.007  -0.010   0.080
  0.021  -0.009   0.169  -0.011  -0.007   0.018  -0.002  -0.001
  0.022  -0.013  -0.012   0.178  -0.010  -0.002   0.018  -0.001
 -0.007   0.004  -0.007  -0.010   0.080  -0.001  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -52277.73307100571.96328 27655.25400-12034.70288  6732.00304 22042.10231
  Hartree  3199.94199127386.40286 65854.18393-12351.17579  4722.12910 16450.85145
  E(xc)  -10737.93116-10591.63912-10635.59632     2.50470     7.95912    31.58167
  Local   15656.13556************************ 24372.89208-11488.74243-37918.46123
  n-local -5851.69857 -5978.23406 -6038.01323     3.79337    17.77600   -62.46685
  augment  1492.87085  1535.80714  1486.69439     5.46171    13.23907    -2.44098
  Kinetic 45543.63567 43215.75176 43729.92363   -19.53553   -71.37152  -542.89319
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -66.9200080   -414.2586170   -109.8633478    -20.7623527    -67.0076186     -1.7268138
  in kB      -11.1594470    -69.0809403    -18.3205926     -3.4622885    -11.1740568     -0.2879600
  external PRESSURE =     -32.8536600 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.251E+03 -.117E+03 0.248E+03   0.251E+03 0.118E+03 -.250E+03   -.132E+00 -.536E+00 0.145E+01   0.112E-02 -.885E-04 -.559E-03
   -.208E+03 -.139E+03 0.550E+02   0.207E+03 0.141E+03 -.548E+02   0.214E+00 -.132E+01 -.474E+00   0.552E-03 -.179E-03 -.576E-03
   -.177E+03 -.126E+03 0.394E+01   0.177E+03 0.127E+03 -.240E+01   0.301E+00 -.138E+01 -.158E+01   0.318E-03 -.307E-03 -.675E-03
   -.232E+03 -.104E+03 0.347E+03   0.232E+03 0.104E+03 -.350E+03   -.138E+00 -.885E-01 0.254E+01   0.114E-02 0.109E-04 -.651E-03
   -.183E+03 -.149E+03 0.309E+03   0.183E+03 0.150E+03 -.310E+03   0.135E+00 -.778E+00 0.867E+00   0.483E-03 -.146E-03 -.863E-03
   -.162E+03 -.114E+03 0.169E+03   0.162E+03 0.114E+03 -.169E+03   0.144E+00 -.237E+00 0.127E+00   0.256E-03 -.227E-03 -.763E-03
   -.254E+03 -.134E+03 0.184E+03   0.253E+03 0.139E+03 -.185E+03   0.610E+00 -.441E+01 0.901E+00   0.138E-02 0.181E-03 -.606E-03
   -.189E+03 -.120E+03 0.303E+02   0.190E+03 0.124E+03 -.320E+02   -.465E+00 -.413E+01 0.194E+01   0.299E-03 -.688E-05 -.648E-03
   -.118E+03 0.616E+01 0.199E+03   0.118E+03 -.619E+01 -.199E+03   0.105E+00 0.492E-01 0.305E+00   0.100E-03 0.370E-04 -.734E-03
   -.915E+02 0.876E+02 0.656E+02   0.911E+02 -.890E+02 -.645E+02   0.516E+00 0.159E+01 -.937E+00   0.216E-03 0.256E-03 -.516E-03
   -.103E+03 0.111E+03 0.137E+03   0.103E+03 -.112E+03 -.137E+03   0.237E+00 0.114E+01 -.177E+00   0.340E-03 0.658E-03 -.427E-03
   -.123E+03 0.140E+01 0.338E+03   0.123E+03 -.162E+01 -.339E+03   -.273E+00 0.363E+00 0.111E+01   -.156E-04 0.325E-03 -.912E-03
   -.123E+03 -.352E+02 0.370E+03   0.123E+03 0.363E+02 -.372E+03   0.103E+00 -.932E+00 0.233E+01   0.365E-03 0.114E-02 -.101E-02
   -.131E+03 0.313E+02 0.309E+03   0.131E+03 -.313E+02 -.310E+03   -.324E+00 -.637E-01 0.143E+01   0.603E-03 0.117E-02 -.823E-03
   -.123E+03 0.117E+03 0.271E+03   0.122E+03 -.122E+03 -.272E+03   0.584E+00 0.382E+01 0.204E+01   0.972E-03 0.820E-03 -.123E-02
   -.950E+02 0.123E+03 0.110E+03   0.947E+02 -.126E+03 -.114E+03   0.296E+00 0.298E+01 0.328E+01   0.459E-03 0.651E-03 -.350E-03
   -.908E+02 0.120E+03 0.631E+02   0.912E+02 -.115E+03 -.590E+02   -.460E+00 -.476E+01 -.410E+01   0.687E-03 -.939E-04 -.353E-03
   -.208E+02 0.207E+03 -.153E+03   0.202E+02 -.210E+03 0.155E+03   0.638E+00 0.182E+01 -.225E+01   0.563E-03 -.230E-03 0.173E-03
   0.148E+02 0.153E+03 -.204E+03   -.150E+02 -.153E+03 0.206E+03   0.225E+00 0.287E+00 -.159E+01   0.577E-03 -.491E-03 0.114E-03
   -.813E+02 0.122E+03 0.189E+03   0.824E+02 -.122E+03 -.192E+03   -.107E+01 -.986E+00 0.318E+01   0.848E-03 -.550E-03 -.545E-03
   -.128E+02 0.787E+02 -.415E+01   0.116E+02 -.803E+02 0.532E+01   0.141E+01 0.165E+01 -.145E+01   0.771E-03 -.613E-03 -.559E-04
   -.138E+02 0.157E+02 -.143E+03   0.138E+02 -.160E+02 0.144E+03   0.692E-01 0.482E-01 -.987E+00   0.662E-03 -.588E-03 -.252E-04
   -.567E+02 -.303E+02 -.183E+03   0.571E+02 0.307E+02 0.182E+03   -.462E+00 -.281E+00 0.778E+00   0.763E-03 -.534E-03 0.513E-04
   -.558E+02 -.678E+02 -.239E+03   0.570E+02 0.695E+02 0.238E+03   -.122E+01 -.166E+01 0.142E+01   0.937E-03 -.473E-03 0.215E-03
   -.346E+02 -.156E+03 -.351E+03   0.343E+02 0.156E+03 0.353E+03   0.313E+00 -.448E+00 -.185E+01   0.101E-02 -.628E-03 0.199E-03
   -.121E+03 -.169E+03 -.166E+03   0.121E+03 0.169E+03 0.164E+03   -.774E+00 -.253E+00 0.174E+01   0.829E-03 -.359E-03 0.119E-03
   -.980E+02 -.289E+03 -.196E+03   0.984E+02 0.289E+03 0.195E+03   -.155E+00 -.891E+00 0.531E+00   0.854E-03 -.239E-03 0.348E-04
   -.515E+02 -.266E+03 -.307E+03   0.515E+02 0.267E+03 0.307E+03   0.105E-01 -.132E+01 -.349E+00   0.880E-03 -.548E-03 -.120E-03
   -.552E+02 -.205E+02 -.230E+03   0.610E+02 0.281E+02 0.225E+03   -.598E+01 -.787E+01 0.508E+01   0.894E-03 -.536E-03 0.230E-03
   -.171E+02 0.530E+02 0.305E+02   0.121E+02 -.618E+02 -.261E+02   0.507E+01 0.892E+01 -.468E+01   0.120E-02 -.913E-03 0.305E-03
   -.222E+03 -.280E+02 -.407E+02   0.223E+03 0.283E+02 0.423E+02   -.218E+00 -.963E-01 -.155E+01   -.578E-03 -.679E-03 0.454E-04
   -.153E+03 -.152E+03 0.136E+03   0.153E+03 0.153E+03 -.136E+03   0.112E+00 -.150E+01 -.115E+00   -.435E-03 -.416E-03 -.344E-04
   -.168E+03 -.153E+03 0.177E+03   0.168E+03 0.154E+03 -.178E+03   -.838E-03 -.182E+01 0.785E+00   -.437E-03 -.393E-03 -.136E-03
   -.323E+03 0.792E+01 -.164E+03   0.322E+03 -.991E+01 0.167E+03   0.355E+00 0.180E+01 -.290E+01   -.403E-03 -.625E-03 -.466E-04
   -.308E+03 -.683E+02 -.192E+03   0.308E+03 0.683E+02 0.193E+03   0.176E+00 -.605E-01 -.125E+01   -.236E-03 -.439E-03 0.184E-04
   -.232E+03 -.705E+02 -.861E+01   0.232E+03 0.703E+02 0.861E+01   0.389E+00 0.721E-01 -.261E+00   -.342E-03 -.389E-03 -.526E-04
   -.128E+03 -.585E+02 -.135E+00   0.129E+03 0.635E+02 0.189E+01   -.838E+00 -.404E+01 -.259E+01   -.723E-03 -.505E-03 0.346E-03
   -.765E+02 -.145E+03 0.114E+03   0.769E+02 0.148E+03 -.111E+03   -.389E+00 -.311E+01 -.372E+01   -.336E-03 -.307E-03 0.302E-03
   -.205E+03 0.462E+02 -.188E+02   0.205E+03 -.465E+02 0.189E+02   0.160E+00 0.310E+00 -.688E-01   -.168E-03 -.203E-03 0.767E-04
   -.122E+03 0.584E+02 0.188E+03   0.122E+03 -.595E+02 -.190E+03   0.947E-01 0.145E+01 0.171E+01   -.810E-04 -.162E-03 0.206E-03
   -.832E+02 0.818E+02 0.106E+03   0.832E+02 -.832E+02 -.106E+03   0.166E+00 0.164E+01 0.499E+00   0.168E-03 -.130E-03 0.440E-03
   -.234E+03 0.847E+02 -.234E+03   0.234E+03 -.856E+02 0.235E+03   0.703E-01 0.947E+00 -.855E+00   0.558E-04 0.192E-04 0.222E-03
   -.193E+03 0.410E+02 -.307E+03   0.193E+03 -.410E+02 0.309E+03   0.139E+00 0.259E+00 -.237E+01   0.896E-04 0.316E-03 0.520E-03
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   0.163E+03 0.377E+03 0.160E+03   -.138E+03 -.403E+03 -.193E+03   -.256E+02 0.266E+02 0.336E+02   0.159E-02 -.215E-02 -.143E-03
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   0.110E+03 0.410E+03 0.308E+03   -.144E+03 -.442E+03 -.290E+03   0.346E+02 0.323E+02 -.178E+02   -.144E-03 -.427E-03 -.939E-03
 -----------------------------------------------------------------------------------------------
   0.207E+01 0.869E+01 0.830E+01   0.708E-11 0.568E-13 -.273E-11   -.211E+01 -.869E+01 -.832E+01   0.403E-01 0.728E-02 0.836E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.01149      3.16320      1.37992        -0.039557      0.130563      0.132880
     12.81140      3.58485      2.69658         0.008434     -0.088816     -0.255706
     12.77709      4.95098      3.02558         0.015848     -0.195462     -0.041394
     13.03350      4.08775      0.34841         0.067803     -0.172172      0.053270
     12.94592      5.43636      0.68109         0.008566     -0.036715     -0.239553
     12.88942      5.92984      1.99895         0.034881     -0.136853      0.141896
     13.14570      1.68613      1.33236        -0.022063      0.233061      0.356304
     12.62831      2.34068      3.51975        -0.068167     -0.027782      0.237158
     13.00101      7.41259      2.23088         0.006818      0.021238      0.246965
     12.98336      8.01253      3.51354         0.069985      0.197439      0.151946
     13.27156      9.37514      3.65693         0.012136      0.195919     -0.244770
     13.20337      8.29300      1.14424        -0.074308      0.145034     -0.108905
     13.41139      9.66804      1.27327         0.082110      0.132991      0.150593
     13.48619     10.20245      2.55742        -0.114103     -0.121648      0.024143
     13.69409     11.61086      3.01790        -0.086493     -1.144513      0.574172
     13.38421     10.22109      4.88680         0.016890     -0.095322     -0.392814
     13.73234     12.71182      5.34780        -0.065136     -0.168689      0.035816
     13.43099     12.60653      6.71272         0.011653     -0.247959     -0.234604
     13.42805     13.71946      7.54451        -0.011562      0.134956      0.587949
     14.05962     14.00306      4.91337        -0.040000     -0.224176      0.094240
     14.05796     15.11147      5.78886         0.198651      0.049013     -0.277607
     13.76018     15.04557      7.19016         0.109951     -0.279019     -0.024657
     13.84432     16.15915      8.25072        -0.103713      0.097977      0.200967
     13.28467     16.12414      9.58828        -0.029069      0.007446      0.125612
     13.37578     17.23421     10.44460        -0.048895      0.036267     -0.017478
     14.46173     17.41144      7.97810         0.081258     -0.003297     -0.109498
     14.44657     18.54270      8.80211         0.200738     -0.093454     -0.042133
     13.91609     18.45317     10.07105        -0.035112     -0.125252      0.176127
     12.49700     15.01574     10.26187        -0.091888     -0.241787      0.088274
     14.62507     16.32338      5.11362         0.046567      0.060603     -0.238575
      9.70515      3.85666      4.78655         0.071913      0.279096      0.031534
      9.74863      4.79719      3.76031         0.042442     -0.202014      0.234572
      9.88463      6.16379      4.06580        -0.101647     -0.215413     -0.234704
      9.77027      4.25177      6.11348         0.129149     -0.183901     -0.140438
      9.82628      5.60376      6.41106         0.111631      0.001598      0.038052
      9.90379      6.60134      5.41660         0.093945     -0.116476     -0.254462
      9.48074      2.49683      4.25622         0.217194      0.984460     -0.833307
      9.64140      4.03081      2.46920         0.001316     -0.031679     -0.159664
     10.00202      8.04088      5.80191         0.045815      0.001320     -0.011689
     10.14805      9.05699      4.83589        -0.074375      0.353651     -0.104408
     10.22852     10.38778      5.23028         0.130049      0.212067      0.417694
      9.92898      8.44937      7.15473         0.091362      0.049921      0.059429
     10.00746      9.78509      7.56184         0.074142      0.273847     -0.314038
     10.17724     10.76002      6.57698        -0.054529     -0.262960     -0.037424
     10.27215     12.23898      6.68735         0.083640     -0.312266     -0.473749
     10.37802     11.63240      4.42900        -0.037837      0.281765     -0.846879
     10.80233     14.09475      4.98110        -0.181546     -0.075243     -0.037387
     11.30885     14.41867      3.71586        -0.195632     -0.148416      0.150646
     11.71288     15.72174      3.42380         0.038210      0.121819     -0.131593
     10.69561     15.16341      5.88530         0.171051     -0.082497     -0.091097
     11.04678     16.49106      5.55370        -0.100470      0.194649     -0.067071
     11.59292     16.85937      4.24973        -0.188349     -0.090257      0.010252
     12.02608     18.25499      3.71779         0.088667      0.142332     -0.126826
     12.56590     18.66996      2.42892        -0.146145      0.004840      0.130710
     12.83670     20.01705      2.12722        -0.021659      0.393739      0.092323
     11.91419     19.36600      4.57154        -0.078046     -0.124037      0.340259
     12.16455     20.70495      4.28929         0.218189      0.195492     -0.108525
     12.60724     21.07646      3.01736        -0.026434      0.260163      0.017023
     12.94116     17.81837      1.24001         0.144054     -0.789290     -0.481243
     10.79389     17.41888      6.73814         0.087869      0.063002      0.227566
     10.33769      7.09947     14.62308        -0.098584      0.150739      0.465340
     10.20989      7.52652     15.95226         0.117582      0.037143     -0.040174
     10.22443      8.90137     16.28944         0.149395     -0.321612     -0.114787
     10.34982      8.05412     13.60853         0.000687      0.040783      0.074315
     10.30597      9.41697     13.95663         0.045838     -0.465393     -0.137434
     10.30658      9.90790     15.27892         0.134176     -0.145033      0.244350
     10.38859      5.60450     14.60051         0.781947     -0.984143     -1.385981
     10.02318      6.27453     16.79836         0.081909      0.189205      0.206635
     10.41014     11.41179     15.53832        -0.041676      0.000174      0.300955
     10.39232     12.00352     16.83442         0.058949      0.135523      0.133774
     10.56489     13.39247     17.00394         0.063580      0.104965     -0.045978
     10.54593     12.32885     14.46556        -0.049799      0.092083     -0.087281
     10.68386     13.71400     14.62136         0.070028      0.057958      0.090569
     10.72209     14.23919     15.90992        -0.060438     -0.075209      0.071310
     10.84957     15.65948     16.36426        -0.039943     -0.708513      0.439157
     10.58670     14.26477     18.24082         0.116194      0.176133     -0.427348
     10.68910     16.83474     18.65880         0.028687     -0.081450     -0.218309
     10.17210     16.76594     19.95214        -0.019257     -0.004930     -0.196385
      9.97028     17.92241     20.70759        -0.228582      0.170184      0.546717
     11.05309     18.13710     18.24545         0.039022     -0.289186      0.056773
     10.94901     19.27533     19.08006         0.048611      0.085135     -0.090565
     10.38136     19.24379     20.41830         0.116321     -0.404717     -0.299048
     10.19437     20.36831      0.19862        -0.171416      0.365206      0.168065
      9.61594     20.29727      1.53379        -0.410212      0.075902      0.082768
      9.40983      0.18490      2.33167         0.133963      0.257070     -0.075199
     10.56550      0.45787     21.17096        -0.122988     -0.267663     -0.035627
     10.24086      1.60971      0.64025        -0.091257     -0.066655      0.063154
      9.67046      1.50055      1.91251         0.098992      0.176749      0.158465
      8.98291     19.11028      2.26090         0.178247     -0.229863     -0.293666
     11.52060     20.49818     18.39806         0.361310      0.261774     -0.352223
      7.13138      7.65023     17.48497         0.073945      0.056901      0.023823
      7.13775      8.60206     16.46485         0.124730     -0.314845      0.054580
      7.21417      9.97004     16.75738        -0.163443      0.023831     -0.139317
      7.22697      8.04287     18.81371         0.102329     -0.206587     -0.143471
      7.24922      9.40537     19.10024         0.142412     -0.050120      0.169419
      7.23336     10.41093     18.10823         0.098280      0.003135     -0.318972
      6.85725      6.29686     16.92885         0.142459      0.494389     -0.574036
      7.02734      7.84812     15.16708        -0.138216     -0.071293     -0.409566
      7.23467     11.86442     18.49866         0.101980      0.029931      0.003522
      7.34031     12.93691     17.57796        -0.143001      0.379285     -0.079039
      7.29559     14.26484     18.03117        -0.018502      0.058022      0.276873
      7.16596     12.22128     19.86318         0.092802      0.047010      0.053658
      7.18415     13.53619     20.32535         0.065820      0.279777     -0.194835
      7.20504     14.56900     19.39346         0.019151     -0.216420     -0.179480
      7.18147     16.04318     19.58539         0.069776     -0.037695      0.069585
      7.40006     15.56921     17.30130         0.027043      0.114648     -0.542049
      7.58300     18.03273     18.02860        -0.238241     -0.090737      0.040764
      8.29100     18.42700     16.89033        -0.188609     -0.252740      0.181280
      8.61652     19.75986     16.68790         0.111888      0.261197     -0.141440
      7.20259     19.07309     18.90318         0.176348     -0.078604     -0.093812
      7.43436     20.44081     18.60703         0.048371      0.135201     -0.229782
      8.19019     20.87013     17.43328        -0.018242      0.036631      0.037338
      8.66334      1.01173     16.93322         0.243971      0.047504     -0.015745
      9.25298      1.36054     15.64014         0.201340      0.353296      0.209131
      9.65399      2.68835     15.34602         0.397706      0.213809      0.025507
      8.64196      2.13160     17.80157        -0.017040     -0.401025     -0.200293
      9.11994      3.41397     17.52321         0.124036      0.390058     -0.150556
      9.63339      3.76471     16.26352        -0.018856     -0.304128     -0.347394
      9.67921      0.48275     14.44161         0.358484      0.192530      0.484795
      6.82933      0.09532     19.65615        -0.061699      0.127929      0.175622
      6.95652     10.87394      6.11393        -0.006309      0.190017      0.167576
      6.81009     11.32611      7.42780         0.028339     -0.145173     -0.243356
      6.89587     12.69346      7.74426        -0.032568     -0.392023      0.057958
      7.25394     11.77533      5.09396        -0.140294     -0.341360      0.203560
      7.35613     13.12626      5.42102        -0.059872     -0.080653     -0.077204
      7.15188     13.64242      6.72353        -0.020194      0.033284      0.055895
      6.92927      9.38483      6.07564        -0.102559      0.584458      0.666300
      6.70453     10.10033      8.29861         0.087776     -0.013431     -0.427324
      7.25158     15.12779      6.95902        -0.046935      0.031086      0.179811
      7.08278     15.76050      8.21574         0.062198      0.305066      0.147763
      7.21343     17.16013      8.32859         0.108856      0.199355     -0.057036
      7.56682     15.98141      5.87842        -0.103024      0.109571     -0.173966
      7.60177     17.36849      5.96099        -0.137091      0.270985      0.287319
      7.42150     17.96797      7.21017         0.001482     -0.065447      0.256627
      7.64621     19.39778      7.63574        -0.297820     -0.866706      0.455514
      7.33885     18.04563      9.55062         0.027376      0.114696     -1.164547
      7.62533     20.58072      9.95135         0.054251      0.098062     -0.127162
      7.15812     20.56356     11.27465         0.043776     -0.120688     -0.278949
      7.04346      0.47137     12.03757         0.050018      0.135225      0.209112
      8.07059      0.59967      9.54713        -0.010966     -0.285835     -0.177488
      8.10734      1.73011     10.40726         0.331200      0.109912     -0.083304
      7.55280      1.76331     11.74132         0.164114     -0.263596     -0.301521
      7.46829      2.93548     12.75954        -0.274988      0.153016      0.718854
      6.90375      2.86185     14.11315        -0.205861     -0.050573     -0.079160
      6.73832      4.00996     14.92328         0.102260     -0.135349     -0.334802
      7.91098      4.27932     12.50817        -0.024169     -0.410680     -0.085762
      7.68923      5.42251     13.29216        -0.142644      0.043562      0.371443
      7.09077      5.31194     14.55683         0.108182      0.536902      0.036616
      6.23260      1.65426     14.83039         0.787790      0.118041     -0.784963
      8.90729      2.85708      9.79602         0.349299     -0.178667     -0.282049
      4.11601     11.49133     10.72389         0.103336      0.195555     -0.149044
      3.85264     12.36832      9.67158         0.147123     -0.304649      0.049059
      3.89318     13.75012      9.83967         0.069241     -0.152880     -0.256755
      4.44881     12.00301     11.97193         0.087914     -0.073037     -0.214043
      4.49054     13.39321     12.13878         0.113123     -0.127582      0.017656
      4.22410     14.30999     11.09359         0.067792      0.019375     -0.233284
      3.85366     10.09046     10.29376         0.012323      0.508838     -0.269854
      3.44592     11.54927      8.48834         0.226966      0.016891      0.480058
      4.29301     15.79884     11.29615         0.071665     -0.006588     -0.013925
      4.05583     16.74635     10.26487         0.033547      0.352775     -0.061606
      4.12221     18.12640     10.53571         0.115854     -0.009843      0.265351
      4.67909     16.30541     12.55593         0.141832      0.172287     -0.041065
      4.78055     17.66931     12.82601        -0.033712      0.179899     -0.188178
      4.42460     18.57752     11.82485        -0.019207     -0.287615     -0.177137
      4.31674     20.05246     11.85694        -0.001257      0.131771      0.207473
      4.08744     19.34767      9.65130         0.011406      0.229173     -1.451527
      4.38628      0.65281     10.11263        -0.073890     -0.130332      0.100766
      4.78474      0.97539      8.81549         0.008266     -0.137468      0.074520
      5.21317      2.26524      8.50064         0.161422      0.195197     -0.074645
      4.29279      1.76793     10.97066         0.119305     -0.120405     -0.050941
      4.72466      3.08875     10.63296        -0.045922      0.156013      0.282884
      5.32204      3.40576      9.33877         0.021584     -0.205377      0.408367
      5.94546      4.76308      8.79681         0.106216      0.035208     -0.191680
      6.46386      5.06834      7.48214         0.077808     -0.056347     -0.068079
      6.77390      6.39245      7.04965        -0.033180      0.320131      0.126941
      5.91608      5.94320      9.55972        -0.149809     -0.505754      0.513932
      6.20442      7.23907      9.16558         0.185190      0.757115      0.023348
      6.59592      7.54332      7.85784        -0.000270     -0.176482     -0.090038
      6.59160      4.03243      6.38199        -0.190842     -0.144797     -0.112700
      4.39525      4.01269     11.83660        -0.151581     -0.578947      0.267617
      1.01749     14.26587      0.84164         0.128411      0.048066      0.347319
      1.61842     14.69747      2.02807        -0.053756     -0.077474     -0.074445
      1.62997     16.07750      2.34575        -0.149200     -0.114517     -0.220253
      0.59739     15.17691     21.14428        -0.244359     -0.395566     -0.110998
      0.66195     16.52598      0.18343        -0.023517     -0.045419     -0.194322
      1.09316     17.03566      1.42334         0.094201     -0.161538      0.174210
      0.95676     12.79185      0.79723        -0.075318     -0.273398      0.198132
      2.23968     13.44185      2.66269        -1.054416      0.031220     -1.431030
      0.97918     18.53335      1.61841        -0.110427      0.043173      0.049639
      1.32975     19.24562      2.79046         0.016092      0.199078      0.111952
      1.16265     20.64100      2.83751        -0.009859      0.064954     -0.212066
      0.48520     19.32198      0.54418        -0.060969      0.190301     -0.167218
      0.29700     20.70219      0.58749         0.074393      0.247272      0.112105
      0.62351      0.10226      1.76899         0.077869     -0.440115     -0.101950
      0.59347      1.55175      2.06759         0.296837     -0.624257      0.553250
      1.60160      0.38392      3.86138        -0.385518      0.167495     -0.800090
      1.39065      2.94086      4.05965        -0.046762      0.068927     -0.212256
      1.96237      2.95371      5.32346        -0.009075      0.094355     -0.090527
      2.09400      4.13891      6.02934         0.151721      0.121771      0.281495
      0.95273      4.20547      3.61728        -0.155569     -0.233637     -0.196225
      1.08910      5.39741      4.37107        -0.350745     -0.196355     -0.440819
      1.74876      5.45990      5.63814         0.011217      0.103664     -0.015254
      2.09278      6.71474      6.48503         0.150807     -0.056040      0.376066
      2.56267      6.66848      7.83880         0.090439      0.255396     -0.323502
      3.06253      7.76408      8.57021        -0.261974      0.354530     -0.424223
      2.06814      8.07577      6.05545        -0.085566     -0.410925     -0.078422
      2.53280      9.18290      6.77231         0.214094      0.503328      0.094950
      3.07623      9.07011      8.06814        -0.140387     -0.268988      0.009187
      2.83424      5.41525      8.57424        -0.031091     -0.316513      0.163855
      0.36015      6.54135      3.70980        -0.008379      0.197165     -0.313088
      4.69072     14.09812      0.69668        -0.122829     -0.185076     -0.219398
      4.05987     15.00262     -0.16070        -0.002728     -0.246202      0.027992
      4.06138     16.38915      0.13118         0.056201     -0.058783     -0.026344
      5.37888     14.55848      1.80981        -0.122644     -0.068619     -0.037426
      5.38712     15.92709      2.07521        -0.085588     -0.195499      0.142737
      4.71617     16.90068      1.30064        -0.180494     -0.091115     -0.187160
      4.53777     12.68842      0.20389        -0.155303      0.134107     -0.188128
      3.48247     14.15731     19.95963         0.227632     -0.193162      0.290841
      4.75481     18.35607      1.77538        -0.072305      0.426861     -0.000469
      4.13089     19.47879      1.14520         0.024155      0.039162     -0.097457
      4.29709     20.79305      1.64316         0.118379      0.007618      0.045932
      5.49445     18.68528      2.94250         0.043904      0.198670      0.197920
      5.68060     19.98310      3.44590        -0.147692     -0.004938     -0.075584
      5.07504     21.04111      2.77558        -0.128381      0.007026     -0.186098
      5.14834      1.25472      3.04981        -0.555057     -0.663663     -0.796488
      3.81446      0.88480      1.14187         0.271326     -0.143496      0.342228
      3.99673      3.34307      2.02934         0.026816     -0.128499     -0.107686
      3.07099      3.92054      1.14064         0.384595      0.480560      0.153258
      2.79295      5.30659      1.12133        -0.018713      0.392774     -0.167963
      4.50129      4.27916      2.95049         0.110359     -0.019768      0.271801
      4.21399      5.67367      2.87619         0.495017      0.101070      0.301508
      3.41490      6.35416      1.90242         0.035873     -0.376296     -0.092281
      3.16088      7.96029      1.80701        -0.144036     -0.095605     -0.181825
      2.16715      8.55879      0.95776        -0.184692      0.086904      0.016501
      1.79549      9.92051      0.98561        -0.194678      0.234131      0.195037
      3.75136      9.01888      2.59576        -0.036646      0.189128     -0.017777
      3.28871     10.36004      2.72335         0.138538      0.050711     -0.564785
      2.27362     10.88720      1.90115         0.041460     -0.424478     -0.354264
      1.27894      7.77218      0.01862         0.224023      0.168680     -0.231854
      4.89604      6.44626      3.96494        -0.144222      0.085579     -0.282407
     18.13369     17.33279     13.57092        -0.089620      0.113799      0.102507
     19.15973     17.81616     14.38317        -0.208860     -0.215208     -0.175312
     19.42463     19.18486     14.48412         0.049954     -0.154712      0.223315
     17.37479     18.22143     12.81271         0.048087     -0.107813      0.167664
     17.63104     19.59093     12.93509        -0.082302     -0.037317     -0.051210
     18.62792     20.12623     13.78238         0.071958      0.012900      0.272103
     18.05943     15.84573     13.68093         0.397898      0.285225      0.244131
     19.82716     16.62600     15.00336         0.286091     -0.085390      0.325968
     18.75208      0.35505     14.00952         0.013785      0.059046      0.118232
     19.73829      0.93453     14.84921         0.050448      0.396700      0.285906
     19.68737      2.30583     15.16068        -0.304797      0.295356     -0.029941
     17.79746      1.25061     13.47099        -0.041002      0.105029     -0.092712
     17.78195      2.62682     13.71547         0.242761      0.189314      0.259696
     18.73408      3.15834     14.58688         0.117660     -0.242044      0.050509
     18.94683      4.56655     15.07004         0.358886     -0.811538      0.108707
     20.47070      3.13471     16.14696         0.262011     -0.140408      0.232135
     20.65128      5.66770     16.63518        -0.481561     -0.187778     -0.014602
      0.69568      5.62715     17.12517         0.017168     -0.129377      0.100972
      1.33789      6.79534     17.55565         0.306785     -0.321369      0.107052
     19.99827      6.91091     16.76558         0.832239      0.203654      0.398221
     20.62565      8.04143     17.37977        -0.338701     -0.093921      0.086956
      0.77377      8.05715     17.78550        -0.737262      0.299940     -0.097710
      1.64110      9.20375     18.41300        -0.187414     -0.095534     -0.000074
      2.96211      9.09876     18.97245         0.368597      0.638548      0.024915
      3.63863     10.23760     19.52915         0.266332      0.566142      0.616899
      1.13357     10.51763     18.59434        -0.506396     -0.219907     -0.266084
      1.79084     11.62768     19.11607         1.049072     -0.161971      0.266735
      3.10200     11.54986     19.62569        -0.355568     -0.283237     -0.172078
      4.02974      8.00315     18.87375        -0.278827     -0.832701     -0.315462
     19.58977      9.14471     17.62801        -0.082506     -0.081629     -0.054233
      1.98819     18.17808     14.10807        -0.030306      0.315895      0.057894
      1.26016     19.12683     13.39174         0.106270     -0.166575      0.112303
      1.36382     20.48866     13.69780        -0.408336     -0.125049     -0.236157
      2.90157     18.60081     15.07020        -0.005398     -0.064888     -0.046971
      3.05572     19.96738     15.31280        -0.290671     -0.061478      0.159839
      2.24026     20.94814     14.71030        -0.293404      0.303084     -0.367395
      1.68015     16.81797     13.61291        -0.485647      0.477562     -0.233827
      0.47285     18.38910     12.34615         0.135748     -0.222595      0.411740
      2.37681      1.16024     15.01398        -0.022869      0.009746     -0.002682
      1.74124      2.16424     14.24638        -0.132716      0.454466     -0.030435
      1.99667      3.52173     14.49142         0.361555     -0.031657      0.404512
      3.22083      1.61461     16.05046        -0.201231      0.010556      0.184117
      3.56175      2.95606     16.25014        -0.456737      0.447385     -0.286505
      2.95966      3.91700     15.42989         0.024187     -0.273648     -0.001466
      3.17464      5.39554     15.30369        -1.142300     -0.789809     -0.418773
      1.41258      4.75800     13.91293        -1.427872      0.529799     -1.140915
      1.64964      7.28040     14.47695        -0.244898     -0.347793     -0.404765
      0.35486      7.54698     14.01627         0.209485      0.089897      0.043933
     21.06249      8.82252     14.12399        -0.174105      0.104397     -0.040109
      2.35867      8.39942     14.96152        -0.202598     -0.222500     -0.048868
      1.79343      9.70081     15.02639         0.099879      0.254659      0.091234
      0.42267     10.00038     14.60137         0.148862     -0.150191     -0.080005
     20.89101     11.34647     14.57087        -0.160278      0.344957      0.111890
     19.52117     11.65863     14.14659         0.069167     -0.137836     -0.027154
     18.99308     12.96450     14.15497         0.139765      0.322466      0.036059
      0.27996     12.54471     14.94403         0.150200     -0.032077      0.165930
     -0.25711     13.83613     15.03902        -0.043615     -0.034211      0.080452
     19.69484     14.09014     14.61493         0.067591      0.284264      0.052486
     18.47218     10.70940     13.60027        -0.311190     -0.636431     -0.135451
      2.84689     10.69140     15.53960         0.050191      0.060467      0.089932
     16.09631      0.41949      5.22890         0.229783      0.145720      0.102703
     16.87387      0.86263      6.30223        -0.090537     -0.084970     -0.194883
     16.94959      2.22935      6.63027         0.024851     -0.254344      0.060584
     15.33793      1.32552      4.50870         0.237295     -0.256881      0.076571
     15.40555      2.67350      4.84712         0.073083     -0.079057     -0.076391
     16.22034      3.18704      5.87293        -0.005990     -0.081935      0.063193
     16.35761     20.24113      4.94103         0.265586      0.234418      0.300413
     17.57548     20.90854      6.84684        -0.200876     -0.103516     -0.170245
     16.26381      4.67895      6.08694         0.021401      0.040048      0.197438
     17.07099      5.30377      7.06440        -0.035577      0.227033      0.286470
     17.00718      6.69371      7.26541        -0.230051      0.186471      0.001769
     15.44119      5.54484      5.32740        -0.098167      0.167417     -0.039927
     15.41957      6.93296      5.47875         0.213867      0.184333      0.237145
     16.22386      7.51810      6.45384         0.090984     -0.275506      0.130538
     16.41287      8.95277      6.84051         0.356337     -0.774842      0.317317
     17.58632      7.56236      8.34956        -0.653096      0.236288     -0.804795
     17.74988     10.11617      8.69450         0.050276      0.069562     -0.027193
     18.81548     10.01462      9.59281        -0.215463     -0.124265     -0.094010
     19.40856     11.14760     10.14408         0.100424      0.161002      0.280116
     17.30982     11.44015      8.46945        -0.042494     -0.317797     -0.104198
     17.84576     12.56931      9.13558        -0.105787     -0.036354      0.111745
     18.97434     12.48561     10.04100        -0.143781     -0.266297     -0.009311
     19.73468     13.57711     10.82186         0.078908      0.139860     -0.057033
     21.00983     13.45730     11.50270         0.528258     -0.089211      0.198633
      0.41856     14.57820     12.02901        -0.189377      0.166013      0.094337
     19.25360     14.91476     10.89314         0.041399     -0.074359     -0.104791
     19.95240     16.04278     11.35575         0.016545     -0.216181      0.019247
     21.19728     15.88573     11.96681         0.175410      0.334779      0.096260
      0.74262     12.27955     11.64094        -0.386414     -0.150903     -0.297418
     17.06254     13.81745      8.80392        -0.313014      0.347100     -0.097021
     20.40369      1.32508      6.09921        -0.091083      0.240145      0.294749
     19.82881      2.38205      5.38598        -0.043231     -0.115297      0.105098
     19.83274      3.68578      5.85595        -0.129315      0.016738     -0.211592
     20.91712      1.57404      7.37241        -0.120192     -0.090954      0.003235
     20.87107      2.88394      7.87086        -0.087712      0.009222     -0.016369
     20.36903      3.98655      7.12802        -0.094042     -0.053797      0.086408
     20.22734      0.06028      5.32158        -0.124228      0.778432     -0.007633
     19.14558      1.82665      4.17580         0.585120     -0.376965      0.722353
     20.43434      5.40804      7.61000        -0.129800     -0.107247      0.205770
     20.05214      6.45239      6.75440        -0.098846      0.295362      0.104563
     20.32353      7.78185      7.07709         0.084033      0.076563      0.373473
     -0.33196      5.78268      8.88239        -0.091659     -0.031012     -0.043002
      0.04058      7.09695      9.18360        -0.218060      0.305139     -0.399513
     21.01803      8.09824      8.24272        -0.147345     -0.207823     -0.009576
      0.07400      9.55534      8.22981        -1.638218     -1.463052     -1.643302
     20.02271      9.05211      6.34591         0.016209     -0.061807      0.291992
     20.44137     11.52291      6.82860        -0.054807     -0.027178     -0.058595
     19.54083     11.93188      5.83941         0.056604     -0.190711      0.037678
     19.22099     13.27098      5.64367        -0.153977      0.088800     -0.190258
     21.02882     12.58336      7.54768        -0.064342     -0.181098     -0.070374
     20.74603     13.94425      7.28096         0.265423     -0.013882      0.117331
     19.77233     14.38947      6.30562         0.210005     -0.018723      0.140181
     19.27017     15.81899      6.01887        -0.050706      0.211857     -0.106224
     18.43750     16.26776      4.92643        -0.025715      0.035568     -0.098520
     17.91373     17.58202      4.86194         0.011137      0.138897      0.013726
     19.52649     16.89845      6.91035         0.158075     -0.193848      0.107872
     18.92664     18.15558      6.91097        -0.124504      0.214568     -0.007871
     18.04166     18.52962      5.89328        -0.025115      0.179403     -0.038132
     17.86277     15.38864      3.82141         0.056162     -0.008798     -0.227075
      0.41476     14.85039      8.05974         0.398973      0.157187      0.055933
     12.64774      5.23175      4.06607        -0.029537      0.093425      0.171846
     13.08725      3.75199     20.57245         0.084737      0.086870     -0.087930
     12.91558      6.13222     21.11637         0.058961      0.197790     -0.282100
     12.74438      7.45291      4.41284        -0.001297     -0.227666      0.091501
     13.17504      7.89900      0.13881         0.065541     -0.051653     -0.291262
     13.52399     10.30744      0.39614         0.030508     -0.046822     -0.021313
     13.19183     13.50676      8.57673         0.073915     -0.112564      0.013936
     13.22508     11.61622      7.10871        -0.085363      0.097823      0.253415
     14.34444     14.15620      3.87536        -0.095460      0.017736      0.129223
     12.94324     17.16759     11.43506        -0.024909     -0.096316      0.112782
     14.94445     17.58954      7.03586         0.075133     -0.166374      0.035910
     14.83281     19.51032      8.45764         0.147980     -0.312761     -0.160686
      9.98274      6.87551      3.25188        -0.133244      0.111314     -0.157360
      9.68964      3.50979      6.89344         0.146442      0.024913      0.045727
      9.75368      5.87998      7.45702         0.186273      0.053035      0.172471
     10.17840      8.83494      3.77873        -0.016385     -0.104234     -0.309943
      9.77998      7.70932      7.93410         0.019046     -0.121895      0.089782
      9.91128     10.06628      8.61175         0.064971     -0.052956      0.022397
     12.20119     15.83041      2.47045        -0.065459     -0.023413     -0.143673
     11.39889     13.62904      2.97224         0.172053      0.209655     -0.102544
     10.37877     14.94779      6.90351        -0.049038      0.054595     -0.173279
     13.20882     20.25838      1.13626         0.023133     -0.021098      0.119065
     11.60289     19.19456      5.58375         0.019732      0.125768      0.050557
     12.04209      0.20198      5.06143        -0.159288     -0.149903      0.049161
     10.15065      9.17917     17.33322         0.016716      0.045206      0.332295
     10.33115      7.75003     12.55834         0.127589      0.073489      0.063517
     10.24739     10.11098     13.13702         0.070788      0.320975     -0.389530
     10.19735     11.40194     17.71508         0.123638     -0.200320      0.232818
     10.52172     11.97171     13.44490         0.062055     -0.149700     -0.262264
     10.76101     14.37879     13.75819         0.029903     -0.111442     -0.049413
      9.45388     17.75438      0.38116         0.065767     -0.147947     -0.058885
      9.93828     15.78849     20.36432        -0.227656      0.085886      0.185755
     11.40969     18.28508     17.22815         0.061814     -0.062481      0.152004
      9.06926      0.05494      3.35047        -0.155851      0.006552     -0.052141
     11.17840      0.65105     20.31147        -0.049844      0.054975     -0.237238
     10.42800      2.60372      0.23269         0.233109     -0.151403     -0.103632
      7.23788     10.69675     15.94623        -0.101424     -0.020318     -0.109276
      7.17464      7.29743     19.60896         0.169465      0.075460     -0.019230
      7.21838      9.67454     20.15284         0.154223      0.058824      0.070912
      7.47262     12.76286     16.51608        -0.078594     -0.081178     -0.253071
      7.06317     11.45821     20.62301         0.099398     -0.181283      0.109130
      7.16256     13.75486      0.13130         0.076033     -0.059862     -0.001456
      9.30754     19.94632     15.88829         0.081147     -0.179492     -0.130366
      8.62505     17.67639     16.18393         0.176077      0.047544     -0.136243
      6.79104     18.82275     19.88356        -0.163133      0.020792     -0.353417
      9.99683      2.83907     14.31954         0.108713      0.323434      0.420521
      8.25808      1.97956     18.80037        -0.013495      0.130549      0.099474
      9.07878      4.17834     18.28521        -0.123875      0.047244      0.343406
      6.80838     12.99480      8.78301        -0.044998      0.090404      0.186449
      7.46984     11.40785      4.08842        -0.103356      0.110874     -0.041862
      7.67768     13.78227      4.62119        -0.122498      0.183523     -0.146789
      6.90168     15.18339      9.11693        -0.020330     -0.140884      0.180014
      7.87681     15.55523      4.93190        -0.171791     -0.066555     -0.234173
      7.88188     17.96731      5.09660        -0.056397     -0.021996     -0.003401
      6.49061      0.32287     12.94521         0.079644     -0.074756      0.079185
      6.84318     19.60721     11.68369        -0.090562      0.106357      0.247685
      8.38500      0.73721      8.51208         0.116046     -0.093122      0.214117
      6.31738      3.89991     15.90038        -0.180733     -0.154588      0.405454
      8.49985      4.48921     11.63425        -0.042603     -0.038663     -0.285361
      7.94647      6.42597     12.93783         0.209648     -0.327775     -0.184264
      3.60087     14.37118      9.00270         0.109132      0.173953     -0.193205
      4.60606     11.32606     12.80789         0.158681      0.078408     -0.029009
      4.69532     13.75304     13.14202         0.086531      0.077260      0.113788
      3.85162     16.42606      9.25096        -0.123875     -0.088239     -0.270314
      4.90649     15.61549     13.36274         0.117985     -0.004586      0.056978
      5.15457     18.00840     13.79244        -0.093207      0.036667     -0.030018
      5.49448      2.35383      7.47487         0.105150     -0.070268     -0.178734
      4.79250      0.18793      8.06373         0.082815      0.184915     -0.191328
      3.94523      1.60257     11.98606        -0.055286     -0.010713     -0.146822
      7.10376      6.54273      6.02460        -0.003190     -0.138203      0.151482
      5.53026      5.86707     10.55400         0.147582      0.174195      0.161613
      6.09912      8.06203      9.87798        -0.094710     -0.350864      0.054879
      2.06460     16.42786      3.27130         0.142852     -0.011655      0.395139
      0.25785     14.83411     20.16579        -0.124809      0.034210      0.034689
      0.38353     17.20238     20.64489        -0.168558      0.004030     -0.082122
      1.75951     18.74218      3.65082         0.043552     -0.107445      0.197078
      0.25632     18.86869     20.84819        -0.093089     -0.112761     -0.114135
     -0.02555      0.01609     20.96670        -0.045569     -0.223646      0.177440
      2.49012      3.93163      6.99429         0.098717      0.029115     -0.093402
      2.29029      2.02008      5.76250         0.097131      0.051466      0.256654
      0.44960      4.26691      2.65573         0.000987     -0.042088      0.143856
      3.40500      7.59945      9.57471         0.049984      0.068108      0.183874
      1.66299      8.32021      5.09125        -0.026088      0.033325     -0.384058
      2.45499     10.19171      6.35445        -0.052166     -0.314829     -0.217213
      3.54792     17.07140     20.71978        -0.086354      0.106380     -0.186848
      5.87625     13.84488      2.46795         0.049959      0.076008      0.083971
      5.92736     16.22413      2.96046         0.139675      0.110213      0.255821
      3.51592     19.33049      0.26170        -0.036737      0.036511     -0.211370
      6.03165     17.91062      3.47559        -0.032362     -0.131412      0.112735
      6.32721     20.17203      4.31167        -0.189239     -0.112424     -0.079276
      1.95722      5.52996      0.47861         0.250395     -0.005230     -0.240253
      2.53648      3.28080      0.46173        -0.335986     -0.086236     -0.368436
      5.07878      3.90767      3.80767        -0.063753      0.293573     -0.459307
      1.06125     10.23065      0.25844        -0.171465      0.052191      0.022697
      4.62941      8.87121      3.21153         0.029778     -0.211377     -0.221267
      3.81209     11.06515      3.36495         0.224458     -0.258874      0.270462
     20.25475     19.49414     15.11226         0.010763      0.141044      0.201272
     16.60011     17.85247     12.14234        -0.115635      0.024231     -0.045475
     17.00632     20.25758     12.34879        -0.043962      0.115040     -0.107008
     20.55495      0.35057     15.26661        -0.046200     -0.175383      0.189905
     17.01019      0.87678     12.83031        -0.193463     -0.175828     -0.163134
     17.02761      3.27405     13.26922        -0.068241     -0.029480     -0.076368
      2.39432      6.66424     17.72479        -0.175225     -0.026377      0.094631
      1.22059      4.66703     17.16964         0.046690      0.312656     -0.078011
     18.99461      7.04323     16.39076        -0.173789     -0.116902      0.036116
      4.61707     10.04562     19.98961        -0.366974      0.254425     -0.288500
      0.10876     10.71064     18.30845         0.041274      0.064963     -0.097577
      1.32408     12.58823     19.14679        -0.686528      0.431555     -0.157471
      0.74885     21.18802     13.13503        -0.036441      0.078200     -0.085737
      3.53538     17.87429     15.57263         0.037626     -0.065353      0.157287
      3.85976     20.28065     15.96146         0.185367      0.047861      0.368961
      1.04586      1.92152     13.45366        -0.176898     -0.110572     -0.243155
      3.70557      0.88913     16.69262         0.035876     -0.151018      0.180772
      4.30394      3.23537     16.99567        -0.118405      0.036675      0.113462
     20.03762      8.86979     13.80707        -0.236907      0.047366     -0.100447
     21.04793      6.72534     13.58135        -0.239383      0.218706      0.051825
      3.36405      8.24067     15.34827        -0.125283      0.093945     -0.138631
     18.02006     13.13272     13.70755        -0.063035     -0.067376      0.192584
      1.33747     12.50242     15.13031         0.052250      0.089597      0.198581
      0.35986     14.65637     15.40571         0.114643     -0.216987     -0.095303
     17.61978      2.54290      7.42474         0.030236      0.017638      0.237359
     14.74023      0.96377      3.68108         0.053192      0.071311     -0.091176
     14.81070      3.35241      4.25645        -0.016630      0.181432     -0.146340
     17.76588      4.71837      7.65743        -0.043527     -0.092309      0.280976
     14.76234      5.14222      4.58605        -0.011675     -0.120796     -0.130081
     14.75593      7.56105      4.88872         0.140899     -0.126572     -0.101391
     20.28986     10.94960     10.72860        -0.203211     -0.114161      0.009434
     19.17873      9.02155      9.84529         0.181598      0.133784      0.148728
     16.54647     11.60152      7.71169        -0.046658      0.007918      0.210332
      1.36046     14.42546     12.53059         0.072487      0.031141     -0.002848
     18.25619     15.11819     10.53840        -0.125748      0.044581     -0.118562
     19.57387     17.04783     11.19219        -0.340692     -0.053525      0.054800
     19.39756      4.44260      5.20562        -0.063550      0.080256      0.055717
      0.04079      0.75000      7.98333         0.040608      0.149103     -0.043346
      0.00634      3.05092      8.86728         0.019245      0.019201      0.160900
     19.59219      6.23669      5.80858        -0.285144     -0.070695     -0.151157
     -0.16290      5.01724      9.63088         0.018950     -0.029735      0.156889
      0.59471      7.31953     10.09165        -0.168734      0.063581      0.253192
     18.44201     13.41183      4.92017        -0.094868      0.024937     -0.104183
     19.06464     11.15704      5.24840        -0.208764      0.211042     -0.185773
      0.45882     12.34915      8.35294         0.017920      0.046614     -0.226016
     17.25889     17.82584      4.03486         0.062584     -0.005076     -0.111440
     20.23143     16.76674      7.71185        -0.100348     -0.058281      0.070091
     19.14130     18.87455      7.69992         0.167102     -0.218679      0.079765
     13.90077     19.28341     10.77713        -0.005356      0.108957     -0.065334
     19.03428     21.02285      3.55780         0.264518      0.328483      0.151999
     12.77684      1.21196      2.63575         0.015694     -0.307031      0.211162
     13.64761     11.56329      4.46265         0.036113      0.547733      0.096305
      9.52249      2.62838      2.80939         0.119006     -0.277553     -0.036758
     10.47667     12.73389      5.34672         0.135020      0.059772     -0.074154
     10.00449      5.14029     15.89713        -0.055469     -0.228896      0.378749
     10.73887     15.65230     17.79800         0.002757     -0.027849      0.137126
      6.96050      6.43316     15.48537         0.212587     -0.296059     -0.036724
      7.32859     16.62574     18.29200         0.167487      0.228784     -0.224107
      6.72588      8.93764      7.41714        -0.047050     -0.401459      0.367951
      7.58360     19.39625      9.08091        -0.105010      0.579741      0.383420
      3.50339     10.17207      8.88353        -0.039841     -0.416581     -0.078830
      4.16568     20.52126     10.52027         0.006426      0.070307     -0.308652
      1.84645     12.29191      1.82288        -0.180217     -0.215485     -0.195426
      1.21034      1.70053      3.35289         0.050177      0.272272      0.151986
      3.72107     12.73831     20.28619        -0.113784     -0.379450      0.089080
      4.30523      1.90236      2.06725        -0.057598      0.457631      0.112694
     19.17431     15.44527     14.50613         0.048479     -0.210228     -0.025183
     20.02734      4.50139     16.01260         0.148897      0.350057      0.125769
      0.67509     16.97378     12.57881         0.106814     -0.051631      0.104259
      2.10847      5.89981     14.48556        -0.174632     -0.050049     -0.120321
     17.34195     19.81334      5.89619         0.366247     -0.273340      0.156051
     17.23358      8.93943      8.01359         0.278959      0.318905      0.313374
     19.44545      0.44737      4.20668        -0.143161     -0.355311     -0.226625
     20.66802     10.11559      7.07387        -0.207813      0.394901     -0.037372
     12.41476      2.27431      4.72675        -0.014359      0.117256     -0.393395
     13.56609      1.02388      0.40376         0.032451     -0.257105     -0.205670
     13.26216      9.83256      6.03147        -0.166576     -0.164385      0.455483
     13.84764     12.58164      2.31831         0.169449      0.871577     -0.333298
      9.65156      4.47062      1.32950         0.000614     -0.014473      0.020906
      9.29226      1.48526      4.87842        -0.084333     -0.986436      0.516986
     10.37535     11.72999      3.19611         0.026678     -0.111645      0.803363
     10.16308     12.90680      7.69540         0.006313      0.300804      0.282520
      9.90856      6.21045     18.01694         0.079590      0.028288     -0.391077
     10.79808      4.89560     13.65960        -0.729214      0.936327      1.321584
     10.50309     13.90524     19.39684        -0.002417     -0.112548      0.353028
     11.01112     16.63074     15.65977         0.088151      0.716597     -0.330414
      6.96190      8.31158     14.03559         0.137562     -0.163719      0.241443
      6.54503      5.29757     17.54370         0.158257     -0.322141      0.099930
      7.53772     15.73684     16.09051        -0.167210     -0.057133      0.594284
      7.06433     16.64920     20.64292         0.045576      0.007418     -0.228462
      6.67017     10.07001      9.51600         0.076317     -0.017375      0.132425
      7.11118      8.69136      5.09846         0.029540     -0.465008     -0.359785
      7.29098     17.70184     10.70728         0.049863     -0.217580      0.880676
      7.86125     20.34866      6.91719        -0.046112      0.522315     -0.101954
      3.11775     11.95171      7.39095        -0.091992      0.188396     -0.593919
      3.88771      9.08855     10.98426        -0.017703     -0.151870     -0.056197
      4.08846     19.37758      8.40919        -0.143785     -0.034550      1.636423
      4.30964     20.75185     12.86105         0.100831     -0.143789     -0.400599
      2.96384     13.36718      3.60909         0.938830     -0.139734      1.413200
      0.22244     12.14398      0.06046         0.252355      0.045779      0.296591
      2.20537      0.17229      4.88584         0.421193     -0.158535      0.584053
      0.13720      2.43293      1.37433        -0.242514      0.646624     -0.333101
      2.97071     14.53761     18.92940        -0.264724      0.113058     -0.265888
      5.04224     11.68335      0.69234        -0.172025      0.100514     -0.091559
      3.14786      1.11344      0.15303        -0.182014      0.092708     -0.279855
      5.81061      1.78385      3.90935         0.380865      0.562638      0.463164
     -0.49437     16.63389     15.79586        -0.236955      0.058911     -0.161516
     17.23040     15.10978     13.18648        -0.288855     -0.256712     -0.082158
      0.03690      2.73469     16.96095        -0.295265      0.183398     -0.247392
     18.34749      5.56488     14.73052        -0.225125      0.416955     -0.098107
     21.06588     18.86202     11.44886        -0.367395      0.129976     -0.415038
      2.17545     15.77450     13.99074         0.075809     -0.445713      0.134531
      0.45974      4.82458     13.10604         1.372822     -0.145461      1.108448
      4.06734      6.06465     15.75337         0.896323      0.740189      0.597766
     18.18191     20.81560      7.89875         0.143644     -0.039848      0.010827
     15.87185     19.57454      4.04325         0.075618     -0.160533     -0.095373
     18.14972      7.19426      9.35217         0.308355     -0.145322      0.736863
     16.00162      9.93811      6.26667        -0.044335      0.501354     -0.213398
     18.44388      2.39390      3.36957        -0.431693      0.284887     -0.652283
     20.66598     20.20533      5.53999        -0.052483     -0.325224      0.000139
     19.32221      9.17729      5.35417        -0.072401      0.039418      0.017288
      0.74337     10.15126      9.00733         1.167725      1.357554      1.606610
     13.96533     17.50062      5.29657        -0.003099      0.014482      0.129589
     15.88470     16.52350      5.61882        -0.141085      0.004916      0.075629
     14.75065     16.20711      3.75894        -0.041087     -0.012508      0.454455
     11.96038     15.38499     11.47686        -0.011618     -0.056247     -0.156241
     11.43321     14.60278      9.51927        -0.065555     -0.089730     -0.083005
     13.24793     13.89962     10.56532         0.037325      0.013867     -0.070365
     11.93015     17.97036      7.26425        -0.088738      0.051484     -0.162355
      9.98252     18.48427      6.43996         0.050808     -0.046079     -0.022790
     10.19399     16.79018      7.80544         0.108451      0.163524     -0.266788
     13.16916     18.53852      0.09154         0.076073     -0.189883      0.224047
     14.08447     17.09372      1.44896        -0.062112      0.105941     -0.008311
     11.98254     16.89451      0.86805         0.217278      0.191489      0.150004
     10.70640      0.34294     18.42793         0.251637     -0.164651      0.051313
     12.71540     -0.37599     18.95649        -0.060127     -0.039985      0.050102
     11.77612     20.31615     17.05877         0.110665     -0.063135      0.409207
      8.70695     19.36943      3.57906        -0.099385     -0.068320     -0.122785
      7.79181     18.77874      1.66889         0.082467     -0.017363     -0.194799
      9.69657     17.94283      2.31625         0.015453      0.028791     -0.123755
      7.77001      0.78472     20.38215        -0.052922      0.060623     -0.051693
      5.97487      1.03189     19.13654         0.101581     -0.080628     -0.132361
      6.10393     20.67751     20.61040         0.060630      0.136041     -0.324227
      9.76011      1.17729     13.26189         0.409515     -0.042120      0.200270
     10.94624     21.23487     14.68012        -0.180456      0.135423     -0.173383
      8.90056     20.69518     14.14753        -0.197503     -0.828408     -0.417105
      8.25387      4.05301      9.71856         0.154329      0.040065     -0.128529
     10.07960      3.10393     10.46373        -0.083743     -0.050937      0.230728
      9.29112      2.57828      8.50349         0.082937     -0.009313      0.440610
      6.04374      1.89209     16.14480        -0.132871      0.045091      0.518270
      5.04419      1.39206     14.26206        -0.322606     -0.033427      0.006955
      6.86866      0.43583     14.82500         0.039062      0.197537      0.029559
      5.23785      5.04713     12.09108        -0.303239     -0.044198      0.050660
      3.12580      4.53554     11.80824         0.073890     -0.159677     -0.112726
      4.38821      3.29324     13.01077         0.183916      0.333284     -0.405359
      7.18299      4.51605      5.25433        -0.106588     -0.226728      0.038675
      7.31498      2.92585      6.72228         0.078180      0.064007      0.132900
      5.35147      3.54526      5.98763         0.330151      0.074434      0.089931
     -0.51015      7.23215      4.48081        -0.038001      0.028031      0.146451
      1.21330      7.51837      3.26946        -0.122370     -0.176849     -0.210869
     -0.40355      6.12560      2.66317        -0.051040      0.002878      0.129257
      3.26996      5.65652      9.82131         0.013822     -0.053041      0.193110
      1.84812      4.46684      8.76375         0.098156      0.173407     -0.055575
      3.82209      4.77413      7.89441        -0.109007     -0.073691     -0.056294
      6.07259      6.98281      3.48894        -0.200403     -0.084310      0.129739
      4.13405      7.44698      4.48604        -0.016652      0.209548      0.089991
      5.16265      5.71178      5.05313        -0.084687     -0.095307     -0.110099
      0.38757      8.55058     20.60761        -0.030980     -0.143590     -0.117805
      1.99979      7.04399     -0.92547        -0.585443      0.365000      0.532970
      0.50567      6.88414      0.66070        -0.397142     -0.501784      0.146093
     19.40963      9.40365     18.95582         0.222890      0.001273      0.190001
     19.90412     10.34176     17.03565        -0.093333      0.040459     -0.045775
     18.33864      8.83592     17.15616         0.208363      0.029925      0.075293
      4.86751      8.04604     19.95002         0.072346      0.137952      0.066271
      3.82064      6.63758     18.76682        -0.232729      0.463282      0.252805
      4.68441      8.28792     17.70636         0.239366      0.043017      0.176917
      3.37908     11.43311     14.51146        -0.038214      0.024448     -0.043949
      2.43209     11.61401     16.45904         0.038556     -0.203649     -0.091927
      3.91861     10.07685     16.13727        -0.217832      0.274115     -0.347141
     17.35043     11.34134     13.11466         0.247500     -0.307282      0.166564
     18.90772      9.93514     12.54176        -0.101551      0.131606      0.304409
     18.01900      9.82653     14.55229         0.102427      0.132475     -0.102227
     16.24425     14.22431      9.84259         0.284724     -0.164733     -0.036884
     17.82826     14.90135      8.47726         0.096154      0.037185      0.023718
     16.23024     13.65110      7.73201         0.239178     -0.002809      0.107133
      1.74471     12.51015     12.54165        -0.149242      0.012021     -0.222650
      0.28208     11.04313     12.01896        -0.041154      0.163078     -0.172720
      1.33747     12.09967     10.43185         0.025484     -0.033607      0.100446
      1.17449     15.63441      7.22214        -0.100371     -0.014474      0.004203
     21.07214     15.70671      8.94732         0.152029     -0.063863     -0.124828
      1.30657     14.16633      8.84836        -0.124778      0.272796     -0.439551
     17.19102     16.09268      2.86581         0.316080     -0.062861     -0.023826
     18.78754     14.64624      3.13793         0.296788      0.090412     -0.020125
     16.94644     14.47766      4.31508         0.013462      0.074540     -0.150199
 -----------------------------------------------------------------------------------
    total drift:                               -0.002869      0.007681     -0.017216


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4564.6046544532 eV

  energy  without entropy=    -4564.7541879194  energy(sigma->0) =    -4564.65449894
 
 d Force = 0.1394412E+00[-0.573E-02, 0.285E+00]  d Energy = 0.1395912E+00-0.150E-03
 d Force = 0.5826572E+03[ 0.582E+03, 0.583E+03]  d Ewald  = 0.5826594E+03-0.224E-02


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   46(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.3211555E+00  (-0.6627964E+02)
 number of electron    2497.9999882 magnetization 
 augmentation part      162.6862044 magnetization 

  free energy =  -0.456428349055E+04  energy without entropy=  -0.456443463815E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   46(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) :-0.1503611E+01  (-0.1776552E+01)
 number of electron    2497.9999882 magnetization 
 augmentation part      162.8085061 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8464
  0.8464

  free energy =  -0.456578710140E+04  energy without entropy=  -0.456593684613E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   46(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3704
 total energy-change (2. order) : 0.4852329E-01  (-0.3295567E-01)
 number of electron    2497.9999882 magnetization 
 augmentation part      162.7365475 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4072
  1.0817  1.7327

  free energy =  -0.456573857811E+04  energy without entropy=  -0.456588856609E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   46(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3504
 total energy-change (2. order) :-0.4520393E-02  (-0.2776700E-01)
 number of electron    2497.9999882 magnetization 
 augmentation part      162.6584236 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2704
  2.1557  0.8690  0.7864

  free energy =  -0.456574309851E+04  energy without entropy=  -0.456589320213E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   46(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3640
 total energy-change (2. order) :-0.2047919E-02  (-0.5603060E-02)
 number of electron    2497.9999882 magnetization 
 augmentation part      162.6756855 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3209
  2.3491  1.0174  1.0174  0.8998

  free energy =  -0.456574514643E+04  energy without entropy=  -0.456589543045E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   46(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) : 0.2244340E-02  (-0.3302574E-02)
 number of electron    2497.9999882 magnetization 
 augmentation part      162.6902792 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2584
  2.3855  1.0268  1.0268  0.9264  0.9264

  free energy =  -0.456574290209E+04  energy without entropy=  -0.456589288547E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   46(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3616
 total energy-change (2. order) :-0.1587470E-03  (-0.5124586E-03)
 number of electron    2497.9999882 magnetization 
 augmentation part      162.6942533 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2492
  2.4195  0.9735  0.9735  1.2039  1.2039  0.7211

  free energy =  -0.456574306083E+04  energy without entropy=  -0.456589333896E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   46(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3496
 total energy-change (2. order) : 0.1329409E-03  (-0.9946770E-04)
 number of electron    2497.9999882 magnetization 
 augmentation part      162.6983003 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2221
  2.4678  1.0616  1.0616  1.2410  1.2410  0.8477  0.6341

  free energy =  -0.456574292789E+04  energy without entropy=  -0.456589302596E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   46(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) :-0.3814389E-04  (-0.5910045E-04)
 number of electron    2497.9999882 magnetization 
 augmentation part      162.6950557 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2355
  2.5209  1.0136  1.0136  1.4245  1.3193  0.9827  0.9827  0.6267

  free energy =  -0.456574296604E+04  energy without entropy=  -0.456589311388E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   46(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3432
 total energy-change (2. order) :-0.2254455E-04  (-0.7399508E-05)
 number of electron    2497.9999882 magnetization 
 augmentation part      162.6949076 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2382
  2.6002  1.8203  1.0531  1.0531  1.2538  0.9476  0.9476  0.8484  0.6198

  free energy =  -0.456574298858E+04  energy without entropy=  -0.456589314354E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   46(  11)  ---------------------------------------



 eigenvalue-minimisations  :  2848
 total energy-change (2. order) :-0.2670253E-04  (-0.3698071E-05)
 number of electron    2497.9999882 magnetization 
 augmentation part      162.6947462 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2349
  2.6294  1.8977  1.0280  1.0280  1.3232  0.9910  0.9910  0.9148  0.9148  0.6314

  free energy =  -0.456574301528E+04  energy without entropy=  -0.456589315914E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   46(  12)  ---------------------------------------



 eigenvalue-minimisations  :  2248
 total energy-change (2. order) :-0.2424716E-04  (-0.5225263E-06)
 number of electron    2497.9999882 magnetization 
 augmentation part      162.6948465 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2824
  2.6879  2.2894  1.0456  1.0456  1.3740  1.3740  0.9687  0.9687  0.8581  0.8581
  0.6370

  free energy =  -0.456574303953E+04  energy without entropy=  -0.456589318746E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   46(  13)  ---------------------------------------



 eigenvalue-minimisations  :  2312
 total energy-change (2. order) :-0.3201075E-04  (-0.5177075E-06)
 number of electron    2497.9999882 magnetization 
 augmentation part      162.6950186 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3054
  2.9729  2.4922  1.4348  1.4348  1.0336  1.0336  0.9879  0.9879  0.9439  0.9439
  0.7610  0.6383

  free energy =  -0.456574307154E+04  energy without entropy=  -0.456589321825E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   46(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2240
 total energy-change (2. order) :-0.1893082E-04  (-0.3227047E-06)
 number of electron    2497.9999882 magnetization 
 augmentation part      162.6949359 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3452
  3.5163  2.5490  1.5827  1.0491  1.0491  1.4160  1.1565  1.1565  0.9426  0.9426
  0.6383  0.7443  0.7443

  free energy =  -0.456574309047E+04  energy without entropy=  -0.456589323636E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   46(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2240
 total energy-change (2. order) :-0.1291090E-04  (-0.1930204E-06)
 number of electron    2497.9999882 magnetization 
 augmentation part      162.6948309 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3782
  3.9824  2.5789  1.8456  1.0455  1.0455  1.3330  1.1189  1.1189  0.9930  0.9930
  0.9426  0.9426  0.6377  0.7166

  free energy =  -0.456574310338E+04  energy without entropy=  -0.456589325063E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   46(  16)  ---------------------------------------



 eigenvalue-minimisations  :  2216
 total energy-change (2. order) :-0.5958311E-05  (-0.7716085E-07)
 number of electron    2497.9999882 magnetization 
 augmentation part      162.6948309 magnetization 

  free energy =  -0.456574310934E+04  energy without entropy=  -0.456589325585E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0236       2 -56.1559       3 -56.0661       4 -55.7974       5 -55.7953
       6 -56.2932       7 -58.1533       8 -58.2681       9 -56.2741      10 -55.9594
      11 -56.0174      12 -55.7887      13 -55.7869      14 -55.9612      15 -58.1067
      16 -58.0730      17 -56.3135      18 -54.9334      19 -54.8810      20 -55.1263
      21 -55.6371      22 -55.6518      23 -55.7246      24 -55.6197      25 -54.9320
      26 -54.8285      27 -54.9421      28 -54.8998      29 -60.3910      30 -60.3539
      31 -55.6421      32 -55.8386      33 -55.7256      34 -55.2690      35 -55.4800
      36 -55.9696      37 -57.8212      38 -58.0576      39 -56.0644      40 -55.7805
      41 -55.9201      42 -55.7023      43 -55.7414      44 -55.8902      45 -58.1305
      46 -58.1703      47 -56.4456      48 -55.1313      49 -54.9777      50 -55.2944
      51 -55.9182      52 -55.8766      53 -55.7794      54 -55.7410      55 -55.1045
      56 -54.8493      57 -54.9839      58 -56.3312      59 -60.3380      60 -60.6098
      61 -55.9475      62 -56.0154      63 -55.9019      64 -55.7391      65 -55.6998
      66 -56.1964      67 -58.1122      68 -58.1746      69 -56.2222      70 -55.8816
      71 -56.0064      72 -55.7025      73 -55.6568      74 -55.8875      75 -58.0703
      76 -58.1888      77 -56.4613      78 -55.1004      79 -55.0209      80 -55.2803
      81 -55.8456      82 -55.8735      83 -55.9449      84 -55.9423      85 -55.1715
      86 -55.1100      87 -55.2117      88 -56.4490      89 -60.7365      90 -60.4288
      91 -55.6966      92 -55.8243      93 -55.7183      94 -55.4645      95 -55.5333
      96 -56.0182      97 -57.8948      98 -58.0061      99 -56.1240     100 -55.8778
     101 -56.0081     102 -55.6293     103 -55.6886     104 -55.9158     105 -58.1443
     106 -58.2462     107 -56.4806     108 -55.1394     109 -54.9694     110 -55.4001
     111 -55.9536     112 -55.8550     113 -55.8205     114 -55.8077     115 -55.1576
     116 -54.9555     117 -55.0328     118 -56.3744     119 -60.4500     120 -60.6115
     121 -55.9114     122 -55.9933     123 -55.8558     124 -55.7343     125 -55.7410
     126 -56.1418     127 -58.0482     128 -58.2225     129 -56.0561     130 -55.7431
     131 -55.8496     132 -55.6032     133 -55.5546     134 -55.7853     135 -57.9360
     136 -58.0255     137 -56.4245     138 -55.0847     139 -54.9680     140 -55.2369
     141 -55.8237     142 -55.8737     143 -55.9710     144 -55.9291     145 -55.1692
     146 -55.1612     147 -55.2286     148 -56.4328     149 -60.6223     150 -60.5780
     151 -55.5615     152 -55.6203     153 -55.4688     154 -55.3038     155 -55.4057
     156 -55.8544     157 -57.9046     158 -57.8614     159 -55.9486     160 -55.7125
     161 -55.9159     162 -55.5019     163 -55.5843     164 -55.8143     165 -57.9838
     166 -58.1426     167 -56.4457     168 -55.0681     169 -54.8912     170 -55.2923
     171 -55.9513     172 -55.9248     173 -55.8217     174 -55.7410     175 -55.2906
     176 -54.7754     177 -54.9979     178 -56.4015     179 -60.4405     180 -60.6259
     181 -55.9448     182 -56.1303     183 -55.9599     184 -55.6970     185 -55.6849
     186 -56.2214     187 -58.0418     188 -58.2520     189 -56.2291     190 -55.8722
     191 -56.0217     192 -55.7427     193 -55.7204     194 -55.9358     195 -58.0704
     196 -58.2180     197 -56.4674     198 -55.0182     199 -54.9560     200 -55.2679
     201 -55.8699     202 -55.9420     203 -55.8955     204 -55.8334     205 -55.1437
     206 -55.1963     207 -55.1293     208 -56.4133     209 -60.7244     210 -60.5222
     211 -55.9400     212 -56.0976     213 -55.9468     214 -55.7178     215 -55.6757
     216 -56.2071     217 -58.0893     218 -58.2776     219 -56.1049     220 -55.7966
     221 -55.8917     222 -55.5835     223 -55.4951     224 -55.7841     225 -57.9630
     226 -58.1237     227 -56.4800     228 -55.0672     229 -55.0488     230 -55.2174
     231 -55.7328     232 -55.9562     233 -55.9688     234 -55.6716     235 -55.0468
     236 -55.1148     237 -55.1535     238 -56.4456     239 -60.3904     240 -60.3420
     241 -55.9183     242 -55.9824     243 -55.8529     244 -55.7127     245 -55.7355
     246 -56.1680     247 -58.0769     248 -58.1137     249 -56.1649     250 -55.8501
     251 -55.9562     252 -55.7023     253 -55.6941     254 -55.8767     255 -57.9843
     256 -58.0604     257 -56.3374     258 -55.0458     259 -54.8681     260 -55.1905
     261 -55.7719     262 -55.7885     263 -55.8704     264 -55.9481     265 -55.3684
     266 -54.9687     267 -55.1299     268 -56.4323     269 -60.6296     270 -60.3529
     271 -55.8543     272 -55.9364     273 -55.7577     274 -55.6660     275 -55.6364
     276 -56.0337     277 -58.1152     278 -58.1491     279 -55.9018     280 -55.6462
     281 -55.7582     282 -55.4715     283 -55.4433     284 -55.7455     285 -57.9737
     286 -58.0401     287 -56.3937     288 -54.9786     289 -54.9349     290 -55.2750
     291 -55.8808     292 -55.8569     293 -55.8469     294 -55.7956     295 -55.1293
     296 -54.9229     297 -55.0142     298 -56.3491     299 -60.3703     300 -60.5393
     301 -55.8438     302 -55.9926     303 -55.8737     304 -55.5640     305 -55.5980
     306 -56.0911     307 -58.0673     308 -58.2405     309 -56.1186     310 -55.8022
     311 -55.9536     312 -55.6627     313 -55.6297     314 -55.8680     315 -58.0002
     316 -58.1032     317 -56.3983     318 -55.0224     319 -54.8869     320 -55.2192
     321 -55.7967     322 -55.7846     323 -55.9137     324 -55.9226     325 -55.1697
     326 -55.1267     327 -55.2172     328 -56.4300     329 -60.6249     330 -60.3870
     331 -55.7873     332 -55.8026     333 -55.6950     334 -55.6159     335 -55.5971
     336 -56.0478     337 -57.9877     338 -57.9617     339 -55.9088     340 -55.5672
     341 -55.7395     342 -55.5350     343 -55.5451     344 -55.7426     345 -57.9798
     346 -57.9629     347 -56.3870     348 -54.9189     349 -54.9076     350 -55.2257
     351 -55.7864     352 -55.8106     353 -55.7786     354 -55.7283     355 -55.1769
     356 -54.8666     357 -54.9751     358 -56.3631     359 -60.4254     360 -60.5030
     361 -39.1579     362 -38.8094     363 -39.0130     364 -39.1275     365 -38.9851
     366 -38.7156     367 -38.1361     368 -37.9813     369 -38.0741     370 -38.1190
     371 -38.1715     372 -38.2115     373 -38.8102     374 -38.2934     375 -38.7082
     376 -38.9358     377 -38.8670     378 -38.7611     379 -38.1650     380 -38.1191
     381 -38.2364     382 -38.0874     383 -38.2567     384 -37.9916     385 -38.9022
     386 -38.7445     387 -38.9240     388 -38.9083     389 -38.8489     390 -38.5192
     391 -38.2411     392 -38.1922     393 -38.1967     394 -38.1205     395 -38.2782
     396 -38.2694     397 -38.7765     398 -38.4133     399 -38.7347     400 -38.9238
     401 -38.7405     402 -38.7523     403 -38.2667     404 -38.1968     405 -38.3047
     406 -38.0930     407 -38.1199     408 -38.0700     409 -38.8304     410 -38.7555
     411 -39.0056     412 -38.7539     413 -38.8876     414 -38.5859     415 -38.2462
     416 -38.1984     417 -38.0747     418 -38.2755     419 -38.3630     420 -38.2960
     421 -38.5813     422 -38.2761     423 -38.5419     424 -38.7367     425 -38.5937
     426 -38.6305     427 -38.2130     428 -38.0395     429 -38.2701     430 -38.2051
     431 -38.1514     432 -37.9939     433 -38.9086     434 -38.7455     435 -39.0194
     436 -38.7884     437 -39.0121     438 -38.6067     439 -38.4760     440 -38.0829
     441 -38.1778     442 -38.2724     443 -38.2950     444 -38.0444     445 -38.9109
     446 -38.8047     447 -38.9420     448 -38.7711     449 -38.7707     450 -38.3199
     451 -38.1071     452 -38.0146     453 -38.0602     454 -38.0315     455 -38.0242
     456 -38.0298     457 -38.9351     458 -38.6704     459 -38.8732     460 -38.9085
     461 -38.8750     462 -38.6641     463 -38.2629     464 -38.1345     465 -38.0841
     466 -38.3898     467 -38.1439     468 -38.3307     469 -38.8992     470 -38.7443
     471 -38.7695     472 -38.8285     473 -38.5693     474 -38.3818     475 -38.1486
     476 -37.9837     477 -38.2119     478 -38.1087     479 -38.1626     480 -37.9454
     481 -38.8837     482 -38.7381     483 -38.8939     484 -38.8864     485 -38.9193
     486 -38.7300     487 -38.1953     488 -38.1436     489 -38.1174     490 -38.3322
     491 -38.2207     492 -38.2961     493 -38.8577     494 -38.5471     495 -38.6921
     496 -38.7734     497 -38.5661     498 -38.5141     499 -38.1649     500 -37.8760
     501 -38.1475     502 -38.1369     503 -38.1365     504 -37.9476     505 -38.2711
     506 -41.1200     507 -71.6381     508 -71.5591     509 -71.4176     510 -71.5967
     511 -71.4443     512 -71.5768     513 -71.3409     514 -71.6080     515 -71.5674
     516 -71.4460     517 -71.3753     518 -71.5434     519 -71.5598     520 -71.6331
     521 -71.4739     522 -71.4977     523 -71.5169     524 -71.4510     525 -71.5382
     526 -71.4167     527 -71.5525     528 -71.4918     529 -71.1798     530 -71.5321
     531 -76.9303     532 -76.8566     533 -76.7218     534 -76.8384     535 -76.7200
     536 -76.5285     537 -76.8307     538 -76.8822     539 -76.9012     540 -76.8572
     541 -76.8451     542 -76.7640     543 -76.6876     544 -76.6462     545 -76.9282
     546 -76.8844     547 -76.9075     548 -76.7518     549 -76.7049     550 -76.6009
     551 -76.5557     552 -76.6387     553 -76.7258     554 -76.6361     555 -76.8806
     556 -76.7548     557 -76.9067     558 -76.7620     559 -76.9556     560 -76.7949
     561 -76.7820     562 -76.6286     563 -76.7427     564 -76.8060     565 -76.7013
     566 -76.6750     567 -76.8149     568 -76.8871     569 -76.7163     570 -76.6545
     571 -76.9455     572 -76.7736     573 -76.7809     574 -76.6864     575 -76.6163
     576 -76.6543     577 -76.5776     578 -76.6119     579 -82.3144     580 -82.3854
     581 -82.3053     582 -82.2571     583 -82.3235     584 -82.2716     585 -82.4713
     586 -82.5813     587 -82.4560     588 -82.2151     589 -82.1180     590 -82.2453
     591 -82.3843     592 -82.2607     593 -82.3250     594 -82.6730     595 -82.6894
     596 -82.6307     597 -82.5464     598 -82.4935     599 -82.5069     600 -82.3834
     601 -82.0710     602 -82.3521     603 -82.6590     604 -82.4536     605 -82.5301
     606 -82.6061     607 -82.4799     608 -82.4607     609 -82.7638     610 -82.3769
     611 -82.3596     612 -82.4256     613 -82.3480     614 -82.1985     615 -82.6303
     616 -82.4092     617 -82.4014     618 -82.7543     619 -82.8130     620 -82.6794
     621 -82.1918     622 -82.3204     623 -82.5330     624 -82.2794     625 -82.3529
     626 -82.4415     627 -82.1694     628 -82.3160     629 -82.2436     630 -82.6012
     631 -82.3044     632 -82.4909     633 -82.4563     634 -82.4875     635 -82.3678
     636 -82.2492     637 -82.2867     638 -82.1748     639 -82.1983     640 -82.3215
     641 -82.3080     642 -82.4885     643 -82.5257     644 -82.4846     645 -82.3705
     646 -82.4884     647 -82.4291     648 -82.2999     649 -82.3337     650 -82.2759
 
 
 
 E-fermi :  -1.4547     XC(G=0):  -6.4708     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.2431      2.00000
      2     -29.0378      2.00000
      3     -29.0107      2.00000
      4     -29.0105      2.00000
      5     -28.9203      2.00000
      6     -28.9133      2.00000
      7     -28.9089      2.00000
      8     -28.8796      2.00000
      9     -28.8706      2.00000
     10     -28.8283      2.00000
     11     -28.7835      2.00000
     12     -28.7771      2.00000
     13     -28.7739      2.00000
     14     -28.7699      2.00000
     15     -28.7408      2.00000
     16     -28.6530      2.00000
     17     -28.6331      2.00000
     18     -28.6160      2.00000
     19     -28.5972      2.00000
     20     -28.5968      2.00000
     21     -28.5841      2.00000
     22     -28.5700      2.00000
     23     -28.4952      2.00000
     24     -28.4786      2.00000
     25     -26.9682      2.00000
     26     -26.8220      2.00000
     27     -26.7808      2.00000
     28     -26.7679      2.00000
     29     -26.7606      2.00000
     30     -26.6905      2.00000
     31     -26.6527      2.00000
     32     -26.6494      2.00000
     33     -26.6395      2.00000
     34     -26.6279      2.00000
     35     -26.5917      2.00000
     36     -26.5866      2.00000
     37     -26.5541      2.00000
     38     -26.5443      2.00000
     39     -26.5413      2.00000
     40     -26.5129      2.00000
     41     -26.5120      2.00000
     42     -26.5071      2.00000
     43     -26.4837      2.00000
     44     -26.4793      2.00000
     45     -26.4720      2.00000
     46     -26.4653      2.00000
     47     -26.4571      2.00000
     48     -26.4342      2.00000
     49     -26.4193      2.00000
     50     -26.4101      2.00000
     51     -26.4036      2.00000
     52     -26.3971      2.00000
     53     -26.3724      2.00000
     54     -26.3667      2.00000
     55     -26.3659      2.00000
     56     -26.3639      2.00000
     57     -26.3463      2.00000
     58     -26.3330      2.00000
     59     -26.3295      2.00000
     60     -26.3276      2.00000
     61     -26.3223      2.00000
     62     -26.2798      2.00000
     63     -26.2682      2.00000
     64     -26.2601      2.00000
     65     -26.2509      2.00000
     66     -26.2368      2.00000
     67     -26.2329      2.00000
     68     -26.2174      2.00000
     69     -26.2025      2.00000
     70     -26.2011      2.00000
     71     -26.1768      2.00000
     72     -26.1510      2.00000
     73     -23.3018      2.00000
     74     -23.2902      2.00000
     75     -23.2755      2.00000
     76     -23.2379      2.00000
     77     -23.2332      2.00000
     78     -23.2275      2.00000
     79     -23.1928      2.00000
     80     -23.1851      2.00000
     81     -23.1802      2.00000
     82     -23.1628      2.00000
     83     -23.1514      2.00000
     84     -23.1456      2.00000
     85     -23.1113      2.00000
     86     -23.0803      2.00000
     87     -23.0447      2.00000
     88     -23.0217      2.00000
     89     -23.0068      2.00000
     90     -23.0005      2.00000
     91     -22.9969      2.00000
     92     -22.9920      2.00000
     93     -22.9825      2.00000
     94     -22.9761      2.00000
     95     -22.9599      2.00000
     96     -22.9597      2.00000
     97     -22.9345      2.00000
     98     -22.8855      2.00000
     99     -22.8797      2.00000
    100     -22.8363      2.00000
    101     -22.8114      2.00000
    102     -22.8052      2.00000
    103     -22.7998      2.00000
    104     -22.7846      2.00000
    105     -22.7758      2.00000
    106     -22.7721      2.00000
    107     -22.7705      2.00000
    108     -22.7288      2.00000
    109     -22.7271      2.00000
    110     -22.6550      2.00000
    111     -22.6379      2.00000
    112     -22.6229      2.00000
    113     -22.6154      2.00000
    114     -22.5723      2.00000
    115     -22.5666      2.00000
    116     -22.5619      2.00000
    117     -22.5519      2.00000
    118     -22.5436      2.00000
    119     -22.5212      2.00000
    120     -22.5165      2.00000
    121     -20.4435      2.00000
    122     -20.4100      2.00000
    123     -20.4093      2.00000
    124     -20.4062      2.00000
    125     -20.3330      2.00000
    126     -20.3273      2.00000
    127     -20.2985      2.00000
    128     -20.2789      2.00000
    129     -20.2588      2.00000
    130     -20.2533      2.00000
    131     -20.2514      2.00000
    132     -20.2307      2.00000
    133     -20.2257      2.00000
    134     -20.2139      2.00000
    135     -20.1933      2.00000
    136     -20.1764      2.00000
    137     -20.1741      2.00000
    138     -20.1578      2.00000
    139     -20.1541      2.00000
    140     -20.1020      2.00000
    141     -20.0813      2.00000
    142     -20.0698      2.00000
    143     -20.0695      2.00000
    144     -20.0589      2.00000
    145     -18.6852      2.00000
    146     -18.5889      2.00000
    147     -18.5206      2.00000
    148     -18.5161      2.00000
    149     -18.5141      2.00000
    150     -18.5112      2.00000
    151     -18.4794      2.00000
    152     -18.4559      2.00000
    153     -18.4442      2.00000
    154     -18.4272      2.00000
    155     -18.3795      2.00000
    156     -18.3626      2.00000
    157     -18.3358      2.00000
    158     -18.2719      2.00000
    159     -18.2190      2.00000
    160     -18.2018      2.00000
    161     -18.1984      2.00000
    162     -18.1781      2.00000
    163     -18.1623      2.00000
    164     -18.1421      2.00000
    165     -18.1390      2.00000
    166     -18.1330      2.00000
    167     -18.0790      2.00000
    168     -18.0578      2.00000
    169     -17.9586      2.00000
    170     -17.9296      2.00000
    171     -17.9141      2.00000
    172     -17.9029      2.00000
    173     -17.8550      2.00000
    174     -17.8349      2.00000
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    176     -17.7912      2.00000
    177     -17.7809      2.00000
    178     -17.7538      2.00000
    179     -17.7318      2.00000
    180     -17.6949      2.00000
    181     -17.6205      2.00000
    182     -17.5859      2.00000
    183     -17.5510      2.00000
    184     -17.5406      2.00000
    185     -17.5120      2.00000
    186     -17.4965      2.00000
    187     -17.4888      2.00000
    188     -17.4852      2.00000
    189     -17.4689      2.00000
    190     -17.4677      2.00000
    191     -17.4611      2.00000
    192     -17.4491      2.00000
    193     -16.7803      2.00000
    194     -16.7550      2.00000
    195     -16.6874      2.00000
    196     -16.6821      2.00000
    197     -16.6394      2.00000
    198     -16.6327      2.00000
    199     -16.6129      2.00000
    200     -16.5618      2.00000
    201     -16.5418      2.00000
    202     -16.5146      2.00000
    203     -16.4993      2.00000
    204     -16.4934      2.00000
    205     -16.1756      2.00000
    206     -16.1632      2.00000
    207     -16.1218      2.00000
    208     -16.1141      2.00000
    209     -16.0817      2.00000
    210     -16.0531      2.00000
    211     -16.0307      2.00000
    212     -15.9770      2.00000
    213     -15.9692      2.00000
    214     -15.9218      2.00000
    215     -15.8875      2.00000
    216     -15.7963      2.00000
    217     -15.7780      2.00000
    218     -15.6767      2.00000
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    220     -15.6464      2.00000
    221     -15.6361      2.00000
    222     -15.6136      2.00000
    223     -15.6118      2.00000
    224     -15.5817      2.00000
    225     -15.5717      2.00000
    226     -15.5472      2.00000
    227     -15.5344      2.00000
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    229     -15.4813      2.00000
    230     -15.4605      2.00000
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    235     -15.4294      2.00000
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    240     -15.3603      2.00000
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   1514       5.7043      0.00000
   1515       5.7152      0.00000
   1516       5.7255      0.00000
   1517       5.7443      0.00000
   1518       5.7530      0.00000
   1519       5.7653      0.00000
   1520       5.7862      0.00000
   1521       5.7893      0.00000
   1522       5.7941      0.00000
   1523       5.8049      0.00000
   1524       5.8157      0.00000
   1525       5.8246      0.00000
   1526       5.8296      0.00000
   1527       5.8442      0.00000
   1528       5.8561      0.00000
   1529       5.8674      0.00000
   1530       5.8760      0.00000
   1531       5.8896      0.00000
   1532       5.9010      0.00000
   1533       5.9129      0.00000
   1534       5.9193      0.00000
   1535       5.9256      0.00000
   1536       5.9298      0.00000
   1537       5.9396      0.00000
   1538       5.9527      0.00000
   1539       5.9535      0.00000
   1540       5.9746      0.00000
   1541       5.9761      0.00000
   1542       5.9785      0.00000
   1543       5.9916      0.00000
   1544       6.0015      0.00000
   1545       6.0113      0.00000
   1546       6.0198      0.00000
   1547       6.0279      0.00000
   1548       6.0322      0.00000
   1549       6.0402      0.00000
   1550       6.0487      0.00000
   1551       6.0633      0.00000
   1552       6.0675      0.00000
   1553       6.0774      0.00000
   1554       6.0911      0.00000
   1555       6.0972      0.00000
   1556       6.1041      0.00000
   1557       6.1222      0.00000
   1558       6.1297      0.00000
   1559       6.1417      0.00000
   1560       6.1456      0.00000
   1561       6.1480      0.00000
   1562       6.1585      0.00000
   1563       6.1606      0.00000
   1564       6.1822      0.00000
   1565       6.1830      0.00000
   1566       6.1959      0.00000
   1567       6.2012      0.00000
   1568       6.2052      0.00000
   1569       6.2212      0.00000
   1570       6.2228      0.00000
   1571       6.2267      0.00000
   1572       6.2356      0.00000
   1573       6.2514      0.00000
   1574       6.2592      0.00000
   1575       6.2715      0.00000
   1576       6.2724      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.087  13.411  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.411  17.829  -0.001   0.001  -0.000   0.003  -0.005   0.000
 -0.001  -0.001  -4.232   0.003   0.001   8.278  -0.004  -0.001
  0.001   0.001   0.003  -4.232   0.001  -0.004   8.276  -0.001
 -0.000  -0.000   0.001   0.001  -4.225  -0.001  -0.001   8.268
  0.002   0.003   8.278  -0.004  -0.001 -18.320   0.006   0.001
 -0.004  -0.005  -0.004   8.276  -0.001   0.006 -18.315  -0.000
  0.000   0.000  -0.001  -0.001   8.268   0.001  -0.000 -18.310
 total augmentation occupancy for first ion, spin component:           1
  8.452  -3.806   0.166   0.113  -0.043   0.021   0.022  -0.007
 -3.806   1.788  -0.086  -0.080   0.025  -0.009  -0.013   0.004
  0.166  -0.086   1.787  -0.066  -0.040   0.169  -0.011  -0.007
  0.113  -0.080  -0.066   1.896  -0.074  -0.011   0.177  -0.010
 -0.043   0.025  -0.040  -0.074   1.217  -0.008  -0.010   0.080
  0.021  -0.009   0.169  -0.011  -0.008   0.018  -0.002  -0.001
  0.022  -0.013  -0.011   0.177  -0.010  -0.002   0.018  -0.001
 -0.007   0.004  -0.007  -0.010   0.080  -0.001  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -52121.82686 99692.20934 27170.72442-11919.27570  6752.04429 21777.12788
  Hartree  3358.77424126539.65242 65346.24631-12240.31671  4721.43646 16195.66987
  E(xc)  -10736.20200-10589.83303-10633.60183     2.51487     8.04136    31.66041
  Local   15341.77528************************ 24144.23296-11502.78608-37402.79912
  n-local -5849.58887 -5975.68592 -6036.19559     3.98640    17.34959   -61.85408
  augment  1493.10251  1536.05405  1486.78493     5.57897    13.22562    -2.37622
  Kinetic 45532.10596 43207.32563 43713.77815   -19.02401   -72.49756  -545.18324
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -74.0010098   -426.0360053   -120.1868662    -22.3032202    -63.1863083     -7.7545038
  in kB      -12.3402607    -71.0449140    -20.0421220     -3.7192405    -10.5368227     -1.2931256
  external PRESSURE =     -34.4757656 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.248E+03 -.117E+03 0.248E+03   0.248E+03 0.117E+03 -.250E+03   -.136E+00 -.439E+00 0.141E+01   -.788E-04 -.738E-04 -.107E-03
   -.206E+03 -.139E+03 0.562E+02   0.206E+03 0.141E+03 -.560E+02   0.182E+00 -.131E+01 -.517E+00   -.101E-03 -.655E-04 0.616E-08
   -.175E+03 -.125E+03 0.359E+01   0.175E+03 0.127E+03 -.204E+01   0.314E+00 -.143E+01 -.161E+01   -.119E-03 -.359E-04 0.235E-04
   -.229E+03 -.103E+03 0.346E+03   0.230E+03 0.103E+03 -.349E+03   -.121E+00 -.929E-01 0.250E+01   -.462E-04 -.146E-04 -.304E-03
   -.181E+03 -.150E+03 0.308E+03   0.181E+03 0.151E+03 -.309E+03   0.122E+00 -.709E+00 0.959E+00   -.928E-04 -.181E-04 -.260E-03
   -.160E+03 -.113E+03 0.169E+03   0.160E+03 0.113E+03 -.169E+03   0.148E+00 -.157E+00 0.135E+00   -.136E-03 -.309E-04 -.698E-04
   -.250E+03 -.134E+03 0.183E+03   0.249E+03 0.139E+03 -.184E+03   0.654E+00 -.435E+01 0.913E+00   -.508E-04 -.113E-03 -.101E-03
   -.188E+03 -.120E+03 0.328E+02   0.188E+03 0.124E+03 -.349E+02   -.427E+00 -.411E+01 0.193E+01   -.101E-03 -.924E-04 -.927E-05
   -.118E+03 0.552E+01 0.199E+03   0.118E+03 -.550E+01 -.199E+03   0.533E-01 0.108E+00 0.258E+00   -.156E-03 -.185E-04 -.342E-04
   -.904E+02 0.874E+02 0.654E+02   0.899E+02 -.888E+02 -.644E+02   0.541E+00 0.163E+01 -.105E+01   -.116E-03 -.500E-05 0.113E-03
   -.102E+03 0.111E+03 0.138E+03   0.101E+03 -.112E+03 -.138E+03   0.263E+00 0.117E+01 -.135E+00   -.701E-04 0.601E-04 0.123E-03
   -.120E+03 0.129E+01 0.337E+03   0.121E+03 -.159E+01 -.338E+03   -.233E+00 0.291E+00 0.111E+01   -.175E-03 -.920E-05 -.151E-03
   -.121E+03 -.361E+02 0.369E+03   0.121E+03 0.372E+02 -.371E+03   0.115E+00 -.938E+00 0.229E+01   -.135E-03 0.538E-04 -.964E-04
   -.130E+03 0.310E+02 0.309E+03   0.130E+03 -.312E+02 -.310E+03   -.382E+00 -.463E-01 0.137E+01   -.667E-04 0.109E-03 0.417E-04
   -.121E+03 0.115E+03 0.271E+03   0.120E+03 -.119E+03 -.273E+03   0.616E+00 0.388E+01 0.206E+01   0.231E-06 0.121E-03 0.802E-04
   -.933E+02 0.123E+03 0.109E+03   0.930E+02 -.126E+03 -.112E+03   0.304E+00 0.306E+01 0.334E+01   -.314E-04 0.629E-04 0.144E-03
   -.889E+02 0.118E+03 0.625E+02   0.893E+02 -.113E+03 -.583E+02   -.457E+00 -.472E+01 -.399E+01   -.412E-06 0.388E-04 0.992E-05
   -.191E+02 0.206E+03 -.153E+03   0.184E+02 -.207E+03 0.156E+03   0.632E+00 0.181E+01 -.203E+01   -.748E-05 -.129E-04 -.526E-04
   0.167E+02 0.154E+03 -.203E+03   -.168E+02 -.154E+03 0.205E+03   0.227E+00 0.263E+00 -.183E+01   -.115E-04 0.146E-04 -.919E-04
   -.798E+02 0.121E+03 0.187E+03   0.809E+02 -.120E+03 -.190E+03   -.104E+01 -.958E+00 0.307E+01   -.360E-05 0.385E-04 -.945E-05
   -.115E+02 0.773E+02 -.422E+01   0.103E+02 -.790E+02 0.540E+01   0.132E+01 0.151E+01 -.143E+01   -.384E-04 -.189E-04 -.601E-04
   -.111E+02 0.147E+02 -.141E+03   0.112E+02 -.149E+02 0.142E+03   0.154E+00 0.207E+00 -.905E+00   -.369E-04 -.234E-04 -.995E-04
   -.545E+02 -.298E+02 -.181E+03   0.548E+02 0.301E+02 0.180E+03   -.419E+00 -.334E+00 0.750E+00   -.221E-04 -.368E-04 -.107E-03
   -.545E+02 -.668E+02 -.239E+03   0.557E+02 0.684E+02 0.238E+03   -.125E+01 -.173E+01 0.133E+01   0.821E-05 -.655E-04 -.125E-03
   -.332E+02 -.156E+03 -.350E+03   0.327E+02 0.156E+03 0.352E+03   0.301E+00 -.575E+00 -.179E+01   0.931E-04 -.642E-04 -.140E-03
   -.119E+03 -.167E+03 -.164E+03   0.120E+03 0.168E+03 0.162E+03   -.824E+00 -.245E+00 0.179E+01   -.132E-04 -.312E-04 -.755E-04
   -.976E+02 -.288E+03 -.195E+03   0.979E+02 0.289E+03 0.195E+03   -.191E+00 -.850E+00 0.613E+00   0.262E-04 0.339E-04 -.658E-04
   -.511E+02 -.266E+03 -.305E+03   0.511E+02 0.267E+03 0.306E+03   -.347E-01 -.133E+01 -.307E+00   0.105E-03 0.510E-04 -.116E-03
   -.557E+02 -.209E+02 -.229E+03   0.617E+02 0.287E+02 0.225E+03   -.601E+01 -.785E+01 0.503E+01   -.320E-04 -.614E-04 -.942E-04
   -.135E+02 0.522E+02 0.276E+02   0.823E+01 -.608E+02 -.229E+02   0.508E+01 0.873E+01 -.473E+01   -.150E-03 0.180E-04 -.261E-03
   -.222E+03 -.280E+02 -.408E+02   0.222E+03 0.284E+02 0.424E+02   -.250E+00 -.150E+00 -.161E+01   -.530E-04 -.108E-03 0.952E-04
   -.152E+03 -.152E+03 0.136E+03   0.152E+03 0.153E+03 -.136E+03   0.122E+00 -.147E+01 -.171E+00   -.738E-04 -.567E-04 0.555E-04
   -.167E+03 -.153E+03 0.179E+03   0.167E+03 0.154E+03 -.180E+03   0.934E-02 -.183E+01 0.833E+00   -.559E-04 -.364E-04 0.575E-04
   -.321E+03 0.771E+01 -.164E+03   0.321E+03 -.967E+01 0.167E+03   0.323E+00 0.183E+01 -.280E+01   0.851E-04 -.948E-04 0.184E-03
   -.307E+03 -.687E+02 -.191E+03   0.307E+03 0.688E+02 0.192E+03   0.183E+00 -.113E-02 -.131E+01   0.162E-03 -.815E-04 0.198E-03
   -.231E+03 -.699E+02 -.759E+01   0.230E+03 0.696E+02 0.771E+01   0.383E+00 0.441E-01 -.174E+00   0.443E-04 -.575E-04 0.108E-03
   -.127E+03 -.547E+02 -.372E+01   0.128E+03 0.586E+02 0.613E+01   -.891E+00 -.409E+01 -.268E+01   -.108E-03 -.169E-03 0.126E-03
   -.771E+02 -.144E+03 0.113E+03   0.775E+02 0.147E+03 -.109E+03   -.408E+00 -.310E+01 -.374E+01   -.905E-04 -.536E-04 0.508E-04
   -.204E+03 0.457E+02 -.175E+02   0.204E+03 -.460E+02 0.176E+02   0.136E+00 0.294E+00 -.105E+00   0.598E-04 -.564E-04 0.102E-03
   -.121E+03 0.580E+02 0.190E+03   0.121E+03 -.591E+02 -.192E+03   0.116E+00 0.142E+01 0.180E+01   -.209E-04 -.264E-04 0.699E-04
   -.826E+02 0.812E+02 0.106E+03   0.826E+02 -.826E+02 -.106E+03   0.190E+00 0.156E+01 0.493E+00   0.119E-04 -.302E-04 0.609E-04
   -.233E+03 0.853E+02 -.233E+03   0.233E+03 -.862E+02 0.234E+03   0.993E-01 0.882E+00 -.898E+00   0.169E-03 -.112E-03 0.135E-03
   -.194E+03 0.413E+02 -.306E+03   0.194E+03 -.413E+02 0.308E+03   0.564E-01 0.228E+00 -.226E+01   0.138E-03 -.123E-03 0.611E-04
   -.122E+03 0.621E+02 -.161E+03   0.122E+03 -.629E+02 0.162E+03   -.235E+00 0.722E+00 -.121E+01   0.733E-04 -.551E-04 0.191E-04
   -.667E+02 0.108E+03 -.988E+02   0.666E+02 -.114E+03 0.985E+02   0.106E+00 0.459E+01 -.509E+00   0.650E-04 0.215E-05 -.297E-04
   -.274E+02 0.896E+02 0.131E+03   0.270E+02 -.940E+02 -.129E+03   0.312E+00 0.446E+01 -.195E+01   0.149E-04 0.193E-04 0.110E-03
   0.237E+02 0.559E+02 0.967E+02   -.221E+02 -.503E+02 -.986E+02   -.182E+01 -.554E+01 0.191E+01   0.496E-04 0.656E-04 0.103E-04
   -.932E+01 0.133E+03 0.277E+03   0.103E+02 -.134E+03 -.280E+03   -.106E+01 0.119E+01 0.267E+01   0.478E-04 0.706E-04 0.406E-04
   -.386E+02 0.129E+03 0.243E+03   0.395E+02 -.129E+03 -.245E+03   -.948E+00 -.366E+00 0.193E+01   0.411E-04 0.420E-04 0.325E-04
   0.456E+02 0.779E+02 -.546E+02   -.466E+02 -.781E+02 0.576E+02   0.121E+01 0.235E+00 -.315E+01   0.390E-04 0.524E-04 -.376E-04
   0.470E+01 0.307E+02 0.270E+02   -.423E+01 -.319E+02 -.291E+02   -.617E+00 0.118E+01 0.211E+01   0.210E-05 0.301E-04 -.279E-04
   -.157E+02 0.162E+02 0.899E+02   0.162E+02 -.160E+02 -.908E+02   -.598E+00 -.204E+00 0.844E+00   0.662E-05 0.326E-04 0.619E-05
   -.861E+02 0.497E+01 0.432E+02   0.860E+02 -.511E+01 -.425E+02   0.123E+00 0.181E+00 -.695E+00   -.114E-04 0.308E-04 0.514E-06
   -.175E+03 -.159E+02 0.974E+02   0.174E+03 0.169E+02 -.956E+02   0.740E+00 -.896E+00 -.202E+01   0.204E-04 -.861E-05 0.213E-04
   -.265E+03 -.759E+02 0.172E+03   0.267E+03 0.760E+02 -.175E+03   -.142E+01 -.105E+00 0.312E+01   -.740E-05 -.571E-04 0.116E-04
   -.903E+02 -.117E+03 -.121E+03   0.899E+02 0.117E+03 0.122E+03   0.398E+00 0.423E+00 -.163E+01   -.774E-04 0.241E-04 -.689E-05
   -.120E+03 -.126E+03 -.164E+03   0.119E+03 0.127E+03 0.167E+03   0.894E+00 -.119E+01 -.281E+01   -.116E-03 -.334E-04 0.410E-04
   -.196E+03 -.601E+02 0.332E+02   0.195E+03 0.542E+02 -.312E+02   0.100E+01 0.611E+01 -.203E+01   -.667E-04 -.946E-04 0.246E-04
   -.208E+03 0.193E+02 0.151E+03   0.205E+03 -.137E+02 -.143E+03   0.294E+01 -.613E+01 -.875E+01   0.110E-03 -.232E-04 -.269E-04
   -.501E+02 0.390E+01 -.514E+02   0.520E+02 -.107E+02 0.430E+02   -.189E+01 0.669E+01 0.874E+01   -.268E-04 -.190E-04 -.706E-04
   -.375E+03 -.763E+02 0.811E+02   0.375E+03 0.769E+02 -.823E+02   -.261E-01 -.238E+00 0.141E+01   0.560E-03 -.370E-06 -.414E-04
   -.374E+03 -.104E+03 -.869E+02   0.374E+03 0.105E+03 0.873E+02   0.215E+00 -.112E+01 -.521E+00   0.438E-03 -.353E-04 -.879E-04
   -.342E+03 -.904E+02 -.132E+03   0.342E+03 0.912E+02 0.133E+03   0.836E-01 -.135E+01 -.161E+01   0.304E-03 -.380E-04 -.353E-04
   -.317E+03 -.655E+02 0.168E+03   0.317E+03 0.654E+02 -.170E+03   -.198E+00 -.250E+00 0.221E+01   0.542E-03 -.861E-04 -.922E-04
   -.264E+03 -.112E+03 0.129E+03   0.264E+03 0.113E+03 -.130E+03   0.913E-01 -.764E+00 0.889E+00   0.356E-03 -.826E-04 -.643E-04
   -.284E+03 -.823E+02 0.587E+00   0.284E+03 0.823E+02 -.525E+00   0.777E-01 -.113E+00 0.583E-01   0.267E-03 -.184E-04 -.122E-04
   -.383E+03 -.109E+03 0.670E+01   0.382E+03 0.114E+03 -.610E+01   0.506E+00 -.412E+01 0.857E+00   0.624E-03 0.785E-04 0.384E-04
   -.382E+03 -.977E+02 -.486E+02   0.383E+03 0.102E+03 0.451E+02   -.582E+00 -.404E+01 0.190E+01   0.429E-03 -.180E-04 -.147E-03
   -.240E+03 0.434E+02 0.245E+02   0.240E+03 -.435E+02 -.245E+02   -.494E-01 0.187E+00 0.217E+00   0.157E-03 0.818E-05 0.241E-04
   -.262E+03 0.117E+03 -.716E+02   0.262E+03 -.118E+03 0.727E+02   0.177E+00 0.173E+01 -.101E+01   0.118E-03 0.674E-05 -.745E-05
   -.262E+03 0.133E+03 -.126E+01   0.262E+03 -.135E+03 0.101E+01   0.215E+00 0.145E+01 0.693E-01   0.113E-03 -.301E-04 0.884E-05
   -.186E+03 0.415E+02 0.130E+03   0.186E+03 -.419E+02 -.131E+03   -.217E+00 0.310E+00 0.111E+01   0.113E-03 -.370E-04 0.575E-04
   -.178E+03 -.111E+02 0.141E+03   0.178E+03 0.122E+02 -.143E+03   0.254E-01 -.100E+01 0.254E+01   0.793E-04 -.116E-03 0.941E-04
   -.239E+03 0.379E+02 0.121E+03   0.239E+03 -.382E+02 -.122E+03   -.194E+00 0.987E-01 0.148E+01   0.102E-03 -.890E-04 0.768E-04
   -.254E+03 0.970E+02 0.108E+03   0.253E+03 -.102E+03 -.110E+03   0.462E+00 0.399E+01 0.211E+01   0.931E-04 -.882E-04 0.914E-04
   -.283E+03 0.144E+03 0.719E+02   0.283E+03 -.147E+03 -.756E+02   0.154E+00 0.322E+01 0.355E+01   0.125E-03 -.210E-04 -.605E-04
   -.282E+03 0.109E+03 0.102E+03   0.281E+03 -.104E+03 -.982E+02   0.244E+00 -.472E+01 -.395E+01   0.807E-04 -.859E-04 0.909E-05
   -.162E+03 0.204E+03 0.243E+02   0.161E+03 -.206E+03 -.224E+02   0.897E+00 0.175E+01 -.189E+01   0.843E-04 -.152E-04 -.705E-04
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   0.502E+01 0.531E+03 -.981E+02   -.965E+01 -.581E+03 0.964E+02   0.435E+01 0.511E+02 0.185E+01   0.145E-03 0.963E-04 -.562E-05
   -.233E+03 -.103E+03 0.177E+03   0.258E+03 0.115E+03 -.223E+03   -.237E+02 -.118E+02 0.458E+02   -.941E-04 0.155E-04 -.750E-05
   -.329E+03 -.313E+03 0.111E+03   0.348E+03 0.340E+03 -.149E+03   -.191E+02 -.269E+02 0.386E+02   -.651E-04 0.160E-03 -.140E-03
   0.122E+03 -.502E+03 -.268E+03   -.137E+03 0.537E+03 0.305E+03   0.144E+02 -.354E+02 -.377E+02   0.132E-03 0.108E-03 -.196E-04
   -.381E+03 -.938E+02 -.352E+02   0.422E+03 0.711E+02 0.581E+02   -.411E+02 0.229E+02 -.232E+02   -.608E-06 -.979E-05 0.255E-04
   0.873E+03 -.467E+02 -.180E+03   -.917E+03 0.693E+02 0.162E+03   0.437E+02 -.229E+02 0.188E+02   -.382E-03 -.175E-04 0.117E-03
   0.466E+03 0.416E+03 0.306E+02   -.451E+03 -.444E+03 -.708E+02   -.148E+02 0.282E+02 0.404E+02   -.883E-04 -.252E-04 -.809E-04
   0.759E+03 0.303E+03 -.414E+03   -.777E+03 -.336E+03 0.451E+03   0.179E+02 0.330E+02 -.372E+02   -.507E-03 -.217E-03 0.515E-04
   0.393E+03 -.655E+02 -.616E+03   -.424E+03 0.796E+02 0.655E+03   0.316E+02 -.142E+02 -.388E+02   0.342E-04 -.629E-04 0.127E-04
   0.218E+02 -.388E+03 -.806E+02   0.699E+01 0.430E+03 0.668E+02   -.287E+02 -.418E+02 0.138E+02   0.195E-03 0.393E-04 -.630E-04
   0.263E+03 0.166E+03 0.114E+03   -.295E+03 -.171E+03 -.157E+03   0.327E+02 0.524E+01 0.421E+02   -.278E-04 -.527E-04 -.216E-03
   -.234E+03 -.169E+03 -.388E+03   0.273E+03 0.176E+03 0.422E+03   -.393E+02 -.684E+01 -.349E+02   0.899E-04 -.406E-04 -.107E-03
   0.259E+03 0.353E+03 -.206E+03   -.273E+03 -.400E+03 0.222E+03   0.146E+02 0.473E+02 -.161E+02   0.426E-03 0.154E-03 -.134E-03
   -.597E+02 -.360E+02 0.129E+03   0.827E+02 0.291E+02 -.177E+03   -.231E+02 0.687E+01 0.477E+02   0.120E-03 -.153E-04 -.459E-04
   -.270E+03 -.405E+03 0.415E+03   0.299E+03 0.434E+03 -.447E+03   -.290E+02 -.291E+02 0.322E+02   0.131E-03 -.211E-03 0.578E-04
   0.160E+03 -.501E+03 -.127E+03   -.182E+03 0.532E+03 0.162E+03   0.214E+02 -.310E+02 -.357E+02   0.165E-03 -.760E-04 0.967E-04
   -.244E+03 -.123E+03 0.734E+01   0.277E+03 0.974E+02 0.223E+02   -.339E+02 0.260E+02 -.300E+02   0.139E-03 -.182E-03 0.259E-04
   -.272E+01 -.165E+03 0.840E+03   -.242E+02 0.191E+03 -.879E+03   0.272E+02 -.267E+02 0.385E+02   -.671E-04 0.217E-04 -.591E-03
   -.189E+03 0.213E+03 0.641E+03   0.225E+03 -.241E+03 -.668E+03   -.351E+02 0.286E+02 0.270E+02   -.127E-03 0.906E-04 -.295E-03
   0.113E+03 0.409E+03 0.310E+03   -.148E+03 -.441E+03 -.293E+03   0.349E+02 0.322E+02 -.175E+02   -.347E-04 0.446E-04 -.209E-03
 -----------------------------------------------------------------------------------------------
   0.240E+01 0.512E-01 -.361E+01   -.253E-11 0.233E-11 -.139E-10   -.240E+01 -.517E-01 0.361E+01   0.109E-01 0.113E-02 0.301E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.01912      3.16086      1.37578        -0.042764      0.258672      0.126532
     12.81934      3.58523      2.69364        -0.019456     -0.117860     -0.302464
     12.78598      4.95168      3.02664         0.015798     -0.301562     -0.057066
     13.04102      4.08880      0.34400         0.096101     -0.274384      0.022794
     12.94960      5.43528      0.67491         0.000321      0.110778     -0.110049
     12.89745      5.92618      1.99812         0.036582     -0.059066      0.059140
     13.15738      1.68341      1.32536        -0.110710      0.369939      0.670638
     12.63165      2.34211      3.51769         0.059095     -0.019735     -0.159227
     13.01235      7.40792      2.23300        -0.028807      0.124919      0.165097
     12.99547      8.00737      3.51761         0.079798      0.228497     -0.004640
     13.27807      9.37226      3.65720         0.014134      0.153065     -0.263304
     13.20516      8.29261      1.14278        -0.065419     -0.002655     -0.127921
     13.41451      9.66716      1.27353         0.105111      0.180649      0.095007
     13.49429     10.20249      2.55972        -0.169616     -0.228907     -0.131915
     13.69918     11.60754      3.01830        -0.003937     -0.735849      0.547665
     13.38394     10.21497      4.88365         0.015876     -0.100669      0.112830
     13.73057     12.70180      5.35168        -0.066485     -0.074306      0.212141
     13.43222     12.59689      6.71597        -0.013734     -0.179347      0.184892
     13.42946     13.71213      7.55978         0.053620     -0.098160      0.043288
     14.06285     13.99406      4.92476         0.006298     -0.076568      0.022347
     14.06575     15.10668      5.79723         0.123411     -0.113978     -0.253393
     13.75892     15.03324      7.19732         0.191570      0.013985      0.098280
     13.84714     16.15464      8.26121        -0.087724     -0.067013      0.082785
     13.28722     16.12186      9.59735        -0.069949     -0.127967      0.056023
     13.37671     17.23436     10.44711        -0.120543     -0.099847      0.112396
     14.47588     17.39954      7.98468         0.030747     -0.061853     -0.053566
     14.45914     18.53046      8.80507         0.159756     -0.070852      0.065277
     13.91927     18.44786     10.07094        -0.040110     -0.052560      0.167867
     12.49541     15.00889     10.26933        -0.063862     -0.036500      0.159253
     14.63965     16.31761      5.11943        -0.214573      0.101162     -0.012361
      9.71283      3.85547      4.78391         0.055166      0.258126     -0.044792
      9.74607      4.79603      3.75723         0.053233     -0.140662      0.143246
      9.87714      6.16624      4.05562        -0.102178     -0.261917     -0.217033
      9.78756      4.25109      6.10869         0.099662     -0.129445      0.074253
      9.84069      5.60397      6.40710         0.123599      0.122476     -0.105388
      9.90619      6.60394      5.40559         0.078261     -0.198962     -0.050143
      9.48418      2.49998      4.25169         0.006117     -0.169056     -0.268619
      9.63405      4.02879      2.46475        -0.010923     -0.106604      0.092461
     10.00207      8.04350      5.79420         0.038304      0.074439     -0.059988
     10.13796      9.06325      4.82484        -0.068808      0.320243      0.114094
     10.22220     10.39282      5.22743         0.165677      0.203589      0.308298
      9.93442      8.45006      7.15053         0.102560     -0.056806     -0.010338
     10.01474      9.78551      7.55701        -0.000814      0.250228     -0.128922
     10.17901     10.76180      6.57467        -0.027254     -0.119100     -0.008046
     10.27400     12.24690      6.69276         0.057913     -0.673487     -0.859076
     10.37250     11.64058      4.42398        -0.114029      0.060636     -0.191830
     10.80065     14.09116      4.97679        -0.199252      0.108970      0.028244
     11.30305     14.41769      3.71362        -0.074097     -0.022422     -0.033333
     11.71072     15.72248      3.41837        -0.043151      0.035532     -0.069299
     10.68921     15.16460      5.87656         0.155463      0.054563     -0.056205
     11.04351     16.49613      5.54634        -0.140315      0.038195      0.004242
     11.59165     16.85952      4.24459        -0.135890      0.017637     -0.026206
     12.02658     18.25998      3.71411        -0.008063      0.046996     -0.003944
     12.56705     18.67541      2.43347        -0.008981      0.072619     -0.170731
     12.84886     20.02693      2.13482        -0.073197      0.052074      0.047914
     11.90987     19.36932      4.56967         0.051488      0.027612      0.145115
     12.16682     20.71058      4.28828         0.128004      0.029134      0.123819
     12.61304     21.08400      3.02150         0.000858      0.227890     -0.074729
     12.94847     17.81763      1.23957         0.100754     -0.512287     -0.313248
     10.79619     17.42573      6.73363        -0.024679     -0.079036      0.278596
     10.34286      7.09271     14.62829        -0.011633      0.314845      0.280190
     10.22038      7.52060     15.95978         0.127297      0.070264     -0.169177
     10.23786      8.89963     16.29840         0.138933     -0.522503     -0.068734
     10.35825      8.05465     13.61171         0.011805     -0.347346      0.147680
     10.31174      9.40909     13.95760         0.031842     -0.073670      0.043148
     10.31474      9.89971     15.28625         0.147503     -0.060791      0.120451
     10.41244      5.58536     14.57985        -0.374709      1.241769      1.461770
     10.03804      6.26907     16.81301         0.259747      0.247146     -1.540070
     10.42085     11.40357     15.54520        -0.040011      0.121443      0.220230
     10.40947     11.99863     16.84109         0.049305      0.184380      0.104114
     10.57704     13.39056     17.00635         0.062798      0.123501     -0.177539
     10.55025     12.32300     14.46817        -0.062672     -0.019899     -0.057055
     10.68649     13.70845     14.62080         0.091467      0.126475      0.119774
     10.72857     14.23932     15.91000        -0.081976     -0.198483     -0.007600
     10.85625     15.66066     16.36244         0.008270     -0.578934      0.271949
     10.59946     14.26706     18.23693         0.102579     -0.030168     -0.123453
     10.69114     16.82907     18.65747         0.050185     -0.080871     -0.104455
     10.16558     16.76256     19.94622        -0.109793      0.065859      0.060430
      9.96431     17.92121     20.70981        -0.106644      0.004434      0.204150
     11.06943     18.12922     18.25542         0.064081     -0.141167      0.009326
     10.96279     19.27323     19.08577         0.055672      0.013274     -0.180665
     10.38408     19.23672     20.41745         0.094551     -0.150010     -0.108613
     10.19409     20.36977      0.20428        -0.244660      0.021444      0.108764
      9.60545     20.29936      1.53639        -0.358235      0.062845     -0.025258
      9.39508      0.18958      2.32841         0.071838      0.090837      0.034448
     10.56464      0.44994     21.17312        -0.016137     -0.048842     -0.109211
     10.24692      1.60360      0.64540        -0.096932      0.066206     -0.019616
      9.66748      1.50339      1.91572         0.167019      0.005189     -0.049293
      8.96203     19.10901      2.25100         0.395788     -0.077452     -0.070503
     11.55198     20.49364     18.39645         0.155645      0.119022     -0.126307
      7.14766      7.64624     17.47879         0.065909      0.171051     -0.001580
      7.14240      8.59935     16.45724         0.127314     -0.218812      0.009870
      7.20487      9.97356     16.74343        -0.153454     -0.161093     -0.056766
      7.24717      8.04251     18.80721         0.055037     -0.131481     -0.133530
      7.26488      9.40638     19.09288         0.163161      0.011433      0.041389
      7.23746     10.41222     18.09513         0.051541     -0.023197     -0.170528
      6.86999      6.29237     16.92458         0.118657      0.553242     -0.557696
      7.02956      7.84473     15.15542        -0.151391     -0.198656      0.218110
      7.23202     11.86565     18.49080         0.098812      0.084445      0.020162
      7.32401     12.93980     17.56685        -0.120902      0.336762     -0.004756
      7.28268     14.26690     18.02519         0.018748      0.120469      0.273897
      7.17446     12.22226     19.86037         0.119209     -0.101200     -0.049367
      7.19805     13.53691     20.32052         0.012020      0.324896     -0.089508
      7.20631     14.57205     19.38913         0.026886     -0.230279     -0.136736
      7.18082     16.05119     19.59123         0.143493     -0.662303     -0.890679
      7.38653     15.57351     17.29172        -0.106884     -0.075745      0.195463
      7.57779     18.02730     18.02342        -0.226773      0.054047     -0.029940
      8.28676     18.42147     16.88730        -0.057995     -0.098115      0.042454
      8.61550     19.75663     16.68273         0.055700      0.172846     -0.090986
      7.19212     19.07289     18.88792         0.087280      0.066742      0.064809
      7.43354     20.44503     18.59747        -0.029639      0.046554     -0.056312
      8.19483     20.86974     17.42926         0.050279      0.113627     -0.062323
      8.67463      1.01588     16.92633         0.232809     -0.143234      0.002565
      9.28024      1.36415     15.64143         0.060512      0.544279      0.275694
      9.68106      2.69483     15.35101         0.373057      0.037279      0.003636
      8.64271      2.13317     17.79157        -0.051272     -0.354295      0.026442
      9.12622      3.41621     17.52257         0.089016      0.182941     -0.144953
      9.64942      3.76528     16.26895         0.026221     -0.027769     -0.351391
      9.70490      0.50419     14.44990         0.240206     -0.654202      0.040573
      6.81998      0.10144     19.65122        -0.168918     -0.083474      0.058242
      6.95415     10.87163      6.11537        -0.007937      0.267946      0.152472
      6.81143     11.32300      7.43005         0.019617     -0.093314     -0.224088
      6.89110     12.69152      7.75087        -0.004948     -0.358499     -0.010242
      7.24446     11.77775      5.09600        -0.120147     -0.363199      0.112318
      7.34337     13.12891      5.42002        -0.056801     -0.010306      0.041853
      7.14040     13.64315      6.72690        -0.007635     -0.043085      0.059202
      6.92895      9.38484      6.07541        -0.018669      0.136334      0.319555
      6.71393     10.09672      8.29756         0.062340     -0.088536     -0.270113
      7.24040     15.12716      6.96433        -0.010982      0.208607      0.126744
      7.08167     15.76015      8.22526         0.083093      0.334641      0.083753
      7.21493     17.16360      8.33582         0.102156      0.064812     -0.102005
      7.55019     15.98553      5.87782        -0.116407      0.023916     -0.031776
      7.58759     17.37354      5.96497        -0.118369      0.255268      0.269127
      7.41598     17.97444      7.21843        -0.003345     -0.253716      0.067742
      7.63603     19.39890      7.64053        -0.168077     -0.211829      0.150927
      7.34947     18.04735      9.55017        -0.031570     -0.018814     -0.331954
      7.62430     20.57676      9.95355         0.087317      0.284524      0.016979
      7.16118     20.56403     11.27885        -0.020336     -0.161064     -0.150655
      7.05686      0.47083     12.04537         0.107550      0.140706      0.054304
      8.08080      0.59265      9.55134         0.033253     -0.095430     -0.086906
      8.12074      1.72968     10.41139         0.394521      0.016992     -0.317061
      7.56620      1.75954     11.74105         0.110763     -0.081719     -0.111917
      7.47366      2.93936     12.76154        -0.339168     -0.195394      0.719895
      6.90130      2.85885     14.11845        -0.079505      0.106454     -0.372389
      6.73058      4.01157     14.91831         0.106880     -0.152016     -0.210662
      7.91306      4.27420     12.50429        -0.089323     -0.201900      0.215307
      7.69745      5.42022     13.29720        -0.090544     -0.016935      0.080167
      7.09432      5.31752     14.55580         0.062929      0.148791      0.105874
      6.24445      1.64806     14.82779         0.341447      0.104843     -0.357602
      8.93815      2.85346      9.79672         0.131812     -0.356555     -0.210085
      4.12821     11.48872     10.71531         0.110264      0.240204     -0.070246
      3.86538     12.36484      9.66255         0.143370     -0.144715      0.040357
      3.90341     13.75004      9.82462         0.117077     -0.180180     -0.074580
      4.46051     12.00457     11.96409         0.082663     -0.063442     -0.246368
      4.50128     13.39481     12.13114         0.075448      0.010124     -0.056991
      4.23293     14.31330     11.08047         0.075101     -0.089387     -0.169207
      3.85547     10.08784     10.28888         0.007190      0.497533     -0.298641
      3.45381     11.55069      8.48333         0.102236     -0.079261      0.125411
      4.29637     15.80352     11.28557         0.085602     -0.010311     -0.067741
      4.05113     16.75230     10.25340         0.074263      0.265459      0.001581
      4.12329     18.13115     10.52975         0.071878     -0.074280      0.079734
      4.68989     16.30966     12.54598         0.123206      0.001257     -0.054389
      4.78458     17.67164     12.81555        -0.042093      0.259482     -0.099723
      4.42601     18.58053     11.81436         0.033592     -0.273757     -0.006325
      4.31683     20.05330     11.84708        -0.050931      0.495118      0.528021
      4.08383     19.35168      9.64352        -0.068097      0.171620     -0.973378
      4.37623      0.64847     10.10691         0.035649      0.119436      0.027607
      4.78400      0.97641      8.81275        -0.010338     -0.212226     -0.019485
      5.21888      2.26348      8.50314         0.161571      0.243150     -0.020803
      4.28273      1.76522     10.96415         0.125416     -0.020155     -0.021661
      4.73011      3.08923     10.63562        -0.155709     -0.096951      0.331931
      5.32917      3.40150      9.34491         0.034215     -0.112437      0.403494
      5.94966      4.76165      8.80583         0.044686     -0.104435     -0.052372
      6.46117      5.06370      7.49529         0.226658      0.101077     -0.299633
      6.78149      6.39178      7.06348        -0.024328     -0.062896     -0.023048
      5.92088      5.93721      9.57275         0.053824      0.040885      0.246131
      6.21442      7.24383      9.17348         0.044053      0.058799      0.050516
      6.60662      7.54204      7.86395        -0.084117     -0.117942      0.088230
      6.59359      4.02351      6.39298        -0.072298      0.003185     -0.108941
      4.38557      4.00395     11.84216        -0.139299     -0.537795      0.160868
      1.00578     14.25318      0.84844         0.040888      0.236278      0.146459
      1.61083     14.68864      2.02975        -0.029582      0.042850      0.041264
      1.62469     16.07191      2.35044        -0.127283     -0.224090     -0.199205
      0.58517     15.16732     21.14667        -0.155171     -0.440948      0.178265
      0.65343     16.51625      0.18576        -0.041554     -0.052107     -0.145519
      1.08476     17.02540      1.42712         0.152877     -0.022952      0.208515
      0.93953     12.77926      0.80937        -0.112967     -0.186148      0.152638
      2.22636     13.43790      2.66492        -0.186016     -0.175107     -0.308903
      0.97725     18.52723      1.62351        -0.164011      0.121755     -0.074869
      1.33062     19.24383      2.79528        -0.025609      0.124082      0.074364
      1.16219     20.64053      2.83648        -0.024367      0.048117     -0.286666
      0.48247     19.31825      0.54366         0.001091     -0.046757     -0.020836
      0.29328     20.69664      0.58972         0.003043      0.273295     -0.120209
      0.61981      0.10126      1.76491         0.170150     -0.446884      0.122035
      0.58761      1.54935      2.06607         0.079384     -0.071263      0.257289
      1.60148      0.38382      3.85372        -0.056755      0.202157     -0.202484
      1.38565      2.93690      4.05943        -0.006869      0.176002     -0.136340
      1.96017      2.95612      5.32060         0.120843     -0.004269      0.207789
      2.09456      4.14247      6.02885        -0.012177      0.170233     -0.046202
      0.94188      4.19866      3.62037        -0.184388     -0.114426     -0.219869
      1.06985      5.39526      4.36665        -0.298283     -0.152322     -0.355567
      1.73713      5.45875      5.62889         0.114238      0.210310      0.254294
      2.08608      6.71837      6.48896         0.053648     -0.281508      0.030931
      2.55783      6.67166      7.83612         0.070699      0.216089     -0.188002
      3.05108      7.77208      8.56559        -0.255760      0.091561     -0.280260
      2.06362      8.07154      6.05024        -0.059748     -0.054620     -0.073256
      2.52909      9.18716      6.76753         0.136820      0.148974     -0.000596
      3.07024      9.07290      8.06646        -0.191509     -0.118143     -0.228680
      2.82356      5.41945      8.57712         0.353450     -0.280680      0.316561
      0.32975      6.53860      3.70463         0.256704      0.059573     -0.367320
      4.68758     14.09196      0.69758        -0.108847      0.095956     -0.161416
      4.06138     14.99980     -0.16509         0.019775     -0.229685      0.076360
      4.06549     16.39064      0.11960         0.039087     -0.133658     -0.049761
      5.37232     14.56253      1.81431        -0.147185     -0.337259     -0.184974
      5.38109     15.92753      2.07484        -0.088600     -0.007234      0.184490
      4.71451     16.89969      1.29268        -0.180934     -0.000998     -0.172137
      4.53504     12.68187      0.20744        -0.268512      0.398812     -0.326394
      3.48357     14.15652     19.95430         0.355540     -0.326716      0.493909
      4.75311     18.35765      1.76624        -0.075333      0.381050      0.009309
      4.13374     19.48044      1.13184         0.035719      0.103966     -0.049383
      4.30148     20.79562      1.63489         0.141972     -0.032802      0.052184
      5.48613     18.68406      2.94067         0.044727      0.054935      0.160843
      5.67237     19.97822      3.44563        -0.108227      0.204627     -0.031218
      5.07564     21.04570      2.77212        -0.122157     -0.308110     -0.228551
      5.15171      1.25264      3.04094        -0.074390     -0.082251     -0.093290
      3.82312      0.88634      1.13182         0.130547     -0.088275      0.197671
      3.99973      3.34316      2.02358         0.134579      0.054946     -0.005400
      3.07631      3.92544      1.13714         0.121422      0.272074     -0.175401
      2.80055      5.31134      1.10851         0.086059      0.464590     -0.037676
      4.51253      4.28318      2.94376        -0.025409      0.069264      0.020974
      4.22730      5.68219      2.87050         0.285212     -0.141868      0.164122
      3.42116      6.35597      1.89146         0.105198     -0.336574      0.034127
      3.15773      7.95649      1.79559        -0.126961     -0.030955     -0.194389
      2.15783      8.55491      0.95571        -0.317469      0.108298     -0.081175
      1.77309      9.91746      0.99896        -0.051049      0.099571      0.194810
      3.75444      9.01981      2.57675         0.139662     -0.179370     -0.008632
      3.29236     10.35100      2.70861         0.279133      0.514539     -0.193835
      2.26215     10.88152      1.90960        -0.041979     -0.426350     -0.424847
      1.25482      7.77433      0.01412         0.050206      0.445446     -0.046644
      4.90088      6.44836      3.96524        -0.227286      0.285567     -0.343165
     18.12421     17.33286     13.58511        -0.063119      0.143981      0.060812
     19.14951     17.81545     14.40088        -0.225072     -0.161201     -0.213043
     19.41763     19.18603     14.50662        -0.090999     -0.264728      0.108286
     17.37329     18.22364     12.81875        -0.076496     -0.141769      0.134899
     17.62959     19.59250     12.93822         0.031096      0.084958      0.043274
     18.62343     20.12629     13.79899        -0.007407     -0.049594      0.170881
     18.04612     15.84218     13.69055         0.677132      0.622883      0.457951
     19.81613     16.62396     15.01793         0.211054     -0.023434      0.303278
     18.74724      0.35296     14.02558        -0.024149      0.210191      0.070014
     19.73299      0.93185     14.86968        -0.052117      0.477125      0.239795
     19.67930      2.30729     15.17580        -0.249191      0.192095     -0.019937
     17.79577      1.25292     13.47348         0.012029     -0.006833     -0.034047
     17.78298      2.62977     13.71970         0.181662      0.172841      0.215024
     18.73108      3.16129     14.59909         0.016406     -0.328566     -0.094825
     18.94430      4.56913     15.07322         0.297472     -0.641455      0.118710
     20.46335      3.13663     16.16084         0.004345     -0.045661     -0.053464
     20.64356      5.66582     16.63170        -0.084110     -0.058851      0.188088
      0.68915      5.62669     17.12094         0.296973      0.069932      0.280663
      1.33888      6.79125     17.57157        -0.585433     -0.096786     -0.098542
     20.00178      6.90873     16.78014         0.053321      0.278364      0.173430
     20.61510      8.04317     17.39008        -0.069842     -0.078349      0.126113
      0.76450      8.06011     17.79522        -0.556583     -0.003397     -0.148814
      1.62916      9.20409     18.42110        -0.113568      0.040597     -0.059887
      2.95706      9.11124     18.96869         0.505586      0.454505      0.111485
      3.63630     10.24801     19.52930        -0.086565      0.276705      0.284055
      1.12302     10.51895     18.59165        -0.129473     -0.090219     -0.055399
      1.78732     11.63014     19.12508         0.255555     -0.124198     -0.102348
      3.08695     11.54806     19.62330         0.228444      0.010871      0.204451
      4.03619      8.01467     18.86922        -0.532335     -0.732748     -0.111289
     19.57588      9.14465     17.64165         0.065388     -0.176204      0.073770
      1.98221     18.18314     14.10563        -0.040817      0.147642      0.155145
      1.25274     19.13001     13.38989         0.132725     -0.203669      0.085626
      1.35721     20.49407     13.68559        -0.265708     -0.148400     -0.073442
      2.88837     18.60508     15.07452         0.035850     -0.042805     -0.026883
      3.03485     19.97027     15.32254        -0.244573      0.233852      0.116217
      2.23051     20.95859     14.70241        -0.280803      0.027966     -0.282693
      1.67027     16.81389     13.62008        -0.477018      0.844373     -0.375222
      0.47268     18.38592     12.34702        -0.053448     -0.133738      0.115583
      2.36388      1.16805     15.01069         0.010948      0.001916      0.114490
      1.72967      2.16964     14.23922        -0.018362      0.595560      0.042952
      1.98503      3.52770     14.49402         0.204628     -0.002813      0.216398
      3.19555      1.62291     16.06452        -0.254699     -0.100132      0.084793
      3.53314      2.96474     16.26342        -0.239656      0.360949     -0.133136
      2.94032      3.92521     15.43670         0.034250     -0.264024     -0.009219
      3.16021      5.39698     15.30075         0.065916      0.245835      0.074604
      1.40179      4.76951     13.89641        -0.087980      0.018566      0.026776
      1.64400      7.27800     14.46282        -0.035702     -0.094427     -0.253867
      0.35318      7.55045     14.00961        -0.081246     -0.007910     -0.109425
     21.05698      8.82552     14.12204        -0.115544      0.052681     -0.079760
      2.35935      8.39913     14.94179        -0.344734     -0.084357     -0.109137
      1.79588      9.70509     15.01373         0.076987      0.096951      0.066825
      0.42268     10.00185     14.59437         0.052608     -0.073547     -0.038166
     20.88616     11.35078     14.56840        -0.048397      0.208914      0.056687
     19.51848     11.66252     14.14707        -0.072921     -0.104478     -0.054530
     18.98709     12.97212     14.16929         0.159968      0.032641     -0.033745
      0.27991     12.54412     14.94063         0.094337      0.148214      0.225372
     -0.25844     13.83786     15.03897         0.083775     -0.056684      0.118607
     19.69247     14.09694     14.62059         0.109781      0.169454      0.110791
     18.46657     10.70300     13.60142        -0.173697     -0.319341      0.028537
      2.85471     10.69482     15.51915         0.191605     -0.089329      0.063418
     16.10116      0.41709      5.23081         0.250603      0.187881      0.114205
     16.87335      0.85906      6.30960        -0.093233     -0.075156     -0.155575
     16.94580      2.22596      6.64872         0.011660     -0.301508     -0.003226
     15.34889      1.32682      4.50817         0.173116     -0.294889     -0.009515
     15.41475      2.67324      4.84713         0.106336      0.043600      0.010855
     16.22075      3.18402      5.88540        -0.020311     -0.096200      0.027464
     16.36281     20.23815      4.93689         0.336019      0.372436      0.460609
     17.57455     20.90300      6.85343        -0.235779     -0.053226     -0.311324
     16.26185      4.67558      6.10100        -0.008636      0.154014      0.187811
     17.06349      5.30114      7.08598        -0.133892      0.277926      0.197396
     16.99578      6.69468      7.28244        -0.229840      0.070527     -0.031745
     15.44275      5.54383      5.33131        -0.019572      0.027874      0.022042
     15.42475      6.93181      5.48087         0.156763      0.205410      0.166183
     16.22199      7.51906      6.46230         0.043147     -0.319445      0.058944
     16.41653      8.95261      6.84022         0.230351     -0.237810      0.155095
     17.56848      7.56482      8.36077        -0.210450      0.115111     -0.119127
     17.74901     10.11140      8.70056         0.047919      0.228831      0.017692
     18.81446     10.01440      9.59577        -0.030301     -0.058573      0.105022
     19.40673     11.15055     10.15216        -0.095803     -0.073424      0.099740
     17.30417     11.43292      8.47788        -0.000472     -0.022944     -0.025447
     17.84410     12.57044      9.13812        -0.243772     -0.161525     -0.007817
     18.97086     12.48154     10.03986        -0.028433      0.018178      0.119897
     19.73602     13.57735     10.82246         0.127488      0.029588     -0.087341
     21.01711     13.46045     11.49908         0.263108     -0.195573      0.034996
      0.42041     14.58056     12.02606        -0.105135      0.078867      0.077235
     19.25215     14.91019     10.89411        -0.018411      0.038534     -0.071860
     19.95002     16.03903     11.36301        -0.104062     -0.073225     -0.074028
     21.19833     15.88468     11.97110        -0.048892      0.444518     -0.001252
      0.74750     12.28291     11.62063        -0.186386     -0.158861     -0.122459
     17.05398     13.82190      8.80787        -0.058890      0.157967     -0.134364
     20.40120      1.33029      6.10472        -0.131413      0.160673      0.072720
     19.82495      2.38419      5.38482         0.003797      0.011870      0.258265
     19.82403      3.68993      5.85147         0.013509     -0.034776      0.073311
     20.91714      1.57916      7.37339        -0.115385     -0.068280      0.041666
     20.86350      2.88587      7.87452        -0.117075      0.181350      0.023897
     20.35523      3.98881      7.13207        -0.096227     -0.068314      0.015822
     20.23212      0.06478      5.32259        -0.152069      0.571756     -0.009267
     19.15325      1.83302      4.17781         0.055548     -0.316270      0.002256
     20.41779      5.41103      7.62025        -0.175141     -0.020760      0.056044
     20.03365      6.45934      6.76097        -0.050876      0.184826      0.181344
     20.30968      7.78897      7.08820        -0.060657     -0.114012      0.132337
     -0.34954      5.78716      8.89431        -0.121225     -0.098017     -0.083782
      0.02077      7.10335      9.18929        -0.019121      0.250835     -0.080631
     21.00273      8.10404      8.24965        -0.124777     -0.179813      0.003316
      0.05281      9.55147      8.22045         0.143800      0.323052      0.319770
     20.01608      9.05736      6.35703        -0.474548     -0.075465     -0.472544
     20.43885     11.51971      6.81907        -0.027590      0.322177     -0.036183
     19.53984     11.93177      5.83426        -0.170026     -0.050032     -0.189462
     19.21966     13.27453      5.63713        -0.025332      0.064707     -0.066515
     21.03518     12.58360      7.52920        -0.031873     -0.138978     -0.016173
     20.75512     13.94811      7.26807         0.295304     -0.077989      0.145007
     19.77896     14.39174      6.29750         0.126939      0.007863      0.069976
     19.27763     15.82513      6.01016         0.026910      0.004645     -0.057368
     18.45222     16.27457      4.91770        -0.156979      0.088323     -0.207195
     17.92525     17.59129      4.85918         0.032662     -0.044804     -0.064606
     19.53291     16.89398      6.90934        -0.005901      0.022616      0.018089
     18.92899     18.15279      6.91247        -0.040784      0.117933      0.048192
     18.04638     18.53367      5.89491         0.054066      0.056208     -0.057849
     17.87864     15.39444      3.80422         0.072026      0.090258     -0.133446
      0.43464     14.85342      8.04393         0.361378      0.019022      0.052936
     12.65996      5.22900      4.07087        -0.026388      0.088188      0.085611
     13.10611      3.75679     20.56657         0.054236      0.072398     -0.056775
     12.91260      6.13839     21.11247         0.073735      0.097237     -0.206123
     12.76187      7.44611      4.41585        -0.017874     -0.227307      0.125595
     13.17214      7.89363      0.13315         0.070767      0.051825     -0.103429
     13.52589     10.30481      0.39139         0.017661     -0.079195      0.072379
     13.20529     13.49930      8.58924         0.023709     -0.160867      0.175536
     13.24115     11.60421      7.12459        -0.089678      0.203760      0.143571
     14.35563     14.14752      3.88952        -0.102351      0.013073      0.098573
     12.94182     17.16446     11.43713        -0.017774     -0.055558      0.098901
     14.97007     17.56879      7.04883         0.081200     -0.154266     -0.032705
     14.84849     19.49456      8.46649         0.203529     -0.210043     -0.220562
      9.96040      6.87963      3.23924        -0.128311      0.057267     -0.117786
      9.71403      3.51396      6.89686         0.146346      0.030251     -0.027000
      9.77613      5.88566      7.45499         0.190247      0.004115      0.072139
     10.15780      8.84243      3.76736        -0.008680     -0.093429     -0.312662
      9.78979      7.70446      7.93011         0.030371     -0.024332      0.014076
      9.91076     10.06335      8.61084         0.105187     -0.066067     -0.089746
     12.18963     15.83388      2.46087        -0.055337     -0.047960     -0.137078
     11.38736     13.63330      2.96404         0.183492      0.192354     -0.092194
     10.35422     14.95638      6.89076        -0.004176      0.046178     -0.173656
     13.23573     20.26212      1.14904         0.006629     -0.005819      0.083528
     11.60074     19.19646      5.57713        -0.033688      0.112781      0.216912
     12.05066      0.20125      5.06780        -0.181683     -0.138832      0.021241
     10.17403      9.17075     17.34862         0.016723      0.051529      0.188284
     10.35215      7.74963     12.56090         0.100284      0.076604      0.078932
     10.25171     10.11249     13.14170         0.080304      0.222456     -0.308807
     10.22334     11.39963     17.72633         0.120241     -0.187651      0.207132
     10.52255     11.96161     13.44612         0.062567     -0.103446     -0.169841
     10.76265     14.37113     13.75360         0.018812     -0.142430      0.000465
      9.44383     17.75508      0.37795         0.027962     -0.171239      0.023175
      9.92555     15.78710     20.36455        -0.207547      0.123091      0.120245
     11.44730     18.28053     17.24741         0.039725     -0.097868      0.102326
      9.03266      0.05463      3.34008        -0.117705      0.048902     -0.065011
     11.17533      0.63830     20.30693        -0.117729      0.065370     -0.147187
     10.43567      2.59643      0.22854         0.222544     -0.221938     -0.045220
      7.19999     10.70148     15.93210        -0.070425     -0.056518     -0.093470
      7.19777      7.30175     19.60586         0.165293      0.038269     -0.005717
      7.24149      9.68221     20.14590         0.149942      0.016204      0.001148
      7.44742     12.76569     16.50110        -0.085326     -0.058602     -0.156089
      7.08452     11.45291     20.62136         0.100136     -0.059170      0.020177
      7.18513     13.75418      0.13008         0.074081     -0.067698     -0.091850
      9.29793     19.94167     15.87632         0.105011     -0.172767     -0.168025
      8.62122     17.67491     16.17493         0.160834      0.061527     -0.091270
      6.75079     18.82782     19.86014        -0.061082      0.043638     -0.434888
     10.03789      2.84228     14.32863         0.072074      0.332783      0.437931
      8.24214      1.97806     18.78753         0.046097      0.161347     -0.007618
      9.08718      4.16960     18.29058        -0.153149      0.151293      0.396480
      6.80630     12.99531      8.79202        -0.038067      0.041336      0.091959
      7.45874     11.41573      4.08713        -0.113273      0.093842     -0.006699
      7.66344     13.79119      4.62129        -0.155050      0.096604     -0.093305
      6.90719     15.17981      9.12904        -0.003876     -0.068618      0.104104
      7.85499     15.55424      4.92825        -0.202674      0.016426     -0.140540
      7.86104     17.97115      5.09547        -0.060195     -0.029634      0.057427
      6.52056      0.32740     12.96133         0.016771     -0.114208      0.094466
      6.84123     19.61315     11.70065        -0.047278      0.122380      0.167546
      8.41371      0.72883      8.52212         0.071064     -0.112564      0.195123
      6.30230      3.89449     15.89365        -0.153801     -0.084556      0.343429
      8.50734      4.47610     11.63693         0.011791      0.025172     -0.427734
      7.96077      6.41938     12.93652         0.213750     -0.302499     -0.165094
      3.60744     14.37177      8.98958         0.116035      0.147612     -0.204858
      4.61525     11.33185     12.80333         0.164161      0.055356     -0.038642
      4.69953     13.75977     13.13801         0.067821      0.017093     -0.008927
      3.84169     16.43246      9.23740        -0.106908     -0.054808     -0.172783
      4.93066     15.61517     13.35100         0.070933      0.100561     -0.048624
      5.15067     18.01057     13.78623        -0.084247      0.040446     -0.068630
      5.50354      2.35801      7.47997         0.106057     -0.101387     -0.199750
      4.78541      0.19499      8.05172         0.101023      0.213529     -0.123542
      3.90888      1.60285     11.97138         0.004745     -0.009860     -0.139334
      7.12572      6.52431      6.04040        -0.049294     -0.072508      0.150835
      5.54139      5.86442     10.56619         0.093726      0.152816      0.275715
      6.10302      8.05808      9.88427        -0.094816     -0.168900      0.178097
      2.06214     16.42002      3.28003         0.084683     -0.047135      0.266020
      0.23775     14.82857     20.17504        -0.159938     -0.032847     -0.110960
      0.36928     17.19361     20.64984        -0.154958     -0.002843     -0.081100
      1.75256     18.73792      3.66191         0.021154     -0.036273      0.111847
      0.25033     18.85714     20.84887        -0.069873     -0.033160     -0.031382
     -0.03430      0.00450     20.96529        -0.030119     -0.216439      0.218498
      2.49480      3.94612      6.99142         0.144932     -0.014154     -0.020488
      2.29110      2.02464      5.77193         0.054650      0.143342      0.139585
      0.43469      4.26049      2.66529        -0.056672     -0.063963      0.006480
      3.37737      7.60631      9.57531         0.088014      0.083734      0.173206
      1.65973      8.30934      5.07853         0.037153      0.015254     -0.244517
      2.45012     10.18753      6.34074        -0.037624     -0.181512     -0.226721
      3.56122     17.07389     20.69646        -0.038920      0.028749     -0.096305
      5.87113     13.85044      2.47327         0.038488      0.079227      0.093924
      5.91772     16.23271      2.96283         0.092934      0.050472      0.173681
      3.52182     19.33591      0.24298         0.006941      0.043409     -0.145637
      6.01799     17.90123      3.47541        -0.093413     -0.001417      0.060611
      6.31858     20.16264      4.31568        -0.244909     -0.110235     -0.135937
      1.97247      5.54937      0.46248         0.212501     -0.062109     -0.279432
      2.53439      3.28919      0.44686        -0.156440      0.045492     -0.148316
      5.10118      3.91162      3.78650         0.000939      0.238951     -0.293257
      1.03091     10.22550      0.28173        -0.196334      0.073845      0.006552
      4.64577      8.86151      3.17654        -0.072720     -0.133835     -0.257389
      3.82464     11.05774      3.35647         0.083622     -0.418719      0.068374
     20.24378     19.49498     15.13795         0.040946      0.142217      0.223826
     16.59225     17.85841     12.14888        -0.020856      0.030537     -0.002839
     17.01515     20.26673     12.34241         0.019509      0.000187     -0.029570
     20.54777      0.34657     15.29260        -0.082715     -0.133788      0.168035
     17.01038      0.87439     12.82496        -0.068769     -0.088586     -0.059121
     17.03060      3.27709     13.26425        -0.000609     -0.058562     -0.030027
      2.37969      6.66293     17.76102         0.247173     -0.116226      0.133947
      1.22338      4.67323     17.17043         0.005043      0.251642     -0.103324
     18.97691      7.03205     16.42634         0.203628     -0.136967      0.117087
      4.61506     10.05237     19.96638        -0.138695      0.271067     -0.135287
      0.10702     10.71096     18.29762        -0.172032      0.131781     -0.131449
      1.30636     12.59215     19.15386        -0.502508      0.206287     -0.140972
      0.74490     21.18837     13.12039        -0.099871      0.152133     -0.153754
      3.52619     17.88267     15.57892         0.003707     -0.074020      0.152572
      3.82930     20.29274     15.98626         0.076914     -0.036315      0.263328
      1.04694      1.93110     13.43340        -0.163388     -0.118798     -0.212749
      3.66689      0.89468     16.72109        -0.011964     -0.039080      0.065503
      4.27569      3.23861     17.01726        -0.219385      0.034215      0.008615
     20.03109      8.87201     13.80448        -0.182552      0.043533     -0.071452
     21.04783      6.72853     13.56263        -0.209753      0.336766      0.138879
      3.37295      8.24890     15.29952        -0.044627      0.029867     -0.052497
     18.00609     13.13293     13.74009        -0.091682     -0.047443      0.149033
      1.33641     12.49921     15.13431         0.045812      0.090658      0.187618
      0.35922     14.65580     15.41450         0.089671     -0.252137     -0.132865
     17.61145      2.53789      7.45170        -0.035409     -0.017551      0.156823
     14.75450      0.97039      3.67385         0.086989      0.069195     -0.053831
     14.82706      3.35955      4.25225         0.035196      0.084514     -0.100114
     17.75476      4.71413      7.68306        -0.062954     -0.055293      0.272489
     14.76960      5.13407      4.58390         0.056167     -0.036543     -0.051264
     14.76774      7.55689      4.87669         0.194117     -0.138162     -0.039096
     20.27907     10.95600     10.74497        -0.104500     -0.153104      0.054506
     19.18163      9.02511      9.85847         0.145323      0.129909      0.115771
     16.53205     11.59814      7.73105        -0.051286     -0.023714      0.169455
      1.36699     14.42379     12.51109         0.155993      0.042274      0.069725
     18.24952     15.10737     10.54100        -0.010603      0.064368     -0.072935
     19.56095     17.04676     11.19810        -0.227074     -0.236794      0.106316
     19.39872      4.44903      5.20180        -0.114237      0.115422     -0.002984
      0.05204      0.75998      7.97917         0.051788      0.076370      0.001005
     -0.00431      3.05597      8.87458        -0.002092      0.000403      0.072160
     19.56901      6.23972      5.81414        -0.217994     -0.011186     -0.039174
     -0.18643      5.02104      9.64897         0.029778      0.063691      0.065503
      0.57959      7.32353     10.10180        -0.267399      0.054231      0.096526
     18.43782     13.42529      4.91928        -0.100724     -0.029427     -0.115519
     19.05637     11.16573      5.23422        -0.160059      0.208139     -0.104428
      0.47732     12.35039      8.32413        -0.005665      0.015217     -0.208406
     17.27619     17.83102      4.02666         0.043734      0.029844     -0.101725
     20.23547     16.75788      7.70828        -0.037918     -0.073520      0.174530
     19.14226     18.86484      7.70726         0.162520     -0.193983      0.085181
     13.89175     19.27897     10.77490         0.029967      0.142230     -0.077690
     19.06299     21.03480      3.54842         0.057035      0.019925     -0.133572
     12.78335      1.21284      2.63562         0.058693     -0.219398      0.087147
     13.64815     11.55811      4.47053         0.029252      0.454563     -0.242758
      9.51991      2.62463      2.80676         0.114795     -0.051081      0.157398
     10.47669     12.73520      5.34281         0.117950      0.167754      0.128203
     10.01808      5.14212     15.90179        -0.016061     -0.626617      0.254975
     10.74695     15.64530     17.79848         0.016702      0.248310     -0.002549
      6.97486      6.42757     15.48495         0.169218     -0.142618     -0.165319
      7.32283     16.62696     18.28512         0.123737      0.246296     -0.007561
      6.73149      8.93116      7.42218         0.021057     -0.164734      0.079071
      7.58042     19.40137      9.08906        -0.098455      0.345536      0.089687
      3.50527     10.16908      8.87834        -0.020227     -0.225943     -0.013840
      4.16161     20.52506     10.50778        -0.008757     -0.104068     -0.008349
      1.82364     12.28615      1.83906        -0.038963     -0.314977     -0.138478
      1.21003      1.70206      3.35362        -0.075269      0.037922     -0.127366
      3.72044     12.73564     20.28910        -0.284414     -0.367690     -0.069401
      4.31333      1.90483      2.05763        -0.052849      0.393860      0.135719
     19.16908     15.44654     14.52053        -0.131940     -0.257090     -0.175217
     20.02885      4.50617     16.01481        -0.086408      0.278128     -0.026226
      0.66989     16.97337     12.58164         0.168351     -0.093481      0.211743
      2.09828      5.90230     14.47562         0.077890      0.051772      0.037551
     17.35000     19.81224      5.89588         0.242750     -0.200585      0.131336
     17.22986      8.94276      8.02643         0.076524      0.070263      0.012210
     19.44985      0.44890      4.20484         0.124942      0.145598      0.191460
     20.65670     10.12181      7.06602         0.035277     -0.000760      0.362075
     12.41909      2.27499      4.71895        -0.091365      0.118674      0.017642
     13.58694      1.02345      0.40328         0.073145     -0.356495     -0.332706
     13.25823      9.82513      6.03293        -0.130299     -0.110157      0.132484
     13.85910     12.58615      2.32273         0.100179      0.493095     -0.111745
      9.63527      4.46443      1.32757         0.011007      0.094771     -0.216283
      9.29036      1.47326      4.87933         0.130396      0.109530     -0.086201
     10.35904     11.73796      3.20033         0.047108     -0.052275      0.169128
     10.15725     12.91228      7.69674         0.012273      0.430674      0.429526
      9.92725      6.19872     18.01096        -0.058663     -0.026733      1.158580
     10.81067      4.90306     13.67628         0.288905     -0.874699     -1.014448
     10.52182     13.90616     19.39649        -0.003235     -0.063383      0.201259
     11.02175     16.63495     15.65613         0.024593      0.438551     -0.086748
      6.94778      8.30481     14.03134         0.129478     -0.037951     -0.178120
      6.54627      5.29689     17.53911         0.180274     -0.349524      0.133970
      7.51007     15.73974     16.08939        -0.071507      0.048466     -0.092313
      7.06203     16.64980     20.63843        -0.012675      0.440051      0.446404
      6.68685     10.06425      9.51571         0.077424      0.022559      0.126804
      7.11066      8.68866      5.09095        -0.056752     -0.108376      0.139871
      7.31517     17.69934     10.71523         0.068976     -0.050173      0.269264
      7.84172     20.35791      6.91514        -0.155192     -0.019769      0.296619
      3.12194     11.95028      7.38144         0.013531      0.112694     -0.273326
      3.87968      9.08659     10.98105        -0.003087     -0.123728     -0.044197
      4.07057     19.37917      8.41088        -0.110527     -0.020474      1.004811
      4.30539     20.75737     12.85584         0.109308     -0.444576     -0.800052
      2.96845     13.36058      3.62041         0.053216     -0.019732      0.255188
      0.20550     12.13175      0.07187         0.257407      0.049179      0.309282
      2.21461      0.17749      4.88261         0.142178     -0.129369      0.109609
      0.12132      2.43672      1.37198         0.032795      0.117902      0.060861
      2.97797     14.53339     18.92203        -0.321269      0.151564     -0.363512
      5.03915     11.68129      0.69547        -0.061353     -0.143113      0.012059
      3.15398      1.11526      0.14184        -0.075886      0.061800     -0.132120
      5.81837      1.78743      3.91195        -0.145594      0.122034     -0.243213
     -0.51040     16.63188     15.81408        -0.100319      0.061143     -0.076327
     17.21411     15.11226     13.20346        -0.423592     -0.450683     -0.186278
      0.01854      2.73673     16.97597         0.019455      0.052819      0.063625
     18.34196      5.56815     14.73056        -0.091905      0.231842     -0.030029
     21.07489     18.85300     11.43547        -0.261940      0.086730     -0.233216
      2.16641     15.77287     13.99265         0.156783     -0.600109      0.241222
      0.47894      4.82906     13.09617         0.033278      0.001552     -0.025219
      4.07938      6.07739     15.74355        -0.481498     -0.261757     -0.045000
     18.18036     20.80920      7.90389         0.185968     -0.059176      0.113786
     15.87622     19.57613      4.03865         0.070296     -0.224555     -0.142588
     18.13535      7.19558      9.37228        -0.008693      0.025824      0.193514
     16.01849      9.94339      6.25068         0.145143     -0.010566      0.090352
     18.44897      2.39863      3.35701         0.037739     -0.027087     -0.088137
     20.66638     20.20540      5.54210        -0.083935     -0.112121     -0.020857
     19.31428      9.17684      5.35505         0.201704     -0.024679      0.444971
      0.74665     10.16697      9.01826        -0.506250     -0.164418     -0.333925
     13.97577     17.49985      5.29892         0.035885     -0.075006      0.152775
     15.89351     16.51876      5.62509         0.012621      0.020280      0.115905
     14.76135     16.19855      3.77375         0.008781     -0.045087      0.155754
     11.95366     15.38326     11.48385         0.017386     -0.059063     -0.197610
     11.43493     14.60111      9.52479        -0.108349     -0.136924     -0.127917
     13.24213     13.89453     10.58076         0.060921     -0.015373     -0.094236
     11.93550     17.96000      7.26493        -0.078955      0.106088     -0.190831
      9.98705     18.49484      6.44326         0.076304     -0.041706     -0.034315
     10.18776     16.79592      7.80031         0.146094      0.163183     -0.314676
     13.18097     18.54258      0.09526         0.046751     -0.183920      0.194540
     14.09437     17.10549      1.45625        -0.019661      0.000271      0.004352
     11.99416     16.89339      0.86204         0.235206      0.191172      0.145772
     10.74386      0.34717     18.40636         0.284819     -0.201776      0.106360
     12.74153     -0.39160     18.96667        -0.012832      0.028467      0.060601
     11.81370     20.29559     17.06800         0.168270     -0.063686      0.215988
      8.67808     19.36692      3.57232        -0.085507     -0.077806     -0.195022
      7.78139     18.78958      1.65210        -0.089286     -0.124186     -0.279652
      9.67822     17.94108      2.31495        -0.029686      0.063454     -0.152106
      7.74527      0.79289     20.38670         0.012471      0.102257     -0.061037
      5.95710      1.02861     19.12654         0.150254     -0.073039     -0.108450
      6.08986     20.67190     20.59855         0.103723      0.185327     -0.357205
      9.80231      1.19066     13.26867         0.309771      0.016235      0.214594
     10.96772     21.24126     14.68600        -0.226684      0.133696     -0.104206
      8.91688     20.70103     14.13241         0.187557     -0.256549     -0.190860
      8.29514      4.05469      9.69871         0.149320      0.031287     -0.077728
     10.10029      3.08992     10.47656         0.020286      0.023498      0.298949
      9.33345      2.55890      8.51420         0.105282     -0.011698      0.328755
      6.04527      1.88874     16.14985        -0.055546      0.038101      0.316903
      5.03977      1.37610     14.27903         0.045735     -0.028470      0.008340
      6.89424      0.43853     14.83398        -0.094800      0.275090     -0.058894
      5.20160      5.05800     12.10356        -0.278502     -0.036674      0.034757
      3.10372      4.49659     11.79758         0.074498     -0.151128     -0.072415
      4.38871      3.28597     13.01495         0.160751      0.287923     -0.379187
      7.18467      4.50987      5.26488        -0.106478     -0.163229      0.027757
      7.33340      2.92827      6.73477         0.014263      0.028828      0.168757
      5.36241      3.53078      5.99101         0.276891      0.076044      0.104067
     -0.52529      7.23362      4.47970        -0.093184      0.097321      0.211083
      1.18118      7.50811      3.23609        -0.145877     -0.197005     -0.085487
     -0.43945      6.11123      2.66989        -0.141726     -0.030285      0.059692
      3.26588      5.67054      9.82846        -0.086151     -0.098450      0.011530
      1.84743      4.47201      8.77029        -0.026222      0.127719     -0.053253
      3.82426      4.77193      7.90666        -0.292592      0.046717      0.002863
      6.07652      6.98121      3.49530        -0.022780     -0.054170      0.072685
      4.14410      7.45948      4.47998        -0.065440      0.175843      0.075848
      5.15544      5.71865      5.05395        -0.014528     -0.272758      0.052810
      0.35036      8.57591     20.63878        -0.003209     -0.249524     -0.159072
      1.93829      7.06532     -0.95828        -0.405175      0.206026      0.550818
      0.48766      6.88423      0.66293        -0.359426     -0.548704      0.114920
     19.40367      9.39855     18.97234         0.259256      0.054046      0.206998
     19.87755     10.34299     17.04777        -0.061551      0.053948     -0.054714
     18.33035      8.82415     17.18633        -0.028773      0.008755     -0.066882
      4.86459      8.05754     19.95147         0.200828      0.221891      0.142583
      3.83023      6.64862     18.77472        -0.278765      0.426591      0.106983
      4.69217      8.30891     17.71344         0.309684     -0.011638      0.052195
      3.38106     11.43050     14.48555        -0.069257      0.082954     -0.052542
      2.46405     11.61508     16.44750        -0.047308     -0.164523     -0.060769
      3.93447     10.07079     16.09993        -0.255389      0.277789     -0.323737
     17.34521     11.33733     13.12415         0.182808     -0.265934      0.098930
     18.89756      9.92906     12.54706        -0.074359      0.089697      0.221612
     18.01887      9.82949     14.55950         0.068857      0.020758     -0.026398
     16.23686     14.21739      9.84404         0.197284     -0.090258      0.053746
     17.81761     14.91011      8.48176         0.069426      0.002815      0.046396
     16.23028     13.64980      7.73453         0.160071      0.000199      0.031238
      1.75302     12.51208     12.52089        -0.139102      0.053234     -0.142824
      0.30015     11.04084     12.00204        -0.093098      0.201444     -0.233151
      1.34953     12.11624     10.41599        -0.052305     -0.054255      0.047402
      1.19056     15.63347      7.20402        -0.069896      0.037747     -0.055323
     21.11114     15.70954      8.94354         0.063898     -0.040769     -0.122965
      1.32839     14.15878      8.82053        -0.104039      0.262019     -0.418616
     17.21404     16.10391      2.84791         0.305534     -0.033507     -0.036537
     18.80042     14.64711      3.12451         0.328891      0.100296     -0.019272
     16.95451     14.48845      4.29023         0.002512      0.056578     -0.116306
 -----------------------------------------------------------------------------------
    total drift:                                0.007257      0.000629     -0.002330


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4565.7431093406 eV

  energy  without entropy=    -4565.8932558505  energy(sigma->0) =    -4565.79315818
 
 d Force = 0.1137049E+01[ 0.561E+00, 0.171E+01]  d Energy = 0.1138455E+01-0.141E-02
 d Force = 0.1208363E+04[ 0.121E+04, 0.121E+04]  d Ewald  = 0.1208376E+04-0.128E-01


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -1.138455  1 .order   -1.137049   -1.712974   -0.561125
  (g-gl).g = 0.663E+01      g.g   = 0.659E+01  gl.gl    = 0.656E+01
 g(Force)  = 0.659E+01   g(Stress)= 0.000E+00 ortho     =-0.433E-01
 gamma     =   1.00955
 trial     =   0.26168
 opt step  =   0.38915  (harmonic =   0.38915) maximal distance =0.06295532
 next E    = -4565.878380   (d E  =  -1.27373)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   47(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.1973088E+00  (-0.1573854E+02)
 number of electron    2497.9999945 magnetization 
 augmentation part      162.6632900 magnetization 

  free energy =  -0.456554579455E+04  energy without entropy=  -0.456569670150E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   47(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3504
 total energy-change (2. order) :-0.3394069E+00  (-0.4044272E+00)
 number of electron    2497.9999946 magnetization 
 augmentation part      162.7089196 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8649
  0.8649

  free energy =  -0.456588520140E+04  energy without entropy=  -0.456603540689E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   47(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3712
 total energy-change (2. order) : 0.9946112E-02  (-0.7635261E-02)
 number of electron    2497.9999946 magnetization 
 augmentation part      162.6847264 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4191
  1.0822  1.7561

  free energy =  -0.456587525529E+04  energy without entropy=  -0.456602556921E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   47(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3504
 total energy-change (2. order) :-0.2301992E-02  (-0.6149374E-02)
 number of electron    2497.9999946 magnetization 
 augmentation part      162.6593281 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2781
  2.1756  0.8920  0.7668

  free energy =  -0.456587755728E+04  energy without entropy=  -0.456602791160E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   47(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3616
 total energy-change (2. order) :-0.6019990E-03  (-0.1265743E-02)
 number of electron    2497.9999946 magnetization 
 augmentation part      162.6654166 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3260
  2.3625  1.0239  1.0239  0.8938

  free energy =  -0.456587815928E+04  energy without entropy=  -0.456602860882E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   47(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3616
 total energy-change (2. order) : 0.4867682E-03  (-0.7575424E-03)
 number of electron    2497.9999946 magnetization 
 augmentation part      162.6706940 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2599
  2.3933  1.0539  1.0539  0.8992  0.8992

  free energy =  -0.456587767252E+04  energy without entropy=  -0.456602797906E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   47(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) :-0.4532564E-04  (-0.1233484E-03)
 number of electron    2497.9999946 magnetization 
 augmentation part      162.6718674 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2449
  2.4211  0.9684  0.9684  1.1991  1.1991  0.7133

  free energy =  -0.456587771784E+04  energy without entropy=  -0.456602816156E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   47(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) : 0.3367243E-04  (-0.2191713E-04)
 number of electron    2497.9999946 magnetization 
 augmentation part      162.6731911 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2322
  2.4819  1.2692  1.2692  1.0573  1.0573  0.8453  0.6455

  free energy =  -0.456587768417E+04  energy without entropy=  -0.456602805728E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   47(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3504
 total energy-change (2. order) :-0.1345537E-04  (-0.1434587E-04)
 number of electron    2497.9999946 magnetization 
 augmentation part      162.6719108 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2380
  2.5292  1.5162  1.0181  1.0181  1.2847  0.9535  0.9535  0.6305

  free energy =  -0.456587769762E+04  energy without entropy=  -0.456602809176E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   47(  10)  ---------------------------------------



 eigenvalue-minimisations  :  2288
 total energy-change (2. order) :-0.8010393E-05  (-0.1397062E-05)
 number of electron    2497.9999946 magnetization 
 augmentation part      162.6719108 magnetization 

  free energy =  -0.456587770563E+04  energy without entropy=  -0.456602810257E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0316       2 -56.1577       3 -56.0718       4 -55.8036       5 -55.8043
       6 -56.2990       7 -58.1617       8 -58.2629       9 -56.2831      10 -55.9678
      11 -56.0297      12 -55.8007      13 -55.7999      14 -55.9770      15 -58.1139
      16 -58.0675      17 -56.3148      18 -54.9355      19 -54.8812      20 -55.1237
      21 -55.6323      22 -55.6456      23 -55.7152      24 -55.6121      25 -54.9223
      26 -54.8209      27 -54.9338      28 -54.8915      29 -60.3925      30 -60.3568
      31 -55.6527      32 -55.8445      33 -55.7307      34 -55.2762      35 -55.4856
      36 -55.9729      37 -57.8108      38 -58.0628      39 -56.0620      40 -55.7780
      41 -55.9114      42 -55.7001      43 -55.7369      44 -55.8860      45 -58.1403
      46 -58.1664      47 -56.4381      48 -55.1251      49 -54.9725      50 -55.2899
      51 -55.9140      52 -55.8686      53 -55.7657      54 -55.7315      55 -55.0930
      56 -54.8394      57 -54.9732      58 -56.3202      59 -60.3378      60 -60.6070
      61 -55.9331      62 -56.0026      63 -55.8954      64 -55.7295      65 -55.6934
      66 -56.1892      67 -58.1568      68 -58.1681      69 -56.2184      70 -55.8776
      71 -55.9998      72 -55.6990      73 -55.6541      74 -55.8849      75 -58.0725
      76 -58.1741      77 -56.4578      78 -55.1001      79 -55.0168      80 -55.2747
      81 -55.8427      82 -55.8670      83 -55.9313      84 -55.9310      85 -55.1629
      86 -55.1017      87 -55.2099      88 -56.4435      89 -60.7354      90 -60.4381
      91 -55.7002      92 -55.8264      93 -55.7221      94 -55.4680      95 -55.5370
      96 -56.0192      97 -57.8951      98 -58.0129      99 -56.1218     100 -55.8740
     101 -56.0004     102 -55.6300     103 -55.6859     104 -55.9101     105 -58.1566
     106 -58.2425     107 -56.4709     108 -55.1316     109 -54.9626     110 -55.3971
     111 -55.9553     112 -55.8538     113 -55.8270     114 -55.8194     115 -55.1687
     116 -54.9628     117 -55.0336     118 -56.3648     119 -60.4433     120 -60.6163
     121 -55.9210     122 -55.9998     123 -55.8642     124 -55.7389     125 -55.7476
     126 -56.1490     127 -58.0476     128 -58.2161     129 -56.0669     130 -55.7560
     131 -55.8619     132 -55.6151     133 -55.5643     134 -55.7988     135 -57.9363
     136 -58.0178     137 -56.4241     138 -55.0796     139 -54.9608     140 -55.2328
     141 -55.8215     142 -55.8643     143 -55.9710     144 -55.9334     145 -55.1762
     146 -55.1677     147 -55.2387     148 -56.4363     149 -60.6162     150 -60.5863
     151 -55.5654     152 -55.6231     153 -55.4713     154 -55.3037     155 -55.4098
     156 -55.8563     157 -57.8999     158 -57.8517     159 -55.9514     160 -55.7135
     161 -55.9108     162 -55.5022     163 -55.5817     164 -55.8144     165 -57.9768
     166 -58.1384     167 -56.4389     168 -55.0605     169 -54.8802     170 -55.2864
     171 -55.9440     172 -55.9135     173 -55.8094     174 -55.7362     175 -55.2865
     176 -54.7748     177 -54.9955     178 -56.4026     179 -60.4385     180 -60.6258
     181 -55.9524     182 -56.1393     183 -55.9691     184 -55.7034     185 -55.6931
     186 -56.2287     187 -58.0471     188 -58.2405     189 -56.2406     190 -55.8858
     191 -56.0362     192 -55.7537     193 -55.7291     194 -55.9524     195 -58.0764
     196 -58.2141     197 -56.4700     198 -55.0183     199 -54.9523     200 -55.2623
     201 -55.8683     202 -55.9368     203 -55.8863     204 -55.8301     205 -55.1316
     206 -55.1913     207 -55.1245     208 -56.4041     209 -60.7228     210 -60.5246
     211 -55.9392     212 -56.0961     213 -55.9500     214 -55.7171     215 -55.6758
     216 -56.2082     217 -58.0850     218 -58.2707     219 -56.1106     220 -55.8044
     221 -55.9004     222 -55.5879     223 -55.5021     224 -55.7958     225 -57.9600
     226 -58.1257     227 -56.4882     228 -55.0766     229 -55.0531     230 -55.2228
     231 -55.7344     232 -55.9543     233 -55.9597     234 -55.6690     235 -55.0351
     236 -55.1052     237 -55.1475     238 -56.4417     239 -60.3878     240 -60.3400
     241 -55.9222     242 -55.9836     243 -55.8565     244 -55.7159     245 -55.7415
     246 -56.1709     247 -58.0912     248 -58.1073     249 -56.1722     250 -55.8587
     251 -55.9627     252 -55.7132     253 -55.7032     254 -55.8850     255 -57.9897
     256 -58.0692     257 -56.3341     258 -55.0402     259 -54.8613     260 -55.1880
     261 -55.7661     262 -55.7811     263 -55.8598     264 -55.9403     265 -55.3569
     266 -54.9685     267 -55.1306     268 -56.4230     269 -60.6243     270 -60.3560
     271 -55.8542     272 -55.9364     273 -55.7567     274 -55.6618     275 -55.6353
     276 -56.0333     277 -58.1149     278 -58.1402     279 -55.9059     280 -55.6457
     281 -55.7513     282 -55.4729     283 -55.4444     284 -55.7519     285 -57.9672
     286 -58.0561     287 -56.3901     288 -54.9820     289 -54.9365     290 -55.2698
     291 -55.8799     292 -55.8553     293 -55.8396     294 -55.7938     295 -55.1282
     296 -54.9219     297 -55.0119     298 -56.3465     299 -60.3778     300 -60.5404
     301 -55.8464     302 -55.9947     303 -55.8812     304 -55.5648     305 -55.6025
     306 -56.0958     307 -58.0722     308 -58.2382     309 -56.1282     310 -55.8149
     311 -55.9676     312 -55.6737     313 -55.6400     314 -55.8833     315 -58.0080
     316 -58.0972     317 -56.3961     318 -55.0172     319 -54.8758     320 -55.2156
     321 -55.7909     322 -55.7718     323 -55.9030     324 -55.9155     325 -55.1666
     326 -55.1204     327 -55.2173     328 -56.4260     329 -60.6113     330 -60.3932
     331 -55.8025     332 -55.8191     333 -55.7122     334 -55.6249     335 -55.6129
     336 -56.0631     337 -57.9899     338 -57.9603     339 -55.9284     340 -55.5862
     341 -55.7551     342 -55.5523     343 -55.5620     344 -55.7641     345 -57.9719
     346 -57.9607     347 -56.3919     348 -54.9196     349 -54.9030     350 -55.2189
     351 -55.7818     352 -55.8013     353 -55.7675     354 -55.7261     355 -55.1726
     356 -54.8627     357 -54.9720     358 -56.3578     359 -60.4305     360 -60.5014
     361 -39.1594     362 -38.8097     363 -39.0115     364 -39.1402     365 -38.9721
     366 -38.7113     367 -38.1702     368 -37.9556     369 -38.0687     370 -38.1070
     371 -38.1759     372 -38.2203     373 -38.8086     374 -38.2843     375 -38.7028
     376 -38.9383     377 -38.8534     378 -38.7417     379 -38.1639     380 -38.1141
     381 -38.2277     382 -38.0832     383 -38.2736     384 -37.9794     385 -38.8860
     386 -38.7425     387 -38.9064     388 -38.8978     389 -38.8335     390 -38.5061
     391 -38.2612     392 -38.1798     393 -38.1927     394 -38.0975     395 -38.2639
     396 -38.2538     397 -38.7765     398 -38.4191     399 -38.7313     400 -38.9118
     401 -38.7256     402 -38.7354     403 -38.2534     404 -38.1850     405 -38.2872
     406 -38.1223     407 -38.1098     408 -38.0941     409 -38.8249     410 -38.7495
     411 -39.0037     412 -38.7482     413 -38.8845     414 -38.5797     415 -38.2562
     416 -38.1807     417 -38.0671     418 -38.2564     419 -38.3983     420 -38.3051
     421 -38.5827     422 -38.2757     423 -38.5283     424 -38.7276     425 -38.5767
     426 -38.6195     427 -38.2151     428 -38.0241     429 -38.2552     430 -38.1967
     431 -38.1610     432 -38.0188     433 -38.8999     434 -38.7726     435 -39.0265
     436 -38.7829     437 -39.0095     438 -38.6045     439 -38.4946     440 -38.0567
     441 -38.1855     442 -38.2571     443 -38.2713     444 -38.0513     445 -38.9022
     446 -38.7969     447 -38.9364     448 -38.7692     449 -38.7627     450 -38.3063
     451 -38.1225     452 -37.9758     453 -38.0783     454 -38.0270     455 -37.9988
     456 -37.9771     457 -38.9467     458 -38.6581     459 -38.8634     460 -38.9107
     461 -38.8643     462 -38.6588     463 -38.3137     464 -38.1304     465 -38.0257
     466 -38.4325     467 -38.1720     468 -38.3010     469 -38.9123     470 -38.7396
     471 -38.7418     472 -38.8334     473 -38.5480     474 -38.3570     475 -38.1502
     476 -37.9783     477 -38.2083     478 -38.1132     479 -38.1633     480 -37.9331
     481 -38.8812     482 -38.7288     483 -38.8879     484 -38.8939     485 -38.9171
     486 -38.7268     487 -38.2033     488 -38.1330     489 -38.1171     490 -38.3393
     491 -38.2076     492 -38.2643     493 -38.8834     494 -38.5668     495 -38.6952
     496 -38.7731     497 -38.5696     498 -38.4939     499 -38.1656     500 -37.8598
     501 -38.1253     502 -38.1360     503 -38.1509     504 -37.9431     505 -38.2666
     506 -41.1797     507 -71.6236     508 -71.5622     509 -71.4276     510 -71.5888
     511 -71.3651     512 -71.5855     513 -71.3414     514 -71.5866     515 -71.5670
     516 -71.4611     517 -71.3639     518 -71.5430     519 -71.5746     520 -71.6453
     521 -71.4466     522 -71.5098     523 -71.5145     524 -71.4600     525 -71.5361
     526 -71.4230     527 -71.5493     528 -71.5041     529 -71.1790     530 -71.5864
     531 -76.9387     532 -76.8756     533 -76.7019     534 -76.8398     535 -76.7366
     536 -76.4780     537 -76.8459     538 -76.9070     539 -76.9460     540 -77.0366
     541 -76.8145     542 -76.7611     543 -76.7172     544 -76.6417     545 -76.9468
     546 -76.9327     547 -76.8957     548 -76.7368     549 -76.6723     550 -76.5828
     551 -76.5387     552 -76.6330     553 -76.7395     554 -76.6154     555 -76.8273
     556 -76.7597     557 -76.8814     558 -76.7496     559 -76.9610     560 -76.7972
     561 -76.7804     562 -76.5949     563 -76.7355     564 -76.8374     565 -76.7242
     566 -76.6762     567 -76.7927     568 -76.8961     569 -76.7971     570 -76.5967
     571 -76.9470     572 -76.7852     573 -76.7510     574 -76.6805     575 -76.5934
     576 -76.6510     577 -76.5475     578 -76.5165     579 -82.2757     580 -82.4017
     581 -82.3371     582 -82.2393     583 -82.3363     584 -82.2852     585 -82.4791
     586 -82.5797     587 -82.4310     588 -82.2082     589 -82.1299     590 -82.2565
     591 -82.3728     592 -82.2745     593 -82.3560     594 -82.6458     595 -82.7314
     596 -82.6227     597 -82.5731     598 -82.4903     599 -82.4923     600 -82.4011
     601 -82.0669     602 -82.2580     603 -82.6565     604 -82.4790     605 -82.5385
     606 -82.5503     607 -82.4431     608 -82.4810     609 -82.7588     610 -82.3717
     611 -82.3649     612 -82.4110     613 -82.3404     614 -82.2126     615 -82.6563
     616 -82.3852     617 -82.4073     618 -82.7178     619 -82.8522     620 -82.6466
     621 -82.1940     622 -82.2937     623 -82.5458     624 -82.2386     625 -82.3911
     626 -82.4309     627 -82.1530     628 -82.3219     629 -82.2722     630 -82.5881
     631 -82.3016     632 -82.5186     633 -82.4579     634 -82.5032     635 -82.3454
     636 -82.2539     637 -82.3140     638 -82.1888     639 -82.2279     640 -82.3109
     641 -82.3196     642 -82.4544     643 -82.5113     644 -82.4793     645 -82.3776
     646 -82.4836     647 -82.4179     648 -82.3034     649 -82.3413     650 -82.2798
 
 
 
 E-fermi :  -1.4553     XC(G=0):  -6.4740     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.2175      2.00000
      2     -29.0212      2.00000
      3     -29.0163      2.00000
      4     -28.9851      2.00000
      5     -28.9231      2.00000
      6     -28.9054      2.00000
      7     -28.9008      2.00000
      8     -28.8958      2.00000
      9     -28.8851      2.00000
     10     -28.8204      2.00000
     11     -28.7955      2.00000
     12     -28.7789      2.00000
     13     -28.7758      2.00000
     14     -28.7708      2.00000
     15     -28.7440      2.00000
     16     -28.6541      2.00000
     17     -28.6461      2.00000
     18     -28.6152      2.00000
     19     -28.6066      2.00000
     20     -28.6066      2.00000
     21     -28.5763      2.00000
     22     -28.5564      2.00000
     23     -28.5263      2.00000
     24     -28.4873      2.00000
     25     -26.9166      2.00000
     26     -26.8358      2.00000
     27     -26.7999      2.00000
     28     -26.7988      2.00000
     29     -26.7246      2.00000
     30     -26.6606      2.00000
     31     -26.6571      2.00000
     32     -26.6419      2.00000
     33     -26.6413      2.00000
     34     -26.6054      2.00000
     35     -26.5962      2.00000
     36     -26.5890      2.00000
     37     -26.5620      2.00000
     38     -26.5472      2.00000
     39     -26.5447      2.00000
     40     -26.5318      2.00000
     41     -26.5236      2.00000
     42     -26.5129      2.00000
     43     -26.4982      2.00000
     44     -26.4654      2.00000
     45     -26.4636      2.00000
     46     -26.4585      2.00000
     47     -26.4456      2.00000
     48     -26.4258      2.00000
     49     -26.4154      2.00000
     50     -26.3895      2.00000
     51     -26.3862      2.00000
     52     -26.3861      2.00000
     53     -26.3754      2.00000
     54     -26.3678      2.00000
     55     -26.3576      2.00000
     56     -26.3533      2.00000
     57     -26.3491      2.00000
     58     -26.3490      2.00000
     59     -26.3352      2.00000
     60     -26.3329      2.00000
     61     -26.3077      2.00000
     62     -26.2903      2.00000
     63     -26.2830      2.00000
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   1211      -2.3903      2.00000
   1212      -2.3850      2.00000
   1213      -2.3785      2.00000
   1214      -2.3700      2.00000
   1215      -2.3586      2.00000
   1216      -2.3513      2.00000
   1217      -2.3449      2.00000
   1218      -2.3363      2.00000
   1219      -2.3314      2.00000
   1220      -2.3190      2.00000
   1221      -2.3153      2.00000
   1222      -2.3109      2.00000
   1223      -2.2956      2.00000
   1224      -2.2927      2.00000
   1225      -2.2778      2.00000
   1226      -2.2696      2.00000
   1227      -2.2653      2.00000
   1228      -2.2460      2.00000
   1229      -2.2346      2.00000
   1230      -2.2312      2.00000
   1231      -2.2166      2.00000
   1232      -2.2033      2.00000
   1233      -2.1936      2.00000
   1234      -2.1846      2.00000
   1235      -2.1626      2.00001
   1236      -2.1407      2.00001
   1237      -2.1219      2.00003
   1238      -1.7866      2.04092
   1239      -1.7225      2.06763
   1240      -1.7007      2.07091
   1241      -1.6795      2.06712
   1242      -1.6685      2.06140
   1243      -1.6523      2.04708
   1244      -1.6332      2.01921
   1245      -1.6173      1.98532
   1246      -1.6079      1.96007
   1247      -1.6019      1.94184
   1248      -1.5889      1.89645
   1249      -1.5757      1.84198
   1250       0.1021     -0.00000
   1251       0.1322     -0.00000
   1252       0.1824     -0.00000
   1253       0.1988     -0.00000
   1254       0.2202     -0.00000
   1255       0.2546     -0.00000
   1256       0.2887     -0.00000
   1257       0.2941     -0.00000
   1258       0.3089     -0.00000
   1259       0.3427     -0.00000
   1260       0.3609     -0.00000
   1261       0.4537     -0.00000
   1262       0.5957     -0.00000
   1263       0.6033     -0.00000
   1264       0.6658     -0.00000
   1265       0.7012     -0.00000
   1266       0.7171     -0.00000
   1267       0.7294     -0.00000
   1268       0.7617     -0.00000
   1269       0.7654     -0.00000
   1270       0.7741     -0.00000
   1271       0.7849     -0.00000
   1272       0.7889     -0.00000
   1273       0.8372     -0.00000
   1274       0.8823     -0.00000
   1275       0.9047     -0.00000
   1276       0.9113     -0.00000
   1277       0.9259     -0.00000
   1278       0.9447     -0.00000
   1279       0.9482     -0.00000
   1280       1.0173     -0.00000
   1281       1.0492     -0.00000
   1282       1.0678     -0.00000
   1283       1.0986     -0.00000
   1284       1.1189     -0.00000
   1285       1.1342     -0.00000
   1286       1.2133     -0.00000
   1287       1.2480     -0.00000
   1288       1.3307     -0.00000
   1289       1.3402     -0.00000
   1290       1.3819     -0.00000
   1291       1.4588     -0.00000
   1292       1.5326     -0.00000
   1293       1.5487     -0.00000
   1294       1.5653     -0.00000
   1295       1.5926     -0.00000
   1296       1.6417     -0.00000
   1297       1.6662     -0.00000
   1298       1.8291     -0.00000
   1299       1.8494     -0.00000
   1300       1.8798     -0.00000
   1301       1.9021     -0.00000
   1302       1.9306     -0.00000
   1303       1.9430     -0.00000
   1304       1.9891     -0.00000
   1305       2.0148     -0.00000
   1306       2.0412     -0.00000
   1307       2.0621     -0.00000
   1308       2.0756     -0.00000
   1309       2.0910     -0.00000
   1310       2.1023     -0.00000
   1311       2.1191     -0.00000
   1312       2.1275     -0.00000
   1313       2.1467     -0.00000
   1314       2.1550     -0.00000
   1315       2.1874     -0.00000
   1316       2.1972     -0.00000
   1317       2.2297     -0.00000
   1318       2.2306     -0.00000
   1319       2.2435     -0.00000
   1320       2.3223     -0.00000
   1321       2.3359     -0.00000
   1322       2.3755     -0.00000
   1323       2.4156     -0.00000
   1324       2.4245     -0.00000
   1325       2.4691     -0.00000
   1326       2.4842     -0.00000
   1327       2.4909     -0.00000
   1328       2.5089     -0.00000
   1329       2.5198     -0.00000
   1330       2.5382     -0.00000
   1331       2.5655     -0.00000
   1332       2.5830     -0.00000
   1333       2.5966     -0.00000
   1334       2.6010     -0.00000
   1335       2.6088     -0.00000
   1336       2.6416     -0.00000
   1337       2.6545     -0.00000
   1338       2.6697     -0.00000
   1339       2.6767     -0.00000
   1340       2.6795     -0.00000
   1341       2.6998     -0.00000
   1342       2.7192     -0.00000
   1343       2.7363     -0.00000
   1344       2.7596     -0.00000
   1345       2.8018     -0.00000
   1346       2.9522     -0.00000
   1347       3.0019     -0.00000
   1348       3.0335     -0.00000
   1349       3.0361     -0.00000
   1350       3.0553     -0.00000
   1351       3.0727     -0.00000
   1352       3.0770     -0.00000
   1353       3.1167     -0.00000
   1354       3.1379     -0.00000
   1355       3.1490     -0.00000
   1356       3.1755     -0.00000
   1357       3.1866     -0.00000
   1358       3.2127     -0.00000
   1359       3.2386     -0.00000
   1360       3.2557     -0.00000
   1361       3.2995     -0.00000
   1362       3.4071     -0.00000
   1363       3.4673     -0.00000
   1364       3.5203     -0.00000
   1365       3.6030     -0.00000
   1366       3.6492     -0.00000
   1367       3.6856     -0.00000
   1368       3.7121     -0.00000
   1369       3.7579     -0.00000
   1370       3.7666     -0.00000
   1371       3.7984     -0.00000
   1372       3.8267     -0.00000
   1373       3.8590     -0.00000
   1374       3.8725      0.00000
   1375       3.8860      0.00000
   1376       3.9045      0.00000
   1377       3.9165      0.00000
   1378       3.9283      0.00000
   1379       3.9368      0.00000
   1380       3.9607      0.00000
   1381       3.9630      0.00000
   1382       3.9796      0.00000
   1383       4.0016      0.00000
   1384       4.0203      0.00000
   1385       4.0228      0.00000
   1386       4.0332      0.00000
   1387       4.0413      0.00000
   1388       4.0491      0.00000
   1389       4.0686      0.00000
   1390       4.0805      0.00000
   1391       4.0895      0.00000
   1392       4.0994      0.00000
   1393       4.1041      0.00000
   1394       4.1303      0.00000
   1395       4.1327      0.00000
   1396       4.1431      0.00000
   1397       4.1522      0.00000
   1398       4.1690      0.00000
   1399       4.1790      0.00000
   1400       4.1946      0.00000
   1401       4.2144      0.00000
   1402       4.2208      0.00000
   1403       4.2485      0.00000
   1404       4.2603      0.00000
   1405       4.2681      0.00000
   1406       4.2809      0.00000
   1407       4.2968      0.00000
   1408       4.3138      0.00000
   1409       4.3171      0.00000
   1410       4.3377      0.00000
   1411       4.3523      0.00000
   1412       4.3593      0.00000
   1413       4.3688      0.00000
   1414       4.3939      0.00000
   1415       4.4100      0.00000
   1416       4.4159      0.00000
   1417       4.4185      0.00000
   1418       4.4330      0.00000
   1419       4.4541      0.00000
   1420       4.4717      0.00000
   1421       4.4776      0.00000
   1422       4.4870      0.00000
   1423       4.5018      0.00000
   1424       4.5119      0.00000
   1425       4.5433      0.00000
   1426       4.5625      0.00000
   1427       4.5843      0.00000
   1428       4.6018      0.00000
   1429       4.6049      0.00000
   1430       4.6407      0.00000
   1431       4.6564      0.00000
   1432       4.6868      0.00000
   1433       4.6952      0.00000
   1434       4.7118      0.00000
   1435       4.7449      0.00000
   1436       4.7838      0.00000
   1437       4.8000      0.00000
   1438       4.8258      0.00000
   1439       4.8397      0.00000
   1440       4.8520      0.00000
   1441       4.8712      0.00000
   1442       4.8890      0.00000
   1443       4.9015      0.00000
   1444       4.9417      0.00000
   1445       4.9542      0.00000
   1446       4.9661      0.00000
   1447       4.9765      0.00000
   1448       4.9890      0.00000
   1449       5.0039      0.00000
   1450       5.0201      0.00000
   1451       5.0325      0.00000
   1452       5.0401      0.00000
   1453       5.0682      0.00000
   1454       5.0871      0.00000
   1455       5.0966      0.00000
   1456       5.1143      0.00000
   1457       5.1292      0.00000
   1458       5.1314      0.00000
   1459       5.1420      0.00000
   1460       5.1555      0.00000
   1461       5.1745      0.00000
   1462       5.2039      0.00000
   1463       5.2078      0.00000
   1464       5.2233      0.00000
   1465       5.2329      0.00000
   1466       5.2339      0.00000
   1467       5.2568      0.00000
   1468       5.2718      0.00000
   1469       5.2855      0.00000
   1470       5.2916      0.00000
   1471       5.3000      0.00000
   1472       5.3151      0.00000
   1473       5.3176      0.00000
   1474       5.3316      0.00000
   1475       5.3435      0.00000
   1476       5.3533      0.00000
   1477       5.3646      0.00000
   1478       5.3752      0.00000
   1479       5.3811      0.00000
   1480       5.3903      0.00000
   1481       5.3973      0.00000
   1482       5.4046      0.00000
   1483       5.4176      0.00000
   1484       5.4298      0.00000
   1485       5.4394      0.00000
   1486       5.4467      0.00000
   1487       5.4577      0.00000
   1488       5.4663      0.00000
   1489       5.4716      0.00000
   1490       5.4830      0.00000
   1491       5.4927      0.00000
   1492       5.4973      0.00000
   1493       5.5029      0.00000
   1494       5.5204      0.00000
   1495       5.5230      0.00000
   1496       5.5266      0.00000
   1497       5.5460      0.00000
   1498       5.5556      0.00000
   1499       5.5591      0.00000
   1500       5.5698      0.00000
   1501       5.5845      0.00000
   1502       5.5940      0.00000
   1503       5.6034      0.00000
   1504       5.6044      0.00000
   1505       5.6257      0.00000
   1506       5.6394      0.00000
   1507       5.6427      0.00000
   1508       5.6564      0.00000
   1509       5.6665      0.00000
   1510       5.6760      0.00000
   1511       5.6832      0.00000
   1512       5.6888      0.00000
   1513       5.6996      0.00000
   1514       5.7047      0.00000
   1515       5.7168      0.00000
   1516       5.7244      0.00000
   1517       5.7474      0.00000
   1518       5.7534      0.00000
   1519       5.7658      0.00000
   1520       5.7832      0.00000
   1521       5.7865      0.00000
   1522       5.7952      0.00000
   1523       5.8054      0.00000
   1524       5.8137      0.00000
   1525       5.8241      0.00000
   1526       5.8330      0.00000
   1527       5.8408      0.00000
   1528       5.8590      0.00000
   1529       5.8667      0.00000
   1530       5.8750      0.00000
   1531       5.8885      0.00000
   1532       5.9008      0.00000
   1533       5.9134      0.00000
   1534       5.9203      0.00000
   1535       5.9254      0.00000
   1536       5.9309      0.00000
   1537       5.9424      0.00000
   1538       5.9518      0.00000
   1539       5.9531      0.00000
   1540       5.9714      0.00000
   1541       5.9747      0.00000
   1542       5.9811      0.00000
   1543       5.9894      0.00000
   1544       6.0010      0.00000
   1545       6.0117      0.00000
   1546       6.0203      0.00000
   1547       6.0290      0.00000
   1548       6.0323      0.00000
   1549       6.0388      0.00000
   1550       6.0474      0.00000
   1551       6.0632      0.00000
   1552       6.0667      0.00000
   1553       6.0758      0.00000
   1554       6.0903      0.00000
   1555       6.0953      0.00000
   1556       6.1057      0.00000
   1557       6.1205      0.00000
   1558       6.1306      0.00000
   1559       6.1402      0.00000
   1560       6.1468      0.00000
   1561       6.1502      0.00000
   1562       6.1595      0.00000
   1563       6.1614      0.00000
   1564       6.1806      0.00000
   1565       6.1859      0.00000
   1566       6.1964      0.00000
   1567       6.2025      0.00000
   1568       6.2070      0.00000
   1569       6.2190      0.00000
   1570       6.2226      0.00000
   1571       6.2286      0.00000
   1572       6.2385      0.00000
   1573       6.2530      0.00000
   1574       6.2606      0.00000
   1575       6.2689      0.00000
   1576       6.2704      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.087  13.411  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.411  17.830  -0.001   0.001  -0.000   0.003  -0.005   0.000
 -0.001  -0.001  -4.233   0.002   0.001   8.279  -0.004  -0.001
  0.001   0.001   0.002  -4.232   0.001  -0.004   8.277  -0.000
 -0.000  -0.000   0.001   0.001  -4.226  -0.001  -0.000   8.270
  0.002   0.003   8.279  -0.004  -0.001 -18.322   0.006   0.001
 -0.004  -0.005  -0.004   8.277  -0.000   0.006 -18.318  -0.000
  0.000   0.000  -0.001  -0.000   8.270   0.001  -0.000 -18.313
 total augmentation occupancy for first ion, spin component:           1
  8.433  -3.795   0.165   0.113  -0.041   0.020   0.022  -0.007
 -3.795   1.782  -0.086  -0.079   0.024  -0.009  -0.013   0.004
  0.165  -0.086   1.785  -0.065  -0.040   0.169  -0.011  -0.008
  0.113  -0.079  -0.065   1.893  -0.074  -0.011   0.177  -0.010
 -0.041   0.024  -0.040  -0.074   1.216  -0.008  -0.010   0.080
  0.020  -0.009   0.169  -0.011  -0.008   0.018  -0.002  -0.001
  0.022  -0.013  -0.011   0.177  -0.010  -0.002   0.018  -0.001
 -0.007   0.004  -0.008  -0.010   0.080  -0.001  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -52045.17769 99263.29496 26936.06994-11862.38751  6762.47442 21648.26462
  Hartree  3436.21472126127.91911 65099.77783-12186.00922  4721.47710 16071.95173
  E(xc)  -10735.34216-10588.94581-10632.61719     2.52053     8.08094    31.69540
  Local   15187.99355************************ 24031.94725-11510.42347-37152.33680
  n-local -5848.46814 -5974.31793 -6035.21705     4.07458    17.12784   -61.54428
  augment  1493.21338  1536.15332  1486.77489     5.63327    13.20136    -2.35528
  Kinetic 45526.52295 43203.37569 43706.03723   -18.78024   -72.92966  -546.24355
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -77.1846685   -431.2843162   -124.5083488    -23.0013530    -60.9914741    -10.5681547
  in kB      -12.8711613    -71.9201119    -20.7627638     -3.8356597    -10.1708165     -1.7623244
  external PRESSURE =     -35.1846790 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.247E+03 -.117E+03 0.248E+03   0.247E+03 0.117E+03 -.249E+03   -.138E+00 -.393E+00 0.139E+01   0.201E-03 0.116E-02 -.674E-03
   -.205E+03 -.139E+03 0.568E+02   0.205E+03 0.141E+03 -.566E+02   0.167E+00 -.131E+01 -.537E+00   0.279E-03 0.105E-02 -.529E-03
   -.174E+03 -.125E+03 0.343E+01   0.174E+03 0.126E+03 -.187E+01   0.320E+00 -.146E+01 -.162E+01   0.158E-03 0.530E-03 -.511E-03
   -.228E+03 -.102E+03 0.346E+03   0.228E+03 0.102E+03 -.348E+03   -.113E+00 -.953E-01 0.247E+01   -.333E-04 0.107E-02 -.116E-02
   -.180E+03 -.150E+03 0.307E+03   0.180E+03 0.151E+03 -.308E+03   0.116E+00 -.676E+00 0.100E+01   -.591E-03 0.767E-03 -.125E-02
   -.160E+03 -.113E+03 0.170E+03   0.160E+03 0.113E+03 -.170E+03   0.151E+00 -.119E+00 0.140E+00   -.387E-03 0.448E-03 -.886E-03
   -.248E+03 -.134E+03 0.183E+03   0.247E+03 0.138E+03 -.183E+03   0.676E+00 -.432E+01 0.919E+00   0.603E-03 0.886E-03 -.979E-03
   -.187E+03 -.120E+03 0.340E+02   0.188E+03 0.124E+03 -.363E+02   -.408E+00 -.410E+01 0.192E+01   0.686E-03 0.133E-02 -.799E-03
   -.118E+03 0.520E+01 0.199E+03   0.118E+03 -.516E+01 -.199E+03   0.281E-01 0.135E+00 0.234E+00   -.557E-03 0.907E-04 -.948E-03
   -.898E+02 0.873E+02 0.653E+02   0.894E+02 -.887E+02 -.643E+02   0.553E+00 0.164E+01 -.110E+01   -.852E-04 -.890E-04 -.947E-03
   -.101E+03 0.111E+03 0.139E+03   0.101E+03 -.112E+03 -.139E+03   0.276E+00 0.119E+01 -.114E+00   -.297E-03 -.227E-03 -.915E-03
   -.119E+03 0.125E+01 0.336E+03   0.119E+03 -.158E+01 -.338E+03   -.213E+00 0.257E+00 0.111E+01   -.106E-02 -.214E-03 -.931E-03
   -.120E+03 -.365E+02 0.368E+03   0.120E+03 0.377E+02 -.370E+03   0.121E+00 -.942E+00 0.226E+01   -.847E-03 -.472E-03 -.598E-03
   -.130E+03 0.309E+02 0.309E+03   0.130E+03 -.311E+02 -.310E+03   -.411E+00 -.382E-01 0.134E+01   -.548E-03 -.330E-03 -.687E-03
   -.120E+03 0.114E+03 0.271E+03   0.119E+03 -.118E+03 -.273E+03   0.632E+00 0.391E+01 0.207E+01   -.214E-03 -.394E-03 -.612E-03
   -.924E+02 0.123E+03 0.108E+03   0.921E+02 -.127E+03 -.111E+03   0.308E+00 0.309E+01 0.337E+01   -.545E-04 -.253E-03 -.517E-03
   -.880E+02 0.116E+03 0.622E+02   0.883E+02 -.112E+03 -.579E+02   -.455E+00 -.471E+01 -.393E+01   0.187E-03 0.591E-04 -.191E-04
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 -----------------------------------------------------------------------------------------------
   0.254E+01 -.433E+01 -.923E+01   0.935E-11 -.460E-11 -.296E-11   -.258E+01 0.431E+01 0.925E+01   0.353E-01 0.182E-01 -.239E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.02283      3.15971      1.37377        -0.044416      0.320120      0.123138
     12.82320      3.58542      2.69220        -0.033328     -0.132066     -0.324349
     12.79031      4.95201      3.02716         0.015800     -0.353780     -0.064272
     13.04469      4.08931      0.34185         0.110257     -0.324626      0.006203
     12.95140      5.43475      0.67190        -0.003745      0.183174     -0.047776
     12.90136      5.92439      1.99772         0.037547     -0.020787      0.019695
     13.16307      1.68208      1.32194        -0.154042      0.437398      0.820375
     12.63328      2.34281      3.51668         0.122205     -0.014735     -0.357777
     13.01787      7.40564      2.23403        -0.047017      0.174871      0.124466
     13.00137      8.00486      3.51960         0.084056      0.243408     -0.080739
     13.28124      9.37086      3.65733         0.015166      0.131242     -0.272902
     13.20603      8.29241      1.14208        -0.060919     -0.073745     -0.135381
     13.41604      9.66673      1.27365         0.116357      0.203349      0.067803
     13.49823     10.20251      2.56084        -0.196420     -0.281494     -0.207300
     13.70165     11.60592      3.01849         0.036612     -0.537863      0.534974
     13.38380     10.21199      4.88212         0.015024     -0.101550      0.355589
     13.72971     12.69692      5.35357        -0.066582     -0.026733      0.298476
     13.43282     12.59220      6.71756        -0.024651     -0.152829      0.388221
     13.43015     13.70856      7.56721         0.084328     -0.206088     -0.218917
     14.06442     13.98968      4.93031         0.029936     -0.004917     -0.013423
     14.06954     15.10434      5.80131         0.085265     -0.192835     -0.241449
     13.75830     15.02723      7.20081         0.231604      0.155234      0.156519
     13.84852     16.15244      8.26632        -0.079851     -0.144973      0.026649
     13.28845     16.12075      9.60176        -0.089234     -0.193218      0.022146
     13.37717     17.23443     10.44833        -0.155632     -0.165914      0.175940
     14.48277     17.39375      7.98789         0.006592     -0.090501     -0.027850
     14.46527     18.52450      8.80652         0.138016     -0.059614      0.118643
     13.92082     18.44528     10.07089        -0.041568     -0.015802      0.163043
     12.49464     15.00555     10.27296        -0.049247      0.062426      0.194169
     14.64675     16.31481      5.12226        -0.342499      0.119725      0.102207
      9.71657      3.85489      4.78262         0.046964      0.249404     -0.082127
      9.74482      4.79547      3.75573         0.058077     -0.110439      0.099270
      9.87349      6.16744      4.05066        -0.102513     -0.283218     -0.209443
      9.79598      4.25076      6.10635         0.086710     -0.103468      0.178110
      9.84771      5.60408      6.40517         0.129180      0.180359     -0.174497
      9.90735      6.60522      5.40024         0.071657     -0.237451      0.047485
      9.48585      2.50152      4.24948        -0.090620     -0.689529     -0.019061
      9.63046      4.02780      2.46258        -0.015569     -0.143459      0.216429
     10.00210      8.04477      5.79045         0.034227      0.109328     -0.083548
     10.13304      9.06631      4.81946        -0.065408      0.303735      0.219287
     10.21912     10.39528      5.22605         0.183197      0.198279      0.255308
      9.93707      8.45040      7.14849         0.108027     -0.108426     -0.044491
     10.01829      9.78571      7.55465        -0.037705      0.238089     -0.039363
     10.17986     10.76267      6.57355        -0.014265     -0.051128      0.005837
     10.27490     12.25076      6.69540         0.046427     -0.848287     -1.045867
     10.36982     11.64457      4.42154        -0.147685     -0.048621      0.138369
     10.79984     14.08941      4.97469        -0.207828      0.199747      0.060745
     11.30022     14.41722      3.71253        -0.015036      0.038156     -0.123972
     11.70967     15.72284      3.41572        -0.082056     -0.005796     -0.040401
     10.68609     15.16517      5.87230         0.146751      0.119435     -0.034988
     11.04191     16.49860      5.54276        -0.159309     -0.036965      0.038978
     11.59103     16.85959      4.24209        -0.110453      0.069988     -0.044178
     12.02682     18.26241      3.71232        -0.056222      0.000048      0.058226
     12.56762     18.67807      2.43568         0.059429      0.106579     -0.316674
     12.85479     20.03174      2.13852        -0.097496     -0.112117      0.023198
     11.90777     19.37094      4.56877         0.115253      0.101639      0.048425
     12.16793     20.71332      4.28779         0.082969     -0.051726      0.238683
     12.61587     21.08767      3.02351         0.014052      0.211911     -0.119507
     12.95203     17.81727      1.23935         0.080360     -0.379827     -0.234256
     10.79730     17.42906      6.73143        -0.078927     -0.147060      0.303177
     10.34538      7.08941     14.63082         0.031496      0.397262      0.190808
     10.22549      7.51772     15.96344         0.131384      0.087391     -0.228868
     10.24440      8.89878     16.30276         0.134197     -0.618666     -0.044509
     10.36235      8.05491     13.61326         0.017398     -0.538915      0.177369
     10.31455      9.40525     13.95808         0.024687      0.122918      0.130091
     10.31872      9.89571     15.28982         0.153970     -0.018340      0.062619
     10.42406      5.57604     14.56979        -1.080221      2.568964      3.134551
     10.04528      6.26641     16.82015         0.351170      0.287659     -2.463369
     10.42607     11.39957     15.54856        -0.039443      0.179582      0.181667
     10.41782     11.99625     16.84434         0.044339      0.207987      0.089714
     10.58296     13.38962     17.00752         0.061815      0.131471     -0.241499
     10.55236     12.32014     14.46944        -0.068781     -0.073373     -0.042481
     10.68777     13.70575     14.62052         0.101970      0.159501      0.133814
     10.73172     14.23939     15.91004        -0.092334     -0.258312     -0.045830
     10.85951     15.66124     16.36155         0.031737     -0.518571      0.192308
     10.60568     14.26818     18.23504         0.096664     -0.135639      0.025192
     10.69213     16.82631     18.65682         0.061292     -0.079099     -0.050749
     10.16240     16.76092     19.94333        -0.153723      0.098364      0.182821
      9.96140     17.92063     20.71089        -0.046959     -0.073506      0.038836
     11.07740     18.12538     18.26028         0.078049     -0.070410     -0.017093
     10.96951     19.27220     19.08855         0.058444     -0.022681     -0.223879
     10.38540     19.23327     20.41703         0.084393     -0.029325     -0.018386
     10.19394     20.37049      0.20703        -0.282306     -0.147869      0.084554
      9.60035     20.30037      1.53766        -0.332843      0.055888     -0.076622
      9.38790      0.19187      2.32682         0.038527      0.010024      0.090478
     10.56421      0.44607     21.17417         0.037146      0.061986     -0.146282
     10.24988      1.60062      0.64791        -0.100117      0.130767     -0.058998
      9.66602      1.50478      1.91728         0.200857     -0.083020     -0.153187
      8.95186     19.10839      2.24618         0.506391     -0.002195      0.039163
     11.56727     20.49143     18.39567         0.054613      0.055053     -0.015328
      7.15559      7.64429     17.47577         0.061444      0.227135     -0.013685
      7.14466      8.59803     16.45353         0.127930     -0.171259     -0.012140
      7.20035      9.97528     16.73663        -0.147264     -0.246907     -0.020294
      7.25701      8.04234     18.80405         0.032586     -0.095040     -0.129493
      7.27251      9.40687     19.08929         0.172722      0.041346     -0.020122
      7.23946     10.41285     18.08875         0.029374     -0.035195     -0.099388
      6.87620      6.29017     16.92250         0.106661      0.579551     -0.548302
      7.03064      7.84308     15.14974        -0.152675     -0.260913      0.527218
      7.23072     11.86625     18.48698         0.098106      0.110739      0.027410
      7.31608     12.94121     17.56144        -0.109999      0.315162      0.032301
      7.27640     14.26790     18.02227         0.037199      0.150183      0.273835
      7.17860     12.22274     19.85900         0.131333     -0.173152     -0.098431
      7.20483     13.53726     20.31816        -0.013408      0.347645     -0.039490
      7.20693     14.57354     19.38703         0.030735     -0.238970     -0.116270
      7.18051     16.05510     19.59408         0.182007     -0.980383     -1.376870
      7.37994     15.57561     17.28706        -0.169531     -0.171127      0.568807
      7.57525     18.02465     18.02089        -0.220752      0.125953     -0.063325
      8.28470     18.41878     16.88582         0.005691     -0.023273     -0.025947
      8.61501     19.75506     16.68021         0.029145      0.130102     -0.067857
      7.18701     19.07279     18.88049         0.039204      0.135376      0.147839
      7.43315     20.44709     18.59281        -0.068809      0.002502      0.026408
      8.19709     20.86954     17.42730         0.083503      0.149718     -0.110908
      8.68013      1.01791     16.92297         0.228040     -0.234444      0.010483
      9.29352      1.36591     15.64205        -0.011117      0.642099      0.315943
      9.69425      2.69799     15.35344         0.361787     -0.049308     -0.009070
      8.64307      2.13394     17.78670        -0.069808     -0.330104      0.137503
      9.12928      3.41730     17.52226         0.071026      0.080861     -0.142510
      9.65723      3.76556     16.27160         0.048253      0.111651     -0.351927
      9.71742      0.51464     14.45394         0.207864     -1.040367     -0.178274
      6.81542      0.10442     19.64882        -0.222690     -0.184210      0.002662
      6.95300     10.87051      6.11606        -0.008852      0.306142      0.144642
      6.81209     11.32148      7.43115         0.015364     -0.067875     -0.214648
      6.88878     12.69058      7.75409         0.008237     -0.342590     -0.043490
      7.23984     11.77893      5.09699        -0.110126     -0.374116      0.067770
      7.33716     13.13020      5.41953        -0.055218      0.023124      0.099394
      7.13481     13.64351      6.72854        -0.001209     -0.079755      0.061216
      6.92880      9.38484      6.07530         0.020953     -0.074961      0.156306
      6.71851     10.09497      8.29705         0.050715     -0.125045     -0.192545
      7.23495     15.12685      6.96692         0.005876      0.293445      0.102706
      7.08113     15.75997      8.22989         0.093403      0.347975      0.052494
      7.21566     17.16529      8.33934         0.098651     -0.000753     -0.125098
      7.54208     15.98754      5.87753        -0.121601     -0.016876      0.036616
      7.58069     17.37600      5.96691        -0.109251      0.247308      0.259727
      7.41329     17.97759      7.22246        -0.006986     -0.345640     -0.025093
      7.63107     19.39944      7.64286        -0.110741      0.099505      0.009547
      7.35464     18.04819      9.54995        -0.054508     -0.079928      0.063042
      7.62380     20.57483      9.95462         0.104980      0.381473      0.090535
      7.16267     20.56426     11.28090        -0.051590     -0.181055     -0.086315
      7.06339      0.47056     12.04917         0.133344      0.142636     -0.019683
      8.08577      0.58923      9.55339         0.056579     -0.004798     -0.047398
      8.12726      1.72947     10.41341         0.425192     -0.028039     -0.430543
      7.57273      1.75770     11.74092         0.084278      0.004694     -0.019867
      7.47627      2.94124     12.76251        -0.370841     -0.367323      0.721492
      6.90010      2.85738     14.12102        -0.017361      0.183517     -0.514237
      6.72682      4.01235     14.91588         0.108322     -0.161026     -0.149562
      7.91408      4.27170     12.50240        -0.118672     -0.098218      0.359706
      7.70145      5.41911     13.29965        -0.064497     -0.044121     -0.060634
      7.09606      5.32023     14.55530         0.039972     -0.042476      0.136381
      6.25022      1.64504     14.82652         0.128796      0.096444     -0.152743
      8.95318      2.85170      9.79707         0.026328     -0.437498     -0.178069
      4.13415     11.48744     10.71113         0.113824      0.261088     -0.032543
      3.87158     12.36314      9.65815         0.141401     -0.066860      0.036634
      3.90839     13.75000      9.81729         0.139815     -0.193333      0.013730
      4.46620     12.00533     11.96027         0.080367     -0.059659     -0.261863
      4.50651     13.39559     12.12742         0.056994      0.076146     -0.092203
      4.23723     14.31492     11.07407         0.078153     -0.140832     -0.139548
      3.85635     10.08657     10.28651         0.004616      0.490878     -0.311443
      3.45765     11.55139      8.48089         0.041617     -0.127416     -0.045496
      4.29801     15.80580     11.28042         0.092764     -0.012612     -0.093652
      4.04884     16.75520     10.24781         0.094456      0.223297      0.032819
      4.12382     18.13346     10.52685         0.049817     -0.106580     -0.012774
      4.69515     16.31173     12.54114         0.115373     -0.082356     -0.061151
      4.78654     17.67278     12.81046        -0.046166      0.298810     -0.056040
      4.42669     18.58200     11.80924         0.060029     -0.266652      0.078689
      4.31687     20.05371     11.84228        -0.076195      0.667672      0.679904
      4.08207     19.35363      9.63973        -0.102918      0.142770     -0.729004
      4.37134      0.64636     10.10413         0.090342      0.246813     -0.010317
      4.78365      0.97691      8.81141        -0.019786     -0.248374     -0.066041
      5.22166      2.26262      8.50435         0.161642      0.265413      0.004938
      4.27783      1.76390     10.96097         0.126108      0.027443      0.000186
      4.73277      3.08946     10.63692        -0.211297     -0.217144      0.356636
      5.33264      3.39943      9.34790         0.040577     -0.067581      0.400891
      5.95171      4.76096      8.81023         0.013568     -0.173320      0.018582
      6.45986      5.06144      7.50170         0.300662      0.177199     -0.413997
      6.78519      6.39145      7.07022        -0.018319     -0.249171     -0.101750
      5.92322      5.93430      9.57909         0.150439      0.294315      0.119069
      6.21930      7.24614      9.17732        -0.020833     -0.270877      0.058216
      6.61183      7.54141      7.86693        -0.125092     -0.087863      0.176191
      6.59455      4.01917      6.39834        -0.012699      0.073350     -0.107218
      4.38085      3.99970     11.84487        -0.134770     -0.511460      0.111114
      1.00007     14.24700      0.85175        -0.001526      0.326169      0.049724
      1.60713     14.68433      2.03057        -0.018418      0.101853      0.096280
      1.62212     16.06918      2.35272        -0.116924     -0.276930     -0.189909
      0.57922     15.16265     21.14784        -0.111446     -0.461622      0.318107
      0.64928     16.51150      0.18690        -0.050318     -0.055544     -0.122520
      1.08067     17.02040      1.42896         0.181677      0.044428      0.225104
      0.93114     12.77313      0.81528        -0.131023     -0.143360      0.130240
      2.21987     13.43598      2.66601         0.203847     -0.271969      0.185822
      0.97631     18.52425      1.62600        -0.189520      0.159593     -0.134090
      1.33104     19.24296      2.79763        -0.046264      0.087292      0.056814
      1.16197     20.64030      2.83598        -0.031349      0.038940     -0.322819
      0.48115     19.31643      0.54340         0.030626     -0.160938      0.048739
      0.29147     20.69394      0.59081        -0.032350      0.285586     -0.234220
      0.61801      0.10077      1.76293         0.214701     -0.449079      0.230972
      0.58476      1.54818      2.06533        -0.024046      0.187518      0.121046
      1.60142      0.38377      3.84999         0.100394      0.222486      0.079821
      1.38321      2.93497      4.05932         0.012487      0.229720     -0.098766
      1.95909      2.95729      5.31921         0.184852     -0.051691      0.353337
      2.09484      4.14420      6.02861        -0.093202      0.193799     -0.205737
      0.93659      4.19534      3.62188        -0.198327     -0.056096     -0.230807
      1.06047      5.39421      4.36451        -0.272913     -0.131352     -0.315149
      1.73147      5.45819      5.62438         0.163736      0.257283      0.383358
      2.08282      6.72014      6.49088         0.006202     -0.387721     -0.135421
      2.55547      6.67321      7.83481         0.062085      0.197129     -0.119124
      3.04551      7.77598      8.56333        -0.252389     -0.039386     -0.206339
      2.06142      8.06948      6.04770        -0.048113      0.116932     -0.072854
      2.52728      9.18924      6.76520         0.101106     -0.020965     -0.043854
      3.06731      9.07427      8.06565        -0.215438     -0.043133     -0.345320
      2.81836      5.42150      8.57851         0.538329     -0.259325      0.388258
      0.31494      6.53725      3.70211         0.387213     -0.005766     -0.397080
      4.68605     14.08897      0.69801        -0.102235      0.233116     -0.133914
      4.06212     14.99842     -0.16722         0.030378     -0.221399      0.099298
      4.06749     16.39136      0.11396         0.030820     -0.169400     -0.060949
      5.36912     14.56450      1.81650        -0.158532     -0.469476     -0.256014
      5.37816     15.92775      2.07466        -0.090135      0.086539      0.204695
      4.71370     16.89921      1.28880        -0.180819      0.042391     -0.165164
      4.53370     12.67867      0.20917        -0.325070      0.529905     -0.394437
      3.48411     14.15613     19.95170         0.416830     -0.390563      0.592697
      4.75229     18.35843      1.76179        -0.076406      0.359208      0.015042
      4.13513     19.48124      1.12533         0.041014      0.134890     -0.026153
      4.30362     20.79688      1.63085         0.153127     -0.052379      0.055398
      5.48207     18.68347      2.93978         0.044247     -0.014886      0.141544
      5.66836     19.97585      3.44550        -0.088017      0.306917     -0.009244
      5.07593     21.04794      2.77043        -0.120191     -0.463182     -0.249406
      5.15335      1.25163      3.03662         0.141633      0.189586      0.228426
      3.82734      0.88709      1.12693         0.063083     -0.061045      0.128466
      4.00120      3.34321      2.02077         0.187093      0.143321      0.043329
      3.07891      3.92783      1.13543        -0.004365      0.175235     -0.333523
      2.80425      5.31366      1.10227         0.134052      0.497916      0.025789
      4.51801      4.28514      2.94048        -0.091893      0.111694     -0.098872
      4.23379      5.68634      2.86773         0.183271     -0.258626      0.096929
      3.42421      6.35685      1.88612         0.138349     -0.316975      0.095263
      3.15619      7.95463      1.79003        -0.118823      0.000992     -0.200423
      2.15329      8.55302      0.95471        -0.381742      0.120136     -0.129155
      1.76217      9.91597      1.00547         0.021005      0.035917      0.196141
      3.75594      9.02026      2.56749         0.230016     -0.364609     -0.004870
      3.29413     10.34659      2.70142         0.339920      0.743050     -0.019673
      2.25657     10.87875      1.91372        -0.079885     -0.429996     -0.456610
      1.24308      7.77538      0.01193        -0.037783      0.578071      0.040052
      4.90324      6.44938      3.96540        -0.268227      0.383053     -0.373500
     18.11958     17.33289     13.59202        -0.049828      0.159437      0.039746
     19.14453     17.81510     14.40950        -0.233418     -0.135752     -0.230495
     19.41422     19.18660     14.51757        -0.159429     -0.317495      0.051615
     17.37256     18.22472     12.82169        -0.136424     -0.158427      0.120077
     17.62889     19.59326     12.93975         0.085175      0.144583      0.088324
     18.62124     20.12632     13.80709        -0.045210     -0.079543      0.121467
     18.03963     15.84045     13.69524         0.813006      0.788148      0.560329
     19.81076     16.62297     15.02503         0.175072      0.008207      0.293273
     18.74488      0.35195     14.03340        -0.041580      0.283184      0.046132
     19.73041      0.93055     14.87965        -0.101569      0.516123      0.216817
     19.67537      2.30800     15.18316        -0.222871      0.142486     -0.014818
     17.79495      1.25405     13.47470         0.037375     -0.060196     -0.004755
     17.78348      2.63121     13.72176         0.152126      0.164723      0.192993
     18.72962      3.16272     14.60504        -0.033166     -0.370495     -0.165390
     18.94307      4.57039     15.07476         0.267183     -0.559540      0.123450
     20.45977      3.13756     16.16760        -0.124583      0.002045     -0.198384
     20.63979      5.66490     16.63001         0.109859      0.011213      0.288074
      0.68597      5.62647     17.11888         0.435782      0.165222      0.371282
      1.33936      6.78927     17.57932        -1.023510      0.008401     -0.212377
     20.00349      6.90768     16.78722        -0.324960      0.310054      0.071808
     20.60996      8.04401     17.39510         0.059975     -0.068636      0.144161
      0.75998      8.06155     17.79995        -0.470621     -0.144857     -0.173332
      1.62334      9.20425     18.42505        -0.077379      0.109382     -0.089406
      2.95460      9.11733     18.96686         0.570056      0.366232      0.152923
      3.63516     10.25308     19.52937        -0.258227      0.132762      0.124541
      1.11788     10.51960     18.59034         0.053122     -0.033742      0.048579
      1.78560     11.63134     19.12947        -0.144874     -0.102355     -0.285952
      3.07961     11.54718     19.62214         0.525546      0.153147      0.391561
      4.03934      8.02029     18.86702        -0.656132     -0.688177     -0.008673
     19.56911      9.14462     17.64829         0.139781     -0.220061      0.135996
      1.97930     18.18561     14.10444        -0.045557      0.067653      0.203799
      1.24913     19.13155     13.38898         0.145385     -0.220600      0.072571
      1.35399     20.49671     13.67964        -0.196326     -0.161294      0.006927
      2.88193     18.60715     15.07663         0.055831     -0.031891     -0.017345
      3.02468     19.97168     15.32729        -0.221587      0.377730      0.095542
      2.22577     20.96368     14.69857        -0.274803     -0.105399     -0.238942
      1.66546     16.81190     13.62357        -0.473656      1.023506     -0.444828
      0.47259     18.38437     12.34744        -0.145701     -0.090092     -0.032912
      2.35759      1.17185     15.00909         0.026168     -0.001990      0.171984
      1.72403      2.17228     14.23573         0.034814      0.662796      0.078120
      1.97936      3.53061     14.49529         0.131127      0.005443      0.125370
      3.18323      1.62695     16.07137        -0.279605     -0.155015      0.037906
      3.51920      2.96896     16.26989        -0.136891      0.319550     -0.058512
      2.93090      3.92921     15.44002         0.039775     -0.261367     -0.013530
      3.15318      5.39769     15.29933         0.591416      0.697349      0.267806
      1.39653      4.77512     13.88837         0.647380     -0.228691      0.685071
      1.64126      7.27684     14.45593         0.067924      0.029524     -0.180231
      0.35236      7.55215     14.00637        -0.223326     -0.054008     -0.184774
     21.05429      8.82699     14.12109        -0.086275      0.027322     -0.099296
      2.35969      8.39899     14.93218        -0.406174     -0.019069     -0.133601
      1.79707      9.70717     15.00756         0.066088      0.021609      0.055676
      0.42268     10.00256     14.59097         0.006357     -0.036740     -0.017620
     20.88379     11.35288     14.56719         0.005874      0.143603      0.030171
     19.51717     11.66441     14.14730        -0.141290     -0.087549     -0.066104
     18.98418     12.97583     14.17627         0.166841     -0.105651     -0.069621
      0.27989     12.54383     14.93898         0.068115      0.235658      0.254640
     -0.25909     13.83870     15.03895         0.145574     -0.066885      0.137380
     19.69132     14.10025     14.62334         0.129917      0.112958      0.138618
     18.46384     10.69989     13.60199        -0.109285     -0.165800      0.108079
      2.85852     10.69648     15.50919         0.260436     -0.160222      0.051594
     16.10352      0.41592      5.23173         0.260428      0.208430      0.120255
     16.87310      0.85732      6.31319        -0.094587     -0.070444     -0.136460
     16.94395      2.22431      6.65770         0.004696     -0.324572     -0.035124
     15.35422      1.32746      4.50791         0.141994     -0.313797     -0.051899
     15.41923      2.67312      4.84713         0.122622      0.103883      0.054018
     16.22095      3.18256      5.89147        -0.027446     -0.103303      0.008999
     16.36534     20.23669      4.93486         0.369786      0.440101      0.539019
     17.57410     20.90030      6.85664        -0.253009     -0.028566     -0.380157
     16.26090      4.67394      6.10785        -0.022879      0.208586      0.183374
     17.05984      5.29986      7.09649        -0.181615      0.302335      0.153304
     16.99022      6.69516      7.29074        -0.231004      0.014538     -0.049322
     15.44352      5.54334      5.33321         0.017760     -0.039739      0.052106
     15.42727      6.93124      5.48190         0.128803      0.216468      0.130711
     16.22107      7.51952      6.46642         0.020288     -0.340630      0.023686
     16.41831      8.95253      6.84008         0.174035      0.019864      0.073165
     17.55980      7.56601      8.36623        -0.002158      0.062024      0.203016
     17.74859     10.10908      8.70351         0.047545      0.309333      0.040609
     18.81396     10.01429      9.59721         0.060322     -0.028534      0.202715
     19.40584     11.15198     10.15610        -0.188700     -0.188304      0.012965
     17.30142     11.42940      8.48199         0.018191      0.119169      0.010244
     17.84330     12.57099      9.13935        -0.310717     -0.222332     -0.064902
     18.96917     12.47956     10.03931         0.027437      0.157194      0.182014
     19.73668     13.57746     10.82275         0.151626     -0.023944     -0.101830
     21.02066     13.46198     11.49732         0.133743     -0.248080     -0.043993
      0.42131     14.58171     12.02462        -0.061593      0.036000      0.070326
     19.25144     14.90797     10.89458        -0.048612      0.093380     -0.054913
     19.94885     16.03720     11.36655        -0.162467     -0.005868     -0.117711
     21.19884     15.88417     11.97319        -0.158511      0.497398     -0.048339
      0.74988     12.28454     11.61073        -0.089136     -0.163734     -0.037512
     17.04981     13.82407      8.80979         0.064673      0.067676     -0.153290
     20.39998      1.33283      6.10741        -0.151292      0.121944     -0.035861
     19.82308      2.38523      5.38426         0.028146      0.075638      0.336559
     19.81978      3.69196      5.84928         0.080641     -0.060430      0.210004
     20.91715      1.58166      7.37387        -0.112424     -0.057641      0.061572
     20.85981      2.88681      7.87631        -0.131759      0.264701      0.043712
     20.34851      3.98991      7.13404        -0.096573     -0.074840     -0.017602
     20.23445      0.06697      5.32309        -0.165850      0.471824     -0.009827
     19.15699      1.83612      4.17878        -0.191745     -0.298567     -0.342205
     20.40973      5.41249      7.62524        -0.197296      0.019216     -0.015729
     20.02465      6.46273      6.76417        -0.027997      0.132192      0.218075
     20.30294      7.79243      7.09361        -0.133866     -0.207954      0.010974
     -0.35811      5.78934      8.90012        -0.135012     -0.129658     -0.102776
      0.01112      7.10647      9.19206         0.075532      0.221909      0.073515
     20.99528      8.10686      8.25303        -0.113576     -0.170142      0.011130
      0.04250      9.54959      8.21590         0.879202      1.071962      1.112172
     20.01285      9.05992      6.36245        -0.710538     -0.090663     -0.842663
     20.43762     11.51815      6.81443        -0.012950      0.496406     -0.025952
     19.53935     11.93171      5.83174        -0.282175      0.018308     -0.301977
     19.21902     13.27627      5.63395         0.036297      0.053712     -0.007789
     21.03828     12.58372      7.52020        -0.014874     -0.119406      0.012296
     20.75956     13.94999      7.26179         0.310027     -0.109606      0.159173
     19.78219     14.39285      6.29354         0.085774      0.021276      0.034974
     19.28126     15.82811      6.00591         0.065451     -0.096387     -0.033245
     18.45939     16.27789      4.91344        -0.220833      0.114410     -0.259032
     17.93087     17.59580      4.85784         0.043719     -0.133244     -0.103492
     19.53604     16.89180      6.90885        -0.086100      0.127396     -0.025542
     18.93013     18.15143      6.91320        -0.000226      0.071936      0.075517
     18.04868     18.53564      5.89570         0.093737     -0.005924     -0.068201
     17.88637     15.39727      3.79585         0.078300      0.136501     -0.089030
      0.44432     14.85490      8.03623         0.343242     -0.047457      0.053434
     12.66591      5.22766      4.07321        -0.025049      0.085698      0.043546
     13.11529      3.75913     20.56371         0.039180      0.065687     -0.040660
     12.91115      6.14140     21.11057         0.081514      0.047878     -0.169197
     12.77039      7.44279      4.41731        -0.025940     -0.226992      0.141883
     13.17073      7.89101      0.13040         0.073916      0.101608     -0.013829
     13.52681     10.30353      0.38907         0.011547     -0.094591      0.117825
     13.21185     13.49567      8.59533         0.000027     -0.184450      0.255322
     13.24898     11.59836      7.13233        -0.092764      0.257232      0.088510
     14.36108     14.14329      3.89641        -0.105779      0.010418      0.084087
     12.94113     17.16294     11.43813        -0.014197     -0.035528      0.092153
     14.98256     17.55868      7.05514         0.083499     -0.149225     -0.063089
     14.85612     19.48688      8.47081         0.231044     -0.159562     -0.249481
      9.94952      6.88164      3.23309        -0.125620      0.029705     -0.096667
      9.72592      3.51600      6.89853         0.146292      0.033372     -0.063499
      9.78707      5.88842      7.45400         0.191874     -0.019917      0.022854
     10.14776      8.84608      3.76183        -0.004667     -0.087915     -0.312525
      9.79456      7.70209      7.92816         0.035422      0.023101     -0.022422
      9.91051     10.06192      8.61040         0.125220     -0.072224     -0.144083
     12.18400     15.83557      2.45621        -0.050905     -0.059851     -0.133035
     11.38174     13.63537      2.96005         0.188949      0.184734     -0.086385
     10.34225     14.96057      6.88455         0.018843      0.042537     -0.177427
     13.24883     20.26395      1.15526        -0.002414      0.001008      0.068949
     11.59969     19.19738      5.57390        -0.060088      0.106044      0.299452
     12.05483      0.20089      5.07090        -0.192269     -0.134201      0.006985
     10.18542      9.16664     17.35612         0.016055      0.054710      0.117194
     10.36238      7.74943     12.56215         0.086570      0.078825      0.087877
     10.25382     10.11322     13.14398         0.085174      0.173988     -0.269955
     10.23600     11.39851     17.73180         0.118878     -0.181002      0.193322
     10.52295     11.95668     13.44671         0.063175     -0.080862     -0.125047
     10.76345     14.36740     13.75137         0.013477     -0.157409      0.024794
      9.43893     17.75543      0.37638         0.009167     -0.182364      0.063266
      9.91935     15.78642     20.36466        -0.197125      0.141311      0.088025
     11.46562     18.27831     17.25679         0.028039     -0.116606      0.083429
      9.01482      0.05447      3.33501        -0.096623      0.070991     -0.076543
     11.17383      0.63208     20.30472        -0.149746      0.070712     -0.103659
     10.43941      2.59287      0.22652         0.217363     -0.256113     -0.016186
      7.18152     10.70379     15.92522        -0.054275     -0.079852     -0.079016
      7.20904      7.30386     19.60435         0.163931      0.020529      0.000609
      7.25274      9.68595     20.14251         0.147529     -0.004760     -0.033588
      7.43514     12.76706     16.49380        -0.088191     -0.047660     -0.107915
      7.09491     11.45033     20.62056         0.099507      0.000957     -0.023917
      7.19613     13.75384      0.12948         0.072900     -0.071485     -0.136524
      9.29325     19.93940     15.87049         0.116001     -0.169332     -0.185513
      8.61935     17.67419     16.17055         0.153251      0.068063     -0.069100
      6.73118     18.83030     19.84873        -0.006402      0.056004     -0.481114
     10.05790      2.84384     14.33305         0.053437      0.336692      0.448521
      8.23438      1.97733     18.78128         0.076833      0.176504     -0.061296
      9.09127      4.16535     18.29319        -0.166976      0.201352      0.422677
      6.80529     12.99556      8.79641        -0.034807      0.017627      0.046247
      7.45333     11.41956      4.08651        -0.118044      0.085430      0.010792
      7.65651     13.79554      4.62134        -0.170632      0.054224     -0.067453
      6.90988     15.17807      9.13494         0.003696     -0.033528      0.066901
      7.84437     15.55376      4.92648        -0.217310      0.056671     -0.095111
      7.85089     17.97301      5.09493        -0.062101     -0.033601      0.087543
      6.53515      0.32961     12.96918        -0.010991     -0.132743      0.098805
      6.84028     19.61604     11.70891        -0.025948      0.131250      0.127407
      8.42769      0.72475      8.52702         0.048328     -0.122591      0.189155
      6.29495      3.89185     15.89038        -0.140147     -0.050188      0.313185
      8.51099      4.46972     11.63823         0.039464      0.055695     -0.496789
      7.96774      6.41617     12.93588         0.215813     -0.290615     -0.155137
      3.61064     14.37206      8.98319         0.119505      0.134816     -0.210307
      4.61973     11.33468     12.80111         0.167048      0.044289     -0.043720
      4.70158     13.76305     13.13605         0.059259     -0.012411     -0.068367
      3.83685     16.43558      9.23079        -0.098302     -0.038735     -0.125543
      4.94243     15.61501     13.34528         0.047004      0.152396     -0.100035
      5.14877     18.01163     13.78320        -0.079822      0.041999     -0.088037
      5.50796      2.36004      7.48245         0.106312     -0.116597     -0.209232
      4.78196      0.19842      8.04588         0.109982      0.227897     -0.089541
      3.89117      1.60298     11.96423         0.036701     -0.007707     -0.142911
      7.13641      6.51534      6.04809        -0.072818     -0.040964      0.155495
      5.54682      5.86313     10.57213         0.067360      0.142202      0.332844
      6.10492      8.05616      9.88733        -0.096118     -0.078345      0.240528
      2.06094     16.41621      3.28429         0.056596     -0.063973      0.203865
      0.22796     14.82587     20.17955        -0.178347     -0.065469     -0.182248
      0.36233     17.18933     20.65225        -0.148225     -0.006557     -0.080206
      1.74918     18.73584      3.66732         0.010696     -0.001447      0.069777
      0.24741     18.85152     20.84920        -0.058459      0.005871      0.008802
     -0.03857     -0.00114     20.96461        -0.022217     -0.212973      0.238999
      2.49708      3.95318      6.99003         0.167836     -0.034192      0.014519
      2.29149      2.02686      5.77652         0.033767      0.187535      0.081888
      0.42743      4.25736      2.66995        -0.085271     -0.074983     -0.060810
      3.36391      7.60965      9.57561         0.105319      0.092038      0.165186
      1.65814      8.30404      5.07234         0.067260      0.007252     -0.176016
      2.44774     10.18548      6.33407        -0.030474     -0.116693     -0.232163
      3.56771     17.07511     20.68510        -0.016201     -0.010002     -0.050299
      5.86863     13.85316      2.47587         0.032907      0.080764      0.098689
      5.91303     16.23689      2.96398         0.070175      0.020852      0.133221
      3.52469     19.33854      0.23386         0.028131      0.046525     -0.113352
      6.01133     17.89665      3.47532        -0.122480      0.062240      0.035467
      6.31438     20.15807      4.31763        -0.271942     -0.108725     -0.163422
      1.97989      5.55883      0.45462         0.195486     -0.090522     -0.297151
      2.53337      3.29327      0.43962        -0.071254      0.105418     -0.043112
      5.11209      3.91355      3.77619         0.033289      0.212408     -0.214072
      1.01613     10.22299      0.29308        -0.206513      0.084050      0.000928
      4.65374      8.85678      3.15950        -0.126913     -0.095114     -0.275651
      3.83076     11.05413      3.35233         0.016654     -0.492317     -0.027199
     20.23843     19.49539     15.15046         0.055318      0.142942      0.234569
     16.58842     17.86131     12.15207         0.025223      0.033309      0.017720
     17.01945     20.27119     12.33931         0.050238     -0.056661      0.009503
     20.54427      0.34462     15.30526        -0.100601     -0.113606      0.156945
     17.01048      0.87323     12.82235        -0.009323     -0.046378     -0.008454
     17.03206      3.27857     13.26183         0.032289     -0.072916     -0.006800
      2.37257      6.66229     17.77867         0.458242     -0.160805      0.159882
      1.22474      4.67625     17.17082        -0.015713      0.222431     -0.115787
     18.96829      7.02660     16.44368         0.387427     -0.144736      0.149827
      4.61408     10.05565     19.95507        -0.025760      0.278927     -0.063166
      0.10617     10.71112     18.29234        -0.277746      0.164728     -0.149805
      1.29773     12.59406     19.15731        -0.412789      0.099880     -0.132309
      0.74298     21.18854     13.11325        -0.130802      0.188384     -0.187250
      3.52171     17.88676     15.58198        -0.012968     -0.078269      0.149997
      3.81446     20.29863     15.99834         0.023790     -0.078326      0.209061
      1.04747      1.93577     13.42353        -0.154732     -0.122058     -0.194928
      3.64804      0.89738     16.73496        -0.035791      0.016703      0.006576
      4.26193      3.24019     17.02778        -0.268392      0.033828     -0.042408
     20.02791      8.87308     13.80322        -0.156132      0.041750     -0.057292
     21.04778      6.73008     13.55351        -0.195949      0.393710      0.182098
      3.37728      8.25291     15.27578        -0.013016      0.000374     -0.015477
     17.99929     13.13302     13.75594        -0.101811     -0.038398      0.130184
      1.33589     12.49766     15.13626         0.042332      0.091231      0.182237
      0.35891     14.65552     15.41879         0.077072     -0.269432     -0.151485
     17.60739      2.53544      7.46483        -0.067131     -0.034658      0.116787
     14.76146      0.97362      3.67033         0.103527      0.068002     -0.034833
     14.83503      3.36302      4.25021         0.060143      0.036818     -0.076887
     17.74934      4.71207      7.69555        -0.072409     -0.037208      0.267542
     14.77313      5.13010      4.58285         0.089061      0.004751     -0.012102
     14.77350      7.55487      4.87083         0.221053     -0.144798     -0.006936
     20.27381     10.95912     10.75295        -0.056920     -0.171506      0.077198
     19.18304      9.02685      9.86490         0.127229      0.129108      0.099438
     16.52503     11.59649      7.74048        -0.052271     -0.039351      0.151240
      1.37018     14.42297     12.50159         0.194920      0.048376      0.103628
     18.24627     15.10210     10.54227         0.045307      0.074264     -0.050881
     19.55466     17.04624     11.20098        -0.171798     -0.323874      0.130986
     19.39929      4.45216      5.19995        -0.138217      0.132681     -0.031378
      0.05752      0.76484      7.97714         0.057304      0.042154      0.021825
     -0.00950      3.05842      8.87813        -0.012287     -0.008863      0.029166
     19.55772      6.24119      5.81685        -0.185170      0.017458      0.014661
     -0.19789      5.02290      9.65778         0.035245      0.108922      0.020772
      0.57222      7.32548     10.10675        -0.314429      0.050393      0.021957
     18.43578     13.43184      4.91885        -0.103066     -0.055502     -0.120289
     19.05233     11.16996      5.22731        -0.135438      0.207447     -0.063511
      0.48633     12.35100      8.31009        -0.018887      0.000314     -0.201491
     17.28461     17.83355      4.02267         0.035118      0.046927     -0.096553
     20.23743     16.75356      7.70654        -0.006927     -0.081235      0.225665
     19.14272     18.86011      7.71083         0.160103     -0.182527      0.087252
     13.88735     19.27681     10.77382         0.047523      0.157574     -0.084705
     19.07698     21.04062      3.54384        -0.039060     -0.132259     -0.280194
     12.78653      1.21327      2.63555         0.079339     -0.176203      0.028375
     13.64841     11.55558      4.47436         0.025723      0.408346     -0.407256
      9.51865      2.62281      2.80548         0.112707      0.063083      0.253498
     10.47670     12.73584      5.34091         0.110328      0.220695      0.226185
     10.02470      5.14301     15.90406        -0.004287     -0.831075      0.214553
     10.75089     15.64189     17.79872         0.023778      0.388071     -0.070555
      6.98186      6.42485     15.48474         0.146198     -0.063583     -0.227631
      7.32003     16.62755     18.28177         0.103886      0.255289      0.094203
      6.73422      8.92801      7.42463         0.053825     -0.050294     -0.058889
      7.57887     19.40386      9.09303        -0.095762      0.225660     -0.054767
      3.50619     10.16763      8.87581        -0.010456     -0.132996      0.019400
      4.15962     20.52691     10.50170        -0.016021     -0.193082      0.138917
      1.81253     12.28334      1.84694         0.031664     -0.363882     -0.109720
      1.20987      1.70281      3.35398        -0.135767     -0.077673     -0.262375
      3.72013     12.73433     20.29052        -0.366376     -0.360523     -0.145856
      4.31727      1.90604      2.05295        -0.051962      0.362591      0.147001
     19.16654     15.44716     14.52754        -0.217846     -0.280169     -0.246636
     20.02959      4.50850     16.01588        -0.203070      0.236327     -0.102460
      0.66735     16.97317     12.58302         0.198814     -0.112851      0.264355
      2.09331      5.90351     14.47078         0.199723      0.101986      0.113508
     17.35392     19.81170      5.89573         0.182632     -0.163360      0.120190
     17.22804      8.94438      8.03269        -0.023457     -0.054365     -0.136015
     19.45199      0.44964      4.20395         0.250072      0.389794      0.402599
     20.65119     10.12484      7.06219         0.152566     -0.192035      0.554737
     12.42120      2.27533      4.71515        -0.130120      0.118972      0.222887
     13.59710      1.02324      0.40305         0.093584     -0.404163     -0.392843
     13.25631      9.82151      6.03364        -0.112918     -0.084374     -0.020514
     13.86469     12.58835      2.32489         0.064719      0.310728     -0.007737
      9.62734      4.46141      1.32663         0.015269      0.148153     -0.331852
      9.28944      1.46741      4.87977         0.229278      0.600297     -0.353224
     10.35110     11.74184      3.20239         0.054054     -0.022201     -0.152572
     10.15441     12.91495      7.69739         0.014260      0.495035      0.502448
      9.93636      6.19301     18.00804        -0.132028     -0.063675      1.997248
     10.81680      4.90670     13.68440         0.934365     -2.003126     -2.471189
     10.53094     13.90661     19.39632        -0.004318     -0.039634      0.128913
     11.02693     16.63700     15.65437        -0.005668      0.306145      0.029306
      6.94091      8.30151     14.02927         0.121807      0.023498     -0.384816
      6.54688      5.29657     17.53687         0.191559     -0.360530      0.149113
      7.49660     15.74116     16.08885        -0.029014      0.102415     -0.440054
      7.06090     16.65010     20.63624        -0.044969      0.664452      0.798748
      6.69497     10.06144      9.51556         0.078248      0.042261      0.123128
      7.11041      8.68734      5.08729        -0.096836      0.058598      0.374999
      7.32695     17.69813     10.71910         0.072985      0.029590     -0.018115
      7.83221     20.36242      6.91414        -0.202437     -0.274508      0.484141
      3.12397     11.94957      7.37681         0.065386      0.077146     -0.120181
      3.87577      9.08563     10.97948         0.003710     -0.108087     -0.039592
      4.06185     19.37995      8.41170        -0.098905     -0.014477      0.685938
      4.30332     20.76005     12.85330         0.115017     -0.585812     -0.988348
      2.97070     13.35737      3.62593        -0.345006      0.035291     -0.254789
      0.19724     12.12580      0.07743         0.260200      0.049916      0.315260
      2.21911      0.18002      4.88103         0.009387     -0.117916     -0.113223
      0.11358      2.43856      1.37083         0.164376     -0.128398      0.242784
      2.98151     14.53134     18.91844        -0.348260      0.169640     -0.411069
      5.03764     11.68029      0.69700        -0.005831     -0.264032      0.063842
      3.15696      1.11614      0.13640        -0.024630      0.046597     -0.061318
      5.82214      1.78917      3.91322        -0.382894     -0.078718     -0.565560
     -0.51821     16.63090     15.82295        -0.036110      0.062750     -0.034551
     17.20618     15.11347     13.21174        -0.492322     -0.545782     -0.236784
      0.00960      2.73773     16.98329         0.175521     -0.012113      0.220982
     18.33927      5.56974     14.73058        -0.026935      0.142755      0.002845
     21.07928     18.84860     11.42895        -0.209275      0.063937     -0.140310
      2.16201     15.77207     13.99359         0.196194     -0.677121      0.293499
      0.48829      4.83124     13.09137        -0.706144      0.074858     -0.672319
      4.08524      6.08360     15.73876        -1.087027     -0.694982     -0.308629
     18.17960     20.80608      7.90640         0.207020     -0.068863      0.163928
     15.87835     19.57691      4.03640         0.067421     -0.255785     -0.165908
     18.12835      7.19622      9.38207        -0.156373      0.104225     -0.057580
     16.02670      9.94596      6.24290         0.231663     -0.255958      0.241896
     18.45144      2.40094      3.35090         0.253743     -0.167223      0.175602
     20.66658     20.20543      5.54313        -0.098535     -0.009163     -0.030851
     19.31042      9.17663      5.35548         0.327694     -0.052790      0.645201
      0.74824     10.17463      9.02358        -1.180549     -0.777813     -1.105462
     13.98086     17.49947      5.30006         0.054339     -0.117108      0.164235
     15.89781     16.51646      5.62814         0.090304      0.027720      0.137763
     14.76656     16.19437      3.78096         0.033145     -0.061545      0.005003
     11.95038     15.38241     11.48725         0.031893     -0.060329     -0.217917
     11.43576     14.60029      9.52748        -0.129262     -0.160073     -0.149525
     13.23931     13.89205     10.58828         0.071923     -0.029823     -0.105119
     11.93810     17.95495      7.26527        -0.075913      0.132454     -0.204593
      9.98925     18.49998      6.44486         0.091210     -0.039899     -0.039562
     10.18473     16.79871      7.79782         0.164833      0.163863     -0.338522
     13.18673     18.54456      0.09707         0.032497     -0.181714      0.180615
     14.09920     17.11122      1.45981        -0.000206     -0.050333      0.011151
     11.99983     16.89285      0.85911         0.245079      0.191226      0.143913
     10.76211      0.34923     18.39585         0.304819     -0.224224      0.134560
     12.75426     -0.39920     18.97163         0.006637      0.062395      0.064423
     11.83201     20.28558     17.07250         0.197350     -0.063572      0.123040
      8.66402     19.36570      3.56903        -0.075923     -0.083594     -0.230920
      7.77632     18.79487      1.64392        -0.176432     -0.176986     -0.323798
      9.66928     17.94023      2.31431        -0.052972      0.081572     -0.166156
      7.73322      0.79687     20.38892         0.041695      0.121547     -0.065302
      5.94845      1.02701     19.12167         0.174537     -0.069595     -0.097314
      6.08301     20.66917     20.59278         0.126936      0.209304     -0.373308
      9.82287      1.19717     13.27197         0.260131      0.041125      0.222638
     10.97818     21.24437     14.68886        -0.249255      0.132219     -0.071616
      8.92483     20.70388     14.12504         0.355240     -0.007977     -0.086047
      8.31524      4.05550      9.68905         0.152534      0.020145     -0.052568
     10.11038      3.08309     10.48282         0.068428      0.058432      0.332093
      9.35407      2.54946      8.51942         0.111724     -0.015623      0.279206
      6.04601      1.88711     16.15230        -0.016577      0.034363      0.223116
      5.03762      1.36832     14.28729         0.223925     -0.024302      0.006127
      6.90670      0.43984     14.83836        -0.161583      0.312508     -0.100497
      5.18394      5.06330     12.10964        -0.277318     -0.042681      0.023151
      3.09297      4.47761     11.79238         0.086308     -0.146423     -0.051320
      4.38896      3.28243     13.01698         0.148907      0.270185     -0.369849
      7.18549      4.50686      5.27002        -0.106620     -0.133037      0.024036
      7.34237      2.92945      6.74085        -0.018128      0.012809      0.183999
      5.36774      3.52373      5.99265         0.251629      0.075121      0.110883
     -0.53267      7.23434      4.47916        -0.117020      0.132510      0.240287
      1.16554      7.50311      3.21983        -0.164441     -0.211628     -0.023101
     -0.45693      6.10424      2.67316        -0.185226     -0.044858      0.029187
      3.26389      5.67736      9.83194        -0.133171     -0.122552     -0.072471
      1.84710      4.47453      8.77347        -0.088163      0.103189     -0.051226
      3.82532      4.77086      7.91262        -0.380683      0.104266      0.030014
      6.07843      6.98043      3.49839         0.065936     -0.039983      0.046079
      4.14900      7.46557      4.47703        -0.089958      0.159243      0.068161
      5.15193      5.72200      5.05434         0.017721     -0.356824      0.130895
      0.33224      8.58824     20.65397         0.014473     -0.314790     -0.175137
      1.90833      7.07570     -0.97426        -0.330910      0.134944      0.570324
      0.47889      6.88428      0.66401        -0.338139     -0.568141      0.092484
     19.40076      9.39606     18.98039         0.277049      0.081201      0.213954
     19.86461     10.34360     17.05368        -0.048655      0.058465     -0.057759
     18.32631      8.81841     17.20103        -0.145847     -0.003017     -0.134280
      4.86317      8.06314     19.95217         0.261808      0.264109      0.179193
      3.83491      6.65400     18.77857        -0.301324      0.408587      0.034043
      4.69596      8.31913     17.71689         0.346838     -0.034552     -0.011152
      3.38203     11.42923     14.47292        -0.084937      0.112132     -0.054922
      2.47961     11.61560     16.44188        -0.084794     -0.148412     -0.049440
      3.94220     10.06784     16.08175        -0.277318      0.279961     -0.312001
     17.34267     11.33537     13.12878         0.151771     -0.246147      0.065770
     18.89261      9.92610     12.54963        -0.062011      0.067564      0.181079
     18.01881      9.83093     14.56302         0.052707     -0.034000      0.011249
     16.23326     14.21402      9.84475         0.153307     -0.054292      0.098318
     17.81242     14.91438      8.48394         0.055835     -0.013280      0.058015
     16.23031     13.64916      7.73575         0.121978      0.001470     -0.006249
      1.75708     12.51303     12.51078        -0.133538      0.072248     -0.105026
      0.30895     11.03973     11.99380        -0.117251      0.222165     -0.265192
      1.35541     12.12431     10.40826        -0.089094     -0.064163      0.021350
      1.19838     15.63302      7.19519        -0.056597      0.064082     -0.084375
     21.13013     15.71092      8.94170         0.024174     -0.032985     -0.130175
      1.33902     14.15510      8.80697        -0.094881      0.256890     -0.410919
     17.22525     16.10939      2.83919         0.299895     -0.019162     -0.043447
     18.80670     14.64754      3.11797         0.345196      0.104415     -0.019715
     16.95844     14.49370      4.27812        -0.000866      0.049891     -0.100312
 -----------------------------------------------------------------------------------
    total drift:                               -0.002559      0.001079     -0.003734


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4565.8777056341 eV

  energy  without entropy=    -4566.0281025650  energy(sigma->0) =    -4565.92783794
 
 d Force = 0.1344553E+00[-0.444E-02, 0.273E+00]  d Energy = 0.1345963E+00-0.141E-03
 d Force = 0.5869185E+03[ 0.586E+03, 0.587E+03]  d Ewald  = 0.5869203E+03-0.180E-02


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   48(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3176
 total energy-change (2. order) : 0.7199935E+00  (-0.7719411E+02)
 number of electron    2497.9999992 magnetization 
 augmentation part      162.5590431 magnetization 

  free energy =  -0.456515770417E+04  energy without entropy=  -0.456530915093E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   48(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) :-0.1784258E+01  (-0.2104750E+01)
 number of electron    2497.9999993 magnetization 
 augmentation part      162.6748696 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8464
  0.8464

  free energy =  -0.456694196196E+04  energy without entropy=  -0.456709242710E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   48(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3712
 total energy-change (2. order) : 0.6168760E-01  (-0.3879000E-01)
 number of electron    2497.9999993 magnetization 
 augmentation part      162.6070206 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4127
  1.0850  1.7403

  free energy =  -0.456688027437E+04  energy without entropy=  -0.456703104182E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   48(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) :-0.2742432E-02  (-0.3216875E-01)
 number of electron    2497.9999993 magnetization 
 augmentation part      162.5181064 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2728
  2.1527  0.8826  0.7830

  free energy =  -0.456688301680E+04  energy without entropy=  -0.456703354197E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   48(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) :-0.2346360E-02  (-0.6668575E-02)
 number of electron    2497.9999993 magnetization 
 augmentation part      162.5394793 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3251
  2.3571  1.0194  1.0194  0.9046

  free energy =  -0.456688536316E+04  energy without entropy=  -0.456703617631E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   48(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) : 0.2553001E-02  (-0.3799497E-02)
 number of electron    2497.9999993 magnetization 
 augmentation part      162.5569027 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2638
  2.3868  0.9531  0.9531  1.0129  1.0129

  free energy =  -0.456688281016E+04  energy without entropy=  -0.456703333925E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   48(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) :-0.1823526E-03  (-0.5870599E-03)
 number of electron    2497.9999993 magnetization 
 augmentation part      162.5605425 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2525
  2.4253  0.9728  0.9728  1.2135  1.2135  0.7170

  free energy =  -0.456688299251E+04  energy without entropy=  -0.456703387109E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   48(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3568
 total energy-change (2. order) : 0.8821007E-04  (-0.1145651E-03)
 number of electron    2497.9999993 magnetization 
 augmentation part      162.5650336 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2197
  2.4639  1.0599  1.0599  1.2451  1.2451  0.8266  0.6373

  free energy =  -0.456688290430E+04  energy without entropy=  -0.456703354335E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   48(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) :-0.8249693E-04  (-0.6670597E-04)
 number of electron    2497.9999993 magnetization 
 augmentation part      162.5617149 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2304
  2.5083  1.0146  1.0146  1.3549  1.3549  0.9870  0.9870  0.6218

  free energy =  -0.456688298680E+04  energy without entropy=  -0.456703368480E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   48(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3568
 total energy-change (2. order) :-0.6805485E-04  (-0.9198525E-05)
 number of electron    2497.9999993 magnetization 
 augmentation part      162.5611668 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2355
  2.5926  1.7879  1.0510  1.0510  1.2945  0.9304  0.9304  0.8642  0.6173

  free energy =  -0.456688305485E+04  energy without entropy=  -0.456703376395E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   48(  11)  ---------------------------------------



 eigenvalue-minimisations  :  2984
 total energy-change (2. order) :-0.6471254E-04  (-0.3928793E-05)
 number of electron    2497.9999993 magnetization 
 augmentation part      162.5609364 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2341
  2.6193  1.9249  1.0279  1.0279  1.3099  0.9907  0.9907  0.9117  0.9117  0.6260

  free energy =  -0.456688311956E+04  energy without entropy=  -0.456703382069E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   48(  12)  ---------------------------------------



 eigenvalue-minimisations  :  2320
 total energy-change (2. order) :-0.5364584E-04  (-0.7043953E-06)
 number of electron    2497.9999993 magnetization 
 augmentation part      162.5611141 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2803
  2.6663  2.3176  1.3636  1.3636  1.0426  1.0426  0.9676  0.9676  0.8600  0.8600
  0.6322

  free energy =  -0.456688317321E+04  energy without entropy=  -0.456703388271E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   48(  13)  ---------------------------------------



 eigenvalue-minimisations  :  2376
 total energy-change (2. order) :-0.6532099E-04  (-0.8017513E-06)
 number of electron    2497.9999993 magnetization 
 augmentation part      162.5613204 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3079
  2.9961  2.5024  1.4350  1.4350  1.0368  1.0368  0.9857  0.9857  0.9411  0.9411
  0.7662  0.6332

  free energy =  -0.456688323853E+04  energy without entropy=  -0.456703394495E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   48(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2328
 total energy-change (2. order) :-0.3393120E-04  (-0.4721190E-06)
 number of electron    2497.9999993 magnetization 
 augmentation part      162.5612285 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3431
  3.4942  2.5538  1.5233  1.5233  1.0517  1.0517  1.1259  1.1259  0.9351  0.9351
  0.6335  0.7733  0.7337

  free energy =  -0.456688327246E+04  energy without entropy=  -0.456703397966E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   48(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2312
 total energy-change (2. order) :-0.2033939E-04  (-0.2640983E-06)
 number of electron    2497.9999993 magnetization 
 augmentation part      162.5611079 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3715
  3.9155  2.5812  1.7867  1.4585  1.0496  1.0496  1.1070  1.1070  0.9536  0.9536
  0.9479  0.9479  0.6336  0.7088

  free energy =  -0.456688329280E+04  energy without entropy=  -0.456703400097E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   48(  16)  ---------------------------------------



 eigenvalue-minimisations  :  2256
 total energy-change (2. order) :-0.8597155E-05  (-0.1100264E-06)
 number of electron    2497.9999993 magnetization 
 augmentation part      162.5611079 magnetization 

  free energy =  -0.456688330140E+04  energy without entropy=  -0.456703400877E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0627       2 -56.1749       3 -56.0935       4 -55.8236       5 -55.8324
       6 -56.3174       7 -58.1580       8 -58.2687       9 -56.3045      10 -55.9929
      11 -56.0601      12 -55.8327      13 -55.8282      14 -56.0195      15 -58.1016
      16 -58.1008      17 -56.3382      18 -54.9562      19 -54.8938      20 -55.1197
      21 -55.6327      22 -55.6486      23 -55.7122      24 -55.6088      25 -54.9182
      26 -54.8204      27 -54.9297      28 -54.8913      29 -60.3945      30 -60.3641
      31 -55.6609      32 -55.8474      33 -55.7428      34 -55.2911      35 -55.4985
      36 -55.9792      37 -57.8170      38 -58.0587      39 -56.0762      40 -55.7991
      41 -55.9212      42 -55.7125      43 -55.7478      44 -55.9080      45 -58.1150
      46 -58.1862      47 -56.4445      48 -55.1290      49 -54.9737      50 -55.2789
      51 -55.9056      52 -55.8645      53 -55.7440      54 -55.7057      55 -55.0653
      56 -54.8233      57 -54.9611      58 -56.3193      59 -60.3440      60 -60.6099
      61 -56.0332      62 -56.0956      63 -55.9691      64 -55.7941      65 -55.7648
      66 -56.2563      67 -58.1244      68 -58.1523      69 -56.2591      70 -55.9172
      71 -56.0303      72 -55.7411      73 -55.6866      74 -55.9283      75 -58.0761
      76 -58.1770      77 -56.4554      78 -55.0965      79 -54.9985      80 -55.2545
      81 -55.8290      82 -55.8530      83 -55.9085      84 -55.9182      85 -55.1633
      86 -55.0862      87 -55.2034      88 -56.4375      89 -60.7293      90 -60.4496
      91 -55.7275      92 -55.8535      93 -55.7534      94 -55.4837      95 -55.5585
      96 -56.0389      97 -57.8923      98 -58.0361      99 -56.1487     100 -55.9047
     101 -56.0268     102 -55.6639     103 -55.7169     104 -55.9467     105 -58.1324
     106 -58.2458     107 -56.4658     108 -55.1254     109 -54.9531     110 -55.3830
     111 -55.9503     112 -55.8493     113 -55.8157     114 -55.8115     115 -55.1503
     116 -54.9515     117 -55.0343     118 -56.3856     119 -60.4210     120 -60.6128
     121 -55.9342     122 -56.0062     123 -55.8754     124 -55.7461     125 -55.7622
     126 -56.1577     127 -58.0565     128 -58.1976     129 -56.0837     130 -55.7771
     131 -55.8818     132 -55.6416     133 -55.5809     134 -55.8173     135 -57.9364
     136 -57.9996     137 -56.4196     138 -55.0779     139 -54.9510     140 -55.2276
     141 -55.8204     142 -55.8490     143 -55.9511     144 -55.9320     145 -55.1845
     146 -55.1523     147 -55.2372     148 -56.4444     149 -60.6068     150 -60.5794
     151 -55.5753     152 -55.6310     153 -55.4762     154 -55.3020     155 -55.4123
     156 -55.8527     157 -57.8840     158 -57.8493     159 -55.9287     160 -55.6901
     161 -55.8548     162 -55.4789     163 -55.5434     164 -55.7677     165 -57.9797
     166 -58.1379     167 -56.4263     168 -55.0609     169 -54.8812     170 -55.2885
     171 -55.9392     172 -55.9049     173 -55.8026     174 -55.7312     175 -55.2858
     176 -54.7764     177 -54.9921     178 -56.4179     179 -60.4425     180 -60.6273
     181 -55.9427     182 -56.1349     183 -55.9697     184 -55.6956     185 -55.6959
     186 -56.2259     187 -58.0472     188 -58.2269     189 -56.2462     190 -55.8973
     191 -56.0422     192 -55.7619     193 -55.7305     194 -55.9621     195 -58.0871
     196 -58.2109     197 -56.4854     198 -55.0360     199 -54.9527     200 -55.2602
     201 -55.8752     202 -55.9413     203 -55.8750     204 -55.8197     205 -55.1086
     206 -55.2005     207 -55.1247     208 -56.4032     209 -60.7231     210 -60.5253
     211 -55.9544     212 -56.1108     213 -55.9642     214 -55.7254     215 -55.6904
     216 -56.2125     217 -58.0793     218 -58.2487     219 -56.1173     220 -55.8169
     221 -55.9205     222 -55.6002     223 -55.5102     224 -55.8171     225 -57.9756
     226 -58.1272     227 -56.5095     228 -55.1046     229 -55.0590     230 -55.2414
     231 -55.7507     232 -55.9518     233 -55.9564     234 -55.6840     235 -55.0243
     236 -55.1029     237 -55.1522     238 -56.4348     239 -60.3861     240 -60.3493
     241 -55.9579     242 -56.0055     243 -55.8853     244 -55.7427     245 -55.7707
     246 -56.1946     247 -58.0739     248 -58.1402     249 -56.1943     250 -55.8874
     251 -55.9860     252 -55.7451     253 -55.7248     254 -55.9114     255 -57.9768
     256 -58.0961     257 -56.3502     258 -55.0474     259 -54.8765     260 -55.1894
     261 -55.7739     262 -55.7902     263 -55.8619     264 -55.9446     265 -55.3437
     266 -54.9721     267 -55.1489     268 -56.4299     269 -60.6396     270 -60.3649
     271 -55.8872     272 -55.9665     273 -55.7847     274 -55.6853     275 -55.6603
     276 -56.0587     277 -58.0910     278 -58.1655     279 -55.9215     280 -55.6622
     281 -55.7496     282 -55.4931     283 -55.4532     284 -55.7595     285 -58.0081
     286 -58.0472     287 -56.3882     288 -54.9791     289 -54.9372     290 -55.2700
     291 -55.8774     292 -55.8535     293 -55.8247     294 -55.7776     295 -55.1165
     296 -54.9150     297 -55.0076     298 -56.3532     299 -60.3932     300 -60.5489
     301 -55.8746     302 -56.0194     303 -55.9107     304 -55.5894     305 -55.6287
     306 -56.1179     307 -58.0787     308 -58.2353     309 -56.1431     310 -55.8334
     311 -55.9813     312 -55.6943     313 -55.6548     314 -55.9029     315 -58.0274
     316 -58.0853     317 -56.4001     318 -55.0159     319 -54.8648     320 -55.2158
     321 -55.7879     322 -55.7592     323 -55.8948     324 -55.9039     325 -55.1678
     326 -55.1147     327 -55.2340     328 -56.4450     329 -60.6017     330 -60.4112
     331 -55.8079     332 -55.8226     333 -55.7185     334 -55.6283     335 -55.6175
     336 -56.0658     337 -57.9861     338 -57.9667     339 -55.9190     340 -55.5770
     341 -55.7244     342 -55.5499     343 -55.5455     344 -55.7427     345 -57.9754
     346 -57.9618     347 -56.3962     348 -54.9365     349 -54.9133     350 -55.2138
     351 -55.7855     352 -55.8026     353 -55.7725     354 -55.7371     355 -55.1866
     356 -54.8750     357 -54.9837     358 -56.3838     359 -60.4453     360 -60.5151
     361 -39.1401     362 -38.8158     363 -39.0101     364 -39.1221     365 -38.9744
     366 -38.7289     367 -38.1699     368 -37.9839     369 -38.0699     370 -38.1153
     371 -38.1912     372 -38.2414     373 -38.7913     374 -38.3138     375 -38.6718
     376 -38.8830     377 -38.8457     378 -38.7287     379 -38.1634     380 -38.1251
     381 -38.2029     382 -38.0458     383 -38.2717     384 -37.9820     385 -38.8594
     386 -38.7807     387 -38.8965     388 -38.8862     389 -38.8397     390 -38.5225
     391 -38.2905     392 -38.1535     393 -38.1830     394 -38.0947     395 -38.2455
     396 -38.2506     397 -38.7691     398 -38.4231     399 -38.7375     400 -38.8912
     401 -38.7257     402 -38.7403     403 -38.2296     404 -38.1563     405 -38.2822
     406 -38.1385     407 -38.0975     408 -38.0275     409 -38.7796     410 -38.7576
     411 -38.9881     412 -38.7055     413 -38.8774     414 -38.5738     415 -38.2707
     416 -38.1846     417 -38.0983     418 -38.1413     419 -38.3103     420 -38.3091
     421 -38.5436     422 -38.2558     423 -38.4923     424 -38.6636     425 -38.5341
     426 -38.6001     427 -38.2236     428 -38.0651     429 -38.2699     430 -38.2138
     431 -38.1437     432 -38.0309     433 -38.8032     434 -38.7702     435 -39.0234
     436 -38.7551     437 -38.9916     438 -38.6781     439 -38.4834     440 -38.0701
     441 -38.2457     442 -38.1772     443 -38.2298     444 -38.0837     445 -38.8603
     446 -38.7958     447 -38.9362     448 -38.7560     449 -38.7765     450 -38.3267
     451 -38.1532     452 -37.9154     453 -38.1339     454 -38.0083     455 -38.0265
     456 -38.0115     457 -38.9436     458 -38.6545     459 -38.8629     460 -38.8886
     461 -38.8485     462 -38.6401     463 -38.2627     464 -38.1872     465 -37.9885
     466 -38.4912     467 -38.1833     468 -38.1931     469 -38.9322     470 -38.7347
     471 -38.6968     472 -38.7857     473 -38.5163     474 -38.3371     475 -38.1464
     476 -37.9897     477 -38.1739     478 -38.0647     479 -38.1611     480 -37.9324
     481 -38.8599     482 -38.7438     483 -38.8795     484 -38.8620     485 -38.9163
     486 -38.7446     487 -38.2249     488 -38.1446     489 -38.1449     490 -38.2977
     491 -38.1922     492 -38.2445     493 -38.8709     494 -38.5987     495 -38.6775
     496 -38.7007     497 -38.5390     498 -38.4642     499 -38.1563     500 -37.9074
     501 -38.1472     502 -38.1367     503 -38.1566     504 -37.9581     505 -38.2702
     506 -41.1902     507 -71.6861     508 -71.6074     509 -71.4526     510 -71.6405
     511 -71.5606     512 -71.6339     513 -71.4305     514 -71.6453     515 -71.5910
     516 -71.4576     517 -71.3770     518 -71.4534     519 -71.5672     520 -71.6781
     521 -71.4904     522 -71.5140     523 -71.5707     524 -71.5146     525 -71.6391
     526 -71.4481     527 -71.6140     528 -71.5258     529 -71.2298     530 -71.5366
     531 -76.9341     532 -76.7886     533 -76.7510     534 -76.7224     535 -76.7145
     536 -76.4830     537 -76.8955     538 -76.7594     539 -76.7101     540 -76.7292
     541 -76.7930     542 -76.6932     543 -76.7148     544 -76.5519     545 -76.9289
     546 -76.7863     547 -76.8436     548 -76.7276     549 -76.6140     550 -76.5791
     551 -76.5194     552 -76.5606     553 -76.8795     554 -76.7257     555 -76.7734
     556 -76.7856     557 -76.8501     558 -76.7429     559 -76.8590     560 -76.7408
     561 -76.7607     562 -76.6124     563 -76.8117     564 -76.6963     565 -76.7605
     566 -76.5894     567 -76.7943     568 -76.7342     569 -76.7865     570 -76.6722
     571 -76.8961     572 -76.7366     573 -76.7082     574 -76.6883     575 -76.5889
     576 -76.5989     577 -76.6266     578 -76.5695     579 -82.2583     580 -82.3931
     581 -82.3884     582 -82.2634     583 -82.3103     584 -82.3027     585 -82.5017
     586 -82.5577     587 -82.4681     588 -82.1976     589 -82.1674     590 -82.3466
     591 -82.3746     592 -82.2778     593 -82.4174     594 -82.6168     595 -82.6989
     596 -82.6651     597 -82.5627     598 -82.4749     599 -82.5222     600 -82.3453
     601 -82.1379     602 -82.1750     603 -82.5833     604 -82.4405     605 -82.6101
     606 -82.3898     607 -82.3874     608 -82.5697     609 -82.6860     610 -82.3449
     611 -82.4760     612 -82.4017     613 -82.3159     614 -82.2837     615 -82.6130
     616 -82.4236     617 -82.4109     618 -82.7103     619 -82.8850     620 -82.6534
     621 -82.2316     622 -82.2983     623 -82.4756     624 -82.2256     625 -82.5018
     626 -82.2829     627 -82.1305     628 -82.3081     629 -82.3124     630 -82.4764
     631 -82.5197     632 -82.5185     633 -82.4383     634 -82.5136     635 -82.3917
     636 -82.2716     637 -82.3783     638 -82.2304     639 -82.2734     640 -82.3157
     641 -82.3698     642 -82.3830     643 -82.5418     644 -82.4943     645 -82.4037
     646 -82.4716     647 -82.4847     648 -82.3393     649 -82.3448     650 -82.2790
 
 
 
 E-fermi :  -1.4620     XC(G=0):  -6.4789     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.2441      2.00000
      2     -29.0021      2.00000
      3     -28.9997      2.00000
      4     -28.9481      2.00000
      5     -28.9298      2.00000
      6     -28.9266      2.00000
      7     -28.8955      2.00000
      8     -28.8827      2.00000
      9     -28.8765      2.00000
     10     -28.8615      2.00000
     11     -28.8310      2.00000
     12     -28.8232      2.00000
     13     -28.8196      2.00000
     14     -28.7975      2.00000
     15     -28.7390      2.00000
     16     -28.7110      2.00000
     17     -28.6849      2.00000
     18     -28.6746      2.00000
     19     -28.6392      2.00000
     20     -28.6270      2.00000
     21     -28.6022      2.00000
     22     -28.5846      2.00000
     23     -28.5844      2.00000
     24     -28.5162      2.00000
     25     -26.9207      2.00000
     26     -26.8687      2.00000
     27     -26.7788      2.00000
     28     -26.7417      2.00000
     29     -26.6915      2.00000
     30     -26.6729      2.00000
     31     -26.6397      2.00000
     32     -26.6339      2.00000
     33     -26.6080      2.00000
     34     -26.5944      2.00000
     35     -26.5782      2.00000
     36     -26.5744      2.00000
     37     -26.5656      2.00000
     38     -26.5573      2.00000
     39     -26.5556      2.00000
     40     -26.5312      2.00000
     41     -26.5283      2.00000
     42     -26.5207      2.00000
     43     -26.5008      2.00000
     44     -26.4940      2.00000
     45     -26.4936      2.00000
     46     -26.4691      2.00000
     47     -26.4559      2.00000
     48     -26.4437      2.00000
     49     -26.4336      2.00000
     50     -26.4316      2.00000
     51     -26.4133      2.00000
     52     -26.4035      2.00000
     53     -26.3948      2.00000
     54     -26.3916      2.00000
     55     -26.3826      2.00000
     56     -26.3819      2.00000
     57     -26.3796      2.00000
     58     -26.3771      2.00000
     59     -26.3744      2.00000
     60     -26.3608      2.00000
     61     -26.3526      2.00000
     62     -26.3364      2.00000
     63     -26.3307      2.00000
     64     -26.3130      2.00000
     65     -26.2985      2.00000
     66     -26.2942      2.00000
     67     -26.2780      2.00000
     68     -26.2523      2.00000
     69     -26.2200      2.00000
     70     -26.2188      2.00000
     71     -26.2062      2.00000
     72     -26.1400      2.00000
     73     -23.2835      2.00000
     74     -23.2503      2.00000
     75     -23.2168      2.00000
     76     -23.1967      2.00000
     77     -23.1361      2.00000
     78     -23.1290      2.00000
     79     -23.1244      2.00000
     80     -23.0957      2.00000
     81     -23.0880      2.00000
     82     -23.0638      2.00000
     83     -23.0587      2.00000
     84     -23.0546      2.00000
     85     -23.0464      2.00000
     86     -23.0426      2.00000
     87     -23.0357      2.00000
     88     -22.9947      2.00000
     89     -22.9599      2.00000
     90     -22.9562      2.00000
     91     -22.9536      2.00000
     92     -22.9388      2.00000
     93     -22.9081      2.00000
     94     -22.8980      2.00000
     95     -22.8842      2.00000
     96     -22.8572      2.00000
     97     -22.8364      2.00000
     98     -22.7300      2.00000
     99     -22.7149      2.00000
    100     -22.6660      2.00000
    101     -22.6627      2.00000
    102     -22.6563      2.00000
    103     -22.6499      2.00000
    104     -22.6387      2.00000
    105     -22.6111      2.00000
    106     -22.6090      2.00000
    107     -22.6018      2.00000
    108     -22.5882      2.00000
    109     -22.5830      2.00000
    110     -22.5753      2.00000
    111     -22.5413      2.00000
    112     -22.5332      2.00000
    113     -22.5256      2.00000
    114     -22.5228      2.00000
    115     -22.4962      2.00000
    116     -22.4584      2.00000
    117     -22.4546      2.00000
    118     -22.4412      2.00000
    119     -22.4233      2.00000
    120     -22.3996      2.00000
    121     -20.4755      2.00000
    122     -20.4440      2.00000
    123     -20.4286      2.00000
    124     -20.4107      2.00000
    125     -20.3879      2.00000
    126     -20.3278      2.00000
    127     -20.3222      2.00000
    128     -20.3210      2.00000
    129     -20.2919      2.00000
    130     -20.2785      2.00000
    131     -20.2740      2.00000
    132     -20.2541      2.00000
    133     -20.2530      2.00000
    134     -20.2489      2.00000
    135     -20.2433      2.00000
    136     -20.2294      2.00000
    137     -20.2106      2.00000
    138     -20.1542      2.00000
    139     -20.1520      2.00000
    140     -20.1282      2.00000
    141     -20.1016      2.00000
    142     -20.0968      2.00000
    143     -20.0627      2.00000
    144     -20.0615      2.00000
    145     -18.7070      2.00000
    146     -18.5778      2.00000
    147     -18.5269      2.00000
    148     -18.5250      2.00000
    149     -18.5227      2.00000
    150     -18.5174      2.00000
    151     -18.4786      2.00000
    152     -18.4636      2.00000
    153     -18.4561      2.00000
    154     -18.4413      2.00000
    155     -18.3766      2.00000
    156     -18.3744      2.00000
    157     -18.3383      2.00000
    158     -18.2717      2.00000
    159     -18.2346      2.00000
    160     -18.2331      2.00000
    161     -18.2160      2.00000
    162     -18.2121      2.00000
    163     -18.1743      2.00000
    164     -18.1632      2.00000
    165     -18.1555      2.00000
    166     -18.1532      2.00000
    167     -18.0949      2.00000
    168     -18.0693      2.00000
    169     -17.9299      2.00000
    170     -17.9054      2.00000
    171     -17.9006      2.00000
    172     -17.8839      2.00000
    173     -17.8386      2.00000
    174     -17.8194      2.00000
    175     -17.7987      2.00000
    176     -17.7821      2.00000
    177     -17.7621      2.00000
    178     -17.7407      2.00000
    179     -17.7194      2.00000
    180     -17.6855      2.00000
    181     -17.6063      2.00000
    182     -17.5621      2.00000
    183     -17.5449      2.00000
    184     -17.5348      2.00000
    185     -17.5121      2.00000
    186     -17.4807      2.00000
    187     -17.4797      2.00000
    188     -17.4688      2.00000
    189     -17.4684      2.00000
    190     -17.4575      2.00000
    191     -17.4527      2.00000
    192     -17.4391      2.00000
    193     -16.8014      2.00000
    194     -16.7363      2.00000
    195     -16.7122      2.00000
    196     -16.7059      2.00000
    197     -16.6607      2.00000
    198     -16.6523      2.00000
    199     -16.6263      2.00000
    200     -16.5700      2.00000
    201     -16.5547      2.00000
    202     -16.5256      2.00000
    203     -16.5030      2.00000
    204     -16.4894      2.00000
    205     -16.1879      2.00000
    206     -16.1557      2.00000
    207     -16.1297      2.00000
    208     -16.1194      2.00000
    209     -16.0877      2.00000
    210     -16.0627      2.00000
    211     -16.0327      2.00000
    212     -15.9824      2.00000
    213     -15.9768      2.00000
    214     -15.9338      2.00000
    215     -15.8942      2.00000
    216     -15.8003      2.00000
    217     -15.7839      2.00000
    218     -15.6692      2.00000
    219     -15.6522      2.00000
    220     -15.6444      2.00000
    221     -15.6263      2.00000
    222     -15.6140      2.00000
    223     -15.6070      2.00000
    224     -15.5723      2.00000
    225     -15.5641      2.00000
    226     -15.5336      2.00000
    227     -15.5203      2.00000
    228     -15.4952      2.00000
    229     -15.4626      2.00000
    230     -15.4461      2.00000
    231     -15.4379      2.00000
    232     -15.4239      2.00000
    233     -15.4200      2.00000
    234     -15.4106      2.00000
    235     -15.4070      2.00000
    236     -15.4030      2.00000
    237     -15.3813      2.00000
    238     -15.3744      2.00000
    239     -15.3647      2.00000
    240     -15.3445      2.00000
    241     -15.3388      2.00000
    242     -15.3256      2.00000
    243     -15.3094      2.00000
    244     -15.3047      2.00000
    245     -15.2988      2.00000
    246     -15.2888      2.00000
    247     -15.2726      2.00000
    248     -15.2672      2.00000
    249     -15.2651      2.00000
    250     -15.2525      2.00000
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   1384       3.9830      0.00000
   1385       3.9992      0.00000
   1386       4.0058      0.00000
   1387       4.0229      0.00000
   1388       4.0332      0.00000
   1389       4.0486      0.00000
   1390       4.0564      0.00000
   1391       4.0763      0.00000
   1392       4.0854      0.00000
   1393       4.0974      0.00000
   1394       4.1017      0.00000
   1395       4.1204      0.00000
   1396       4.1259      0.00000
   1397       4.1333      0.00000
   1398       4.1460      0.00000
   1399       4.1681      0.00000
   1400       4.1839      0.00000
   1401       4.1994      0.00000
   1402       4.2146      0.00000
   1403       4.2376      0.00000
   1404       4.2419      0.00000
   1405       4.2546      0.00000
   1406       4.2650      0.00000
   1407       4.2767      0.00000
   1408       4.2840      0.00000
   1409       4.3030      0.00000
   1410       4.3198      0.00000
   1411       4.3245      0.00000
   1412       4.3365      0.00000
   1413       4.3488      0.00000
   1414       4.3774      0.00000
   1415       4.3984      0.00000
   1416       4.3998      0.00000
   1417       4.4093      0.00000
   1418       4.4196      0.00000
   1419       4.4385      0.00000
   1420       4.4575      0.00000
   1421       4.4627      0.00000
   1422       4.4811      0.00000
   1423       4.4895      0.00000
   1424       4.5003      0.00000
   1425       4.5371      0.00000
   1426       4.5562      0.00000
   1427       4.5739      0.00000
   1428       4.5909      0.00000
   1429       4.5922      0.00000
   1430       4.6342      0.00000
   1431       4.6485      0.00000
   1432       4.6747      0.00000
   1433       4.6909      0.00000
   1434       4.7065      0.00000
   1435       4.7557      0.00000
   1436       4.7889      0.00000
   1437       4.7980      0.00000
   1438       4.8174      0.00000
   1439       4.8392      0.00000
   1440       4.8528      0.00000
   1441       4.8651      0.00000
   1442       4.8825      0.00000
   1443       4.8966      0.00000
   1444       4.9318      0.00000
   1445       4.9482      0.00000
   1446       4.9603      0.00000
   1447       4.9733      0.00000
   1448       4.9873      0.00000
   1449       5.0019      0.00000
   1450       5.0179      0.00000
   1451       5.0249      0.00000
   1452       5.0385      0.00000
   1453       5.0668      0.00000
   1454       5.0856      0.00000
   1455       5.0953      0.00000
   1456       5.1132      0.00000
   1457       5.1251      0.00000
   1458       5.1355      0.00000
   1459       5.1400      0.00000
   1460       5.1561      0.00000
   1461       5.1726      0.00000
   1462       5.2133      0.00000
   1463       5.2177      0.00000
   1464       5.2243      0.00000
   1465       5.2364      0.00000
   1466       5.2444      0.00000
   1467       5.2534      0.00000
   1468       5.2642      0.00000
   1469       5.2763      0.00000
   1470       5.2841      0.00000
   1471       5.2981      0.00000
   1472       5.3169      0.00000
   1473       5.3213      0.00000
   1474       5.3435      0.00000
   1475       5.3499      0.00000
   1476       5.3635      0.00000
   1477       5.3701      0.00000
   1478       5.3795      0.00000
   1479       5.3916      0.00000
   1480       5.3991      0.00000
   1481       5.4025      0.00000
   1482       5.4051      0.00000
   1483       5.4195      0.00000
   1484       5.4335      0.00000
   1485       5.4470      0.00000
   1486       5.4539      0.00000
   1487       5.4636      0.00000
   1488       5.4688      0.00000
   1489       5.4743      0.00000
   1490       5.4860      0.00000
   1491       5.4904      0.00000
   1492       5.5089      0.00000
   1493       5.5213      0.00000
   1494       5.5251      0.00000
   1495       5.5304      0.00000
   1496       5.5454      0.00000
   1497       5.5604      0.00000
   1498       5.5622      0.00000
   1499       5.5658      0.00000
   1500       5.5768      0.00000
   1501       5.5842      0.00000
   1502       5.6006      0.00000
   1503       5.6097      0.00000
   1504       5.6182      0.00000
   1505       5.6361      0.00000
   1506       5.6467      0.00000
   1507       5.6529      0.00000
   1508       5.6615      0.00000
   1509       5.6725      0.00000
   1510       5.6856      0.00000
   1511       5.6892      0.00000
   1512       5.6934      0.00000
   1513       5.6950      0.00000
   1514       5.7092      0.00000
   1515       5.7183      0.00000
   1516       5.7331      0.00000
   1517       5.7478      0.00000
   1518       5.7537      0.00000
   1519       5.7707      0.00000
   1520       5.7826      0.00000
   1521       5.7849      0.00000
   1522       5.7963      0.00000
   1523       5.8052      0.00000
   1524       5.8113      0.00000
   1525       5.8224      0.00000
   1526       5.8338      0.00000
   1527       5.8400      0.00000
   1528       5.8591      0.00000
   1529       5.8645      0.00000
   1530       5.8755      0.00000
   1531       5.8874      0.00000
   1532       5.8989      0.00000
   1533       5.9090      0.00000
   1534       5.9172      0.00000
   1535       5.9238      0.00000
   1536       5.9323      0.00000
   1537       5.9360      0.00000
   1538       5.9487      0.00000
   1539       5.9535      0.00000
   1540       5.9655      0.00000
   1541       5.9771      0.00000
   1542       5.9822      0.00000
   1543       5.9934      0.00000
   1544       5.9968      0.00000
   1545       6.0137      0.00000
   1546       6.0195      0.00000
   1547       6.0276      0.00000
   1548       6.0286      0.00000
   1549       6.0356      0.00000
   1550       6.0451      0.00000
   1551       6.0613      0.00000
   1552       6.0615      0.00000
   1553       6.0801      0.00000
   1554       6.0888      0.00000
   1555       6.0950      0.00000
   1556       6.1070      0.00000
   1557       6.1204      0.00000
   1558       6.1266      0.00000
   1559       6.1419      0.00000
   1560       6.1484      0.00000
   1561       6.1511      0.00000
   1562       6.1644      0.00000
   1563       6.1687      0.00000
   1564       6.1742      0.00000
   1565       6.1853      0.00000
   1566       6.1913      0.00000
   1567       6.2005      0.00000
   1568       6.2072      0.00000
   1569       6.2153      0.00000
   1570       6.2193      0.00000
   1571       6.2354      0.00000
   1572       6.2391      0.00000
   1573       6.2539      0.00000
   1574       6.2620      0.00000
   1575       6.2664      0.00000
   1576       6.2698      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.089  13.414  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.414  17.834  -0.001   0.002  -0.000   0.003  -0.005   0.000
 -0.001  -0.001  -4.234   0.003   0.001   8.281  -0.004  -0.001
  0.001   0.002   0.003  -4.234   0.001  -0.004   8.280  -0.001
 -0.000  -0.000   0.001   0.001  -4.227  -0.001  -0.001   8.272
  0.002   0.003   8.281  -0.004  -0.001 -18.327   0.007   0.002
 -0.004  -0.005  -0.004   8.280  -0.001   0.007 -18.323  -0.000
  0.000   0.000  -0.001  -0.001   8.272   0.002  -0.000 -18.317
 total augmentation occupancy for first ion, spin component:           1
  8.487  -3.825   0.168   0.123  -0.041   0.021   0.023  -0.007
 -3.825   1.798  -0.085  -0.085   0.024  -0.009  -0.014   0.004
  0.168  -0.085   1.787  -0.065  -0.040   0.169  -0.011  -0.008
  0.123  -0.085  -0.065   1.904  -0.076  -0.011   0.178  -0.010
 -0.041   0.024  -0.040  -0.076   1.221  -0.008  -0.010   0.080
  0.021  -0.009   0.169  -0.011  -0.008   0.018  -0.002  -0.001
  0.023  -0.014  -0.011   0.178  -0.010  -0.002   0.018  -0.001
 -0.007   0.004  -0.008  -0.010   0.080  -0.001  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -51869.13851 98324.54626 26418.29188-11708.88685  6761.93397 21412.42545
  Hartree  3612.27839125212.08667 64564.23336-12060.37630  4714.49670 15817.65798
  E(xc)  -10732.78884-10586.35896-10629.77723     2.61414     8.09325    31.86783
  Local   14837.77733************************ 23757.20199-11501.23675-36659.69235
  n-local -5845.31442 -5970.92689 -6030.46238     3.61549    16.83049   -61.67395
  augment  1493.05985  1536.00556  1486.89787     5.55086    13.14145    -2.38058
  Kinetic 45511.60998 43192.82170 43683.64282   -20.11496   -71.99092  -549.40560
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -84.6575037   -445.8892930   -144.1744218    -20.3956217    -58.7318025    -11.2012228
  in kB      -14.1173164    -74.3556087    -24.0422389     -3.4011332     -9.7939982     -1.8678936
  external PRESSURE =     -37.5050546 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.245E+03 -.116E+03 0.249E+03   0.245E+03 0.116E+03 -.250E+03   -.103E+00 -.562E+00 0.136E+01   -.115E-03 -.172E-03 0.145E-05
   -.203E+03 -.140E+03 0.572E+02   0.203E+03 0.141E+03 -.568E+02   0.136E+00 -.131E+01 -.419E+00   -.596E-04 -.999E-04 0.637E-04
   -.172E+03 -.125E+03 0.275E+01   0.172E+03 0.127E+03 -.112E+01   0.331E+00 -.139E+01 -.164E+01   -.361E-04 -.284E-04 0.590E-04
   -.226E+03 -.102E+03 0.345E+03   0.227E+03 0.102E+03 -.347E+03   -.127E+00 0.780E-01 0.249E+01   -.150E-03 -.613E-04 -.742E-04
   -.177E+03 -.150E+03 0.307E+03   0.177E+03 0.151E+03 -.308E+03   0.132E+00 -.701E+00 0.112E+01   -.132E-03 0.523E-04 -.851E-04
   -.158E+03 -.113E+03 0.170E+03   0.158E+03 0.113E+03 -.170E+03   0.144E+00 -.471E-01 0.134E+00   -.780E-04 0.230E-04 0.147E-04
   -.247E+03 -.130E+03 0.187E+03   0.247E+03 0.134E+03 -.189E+03   0.694E+00 -.443E+01 0.953E+00   -.673E-04 -.232E-03 -.629E-04
   -.186E+03 -.120E+03 0.338E+02   0.186E+03 0.125E+03 -.358E+02   -.399E+00 -.415E+01 0.197E+01   -.331E-05 -.154E-03 0.359E-05
   -.117E+03 0.538E+01 0.198E+03   0.117E+03 -.534E+01 -.198E+03   -.124E-01 0.141E+00 0.113E+00   -.616E-04 0.621E-04 -.812E-06
   -.885E+02 0.877E+02 0.644E+02   0.880E+02 -.892E+02 -.633E+02   0.528E+00 0.154E+01 -.115E+01   -.160E-04 0.381E-04 0.940E-04
   -.991E+02 0.110E+03 0.139E+03   0.989E+02 -.111E+03 -.139E+03   0.265E+00 0.111E+01 0.481E-01   -.220E-04 0.454E-04 0.110E-03
   -.117E+03 0.814E+00 0.336E+03   0.117E+03 -.111E+01 -.337E+03   -.143E+00 0.262E+00 0.120E+01   -.109E-03 0.103E-03 -.179E-03
   -.118E+03 -.366E+02 0.368E+03   0.118E+03 0.376E+02 -.370E+03   0.663E-01 -.107E+01 0.222E+01   -.123E-03 0.867E-04 -.213E-03
   -.128E+03 0.292E+02 0.309E+03   0.129E+03 -.294E+02 -.310E+03   -.388E+00 0.116E+00 0.144E+01   -.736E-04 0.618E-04 0.106E-05
   -.119E+03 0.109E+03 0.275E+03   0.118E+03 -.112E+03 -.277E+03   0.633E+00 0.404E+01 0.223E+01   -.654E-04 0.262E-04 0.593E-04
   -.916E+02 0.122E+03 0.107E+03   0.913E+02 -.125E+03 -.111E+03   0.271E+00 0.308E+01 0.346E+01   -.108E-04 0.417E-04 0.146E-03
   -.856E+02 0.114E+03 0.604E+02   0.860E+02 -.110E+03 -.561E+02   -.412E+00 -.463E+01 -.400E+01   -.583E-04 -.661E-04 0.831E-04
   -.165E+02 0.203E+03 -.153E+03   0.158E+02 -.205E+03 0.156E+03   0.664E+00 0.182E+01 -.189E+01   -.803E-04 -.110E-03 0.112E-03
   0.195E+02 0.155E+03 -.202E+03   -.196E+02 -.155E+03 0.203E+03   0.248E+00 0.258E+00 -.200E+01   -.987E-04 -.124E-03 0.674E-04
   -.775E+02 0.119E+03 0.184E+03   0.785E+02 -.119E+03 -.187E+03   -.102E+01 -.889E+00 0.301E+01   -.707E-04 -.366E-04 0.794E-04
   -.959E+01 0.757E+02 -.464E+01   0.841E+01 -.773E+02 0.595E+01   0.115E+01 0.142E+01 -.126E+01   -.820E-04 -.208E-04 0.351E-04
   -.756E+01 0.138E+02 -.138E+03   0.760E+01 -.139E+02 0.139E+03   0.215E+00 0.312E+00 -.845E+00   -.818E-04 -.606E-04 -.444E-05
   -.508E+02 -.296E+02 -.179E+03   0.511E+02 0.298E+02 0.178E+03   -.334E+00 -.416E+00 0.681E+00   -.368E-04 -.277E-05 -.620E-04
   -.529E+02 -.658E+02 -.238E+03   0.541E+02 0.673E+02 0.237E+03   -.129E+01 -.174E+01 0.121E+01   -.106E-05 -.569E-04 -.849E-04
   -.311E+02 -.156E+03 -.349E+03   0.307E+02 0.156E+03 0.351E+03   0.328E+00 -.703E+00 -.176E+01   0.891E-04 0.400E-04 -.894E-04
   -.117E+03 -.166E+03 -.162E+03   0.118E+03 0.166E+03 0.160E+03   -.905E+00 -.241E+00 0.190E+01   -.159E-04 0.105E-03 -.371E-04
   -.968E+02 -.286E+03 -.195E+03   0.971E+02 0.287E+03 0.194E+03   -.272E+00 -.811E+00 0.691E+00   0.558E-04 0.113E-03 -.751E-04
   -.503E+02 -.266E+03 -.302E+03   0.504E+02 0.268E+03 0.303E+03   -.760E-01 -.135E+01 -.299E+00   0.117E-03 0.544E-04 -.876E-04
   -.559E+02 -.208E+02 -.227E+03   0.619E+02 0.287E+02 0.222E+03   -.602E+01 -.777E+01 0.500E+01   -.527E-05 -.206E-03 -.108E-03
   -.906E+01 0.511E+02 0.232E+02   0.360E+01 -.595E+02 -.181E+02   0.508E+01 0.851E+01 -.479E+01   -.192E-03 0.743E-04 -.158E-03
   -.220E+03 -.272E+02 -.411E+02   0.220E+03 0.274E+02 0.427E+02   -.282E+00 -.241E+00 -.155E+01   0.329E-04 -.638E-04 -.147E-04
   -.150E+03 -.151E+03 0.137E+03   0.150E+03 0.153E+03 -.136E+03   0.105E+00 -.142E+01 -.321E+00   0.331E-04 -.499E-04 0.270E-04
   -.164E+03 -.154E+03 0.181E+03   0.164E+03 0.156E+03 -.182E+03   0.633E-01 -.176E+01 0.981E+00   0.205E-04 0.230E-04 0.533E-04
   -.319E+03 0.742E+01 -.164E+03   0.319E+03 -.925E+01 0.167E+03   0.269E+00 0.196E+01 -.275E+01   -.375E-04 -.235E-04 -.964E-04
   -.304E+03 -.685E+02 -.190E+03   0.304E+03 0.686E+02 0.191E+03   0.189E+00 0.132E-01 -.131E+01   -.568E-04 0.572E-04 -.883E-04
   -.228E+03 -.704E+02 -.519E+01   0.228E+03 0.701E+02 0.529E+01   0.361E+00 0.103E+00 -.909E-01   0.454E-05 0.785E-04 0.201E-04
   -.127E+03 -.542E+02 -.698E+01   0.127E+03 0.578E+02 0.982E+01   -.927E+00 -.403E+01 -.272E+01   0.645E-04 -.870E-04 -.323E-04
   -.776E+02 -.145E+03 0.114E+03   0.780E+02 0.148E+03 -.110E+03   -.428E+00 -.315E+01 -.377E+01   0.436E-04 -.106E-03 -.151E-04
   -.202E+03 0.458E+02 -.146E+02   0.202E+03 -.460E+02 0.146E+02   0.991E-01 0.268E+00 -.977E-01   0.104E-04 0.119E-03 0.573E-04
   -.118E+03 0.579E+02 0.194E+03   0.118E+03 -.590E+02 -.195E+03   0.187E+00 0.124E+01 0.181E+01   0.794E-05 0.575E-04 0.916E-04
   -.823E+02 0.810E+02 0.107E+03   0.823E+02 -.824E+02 -.107E+03   0.159E+00 0.141E+01 0.350E+00   0.252E-04 0.278E-04 0.958E-04
   -.232E+03 0.859E+02 -.232E+03   0.232E+03 -.868E+02 0.233E+03   0.121E+00 0.891E+00 -.977E+00   0.807E-05 0.168E-03 0.455E-04
   -.193E+03 0.427E+02 -.305E+03   0.193E+03 -.429E+02 0.307E+03   -.330E-01 0.906E-01 -.219E+01   0.762E-04 0.126E-03 0.176E-03
   -.121E+03 0.607E+02 -.160E+03   0.122E+03 -.614E+02 0.162E+03   -.182E+00 0.922E+00 -.121E+01   0.699E-04 0.605E-04 0.160E-03
   -.675E+02 0.104E+03 -.104E+03   0.673E+02 -.108E+03 0.105E+03   0.488E-01 0.473E+01 -.597E+00   0.565E-04 0.277E-04 0.190E-03
   -.285E+02 0.899E+02 0.129E+03   0.280E+02 -.944E+02 -.127E+03   0.304E+00 0.441E+01 -.192E+01   0.199E-04 0.180E-04 0.960E-04
   0.222E+02 0.530E+02 0.966E+02   -.205E+02 -.472E+02 -.985E+02   -.176E+01 -.545E+01 0.192E+01   0.968E-05 -.222E-04 0.914E-04
   -.108E+02 0.131E+03 0.277E+03   0.118E+02 -.132E+03 -.279E+03   -.981E+00 0.124E+01 0.257E+01   -.651E-05 -.153E-04 0.689E-04
   -.402E+02 0.129E+03 0.241E+03   0.411E+02 -.128E+03 -.243E+03   -.999E+00 -.338E+00 0.195E+01   -.328E-04 0.302E-04 0.975E-04
   0.443E+02 0.759E+02 -.528E+02   -.453E+02 -.760E+02 0.559E+02   0.109E+01 0.288E+00 -.308E+01   0.140E-04 -.187E-04 0.479E-04
   0.546E+01 0.299E+02 0.279E+02   -.510E+01 -.310E+02 -.300E+02   -.488E+00 0.107E+01 0.212E+01   0.586E-05 0.469E-04 0.210E-04
   -.171E+02 0.155E+02 0.908E+02   0.176E+02 -.152E+02 -.917E+02   -.556E+00 -.138E+00 0.852E+00   -.143E-04 0.890E-04 0.730E-04
   -.841E+02 0.672E+01 0.421E+02   0.840E+02 -.689E+01 -.414E+02   0.846E-02 0.147E+00 -.640E+00   -.344E-05 0.134E-03 0.668E-04
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   -.258E+03 -.413E+03 -.140E+03   0.288E+03 0.454E+03 0.153E+03   -.302E+02 -.416E+02 -.131E+02   0.510E-04 0.111E-03 -.638E-05
   0.551E+03 -.133E+02 -.543E+02   -.600E+03 0.302E+02 0.502E+02   0.485E+02 -.171E+02 0.408E+01   0.729E-04 0.119E-03 -.472E-04
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   0.785E+03 0.168E+03 0.520E+03   -.817E+03 -.184E+03 -.561E+03   0.322E+02 0.164E+02 0.415E+02   0.561E-03 -.186E-05 0.459E-03
   0.117E+03 -.134E+03 -.413E+03   -.100E+03 0.143E+03 0.464E+03   -.170E+02 -.977E+01 -.512E+02   0.456E-04 0.669E-04 0.213E-04
   0.544E+03 0.434E+03 -.238E+03   -.581E+03 -.470E+03 0.246E+03   0.367E+02 0.362E+02 -.871E+01   0.888E-04 0.175E-03 0.174E-04
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   0.665E+02 -.390E+03 0.509E+02   -.954E+02 0.429E+03 -.298E+02   0.288E+02 -.386E+02 -.210E+02   -.540E-04 0.141E-03 0.168E-03
   -.934E+02 0.462E+02 0.401E+01   0.102E+03 -.761E+02 0.418E+02   -.892E+01 0.296E+02 -.459E+02   -.134E-03 0.121E-03 0.186E-03
   0.782E+03 -.171E+03 0.635E+02   -.819E+03 0.202E+03 -.861E+02   0.373E+02 -.310E+02 0.224E+02   0.253E-03 0.402E-03 -.243E-03
   0.183E+03 0.376E+03 0.170E+03   -.160E+03 -.403E+03 -.209E+03   -.231E+02 0.265E+02 0.388E+02   -.476E-05 0.336E-03 0.335E-04
   0.711E+03 0.303E+03 0.123E+03   -.743E+03 -.338E+03 -.964E+02   0.320E+02 0.346E+02 -.269E+02   0.568E-03 0.184E-03 0.182E-03
   0.700E+03 -.108E+03 -.464E+03   -.707E+03 0.117E+03 0.516E+03   0.689E+01 -.905E+01 -.519E+02   -.515E-04 0.377E-03 -.445E-03
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   -.183E+03 0.213E+03 0.633E+03   0.218E+03 -.241E+03 -.660E+03   -.350E+02 0.289E+02 0.268E+02   0.189E-03 0.109E-03 -.523E-04
   0.119E+03 0.406E+03 0.315E+03   -.154E+03 -.438E+03 -.298E+03   0.354E+02 0.319E+02 -.169E+02   -.634E-04 0.148E-04 0.798E-04
 -----------------------------------------------------------------------------------------------
   0.773E+01 -.420E+01 -.149E+02   -.181E-10 0.341E-12 0.620E-11   -.773E+01 0.420E+01 0.149E+02   -.368E-02 0.187E-02 0.180E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.03005      3.16174      1.37122         0.011097      0.101129     -0.034950
     12.83090      3.58398      2.68468        -0.097822     -0.055962     -0.034495
     12.79967      4.94783      3.02736         0.006445     -0.246660     -0.011988
     13.05395      4.08589      0.33740         0.105297      0.003650     -0.075801
     12.95514      5.43618      0.66488         0.015393      0.078995      0.063414
     12.91013      5.92033      1.99715         0.026324      0.052370     -0.048003
     13.17295      1.68535      1.32610         0.280843     -0.338196     -0.149674
     12.63840      2.34408      3.50961         0.099718     -0.032935     -0.085967
     13.02888      7.40326      2.23793        -0.077369      0.182552     -0.100796
     13.01500      8.00293      3.52267         0.023254      0.085650     -0.032986
     13.28814      9.36972      3.65382        -0.018353     -0.030815      0.003459
     13.20702      8.29098      1.13871        -0.014345     -0.037564      0.001898
     13.42086      9.66864      1.27485         0.060437     -0.068648     -0.160792
     13.50383     10.19866      2.56033        -0.156549     -0.084890     -0.155024
     13.70739     11.59506      3.02631         0.233032      0.778801     -0.140380
     13.38373     10.20429      4.88381         0.038949      0.005211      0.372359
     13.72697     12.68624      5.36169        -0.013791      0.175406      0.302024
     13.43375     12.58017      6.72628         0.012130     -0.042071      0.482499
     13.43276     13.69817      7.57988         0.121845     -0.212688     -0.338207
     14.06816     13.98036      4.94183         0.036046      0.028103     -0.011644
     14.07873     15.09675      5.80657        -0.028716     -0.191366      0.047738
     13.76021     15.01669      7.21035         0.257010      0.213518      0.104012
     13.85032     16.14579      8.27747        -0.017159     -0.242672     -0.092521
     13.28983     16.11573      9.61139        -0.121174     -0.233456      0.005309
     13.37598     17.23228     10.45335        -0.138970     -0.212517      0.164538
     14.49742     17.38026      7.99428        -0.054346     -0.131270      0.081047
     14.48012     18.51109      8.81122         0.060471     -0.087123      0.209204
     13.92352     18.43960     10.07304        -0.035053     -0.014884      0.084004
     12.49233     14.99937     10.28332        -0.054055      0.136165      0.068809
     14.65700     16.31054      5.12965        -0.377129      0.061882      0.270559
      9.72513      3.85711      4.77876         0.004110     -0.116765      0.082693
      9.74299      4.79275      3.75394         0.037920     -0.012313     -0.171493
      9.86436      6.16603      4.03729        -0.065720     -0.119580     -0.068218
      9.81496      4.24862      6.10388         0.066296      0.136055      0.125930
      9.86432      5.60680      6.39868         0.128664      0.082059     -0.090349
      9.91080      6.60461      5.38958         0.058311     -0.118589      0.012369
      9.48812      2.49521      4.24456        -0.036795     -0.415755      0.119079
      9.62269      4.02373      2.46101        -0.020061     -0.017350     -0.056829
     10.00263      8.04898      5.78137         0.015494      0.073927     -0.072976
     10.12176      9.07696      4.81114        -0.030341      0.125343      0.089271
     10.21516     10.40322      5.22665         0.164398      0.045846     -0.085105
      9.94415      8.44961      7.14355         0.114821     -0.006700     -0.102230
     10.02525      9.78943      7.54914        -0.114141     -0.082708      0.144060
     10.18148     10.76379      6.57126         0.030100      0.157426      0.031104
     10.27744     12.24714      6.68647        -0.139696      0.286518      0.381355
     10.36210     11.65231      4.41830        -0.139403     -0.167301      0.482344
     10.79524     14.08849      4.97109        -0.132434      0.373287      0.032335
     11.29405     14.41674      3.70851         0.048678      0.153551     -0.178571
     11.70631     15.72352      3.40957        -0.137581     -0.036279     -0.023314
     10.68155     15.16805      5.86283         0.055783      0.214676      0.048166
     11.03634     16.50329      5.53573        -0.127583     -0.085118      0.065793
     11.58820     16.86071      4.23620        -0.067532      0.152688     -0.049048
     12.02656     18.26755      3.70933        -0.101102     -0.029606      0.070689
     12.56963     18.68515      2.43597         0.115189     -0.004366     -0.395483
     12.86595     20.04035      2.14665        -0.101245     -0.292760     -0.094851
     11.90492     19.37576      4.56752         0.182234      0.115793     -0.015000
     12.17142     20.71840      4.29006         0.058425     -0.102761      0.195338
     12.62202     21.09836      3.02611        -0.021158     -0.104323     -0.015250
     12.96066     17.81125      1.23565         0.058603      0.160308      0.111755
     10.79857     17.43407      6.73099        -0.126060     -0.202906      0.079859
     10.35114      7.08796     14.63882         0.130584      0.324484     -0.014173
     10.23810      7.51284     15.96800         0.099458      0.096239     -0.131297
     10.26008      8.88841     16.31136         0.120491     -0.347801      0.216891
     10.37126      8.04800     13.61899         0.032892     -0.378889      0.050640
     10.32083      9.39885     13.96087         0.024584      0.320342      0.153019
     10.32925      9.88703     15.29821         0.143512      0.010057     -0.011241
     10.43362      5.59196     14.59197         0.250922     -0.498772     -0.253731
     10.06542      6.26478     16.80109        -0.070732     -0.211881      1.037234
     10.43654     11.39360     15.55815        -0.030831      0.204192      0.029253
     10.43607     11.99411     16.85243         0.008972      0.111906      0.144884
     10.59631     13.38947     17.00665         0.028274      0.000072     -0.094385
     10.55586     12.31310     14.47153        -0.055652     -0.063955      0.021919
     10.69188     13.70225     14.62179         0.073542     -0.030735     -0.009661
     10.73711     14.23595     15.90948        -0.054686     -0.132992     -0.104052
     10.86683     15.65528     16.36234         0.164547      0.410674     -0.337456
     10.62014     14.26867     18.23139         0.073342     -0.250215      0.415679
     10.69508     16.81938     18.65476         0.033515      0.055560      0.192123
     10.15357     16.75881     19.93978        -0.154453      0.071783      0.227670
      9.95461     17.91837     20.71370         0.094546     -0.137914     -0.282291
     11.09529     18.11631     18.27029         0.092434      0.064297     -0.051499
     10.98450     19.26973     19.09133         0.028938     -0.094201     -0.165224
     10.38936     19.22559     20.41589         0.024916      0.179166      0.143689
     10.18974     20.36994      0.21403        -0.248735     -0.318795     -0.088646
      9.58496     20.30329      1.53927        -0.191216      0.032001     -0.150245
      9.37326      0.19682      2.32473        -0.030183     -0.128731      0.116787
     10.56384      0.43877     21.17436         0.018960      0.199030     -0.075939
     10.25472      1.59615      0.65239        -0.040648      0.065902     -0.206310
      9.66574      1.50656      1.91846         0.181425     -0.189853     -0.208803
      8.93741     19.10706      2.23655         0.318701      0.110405      0.121969
     11.60029     20.48752     18.39381        -0.099052     -0.163247      0.259812
      7.17318      7.64333     17.46922         0.031631      0.142731     -0.088132
      7.15121      8.59288     16.44553         0.080765      0.046367     -0.091682
      7.18875      9.97549     16.72200        -0.099057     -0.257340     -0.016045
      7.27824      8.04067     18.79558         0.009341      0.105391      0.021195
      7.29102      9.40847     19.08145         0.174390      0.024510     -0.194587
      7.24408     10.41370     18.07390        -0.009355     -0.047700      0.071933
      6.89077      6.29358     16.91052        -0.155450     -0.382431      0.153664
      7.03081      7.83599     15.14505        -0.151158     -0.021469      0.104707
      7.22935     11.86906     18.47928         0.082870      0.126104     -0.054334
      7.29779     12.94856     17.55046        -0.054452      0.135510      0.041818
      7.26364     14.27209     18.01991         0.066507      0.039541     -0.048925
      7.18916     12.22136     19.85475         0.152342     -0.022902     -0.098364
      7.21894     13.54282     20.31264        -0.057039     -0.051340      0.053182
      7.20867     14.57336     19.38097         0.031362     -0.066434      0.013412
      7.18236     16.04975     19.58101        -0.018153      0.156364      0.196587
      7.36368     15.57766     17.28509        -0.147703     -0.049831      0.129221
      7.56683     18.02081     18.01469        -0.124611      0.388622     -0.112482
      8.28042     18.41278     16.88235         0.115585      0.184609     -0.149405
      8.61437     19.75355     16.67395        -0.023289     -0.027956     -0.026411
      7.17679     19.07446     18.86684        -0.000493      0.245655      0.078106
      7.43136     20.45146     18.58334        -0.091616     -0.040583      0.127749
      8.20302     20.87121     17.42163         0.118074      0.088642     -0.175920
      8.69490      1.01893     16.91602         0.170961     -0.208504      0.118946
      9.32139      1.37852     15.64775        -0.091579      0.262269      0.133945
      9.72710      2.70396     15.35845         0.257885     -0.093286      0.078352
      8.64287      2.13098     17.77832         0.060951     -0.003757      0.155612
      9.13673      3.42072     17.51963        -0.044182     -0.131295      0.032934
      9.67439      3.76769     16.27231        -0.025349      0.014289     -0.053837
      9.74671      0.52228     14.45999         0.049697     -1.008861     -0.376993
      6.80271      0.10816     19.64379        -0.129584     -0.241081     -0.187320
      6.95045     10.87238      6.11954        -0.017570     -0.007507     -0.014191
      6.81368     11.31733      7.43050        -0.020465     -0.017920      0.065463
      6.88400     12.68383      7.76028         0.038779     -0.086905     -0.021538
      7.22856     11.77624      5.10002        -0.039452     -0.000282     -0.065095
      7.32328     13.13324      5.41988        -0.055187     -0.038294      0.138611
      7.12300     13.64315      6.73286         0.012561     -0.103530      0.086713
      6.92876      9.38381      6.07723         0.067006     -0.292603     -0.074432
      6.72888     10.08953      8.29330         0.020621     -0.168997      0.282704
      7.22353     15.13026      6.97380         0.030427      0.295521      0.013905
      7.08129     15.76443      8.24040         0.075198      0.136064      0.064282
      7.21857     17.16884      8.34504         0.065853     -0.109436      0.023055
      7.52330     15.99154      5.87742        -0.116951      0.030668      0.161091
      7.56459     17.38461      5.97461        -0.062293     -0.029640      0.001068
      7.40752     17.97945      7.23061         0.000106     -0.179699     -0.124656
      7.61907     19.40196      7.64792        -0.073920      0.286023      0.036783
      7.36481     18.04886      9.55036        -0.058526     -0.065158      0.767455
      7.62420     20.57604      9.95813         0.058453      0.301758      0.210843
      7.16511     20.56223     11.28403        -0.067551      0.049747      0.115446
      7.07903      0.47199     12.05693         0.120716     -0.019175     -0.162457
      8.09706      0.58194      9.55707         0.142192      0.263252      0.056454
      8.14692      1.72865     10.41170         0.281983     -0.138945     -0.323141
      7.58767      1.75389     11.74037         0.060047      0.156134      0.111280
      7.47665      2.94014     12.77457        -0.166886     -0.469752      0.216328
      6.89734      2.85683     14.11935        -0.029483      0.131473     -0.393511
      6.72037      4.01178     14.90869        -0.008896     -0.003616      0.260488
      7.91457      4.26506     12.50339         0.005618      0.089677      0.292234
      7.70901      5.41614     13.30399        -0.022311     -0.137894     -0.277989
      7.10027      5.32538     14.55614         0.002939     -0.571869      0.021274
      6.26418      1.64001     14.82174        -0.350440      0.159681      0.381944
      8.98527      2.84193      9.79533        -0.047571     -0.280240      0.050778
      4.14827     11.48837     10.70185         0.088198      0.088598     -0.041194
      3.88663     12.35864      9.64937         0.087568      0.154347     -0.130125
      3.92085     13.74724      9.80200         0.124411     -0.050066      0.006015
      4.47935     12.00611     11.94857         0.127752      0.066412     -0.053615
      4.51834     13.39829     12.11829         0.024213      0.103585     -0.165782
      4.24739     14.31637     11.05865         0.097207     -0.142101     -0.023423
      3.85827     10.09067     10.27718         0.013373     -0.182076      0.057280
      3.46634     11.55109      8.47511        -0.088281     -0.137673     -0.476054
      4.30276     15.81044     11.26824         0.128912     -0.012262     -0.090680
      4.04531     16.76441     10.23647         0.096612     -0.071491     -0.044033
      4.12562     18.13686     10.52056        -0.002655      0.008284     -0.216769
      4.70785     16.31495     12.53006         0.069513     -0.090002     -0.141836
      4.79004     17.67931     12.79894        -0.019567      0.035720      0.067939
      4.42896     18.58140     11.79954         0.049888      0.111435      0.121884
      4.31591     20.06381     11.84157        -0.087572     -0.472741     -0.690473
      4.07693     19.35974      9.62163        -0.085374     -0.096411      1.541010
      4.36227      0.64532     10.09810         0.176777      0.192968     -0.119190
      4.78262      0.97451      8.80768         0.053970      0.095501     -0.105416
      5.22977      2.26448      8.50699         0.069157      0.021803      0.078697
      4.26923      1.76148     10.95428         0.076678      0.096540      0.105275
      4.73545      3.08693     10.64459        -0.217793     -0.379105      0.267707
      5.34052      3.39411      9.35977         0.070683      0.055879      0.251911
      5.95622      4.75709      8.81976         0.018266     -0.056553      0.171382
      6.46127      5.05912      7.50949         0.263679      0.094597     -0.306849
      6.79273      6.38731      7.08303        -0.004884     -0.365438     -0.155523
      5.93025      5.93222      9.59413         0.240690      0.328357     -0.108286
      6.22929      7.24728      9.18625        -0.122286     -0.566146      0.128571
      6.62110      7.53887      7.87566        -0.151535     -0.099652      0.194222
      6.59642      4.01102      6.40815         0.194060      0.206745     -0.048855
      4.36902      3.98363     11.85214        -0.078886     -0.128274     -0.122274
      0.98800     14.23847      0.85942        -0.025736      0.061928      0.045702
      1.59907     14.67666      2.03364         0.010616      0.015126      0.153720
      1.61507     16.05959      2.35490         0.068464     -0.134022      0.192182
      0.56511     15.14639     21.15470        -0.141369     -0.099198      0.233140
      0.63981     16.50072      0.18760        -0.008531     -0.119699      0.121992
      1.07455     17.01047      1.43597         0.072293      0.135236     -0.086372
      0.91161     12.75820      0.82956         0.113322      0.260886      0.313856
      2.20899     13.42815      2.67088         0.547653     -0.347813      0.637955
      0.97170     18.52018      1.62939        -0.114629      0.127754     -0.035075
      1.33129     19.24233      2.80338        -0.101708     -0.051227     -0.050285
      1.16106     20.64035      2.83045         0.131252     -0.097498     -0.000778
      0.47876     19.31037      0.54354        -0.006697     -0.089414      0.049816
      0.28719     20.69219      0.58985         0.043406     -0.118453     -0.124151
      0.61718      0.09353      1.76194         0.092296     -0.023715      0.063839
      0.57840      1.54831      2.06544        -0.115919      0.250016     -0.078045
      1.60268      0.38674      3.84322         0.295927      0.131951      0.407104
      1.37824      2.93408      4.05772         0.143340      0.117514      0.165384
      1.95939      2.95905      5.32117         0.092608      0.020466      0.192112
      2.09413      4.15055      6.02525        -0.107525      0.151388     -0.192981
      0.92269      4.18756      3.62186        -0.158183      0.110135     -0.123330
      1.03690      5.39019      4.35560         0.002538      0.006584      0.085588
      1.72178      5.46056      5.62018         0.038478      0.225123      0.184161
      2.07602      6.71851      6.49305        -0.059191     -0.261630     -0.456031
      2.55134      6.67922      7.83040         0.058401     -0.167944      0.121726
      3.03025      7.78366      8.55572        -0.135416     -0.248703      0.176366
      2.05611      8.06675      6.04133        -0.031187      0.245018     -0.064980
      2.52486      9.19333      6.75969        -0.060319     -0.327377     -0.300323
      3.05816      9.07655      8.05914        -0.147814      0.106179     -0.324294
      2.81485      5.42224      8.58684         0.511793      0.079612      0.231103
      0.28905      6.53434      3.69129         0.283843     -0.127698     -0.232347
      4.68141     14.08587      0.69708        -0.047944      0.198234     -0.050576
      4.06409     14.99244     -0.17036        -0.030401     -0.028674     -0.001376
      4.07214     16.39054      0.10121        -0.044115     -0.162273     -0.142781
      5.36017     14.56216      1.81758        -0.076194     -0.249628     -0.139778
      5.37071     15.92940      2.07712        -0.169334      0.021409      0.044536
      4.70948     16.89877      1.27833        -0.078906      0.107812      0.012544
      4.52639     12.67927      0.20736        -0.014861     -0.131943     -0.074492
      3.49101     14.14990     19.95442        -0.192546     -0.087246     -0.527061
      4.74949     18.36503      1.75261        -0.029341      0.126536      0.049980
      4.13863     19.48480      1.11123         0.003281      0.173495     -0.049980
      4.31025     20.79880      1.62311         0.038167     -0.039718     -0.111025
      5.47412     18.68201      2.93986        -0.040050      0.006791      0.014173
      5.65867     19.97508      3.44509        -0.043581      0.147892     -0.009159
      5.07488     21.04624      2.76341        -0.028624     -0.310474     -0.104550
      5.15878      1.25212      3.03066         0.085901      0.267232      0.218931
      3.83713      0.88783      1.11838        -0.184774      0.160141     -0.166876
      4.00688      3.34528      2.01544         0.071143      0.357802     -0.089621
      3.08432      3.93530      1.12721        -0.108971      0.045660     -0.446289
      2.81391      5.32544      1.08944         0.186081      0.204072      0.035948
      4.52830      4.29083      2.93219        -0.115205      0.123001     -0.238810
      4.25001      5.69152      2.86323        -0.153693     -0.287246     -0.144506
      3.43256      6.35431      1.87617         0.181413     -0.056016      0.207757
      3.15131      7.95073      1.77551        -0.057150      0.074660     -0.143886
      2.13841      8.55069      0.95082        -0.349892      0.102183     -0.076319
      1.73943      9.91332      1.02191        -0.084520     -0.257982     -0.142433
      3.76228      9.01616      2.54787         0.064329     -0.251864     -0.146884
      3.30259     10.34759      2.68599         0.288943      0.355058     -0.034589
      2.24368     10.86695      1.91609         0.123855     -0.069174     -0.110567
      1.21776      7.78560      0.00786        -0.473460      0.391081      0.365054
      4.90450      6.45684      3.96054        -0.149631      0.304992     -0.032384
     18.10914     17.33517     13.60715        -0.053715      0.042670     -0.012423
     19.13079     17.81248     14.42451         0.013785      0.010516     -0.023651
     19.40482     19.18340     14.54142        -0.162168     -0.226568      0.026203
     17.36914     18.22480     12.82956        -0.233214      0.063990      0.060952
     17.62858     19.59688     12.94419         0.128737      0.056502      0.155110
     18.61599     20.12529     13.82586        -0.083364     -0.039677      0.043243
     18.03721     15.84773     13.71291        -0.402994     -0.394072     -0.097967
     19.80185     16.62099     15.04407        -0.193846      0.087289     -0.027389
     18.73933      0.35372     14.05055        -0.022050      0.299601      0.036570
     19.72355      0.93495     14.90370        -0.127875      0.247538      0.133928
     19.66399      2.31148     15.19851         0.028512     -0.038339      0.126100
     17.79372      1.25559     13.47720         0.053097     -0.042185      0.059128
     17.78665      2.63652     13.72879        -0.111808     -0.067607     -0.078674
     18.72607      3.16062     14.61531        -0.085336     -0.105671     -0.172803
     18.94417      4.56529     15.07974        -0.234792      0.386283     -0.121077
     20.45049      3.13956     16.17911        -0.073420      0.043000     -0.125428
     20.63337      5.66311     16.63042         0.385410      0.361743      0.467784
      0.68530      5.62829     17.11967         0.129721      0.137753      0.291134
      1.32620      6.78519     17.59274        -0.614450      0.255065     -0.112746
     20.00259      6.90973     16.80318        -0.648837     -0.024306     -0.079848
     20.59995      8.04484     17.40771         0.100683      0.049731      0.139229
      0.74392      8.06258     17.80754        -0.158739     -0.218540     -0.111591
      1.61000      9.20611     18.43214         0.208697      0.144759     -0.080909
      2.95729      9.13524     18.96512         0.133619     -0.075798      0.006594
      3.62918     10.26563     19.53125        -0.216123     -0.179303     -0.085744
      1.10777     10.52049     18.58824         0.167884      0.092116      0.145492
      1.77996     11.63244     19.13478        -0.618356      0.158221     -0.423480
      3.07141     11.54745     19.62510         0.443242      0.457475      0.452824
      4.03688      8.02261     18.86224        -0.371997     -0.008505      0.304820
     19.55676      9.14151     17.66419         0.162634     -0.125176      0.230782
      1.97253     18.19176     14.10476        -0.056810     -0.136054      0.228076
      1.24351     19.13176     13.38808         0.004358     -0.040817     -0.069264
      1.34448     20.50004     13.66719        -0.132490     -0.109343      0.041857
      2.86913     18.61110     15.08084         0.144467      0.175171      0.121022
      3.00014     19.97989     15.33863        -0.110607      0.349691      0.030925
      2.21194     20.97297     14.68715        -0.172588     -0.218296      0.005408
      1.64874     16.82189     13.62478         0.389645     -0.531547      0.103786
      0.47039     18.37985     12.34788        -0.359847      0.177072     -0.432715
      2.34467      1.17985     15.00808        -0.099176      0.107458      0.105294
      1.71261      2.18701     14.22944         0.035926      0.240995      0.017918
      1.96920      3.53682     14.49969        -0.062757      0.208728     -0.120629
      3.15336      1.63334     16.08636        -0.230319     -0.100399     -0.001377
      3.48789      2.98231     16.28274         0.052014     -0.105847      0.139709
      2.91156      3.93403     15.44684         0.160386      0.104233      0.036215
      3.14654      5.40883     15.30002         0.285538      0.271382      0.058055
      1.39441      4.78379     13.88087         0.715724     -0.375019      0.741955
      1.63640      7.27479     14.43890         0.039791      0.240060     -0.104172
      0.34754      7.55498     13.99697        -0.309852      0.020722     -0.206322
     21.04742      8.83045     14.11771        -0.025353     -0.043888     -0.138114
      2.35477      8.39843     14.91004        -0.158618      0.121008     -0.070011
      1.80051      9.71186     14.99531        -0.055148     -0.131234     -0.013612
      0.42278     10.00356     14.58353        -0.078259      0.109560      0.036450
     20.87889     11.35931     14.56507         0.124882     -0.004111     -0.017409
     19.51245     11.66721     14.14687        -0.148671     -0.036296     -0.031216
     18.98033     12.98219     14.19003         0.083976     -0.283598     -0.134261
      0.28079     12.54648     14.93901        -0.010907      0.193271      0.249091
     -0.25845     13.83956     15.04081         0.131707      0.032210      0.153373
     19.69068     14.10881     14.63108         0.057912     -0.257960      0.078235
     18.45655     10.69102     13.60467         0.098268      0.226959      0.282465
      2.87017     10.69778     15.48888         0.173943     -0.178240     -0.087837
     16.11211      0.41634      5.23536         0.150976      0.053737     -0.060906
     16.87125      0.85268      6.31887         0.055744     -0.028775      0.102333
     16.94011      2.21632      6.67618         0.008322     -0.175260     -0.035257
     15.36745      1.32446      4.50664         0.062480      0.000249     -0.090098
     15.43039      2.67430      4.84789         0.092225      0.012238      0.032760
     16.22098      3.17802      5.90442         0.022784     -0.047815      0.049969
     16.37581     20.23972      4.93806         0.040420     -0.132756     -0.137979
     17.56965     20.89420      6.85815         0.187361     -0.084926      0.195874
     16.25856      4.67336      6.12485        -0.081724      0.190765      0.116519
     17.04961      5.30134      7.12081        -0.163563      0.107276      0.137832
     16.97529      6.69636      7.30758        -0.085913     -0.095189      0.113661
     15.44538      5.54175      5.33796         0.096098     -0.048560      0.130115
     15.43438      6.93305      5.48588         0.010160     -0.047042     -0.055571
     16.21942      7.51579      6.47545        -0.034788     -0.035922     -0.023042
     16.42449      8.95264      6.84080         0.101053      0.220481     -0.012052
     17.54143      7.56940      8.38057         0.269405     -0.031241      0.573378
     17.74836     10.10846      8.71030         0.065081      0.243021      0.087597
     18.81374     10.01367      9.60306         0.084743      0.034532      0.261458
     19.40135     11.15241     10.16459        -0.240949     -0.203556     -0.035133
     17.29586     11.42363      8.49080        -0.002929      0.315636      0.039467
     17.83729     12.56907      9.14106        -0.211060     -0.115438     -0.007941
     18.96597     12.47756     10.04067         0.030494      0.262354      0.170895
     19.74016     13.57737     10.82196         0.144374     -0.069529     -0.113261
     21.03000     13.46178     11.49298        -0.189282     -0.154622     -0.180813
      0.42235     14.58464     12.02256         0.042283      0.044978      0.041570
     19.24927     14.90457     10.89481        -0.038825      0.061657     -0.026090
     19.94415     16.03327     11.37239        -0.181324      0.163337     -0.141034
     21.19772     15.88998     11.97692        -0.246034      0.108094     -0.106373
      0.75366     12.28572     11.58932         0.146263     -0.034348      0.154621
     17.04190     13.82958      8.81173         0.304407     -0.184126     -0.092092
     20.39532      1.33988      6.11258        -0.092053     -0.005289     -0.072447
     19.81950      2.38848      5.38773        -0.068762      0.175192      0.207870
     19.81194      3.69539      5.84758         0.086105      0.041190      0.302238
     20.91562      1.58612      7.37573        -0.119323      0.126751      0.112196
     20.85020      2.89246      7.88068        -0.111913      0.169663      0.082935
     20.33299      3.99119      7.13797        -0.086343      0.057160      0.001932
     20.23707      0.07814      5.32400         0.043771     -0.188712      0.180562
     19.16222      1.83852      4.17610        -0.288012     -0.095046     -0.417308
     20.38997      5.41583      7.63555        -0.193559      0.050660     -0.095719
     20.00525      6.47171      6.77394        -0.105841     -0.165308      0.083228
     20.28685      7.79687      7.10519        -0.243055     -0.120102     -0.216990
     -0.37806      5.79216      8.91095        -0.096879     -0.014846     -0.067253
     -0.00820      7.11612      9.19893         0.100906     -0.100716      0.229568
     20.97798      8.11047      8.26031        -0.001466      0.131229      0.062769
      0.03289      9.56047      8.22168         0.444870      0.541749      0.605548
     19.99619      9.06407      6.36221        -0.025794     -0.283818      0.124396
     20.43485     11.52174      6.80426        -0.068328      0.295129     -0.076348
     19.53442     11.93185      5.82226        -0.304463      0.278699     -0.301075
     19.21816     13.28067      5.62712         0.057780      0.027374      0.008437
     21.04462     12.58232      7.50137         0.046365      0.126486      0.076624
     20.77320     13.95244      7.25074         0.214251     -0.082324      0.073918
     19.79020     14.39547      6.28568         0.068299      0.028614      0.022825
     19.28984     15.83309      5.99649         0.072193     -0.187636     -0.026170
     18.47147     16.28648      4.90088        -0.164646      0.024276     -0.186906
     17.94332     17.60349      4.85357         0.000999     -0.175526     -0.190449
     19.54145     16.88896      6.90746        -0.138960      0.204923     -0.050179
     18.93254     18.14956      6.91578         0.058896     -0.050952      0.055785
     18.05483     18.53973      5.89643         0.211628     -0.190728     -0.054810
     17.90377     15.40512      3.77694         0.101729      0.140457     -0.015472
      0.46951     14.85737      8.02071         0.091918     -0.121915     -0.077752
     12.67813      5.22602      4.07875        -0.010940      0.017423     -0.132382
     13.13522      3.76497     20.55710         0.015859      0.007407     -0.016538
     12.90921      6.14840     21.10422         0.093230     -0.061037     -0.085384
     12.78801      7.43265      4.42237         0.006901     -0.095189      0.015165
     13.16878      7.88689      0.12440         0.073828      0.170052      0.106704
     13.52893     10.29951      0.38582         0.018114     -0.051747      0.149536
     13.22569     13.48545      8.61173        -0.006705     -0.184105      0.201567
     13.26423     11.58958      7.14989        -0.134025      0.192021      0.069447
     14.37112     14.13450      3.91214        -0.102016     -0.014575     -0.008955
     12.93948     17.15923     11.44153        -0.037931     -0.006030      0.133264
     15.01006     17.53527      7.06760         0.073230     -0.142853     -0.085028
     14.87544     19.46846      8.47646         0.275320     -0.067468     -0.271785
      9.92481      6.88628      3.21875        -0.124698     -0.085418     -0.017571
      9.75302      3.52075      6.90118         0.135884     -0.036328     -0.046857
      9.81282      5.89398      7.45222         0.197982     -0.061375     -0.139702
     10.12651      8.85256      3.74581        -0.000970      0.012208     -0.038182
      9.80514      7.69741      7.92375         0.048862      0.103646     -0.082175
      9.91171     10.05790      8.60747         0.153472     -0.041800     -0.188340
     12.17141     15.83830      2.44451        -0.057908     -0.087309     -0.073759
     11.37250     13.64231      2.95042         0.197575      0.121380     -0.098137
     10.31727     14.96999      6.86899         0.065964      0.009537     -0.147187
     13.27647     20.26781      1.16935        -0.023183      0.022774      0.038620
     11.59664     19.20081      5.57124        -0.070450      0.108463      0.331373
     12.06097      0.19828      5.07754        -0.207331     -0.062728      0.047364
     10.20969      9.15874     17.37358         0.021878     -0.031346     -0.163719
     10.38517      7.75011     12.56601         0.055610      0.014469      0.109337
     10.25944     10.11718     13.14506         0.099778     -0.048038     -0.069732
     10.26438     11.39363     17.74604         0.138464     -0.066522      0.065576
     10.52467     11.94517     13.44624         0.061862     -0.016533      0.010479
     10.76532     14.35734     13.74701         0.012702     -0.137536      0.060360
      9.42872     17.75362      0.37395        -0.039078     -0.188788      0.133478
      9.90353     15.78695     20.36611        -0.185890      0.158713      0.034018
     11.50468     18.27201     17.27775         0.021054     -0.157420      0.000190
      8.97585      0.05514      3.32327        -0.053272      0.106959     -0.068514
     11.16859      0.61995     20.29862        -0.174416      0.081510     -0.049970
     10.45031      2.58182      0.22203         0.208885     -0.194294      0.008637
      7.14181     10.70754     15.90959        -0.024600     -0.191238      0.005284
      7.23510      7.30859     19.60117         0.158481     -0.023177     -0.011764
      7.27855      9.69378     20.13490         0.145458     -0.049966     -0.100973
      7.40800     12.76931     16.47690        -0.108153      0.021970      0.081129
      7.11823     11.44489     20.61854         0.094591      0.110526     -0.100278
      7.22035     13.75215      0.12633         0.065872     -0.029591     -0.169687
      9.28498     19.93227     15.85561         0.108379     -0.160606     -0.166100
      8.61754     17.67362     16.16033         0.124656      0.072595     -0.008188
      6.68969     18.83629     19.81798         0.037655      0.031581     -0.385059
     10.10087      2.85181     14.34861         0.112910      0.357134      0.255959
      8.21906      1.97823     18.76723         0.090101      0.169674     -0.053653
      9.09759      4.15916     18.30457        -0.164143      0.170254      0.264108
      6.80267     12.99633      8.80632        -0.020110     -0.085574     -0.123123
      7.44028     11.42884      4.08533        -0.127421      0.019878      0.024050
      7.63950     13.80547      4.62050        -0.213553     -0.069431      0.022923
      6.91559     15.17392      9.14832         0.038743      0.112691     -0.086110
      7.81892     15.55354      4.92141        -0.254779      0.150915      0.031055
      7.82860     17.97649      5.09498        -0.073072     -0.015864      0.166837
      6.56578      0.33243     12.98713        -0.005683     -0.133393      0.008438
      6.83791     19.62397     11.72811        -0.000509      0.069459      0.040750
      8.45788      0.71444      8.53996         0.031860     -0.143933      0.074961
      6.27749      3.88558     15.88781         0.000098      0.026447      0.024677
      8.51924      4.45701     11.63410        -0.118441      0.018771     -0.285125
      7.98545      6.40536     12.93239         0.218195     -0.218705     -0.141529
      3.61904     14.37454      8.96679         0.174176      0.000545     -0.095193
      4.63150     11.34125     12.79581         0.159479      0.038300     -0.109961
      4.70672     13.76980     13.13098         0.039877     -0.070522     -0.195662
      3.82526     16.44163      9.21511        -0.051532      0.039044      0.074529
      4.96794     15.61679     13.33182         0.011769      0.204987     -0.149215
      5.14366     18.01445     13.77559        -0.058403      0.071990     -0.081176
      5.51875      2.36272      7.48479         0.095449     -0.117048     -0.130770
      4.77620      0.20884      8.03229         0.122516      0.152132     -0.095261
      3.85430      1.60316     11.94716         0.089272     -0.014662     -0.125031
      7.15797      6.49584      6.06649        -0.087987      0.039341      0.065935
      5.55920      5.86238     10.58927         0.057053      0.125686      0.347503
      6.10760      8.05101      9.89713        -0.082387      0.034593      0.285123
      2.05920     16.40726      3.29609        -0.081662     -0.168054     -0.095705
      0.20482     14.81926     20.18655        -0.167177     -0.130008     -0.167200
      0.34562     17.18022     20.65623        -0.126125     -0.041882     -0.072265
      1.74219     18.73143      3.67969        -0.027601      0.093084     -0.050778
      0.24045     18.83973     20.85002        -0.031338      0.067881      0.089171
     -0.04788     -0.01601     20.96648        -0.078704     -0.050040      0.078016
      2.50422      3.96760      6.98728         0.134568     -0.031126     -0.066211
      2.29279      2.03414      5.78735         0.041595      0.150270      0.037676
      0.41091      4.24972      2.67894        -0.194803     -0.098941     -0.292128
      3.33695      7.61798      9.57852         0.074005      0.145533     -0.047550
      1.65571      8.29295      5.05683         0.129012      0.001917     -0.007149
      2.44231     10.17956      6.31676        -0.005191      0.026599     -0.236936
      3.58116     17.07753     20.66042         0.053584     -0.142869      0.068196
      5.86382     13.86000      2.48271         0.010280      0.027016      0.081548
      5.90408     16.24599      2.96825         0.012147     -0.055040      0.040408
      3.53113     19.34476      0.21304         0.095267      0.062389     -0.008889
      5.99558     17.88786      3.47563        -0.145157      0.145631      0.019264
      6.30174     20.14691      4.31949        -0.260332     -0.041984     -0.126398
      1.99828      5.57753      0.43392         0.164435     -0.082685     -0.303934
      2.53024      3.30336      0.42374         0.087915      0.208987      0.133542
      5.13558      3.92056      3.75145         0.107548      0.145412     -0.028446
      0.98207     10.21887      0.31704        -0.131744      0.076283      0.092482
      4.66881      8.84549      3.11970        -0.071664     -0.068104     -0.203993
      3.84389     11.03968      3.34323         0.037936     -0.348059     -0.034689
     20.22792     19.49823     15.18013        -0.052058      0.055326      0.153621
     16.58069     17.86788     12.15904         0.087786      0.010396      0.044185
     17.02923     20.27982     12.33289         0.107038     -0.153352      0.084556
     20.53548      0.33893     15.33416        -0.231500      0.039861      0.094079
     17.01054      0.87013     12.81673         0.124567      0.054261      0.108617
     17.03558      3.28068     13.25663         0.124411     -0.086497      0.067562
      2.36388      6.65871     17.81814         0.084081     -0.123636      0.042687
      1.22739      4.68570     17.17003         0.043940      0.068035     -0.107789
     18.95545      7.01309     16.48235         0.481437     -0.103883      0.119480
      4.61165     10.06646     19.93031         0.173173      0.278348      0.073976
      0.10054     10.71373     18.27914        -0.312808      0.192512     -0.132107
      1.27379     12.59948     19.16275        -0.142924     -0.235883     -0.124670
      0.73710     21.19150     13.09560        -0.132620      0.154881     -0.192917
      3.51208     17.89430     15.59052        -0.066138     -0.058325      0.122837
      3.78346     20.30998     16.02673        -0.146338     -0.139463      0.048129
      1.04644      1.94394     13.39999        -0.001398     -0.020195      0.019555
      3.60776      0.90331     16.76433        -0.087546      0.127636     -0.108019
      4.22916      3.24400     17.04939        -0.320955      0.059798     -0.113933
     20.01903      8.87594     13.79976        -0.070135      0.040315     -0.015607
     21.04496      6.73882     13.53677        -0.259491      0.322541      0.174440
      3.38625      8.26138     15.22544        -0.139360     -0.033669     -0.001173
     17.98352     13.13270     13.79120        -0.037774     -0.004612      0.115084
      1.33538     12.49563     15.14290         0.048696      0.095459      0.177015
      0.35932     14.65121     15.42573         0.132882     -0.206814     -0.141958
     17.59790      2.52981      7.49418        -0.168372     -0.112920     -0.019487
     14.77757      0.98137      3.66241         0.131814      0.016953     -0.021159
     14.85269      3.37087      4.24484         0.129320     -0.084074     -0.005657
     17.73691      4.70719      7.72561        -0.178246      0.093108      0.185353
     14.78183      5.12179      4.58046         0.153561      0.090823      0.070071
     14.78872      7.54859      4.85837         0.241908     -0.091185      0.031202
     20.26193     10.96333     10.77085        -0.023838     -0.192367      0.089663
     19.18779      9.03230      9.87983         0.098374      0.062127      0.071033
     16.50948     11.59247      7.76248        -0.071444     -0.065840      0.088072
      1.37959     14.42191     12.48298         0.164606      0.105309      0.136359
     18.24004     15.09201     10.54424         0.125252      0.093139     -0.010067
     19.53900     17.04065     11.20887        -0.124194     -0.372523      0.147589
     19.39858      4.46061      5.19559        -0.118492      0.052628      0.010935
      0.06988      0.77569      7.97315         0.065909     -0.036977      0.070279
     -0.02062      3.06348      8.88603        -0.037781     -0.004530     -0.057865
     19.53132      6.24455      5.82278        -0.064245      0.103809      0.228897
     -0.22160      5.02832      9.67667         0.040119      0.168509     -0.067163
      0.55232      7.33030     10.11749        -0.336965      0.065368     -0.040810
     18.43004     13.44491      4.91627        -0.050676     -0.086289     -0.075197
     19.04194     11.18177      5.21185        -0.147734      0.119318     -0.053926
      0.50510     12.35227      8.27767         0.001844     -0.055520     -0.130641
     17.30289     17.83953      4.01290         0.021094      0.087186     -0.069294
     20.24149     16.74332      7.70599        -0.028262     -0.072409      0.231676
     19.14593     18.84760      7.71959         0.144523     -0.105027      0.120520
     13.87873     19.27443     10.77035         0.075978      0.182239     -0.077475
     19.10596     21.05107      3.53031        -0.013360     -0.113849     -0.213153
     12.79432      1.21173      2.63581         0.130350      0.152504     -0.105169
     13.64932     11.55591      4.47682        -0.039432     -0.018367     -0.387296
      9.51756      2.61983      2.80630         0.110390      0.152976      0.155760
     10.47825     12.74025      5.34002         0.038190      0.056942      0.287316
     10.03862      5.13337     15.91183         0.215824     -0.053444     -0.188397
     10.75952     15.64007     17.79823         0.021386      0.291437     -0.207389
      6.99866      6.41822     15.48115         0.051762      0.236407     -0.131272
      7.31554     16.63234     18.27600         0.025671     -0.140685      0.243011
      6.74073      8.92066      7.42899         0.088907      0.148469     -0.212495
      7.57427     19.41224      9.10065        -0.106566     -0.144285     -0.304033
      3.50797     10.16272      8.87074        -0.031179      0.179077     -0.016989
      4.15521     20.52814     10.49078        -0.034030     -0.024968      0.299157
      1.78952     12.27237      1.86205         0.141767     -0.355166     -0.065348
      1.20767      1.70331      3.35110        -0.148717     -0.110573     -0.273739
      3.71441     12.72659     20.29150        -0.321540     -0.050953     -0.100981
      4.32487      1.91360      2.04510        -0.038237      0.077795      0.123747
     19.15815     15.44460     14.53893        -0.188720     -0.006491     -0.228800
     20.02833      4.51668     16.01673        -0.271901     -0.088419     -0.168220
      0.66475     16.97118     12.58959         0.076163      0.092713      0.200024
      2.08560      5.90748     14.46213         0.323006      0.123415      0.171379
     17.36472     19.80831      5.89708        -0.055067      0.094223      0.044498
     17.22388      8.94705      8.04402        -0.132696     -0.167956     -0.310425
     19.45997      0.45661      4.20764         0.143135      0.302210      0.182175
     20.64167     10.12857      7.06180         0.169053     -0.105599      0.542332
     12.42385      2.27768      4.71022        -0.097524      0.153246      0.053332
     13.61984      1.01721      0.39712        -0.364925      0.310777      0.560298
     13.25070      9.81270      6.03486        -0.080059     -0.054146     -0.137193
     13.87737     12.59729      2.32933        -0.118362     -0.790906      0.645292
      9.61080      4.45709      1.32005         0.024511      0.015858      0.019969
      9.29066      1.46338      4.87581         0.227122      0.556639     -0.317959
     10.33509     11.74973      3.20462         0.040836      0.006761     -0.504522
     10.14862     12.92745      7.70574         0.190796     -0.488746     -0.886060
      9.95375      6.18007     18.02956         0.165195      0.250990     -0.947710
     10.84269      4.88662     13.66731        -0.478134      0.617111      0.776574
     10.55014     13.90702     19.39775         0.005588      0.029743     -0.173954
     11.03779     16.64557     15.65104        -0.154861     -0.571875      0.592863
      6.92808      8.29487     14.01956         0.154345     -0.158425      0.037475
      6.55081      5.29088     17.53421         0.467031      0.491557     -0.366275
      7.46776     15.74557     16.08160        -0.053212      0.020138     -0.118784
      7.05791     16.65992     20.64269         0.141294     -0.279440     -0.730663
      6.71321     10.05610      9.51696         0.081538      0.080911     -0.201978
      7.10854      8.68537      5.08476        -0.137390      0.258862      0.637886
      7.35284     17.69597     10.72703         0.067595      0.156613     -0.552271
      7.80932     20.36813      6.91873        -0.207433     -0.363051      0.492815
      3.12918     11.94917      7.36538         0.197761     -0.056564      0.315486
      3.86757      9.08212     10.97563         0.019510      0.432325     -0.339048
      4.04207     19.38138      8.42293        -0.137262      0.065408     -1.496221
      4.30054     20.75761     12.83426         0.097603      0.299121      0.241062
      2.97066     13.35107      3.63404        -0.742914      0.069626     -0.767894
      0.18343     12.11391      0.09352        -0.016884     -0.162288      0.061452
      2.22875      0.18374      4.87613        -0.206609     -0.055094     -0.462756
      0.09952      2.44068      1.37178         0.294948     -0.387925      0.413364
      2.98415     14.52935     18.90516         0.169875     -0.193181      0.633701
      5.03438     11.67451      0.70111        -0.246605      0.248117     -0.189182
      3.16291      1.11864      0.12405         0.209536     -0.052968      0.275469
      5.82481      1.79175      3.90806        -0.376152     -0.141492     -0.580514
     -0.53519     16.62971     15.84121         0.269250      0.051823      0.227336
     17.18261     15.10846     13.22592         0.665303      0.471684      0.392700
     -0.00684      2.73966     17.00179         0.152829      0.012255      0.181139
     18.33321      5.57507     14.73066         0.411208     -0.624498      0.238046
     21.08564     18.84021     11.41323         0.026442     -0.111544      0.248683
      2.15544     15.76101     13.99962        -0.440591      0.754045     -0.143052
      0.49824      4.83688     13.07191        -0.800676      0.088372     -0.738506
      4.08256      6.08708     15.72439        -0.865483     -0.487633     -0.155061
     18.18087     20.79854      7.91397        -0.105504     -0.004133     -0.307923
     15.88378     19.57500      4.02937         0.428115      0.245106      0.497814
     18.11141      7.19902      9.40195        -0.341757      0.197633     -0.354886
     16.04725      9.94784      6.22981         0.295166     -0.503281      0.393978
     18.46019      2.40349      3.34042         0.387424     -0.287047      0.339303
     20.66562     20.20538      5.54487        -0.268823      0.572460     -0.126206
     19.30680      9.17544      5.36533        -0.295636      0.079401     -0.233291
      0.73526     10.18001      9.01950        -0.788412     -0.436027     -0.673177
     13.99235     17.49706      5.30476         0.027135     -0.138651      0.184034
     15.90812     16.51198      5.63649         0.134107      0.025562      0.148446
     14.77802     16.18472      3.79626         0.062074     -0.061658     -0.278300
     11.94392     15.37979     11.49142         0.015386     -0.045290     -0.154527
     11.43573     14.59636      9.53108        -0.089696     -0.163123     -0.118567
     13.23435     13.88640     10.60270         0.078670     -0.045398     -0.105313
     11.94255     17.94612      7.26314         0.001946      0.184950     -0.174658
      9.99517     18.51030      6.44770         0.072665     -0.007821     -0.051055
     10.18061     16.80688      7.78785         0.106501      0.057178     -0.182781
     13.19933     18.54622      0.10340         0.039788     -0.126388      0.010447
     14.10938     17.12262      1.46747         0.125841     -0.228166      0.034954
     12.01517     16.89435      0.85492         0.115997      0.015392      0.065779
     10.80485      0.35046     18.37553         0.249334     -0.166311      0.169574
     12.78123     -0.41438     18.98298         0.071827      0.115999      0.084148
     11.87338     20.26356     17.08370         0.262639     -0.061254     -0.147792
      8.63328     19.36196      3.55890        -0.025957     -0.080246     -0.256774
      7.76315     18.80357      1.62217        -0.124834     -0.220506     -0.304748
      9.64968     17.93957      2.31067        -0.015629      0.062486     -0.180323
      7.70835      0.80695     20.39269         0.067795      0.115634     -0.095961
      5.93260      1.02268     19.11004         0.163565     -0.014071     -0.108960
      6.07030     20.66630     20.57542         0.064539      0.147800     -0.254836
      9.86986      1.21148     13.28203         0.133269      0.034581      0.184998
     10.99682     21.25277     14.69391        -0.057004     -0.049526      0.053124
      8.94654     20.70979     14.10831         0.510016      0.241393      0.059916
      8.35979      4.05750      9.66791         0.165190     -0.109447     -0.000316
     10.13261      3.06949     10.50062         0.053956      0.071753      0.315746
      9.39915      2.52932      8.53431         0.185242     -0.073822      0.017177
      6.04735      1.88414     16.16059         0.092618      0.026825     -0.099052
      5.03617      1.35157     14.30481         0.484248     -0.005142     -0.043196
      6.93077      0.44694     14.84621        -0.183775      0.279427     -0.170798
      5.14283      5.07389     12.12279        -0.260597     -0.091990     -0.051107
      3.07146      4.43553     11.78070         0.044330     -0.157210     -0.019350
      4.39154      3.27870     13.01615         0.100165      0.018824     -0.072797
      7.18574      4.49866      5.28120        -0.032629     -0.048990     -0.076302
      7.36105      2.93212      6.75625        -0.075040     -0.008171      0.202925
      5.38247      3.50989      5.99766         0.077720      0.020505      0.096421
     -0.54986      7.23769      4.48136         0.026093      0.074417      0.111383
      1.13023      7.48963      3.18520        -0.103164     -0.139246      0.048842
     -0.49641      6.08885      2.68048        -0.251815     -0.045304     -0.024456
      3.25784      5.69008      9.83829        -0.108104     -0.152726     -0.033408
      1.84517      4.48128      8.77948        -0.204761      0.016679     -0.015403
      3.82229      4.77005      7.92563        -0.311758      0.096676      0.036068
      6.08339      6.97823      3.50557         0.190594      0.014973     -0.010110
      4.15810      7.48063      4.47175        -0.102512      0.067446      0.022078
      5.14476      5.72413      5.05699        -0.032621     -0.265378      0.001650
      0.29417      8.60992     20.68360        -0.010532     -0.345942     -0.192609
      1.84050      7.09950     -1.00009        -0.056025     -0.021716      0.493834
      0.45568      6.87650      0.66758        -0.108982     -0.294851     -0.090422
     19.39847      9.39193     19.00034         0.290545      0.097469      0.128977
     19.83662     10.34568     17.06535        -0.029611     -0.044463     -0.012067
     18.31576      8.80627     17.23020        -0.248033     -0.013022     -0.178264
      4.86379      8.07863     19.95614         0.206748      0.240911      0.094555
      3.84060      6.67102     18.78716        -0.397739      0.105016     -0.098349
      4.70875      8.34023     17.72402         0.258166     -0.169605     -0.031994
      3.38289     11.42811     14.44551        -0.116632      0.167626     -0.068332
      2.51130     11.61464     16.42933        -0.168389     -0.094488     -0.006754
      3.95468     10.06550     16.03903        -0.102701      0.140065     -0.181541
     17.33940     11.32783     13.13945        -0.024664     -0.140025     -0.025849
     18.88131      9.92078     12.55759         0.005992     -0.057751      0.010194
     18.01940      9.83350     14.57059        -0.011418     -0.207997      0.160506
     16.22778     14.20616      9.84760         0.063587      0.027137      0.157411
     17.80224     14.92321      8.48937         0.046575     -0.033228      0.062410
     16.23204     13.64784      7.73826        -0.001691      0.023139     -0.135807
      1.76378     12.51602     12.48799        -0.089619      0.086118     -0.006562
      0.32591     11.04045     11.97272        -0.201938      0.121597     -0.267219
      1.36659     12.14046     10.39224        -0.126976     -0.121384     -0.137870
      1.21412     15.63294      7.17539         0.011237      0.154861     -0.185127
     21.17057     15.71337      8.93602        -0.057299      0.005903     -0.104699
      1.36015     14.15089      8.77266         0.112997      0.109451     -0.230435
     17.25307     16.12067      2.82018         0.239096      0.041549     -0.117083
     18.82473     14.64989      3.10390         0.324997      0.136361      0.024371
     16.96673     14.50548      4.25117         0.030257      0.049958     -0.084391
 -----------------------------------------------------------------------------------
    total drift:                               -0.000908      0.007586     -0.010755


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4566.8833013977 eV

  energy  without entropy=    -4567.0340087714  energy(sigma->0) =    -4566.93353719
 
 d Force = 0.1018227E+01[ 0.249E+00, 0.179E+01]  d Energy = 0.1005596E+01 0.126E-01
 d Force = 0.1280505E+04[ 0.128E+04, 0.128E+04]  d Ewald  = 0.1280488E+04 0.173E-01


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -1.005596  1 .order   -1.018227   -1.787416   -0.249038
  (g-gl).g = 0.617E+01      g.g   = 0.626E+01  gl.gl    = 0.659E+01
 g(Force)  = 0.626E+01   g(Stress)= 0.000E+00 ortho     =-0.348E-01
 gamma     =   0.93701
 trial     =   0.28717
 opt step  =   0.33651  (harmonic =   0.33366) maximal distance =0.05507226
 next E    = -4566.904630   (d E  =  -1.02692)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   49(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.2660852E-01  (-0.2279159E+01)
 number of electron    2497.9999983 magnetization 
 augmentation part      162.5394466 magnetization 

  free energy =  -0.456685668428E+04  energy without entropy=  -0.456700752502E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   49(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3520
 total energy-change (2. order) :-0.4854016E-01  (-0.5826606E-01)
 number of electron    2497.9999983 magnetization 
 augmentation part      162.5491073 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8812
  0.8812

  free energy =  -0.456690522444E+04  energy without entropy=  -0.456705589315E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   49(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3680
 total energy-change (2. order) : 0.1337161E-02  (-0.1086205E-02)
 number of electron    2497.9999983 magnetization 
 augmentation part      162.5451523 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4323
  1.0892  1.7755

  free energy =  -0.456690388728E+04  energy without entropy=  -0.456705463312E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   49(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) :-0.5344475E-03  (-0.8568249E-03)
 number of electron    2497.9999983 magnetization 
 augmentation part      162.5386290 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2804
  2.1763  0.9202  0.7447

  free energy =  -0.456690442173E+04  energy without entropy=  -0.456705510480E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   49(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) :-0.1270894E-03  (-0.1806061E-03)
 number of electron    2497.9999983 magnetization 
 augmentation part      162.5406773 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3255
  2.3672  1.0188  1.0188  0.8972

  free energy =  -0.456690454882E+04  energy without entropy=  -0.456705530666E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   49(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3600
 total energy-change (2. order) : 0.6265641E-04  (-0.1041455E-03)
 number of electron    2497.9999983 magnetization 
 augmentation part      162.5423989 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2592
  2.4015  1.0741  1.0741  0.8732  0.8732

  free energy =  -0.456690448616E+04  energy without entropy=  -0.456705517903E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   49(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3496
 total energy-change (2. order) :-0.9700860E-05  (-0.1853394E-04)
 number of electron    2497.9999983 magnetization 
 augmentation part      162.5424552 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2417
  2.4305  0.9523  0.9523  1.2127  1.2127  0.6895

  free energy =  -0.456690449586E+04  energy without entropy=  -0.456705525979E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   49(   8)  ---------------------------------------



 eigenvalue-minimisations  :  2528
 total energy-change (2. order) : 0.2635963E-05  (-0.2516999E-05)
 number of electron    2497.9999983 magnetization 
 augmentation part      162.5424552 magnetization 

  free energy =  -0.456690449322E+04  energy without entropy=  -0.456705522183E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0680       2 -56.1777       3 -56.0971       4 -55.8270       5 -55.8371
       6 -56.3204       7 -58.1574       8 -58.2696       9 -56.3080      10 -55.9970
      11 -56.0651      12 -55.8380      13 -55.8328      14 -56.0267      15 -58.0995
      16 -58.1063      17 -56.3423      18 -54.9599      19 -54.8960      20 -55.1189
      21 -55.6327      22 -55.6492      23 -55.7118      24 -55.6083      25 -54.9177
      26 -54.8204      27 -54.9291      28 -54.8913      29 -60.3950      30 -60.3654
      31 -55.6622      32 -55.8480      33 -55.7449      34 -55.2936      35 -55.5006
      36 -55.9802      37 -57.8180      38 -58.0580      39 -56.0785      40 -55.8027
      41 -55.9228      42 -55.7146      43 -55.7497      44 -55.9117      45 -58.1110
      46 -58.1896      47 -56.4457      48 -55.1297      49 -54.9739      50 -55.2771
      51 -55.9042      52 -55.8637      53 -55.7403      54 -55.7012      55 -55.0607
      56 -54.8206      57 -54.9591      58 -56.3192      59 -60.3451      60 -60.6105
      61 -56.0497      62 -56.1111      63 -55.9814      64 -55.8048      65 -55.7767
      66 -56.2674      67 -58.1210      68 -58.1509      69 -56.2657      70 -55.9236
      71 -56.0352      72 -55.7479      73 -55.6917      74 -55.9354      75 -58.0766
      76 -58.1772      77 -56.4549      78 -55.0959      79 -54.9954      80 -55.2511
      81 -55.8266      82 -55.8506      83 -55.9046      84 -55.9161      85 -55.1635
      86 -55.0837      87 -55.2024      88 -56.4365      89 -60.7283      90 -60.4518
      91 -55.7321      92 -55.8580      93 -55.7587      94 -55.4862      95 -55.5620
      96 -56.0421      97 -57.8918      98 -58.0398      99 -56.1532     100 -55.9100
     101 -56.0314     102 -55.6696     103 -55.7222     104 -55.9529     105 -58.1287
     106 -58.2466     107 -56.4656     108 -55.1248     109 -54.9521     110 -55.3812
     111 -55.9500     112 -55.8493     113 -55.8150     114 -55.8112     115 -55.1484
     116 -54.9508     117 -55.0354     118 -56.3902     119 -60.4179     120 -60.6127
     121 -55.9366     122 -56.0074     123 -55.8774     124 -55.7473     125 -55.7647
     126 -56.1592     127 -58.0581     128 -58.1947     129 -56.0865     130 -55.7807
     131 -55.8852     132 -55.6460     133 -55.5837     134 -55.8205     135 -57.9363
     136 -57.9966     137 -56.4189     138 -55.0779     139 -54.9494     140 -55.2269
     141 -55.8203     142 -55.8465     143 -55.9480     144 -55.9323     145 -55.1863
     146 -55.1499     147 -55.2373     148 -56.4459     149 -60.6058     150 -60.5787
     151 -55.5772     152 -55.6326     153 -55.4774     154 -55.3019     155 -55.4130
     156 -55.8523     157 -57.8815     158 -57.8491     159 -55.9250     160 -55.6864
     161 -55.8452     162 -55.4751     163 -55.5370     164 -55.7597     165 -57.9807
     166 -58.1388     167 -56.4247     168 -55.0612     169 -54.8818     170 -55.2894
     171 -55.9389     172 -55.9040     173 -55.8020     174 -55.7308     175 -55.2861
     176 -54.7774     177 -54.9921     178 -56.4211     179 -60.4434     180 -60.6280
     181 -55.9411     182 -56.1343     183 -55.9699     184 -55.6944     185 -55.6964
     186 -56.2255     187 -58.0475     188 -58.2247     189 -56.2471     190 -55.8993
     191 -56.0433     192 -55.7632     193 -55.7308     194 -55.9638     195 -58.0889
     196 -58.2102     197 -56.4880     198 -55.0390     199 -54.9528     200 -55.2600
     201 -55.8764     202 -55.9420     203 -55.8732     204 -55.8180     205 -55.1047
     206 -55.2021     207 -55.1248     208 -56.4031     209 -60.7232     210 -60.5258
     211 -55.9572     212 -56.1135     213 -55.9669     214 -55.7270     215 -55.6930
     216 -56.2133     217 -58.0785     218 -58.2453     219 -56.1184     220 -55.8190
     221 -55.9239     222 -55.6022     223 -55.5115     224 -55.8206     225 -57.9781
     226 -58.1273     227 -56.5130     228 -55.1092     229 -55.0601     230 -55.2444
     231 -55.7534     232 -55.9513     233 -55.9560     234 -55.6869     235 -55.0228
     236 -55.1027     237 -55.1533     238 -56.4339     239 -60.3862     240 -60.3508
     241 -55.9636     242 -56.0088     243 -55.8898     244 -55.7469     245 -55.7753
     246 -56.1982     247 -58.0709     248 -58.1456     249 -56.1975     250 -55.8918
     251 -55.9896     252 -55.7500     253 -55.7280     254 -55.9155     255 -57.9743
     256 -58.1002     257 -56.3529     258 -55.0484     259 -54.8790     260 -55.1896
     261 -55.7752     262 -55.7917     263 -55.8623     264 -55.9453     265 -55.3415
     266 -54.9729     267 -55.1523     268 -56.4312     269 -60.6419     270 -60.3663
     271 -55.8928     272 -55.9716     273 -55.7895     274 -55.6892     275 -55.6646
     276 -56.0629     277 -58.0872     278 -58.1698     279 -55.9240     280 -55.6650
     281 -55.7492     282 -55.4965     283 -55.4546     284 -55.7606     285 -58.0149
     286 -58.0456     287 -56.3877     288 -54.9786     289 -54.9372     290 -55.2699
     291 -55.8768     292 -55.8529     293 -55.8218     294 -55.7746     295 -55.1144
     296 -54.9137     297 -55.0068     298 -56.3542     299 -60.3957     300 -60.5504
     301 -55.8794     302 -56.0236     303 -55.9158     304 -55.5934     305 -55.6329
     306 -56.1215     307 -58.0797     308 -58.2348     309 -56.1454     310 -55.8365
     311 -55.9835     312 -55.6976     313 -55.6571     314 -55.9060     315 -58.0303
     316 -58.0832     317 -56.4007     318 -55.0157     319 -54.8629     320 -55.2158
     321 -55.7873     322 -55.7569     323 -55.8935     324 -55.9020     325 -55.1682
     326 -55.1138     327 -55.2371     328 -56.4483     329 -60.6003     330 -60.4142
     331 -55.8088     332 -55.8232     333 -55.7197     334 -55.6289     335 -55.6183
     336 -56.0662     337 -57.9854     338 -57.9678     339 -55.9174     340 -55.5754
     341 -55.7190     342 -55.5495     343 -55.5427     344 -55.7389     345 -57.9760
     346 -57.9624     347 -56.3969     348 -54.9395     349 -54.9152     350 -55.2130
     351 -55.7861     352 -55.8028     353 -55.7735     354 -55.7392     355 -55.1890
     356 -54.8772     357 -54.9859     358 -56.3883     359 -60.4479     360 -60.5177
     361 -39.1367     362 -38.8168     363 -39.0098     364 -39.1188     365 -38.9745
     366 -38.7317     367 -38.1698     368 -37.9886     369 -38.0702     370 -38.1169
     371 -38.1936     372 -38.2451     373 -38.7881     374 -38.3187     375 -38.6665
     376 -38.8736     377 -38.8444     378 -38.7264     379 -38.1633     380 -38.1271
     381 -38.1985     382 -38.0394     383 -38.2715     384 -37.9825     385 -38.8545
     386 -38.7867     387 -38.8943     388 -38.8837     389 -38.8402     390 -38.5249
     391 -38.2957     392 -38.1489     393 -38.1811     394 -38.0937     395 -38.2425
     396 -38.2502     397 -38.7670     398 -38.4238     399 -38.7384     400 -38.8876
     401 -38.7257     402 -38.7411     403 -38.2259     404 -38.1519     405 -38.2812
     406 -38.1424     407 -38.0962     408 -38.0171     409 -38.7721     410 -38.7588
     411 -38.9854     412 -38.6981     413 -38.8761     414 -38.5725     415 -38.2732
     416 -38.1853     417 -38.1035     418 -38.1223     419 -38.2959     420 -38.3099
     421 -38.5372     422 -38.2527     423 -38.4866     424 -38.6529     425 -38.5271
     426 -38.5970     427 -38.2255     428 -38.0721     429 -38.2722     430 -38.2169
     431 -38.1412     432 -38.0334     433 -38.7871     434 -38.7697     435 -39.0228
     436 -38.7502     437 -38.9884     438 -38.6907     439 -38.4815     440 -38.0724
     441 -38.2565     442 -38.1638     443 -38.2228     444 -38.0893     445 -38.8533
     446 -38.7957     447 -38.9364     448 -38.7536     449 -38.7787     450 -38.3300
     451 -38.1584     452 -37.9050     453 -38.1431     454 -38.0054     455 -38.0311
     456 -38.0175     457 -38.9425     458 -38.6536     459 -38.8622     460 -38.8842
     461 -38.8452     462 -38.6364     463 -38.2535     464 -38.1966     465 -37.9814
     466 -38.5010     467 -38.1852     468 -38.1753     469 -38.9354     470 -38.7339
     471 -38.6891     472 -38.7772     473 -38.5107     474 -38.3336     475 -38.1457
     476 -37.9915     477 -38.1671     478 -38.0559     479 -38.1607     480 -37.9323
     481 -38.8559     482 -38.7462     483 -38.8778     484 -38.8563     485 -38.9157
     486 -38.7470     487 -38.2284     488 -38.1465     489 -38.1493     490 -38.2906
     491 -38.1898     492 -38.2413     493 -38.8687     494 -38.6041     495 -38.6744
     496 -38.6885     497 -38.5337     498 -38.4591     499 -38.1548     500 -37.9156
     501 -38.1509     502 -38.1370     503 -38.1578     504 -37.9609     505 -38.2707
     506 -41.1912     507 -71.6969     508 -71.6150     509 -71.4570     510 -71.6495
     511 -71.5944     512 -71.6421     513 -71.4459     514 -71.6558     515 -71.5955
     516 -71.4570     517 -71.3794     518 -71.4380     519 -71.5661     520 -71.6837
     521 -71.4982     522 -71.5145     523 -71.5800     524 -71.5237     525 -71.6571
     526 -71.4524     527 -71.6253     528 -71.5295     529 -71.2386     530 -71.5279
     531 -76.9331     532 -76.7744     533 -76.7596     534 -76.7026     535 -76.7108
     536 -76.4837     537 -76.9041     538 -76.7352     539 -76.6734     540 -76.6829
     541 -76.7890     542 -76.6818     543 -76.7146     544 -76.5368     545 -76.9262
     546 -76.7623     547 -76.8348     548 -76.7261     549 -76.6043     550 -76.5783
     551 -76.5166     552 -76.5483     553 -76.9053     554 -76.7456     555 -76.7645
     556 -76.7907     557 -76.8446     558 -76.7420     559 -76.8424     560 -76.7316
     561 -76.7573     562 -76.6152     563 -76.8249     564 -76.6729     565 -76.7665
     566 -76.5744     567 -76.7948     568 -76.7074     569 -76.7846     570 -76.6850
     571 -76.8877     572 -76.7284     573 -76.7010     574 -76.6894     575 -76.5883
     576 -76.5899     577 -76.6409     578 -76.5787     579 -82.2552     580 -82.3919
     581 -82.3971     582 -82.2680     583 -82.3061     584 -82.3060     585 -82.5055
     586 -82.5540     587 -82.4744     588 -82.1957     589 -82.1737     590 -82.3620
     591 -82.3747     592 -82.2791     593 -82.4284     594 -82.6118     595 -82.6937
     596 -82.6724     597 -82.5611     598 -82.4729     599 -82.5277     600 -82.3365
     601 -82.1515     602 -82.1608     603 -82.5708     604 -82.4352     605 -82.6232
     606 -82.3631     607 -82.3778     608 -82.5858     609 -82.6729     610 -82.3407
     611 -82.4960     612 -82.4000     613 -82.3119     614 -82.2959     615 -82.6064
     616 -82.4301     617 -82.4127     618 -82.7093     619 -82.8908     620 -82.6547
     621 -82.2380     622 -82.2990     623 -82.4635     624 -82.2242     625 -82.5200
     626 -82.2589     627 -82.1275     628 -82.3054     629 -82.3194     630 -82.4567
     631 -82.5566     632 -82.5176     633 -82.4354     634 -82.5150     635 -82.3994
     636 -82.2745     637 -82.3892     638 -82.2374     639 -82.2813     640 -82.3166
     641 -82.3783     642 -82.3708     643 -82.5469     644 -82.4974     645 -82.4091
     646 -82.4693     647 -82.4967     648 -82.3458     649 -82.3460     650 -82.2782
 
 
 
 E-fermi :  -1.4630     XC(G=0):  -6.4798     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
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      2     -28.9999      2.00000
      3     -28.9965      2.00000
      4     -28.9524      2.00000
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     10     -28.8647      2.00000
     11     -28.8375      2.00000
     12     -28.8368      2.00000
     13     -28.8276      2.00000
     14     -28.8016      2.00000
     15     -28.7348      2.00000
     16     -28.7223      2.00000
     17     -28.6900      2.00000
     18     -28.6847      2.00000
     19     -28.6571      2.00000
     20     -28.6306      2.00000
     21     -28.6029      2.00000
     22     -28.6010      2.00000
     23     -28.5864      2.00000
     24     -28.5113      2.00000
     25     -26.9221      2.00000
     26     -26.8743      2.00000
     27     -26.7767      2.00000
     28     -26.7379      2.00000
     29     -26.6886      2.00000
     30     -26.6796      2.00000
     31     -26.6368      2.00000
     32     -26.6355      2.00000
     33     -26.6072      2.00000
     34     -26.5955      2.00000
     35     -26.5841      2.00000
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     39     -26.5550      2.00000
     40     -26.5353      2.00000
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     46     -26.4717      2.00000
     47     -26.4445      2.00000
     48     -26.4431      2.00000
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     50     -26.4356      2.00000
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     65     -26.3058      2.00000
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     68     -26.2486      2.00000
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     70     -26.2239      2.00000
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     73     -23.3433      2.00000
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   1106      -3.7756      2.00000
   1107      -3.7464      2.00000
   1108      -3.7345      2.00000
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   1110      -3.7073      2.00000
   1111      -3.7034      2.00000
   1112      -3.6764      2.00000
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   1114      -3.5941      2.00000
   1115      -3.5782      2.00000
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   1118      -3.4785      2.00000
   1119      -3.4187      2.00000
   1120      -3.3897      2.00000
   1121      -3.3614      2.00000
   1122      -3.3540      2.00000
   1123      -3.3408      2.00000
   1124      -3.3015      2.00000
   1125      -3.2565      2.00000
   1126      -3.2482      2.00000
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   1128      -3.2222      2.00000
   1129      -3.1745      2.00000
   1130      -3.1668      2.00000
   1131      -3.1599      2.00000
   1132      -3.1188      2.00000
   1133      -3.1092      2.00000
   1134      -3.0947      2.00000
   1135      -3.0817      2.00000
   1136      -3.0696      2.00000
   1137      -3.0564      2.00000
   1138      -3.0482      2.00000
   1139      -3.0341      2.00000
   1140      -3.0325      2.00000
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   1154      -2.9300      2.00000
   1155      -2.9283      2.00000
   1156      -2.9221      2.00000
   1157      -2.9137      2.00000
   1158      -2.9093      2.00000
   1159      -2.9052      2.00000
   1160      -2.8927      2.00000
   1161      -2.8829      2.00000
   1162      -2.8633      2.00000
   1163      -2.8587      2.00000
   1164      -2.8500      2.00000
   1165      -2.8444      2.00000
   1166      -2.8357      2.00000
   1167      -2.8298      2.00000
   1168      -2.8150      2.00000
   1169      -2.8098      2.00000
   1170      -2.7870      2.00000
   1171      -2.7380      2.00000
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   1173      -2.7313      2.00000
   1174      -2.7193      2.00000
   1175      -2.7066      2.00000
   1176      -2.6932      2.00000
   1177      -2.6672      2.00000
   1178      -2.6653      2.00000
   1179      -2.6452      2.00000
   1180      -2.6139      2.00000
   1181      -2.6087      2.00000
   1182      -2.5997      2.00000
   1183      -2.5927      2.00000
   1184      -2.5798      2.00000
   1185      -2.5738      2.00000
   1186      -2.5629      2.00000
   1187      -2.5574      2.00000
   1188      -2.5485      2.00000
   1189      -2.5391      2.00000
   1190      -2.5300      2.00000
   1191      -2.5201      2.00000
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   1193      -2.4959      2.00000
   1194      -2.4845      2.00000
   1195      -2.4739      2.00000
   1196      -2.4706      2.00000
   1197      -2.4631      2.00000
   1198      -2.4562      2.00000
   1199      -2.4511      2.00000
   1200      -2.4465      2.00000
   1201      -2.4416      2.00000
   1202      -2.4376      2.00000
   1203      -2.4323      2.00000
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   1205      -2.4125      2.00000
   1206      -2.4090      2.00000
   1207      -2.4088      2.00000
   1208      -2.4069      2.00000
   1209      -2.3947      2.00000
   1210      -2.3946      2.00000
   1211      -2.3915      2.00000
   1212      -2.3835      2.00000
   1213      -2.3720      2.00000
   1214      -2.3661      2.00000
   1215      -2.3554      2.00000
   1216      -2.3467      2.00000
   1217      -2.3414      2.00000
   1218      -2.3365      2.00000
   1219      -2.3325      2.00000
   1220      -2.3220      2.00000
   1221      -2.3170      2.00000
   1222      -2.3148      2.00000
   1223      -2.3091      2.00000
   1224      -2.2919      2.00000
   1225      -2.2785      2.00000
   1226      -2.2646      2.00000
   1227      -2.2614      2.00000
   1228      -2.2558      2.00000
   1229      -2.2292      2.00000
   1230      -2.2243      2.00000
   1231      -2.2172      2.00000
   1232      -2.1986      2.00000
   1233      -2.1892      2.00000
   1234      -2.1872      2.00000
   1235      -2.1698      2.00001
   1236      -2.1515      2.00001
   1237      -2.1319      2.00002
   1238      -1.7960      2.04019
   1239      -1.7233      2.06928
   1240      -1.7082      2.07092
   1241      -1.6985      2.07018
   1242      -1.6682      2.05521
   1243      -1.6616      2.04874
   1244      -1.6440      2.02444
   1245      -1.6259      1.98720
   1246      -1.6145      1.95653
   1247      -1.6120      1.94922
   1248      -1.5935      1.88408
   1249      -1.5839      1.84394
   1250       0.0689     -0.00000
   1251       0.1365     -0.00000
   1252       0.1548     -0.00000
   1253       0.1736     -0.00000
   1254       0.1884     -0.00000
   1255       0.1990     -0.00000
   1256       0.2428     -0.00000
   1257       0.2932     -0.00000
   1258       0.3014     -0.00000
   1259       0.3132     -0.00000
   1260       0.3342     -0.00000
   1261       0.5092     -0.00000
   1262       0.5610     -0.00000
   1263       0.6034     -0.00000
   1264       0.6370     -0.00000
   1265       0.6694     -0.00000
   1266       0.6903     -0.00000
   1267       0.7052     -0.00000
   1268       0.7117     -0.00000
   1269       0.7480     -0.00000
   1270       0.7535     -0.00000
   1271       0.7639     -0.00000
   1272       0.7712     -0.00000
   1273       0.8138     -0.00000
   1274       0.8701     -0.00000
   1275       0.8862     -0.00000
   1276       0.8917     -0.00000
   1277       0.9250     -0.00000
   1278       0.9429     -0.00000
   1279       0.9517     -0.00000
   1280       0.9904     -0.00000
   1281       1.0150     -0.00000
   1282       1.0588     -0.00000
   1283       1.0876     -0.00000
   1284       1.1244     -0.00000
   1285       1.1553     -0.00000
   1286       1.2075     -0.00000
   1287       1.2435     -0.00000
   1288       1.3216     -0.00000
   1289       1.3325     -0.00000
   1290       1.3756     -0.00000
   1291       1.4479     -0.00000
   1292       1.5194     -0.00000
   1293       1.5398     -0.00000
   1294       1.5597     -0.00000
   1295       1.5907     -0.00000
   1296       1.6460     -0.00000
   1297       1.6697     -0.00000
   1298       1.8105     -0.00000
   1299       1.8323     -0.00000
   1300       1.8611     -0.00000
   1301       1.8788     -0.00000
   1302       1.8937     -0.00000
   1303       1.9146     -0.00000
   1304       1.9800     -0.00000
   1305       1.9891     -0.00000
   1306       2.0325     -0.00000
   1307       2.0534     -0.00000
   1308       2.0617     -0.00000
   1309       2.0920     -0.00000
   1310       2.1003     -0.00000
   1311       2.1266     -0.00000
   1312       2.1289     -0.00000
   1313       2.1509     -0.00000
   1314       2.1591     -0.00000
   1315       2.1908     -0.00000
   1316       2.2016     -0.00000
   1317       2.2203     -0.00000
   1318       2.2286     -0.00000
   1319       2.2369     -0.00000
   1320       2.3134     -0.00000
   1321       2.3267     -0.00000
   1322       2.3612     -0.00000
   1323       2.4013     -0.00000
   1324       2.4177     -0.00000
   1325       2.4605     -0.00000
   1326       2.4833     -0.00000
   1327       2.4858     -0.00000
   1328       2.4947     -0.00000
   1329       2.5079     -0.00000
   1330       2.5272     -0.00000
   1331       2.5397     -0.00000
   1332       2.5605     -0.00000
   1333       2.5701     -0.00000
   1334       2.5842     -0.00000
   1335       2.5910     -0.00000
   1336       2.5925     -0.00000
   1337       2.6333     -0.00000
   1338       2.6479     -0.00000
   1339       2.6563     -0.00000
   1340       2.6700     -0.00000
   1341       2.6763     -0.00000
   1342       2.6833     -0.00000
   1343       2.7157     -0.00000
   1344       2.7458     -0.00000
   1345       2.8140     -0.00000
   1346       2.9517     -0.00000
   1347       2.9949     -0.00000
   1348       3.0108     -0.00000
   1349       3.0263     -0.00000
   1350       3.0357     -0.00000
   1351       3.0581     -0.00000
   1352       3.0649     -0.00000
   1353       3.1022     -0.00000
   1354       3.1209     -0.00000
   1355       3.1410     -0.00000
   1356       3.1587     -0.00000
   1357       3.1729     -0.00000
   1358       3.2023     -0.00000
   1359       3.2274     -0.00000
   1360       3.2397     -0.00000
   1361       3.2909     -0.00000
   1362       3.3927     -0.00000
   1363       3.4617     -0.00000
   1364       3.5078     -0.00000
   1365       3.5957     -0.00000
   1366       3.6342     -0.00000
   1367       3.6724     -0.00000
   1368       3.6942     -0.00000
   1369       3.7450     -0.00000
   1370       3.7475     -0.00000
   1371       3.7764     -0.00000
   1372       3.8091     -0.00000
   1373       3.8255     -0.00000
   1374       3.8452     -0.00000
   1375       3.8599     -0.00000
   1376       3.8742      0.00000
   1377       3.8870      0.00000
   1378       3.8974      0.00000
   1379       3.9145      0.00000
   1380       3.9256      0.00000
   1381       3.9483      0.00000
   1382       3.9514      0.00000
   1383       3.9661      0.00000
   1384       3.9780      0.00000
   1385       3.9955      0.00000
   1386       4.0010      0.00000
   1387       4.0200      0.00000
   1388       4.0301      0.00000
   1389       4.0453      0.00000
   1390       4.0525      0.00000
   1391       4.0728      0.00000
   1392       4.0829      0.00000
   1393       4.0924      0.00000
   1394       4.1019      0.00000
   1395       4.1172      0.00000
   1396       4.1238      0.00000
   1397       4.1308      0.00000
   1398       4.1423      0.00000
   1399       4.1664      0.00000
   1400       4.1816      0.00000
   1401       4.1972      0.00000
   1402       4.2141      0.00000
   1403       4.2351      0.00000
   1404       4.2383      0.00000
   1405       4.2523      0.00000
   1406       4.2604      0.00000
   1407       4.2732      0.00000
   1408       4.2809      0.00000
   1409       4.3014      0.00000
   1410       4.3155      0.00000
   1411       4.3207      0.00000
   1412       4.3336      0.00000
   1413       4.3460      0.00000
   1414       4.3745      0.00000
   1415       4.3954      0.00000
   1416       4.3976      0.00000
   1417       4.4081      0.00000
   1418       4.4184      0.00000
   1419       4.4354      0.00000
   1420       4.4549      0.00000
   1421       4.4611      0.00000
   1422       4.4803      0.00000
   1423       4.4872      0.00000
   1424       4.4989      0.00000
   1425       4.5364      0.00000
   1426       4.5550      0.00000
   1427       4.5724      0.00000
   1428       4.5885      0.00000
   1429       4.5903      0.00000
   1430       4.6331      0.00000
   1431       4.6473      0.00000
   1432       4.6723      0.00000
   1433       4.6899      0.00000
   1434       4.7049      0.00000
   1435       4.7556      0.00000
   1436       4.7899      0.00000
   1437       4.7982      0.00000
   1438       4.8160      0.00000
   1439       4.8388      0.00000
   1440       4.8531      0.00000
   1441       4.8637      0.00000
   1442       4.8807      0.00000
   1443       4.8956      0.00000
   1444       4.9299      0.00000
   1445       4.9469      0.00000
   1446       4.9591      0.00000
   1447       4.9728      0.00000
   1448       4.9867      0.00000
   1449       5.0011      0.00000
   1450       5.0172      0.00000
   1451       5.0231      0.00000
   1452       5.0380      0.00000
   1453       5.0661      0.00000
   1454       5.0847      0.00000
   1455       5.0944      0.00000
   1456       5.1121      0.00000
   1457       5.1239      0.00000
   1458       5.1351      0.00000
   1459       5.1379      0.00000
   1460       5.1552      0.00000
   1461       5.1689      0.00000
   1462       5.2115      0.00000
   1463       5.2175      0.00000
   1464       5.2222      0.00000
   1465       5.2362      0.00000
   1466       5.2442      0.00000
   1467       5.2518      0.00000
   1468       5.2638      0.00000
   1469       5.2771      0.00000
   1470       5.2821      0.00000
   1471       5.2973      0.00000
   1472       5.3164      0.00000
   1473       5.3209      0.00000
   1474       5.3444      0.00000
   1475       5.3507      0.00000
   1476       5.3632      0.00000
   1477       5.3717      0.00000
   1478       5.3801      0.00000
   1479       5.3913      0.00000
   1480       5.3991      0.00000
   1481       5.4036      0.00000
   1482       5.4062      0.00000
   1483       5.4195      0.00000
   1484       5.4339      0.00000
   1485       5.4470      0.00000
   1486       5.4549      0.00000
   1487       5.4628      0.00000
   1488       5.4695      0.00000
   1489       5.4754      0.00000
   1490       5.4875      0.00000
   1491       5.4903      0.00000
   1492       5.5103      0.00000
   1493       5.5207      0.00000
   1494       5.5248      0.00000
   1495       5.5327      0.00000
   1496       5.5476      0.00000
   1497       5.5617      0.00000
   1498       5.5624      0.00000
   1499       5.5667      0.00000
   1500       5.5786      0.00000
   1501       5.5848      0.00000
   1502       5.6021      0.00000
   1503       5.6105      0.00000
   1504       5.6195      0.00000
   1505       5.6373      0.00000
   1506       5.6481      0.00000
   1507       5.6554      0.00000
   1508       5.6622      0.00000
   1509       5.6720      0.00000
   1510       5.6864      0.00000
   1511       5.6896      0.00000
   1512       5.6939      0.00000
   1513       5.6969      0.00000
   1514       5.7098      0.00000
   1515       5.7183      0.00000
   1516       5.7366      0.00000
   1517       5.7473      0.00000
   1518       5.7548      0.00000
   1519       5.7715      0.00000
   1520       5.7824      0.00000
   1521       5.7850      0.00000
   1522       5.7957      0.00000
   1523       5.8046      0.00000
   1524       5.8116      0.00000
   1525       5.8220      0.00000
   1526       5.8336      0.00000
   1527       5.8393      0.00000
   1528       5.8593      0.00000
   1529       5.8637      0.00000
   1530       5.8751      0.00000
   1531       5.8868      0.00000
   1532       5.8979      0.00000
   1533       5.9074      0.00000
   1534       5.9164      0.00000
   1535       5.9234      0.00000
   1536       5.9302      0.00000
   1537       5.9366      0.00000
   1538       5.9477      0.00000
   1539       5.9537      0.00000
   1540       5.9645      0.00000
   1541       5.9772      0.00000
   1542       5.9822      0.00000
   1543       5.9933      0.00000
   1544       5.9966      0.00000
   1545       6.0130      0.00000
   1546       6.0193      0.00000
   1547       6.0262      0.00000
   1548       6.0280      0.00000
   1549       6.0357      0.00000
   1550       6.0450      0.00000
   1551       6.0602      0.00000
   1552       6.0608      0.00000
   1553       6.0806      0.00000
   1554       6.0882      0.00000
   1555       6.0946      0.00000
   1556       6.1072      0.00000
   1557       6.1195      0.00000
   1558       6.1260      0.00000
   1559       6.1419      0.00000
   1560       6.1483      0.00000
   1561       6.1507      0.00000
   1562       6.1646      0.00000
   1563       6.1694      0.00000
   1564       6.1727      0.00000
   1565       6.1848      0.00000
   1566       6.1903      0.00000
   1567       6.2000      0.00000
   1568       6.2069      0.00000
   1569       6.2146      0.00000
   1570       6.2183      0.00000
   1571       6.2360      0.00000
   1572       6.2385      0.00000
   1573       6.2528      0.00000
   1574       6.2614      0.00000
   1575       6.2676      0.00000
   1576       6.2693      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.090  13.415  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.415  17.835  -0.001   0.002  -0.000   0.003  -0.005   0.000
 -0.001  -0.001  -4.234   0.003   0.001   8.282  -0.004  -0.001
  0.001   0.002   0.003  -4.234   0.001  -0.004   8.281  -0.001
 -0.000  -0.000   0.001   0.001  -4.227  -0.001  -0.001   8.272
  0.002   0.003   8.282  -0.004  -0.001 -18.328   0.007   0.002
 -0.004  -0.005  -0.004   8.281  -0.001   0.007 -18.324  -0.000
  0.000   0.000  -0.001  -0.001   8.272   0.002  -0.000 -18.317
 total augmentation occupancy for first ion, spin component:           1
  8.497  -3.831   0.169   0.125  -0.041   0.021   0.024  -0.007
 -3.831   1.800  -0.085  -0.086   0.023  -0.009  -0.014   0.004
  0.169  -0.085   1.787  -0.065  -0.040   0.169  -0.011  -0.008
  0.125  -0.086  -0.065   1.906  -0.077  -0.011   0.178  -0.010
 -0.041   0.023  -0.040  -0.077   1.222  -0.008  -0.010   0.080
  0.021  -0.009   0.169  -0.011  -0.008   0.018  -0.002  -0.001
  0.024  -0.014  -0.011   0.178  -0.010  -0.002   0.018  -0.001
 -0.007   0.004  -0.008  -0.010   0.080  -0.001  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -51838.47566 98163.16276 26329.77425-11682.41785  6762.09187 21371.91972
  Hartree  3642.92134125055.02962 64472.31068-12038.66328  4713.40721 15774.15694
  E(xc)  -10732.34639-10585.91522-10629.28845     2.63021     8.09527    31.89664
  Local   14776.82953************************ 23709.74323-11499.93673-36575.27842
  n-local -5844.75889 -5970.30757 -6029.61961     3.53432    16.77393   -61.68782
  augment  1493.03743  1535.97894  1486.90234     5.53918    13.12553    -2.38483
  Kinetic 45509.08351 43191.11386 43679.90545   -20.34848   -71.79278  -549.95696
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -85.8504086   -448.1467218   -147.1626857    -19.9826730    -58.2356965    -11.3347272
  in kB      -14.3162428    -74.7320530    -24.5405558     -3.3322707     -9.7112685     -1.8901565
  external PRESSURE =     -37.8629505 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.244E+03 -.116E+03 0.249E+03   0.244E+03 0.116E+03 -.251E+03   -.971E-01 -.591E+00 0.135E+01   0.239E-03 0.270E-03 0.702E-03
   -.203E+03 -.140E+03 0.573E+02   0.203E+03 0.141E+03 -.569E+02   0.131E+00 -.131E+01 -.398E+00   0.304E-03 0.518E-03 0.590E-03
   -.172E+03 -.126E+03 0.263E+01   0.172E+03 0.127E+03 -.989E+00   0.333E+00 -.138E+01 -.165E+01   0.630E-03 0.307E-03 0.409E-03
   -.226E+03 -.102E+03 0.345E+03   0.226E+03 0.102E+03 -.347E+03   -.129E+00 0.108E+00 0.249E+01   0.724E-03 0.383E-03 0.416E-03
   -.177E+03 -.150E+03 0.306E+03   0.177E+03 0.151E+03 -.308E+03   0.135E+00 -.706E+00 0.115E+01   0.661E-03 0.638E-03 0.594E-03
   -.158E+03 -.113E+03 0.170E+03   0.158E+03 0.113E+03 -.170E+03   0.143E+00 -.351E-01 0.132E+00   0.596E-03 0.333E-03 0.586E-03
   -.247E+03 -.130E+03 0.188E+03   0.247E+03 0.133E+03 -.189E+03   0.697E+00 -.445E+01 0.959E+00   -.619E-03 0.141E-02 0.113E-02
   -.185E+03 -.120E+03 0.337E+02   0.186E+03 0.125E+03 -.357E+02   -.398E+00 -.416E+01 0.198E+01   -.175E-03 0.883E-03 0.137E-02
   -.117E+03 0.541E+01 0.198E+03   0.117E+03 -.537E+01 -.198E+03   -.197E-01 0.142E+00 0.924E-01   0.447E-03 -.188E-03 0.167E-03
   -.883E+02 0.878E+02 0.643E+02   0.878E+02 -.893E+02 -.632E+02   0.524E+00 0.152E+01 -.116E+01   0.597E-03 -.712E-03 -.478E-04
   -.989E+02 0.109E+03 0.139E+03   0.986E+02 -.111E+03 -.139E+03   0.263E+00 0.109E+01 0.760E-01   0.104E-03 -.861E-03 -.144E-03
   -.116E+03 0.741E+00 0.335E+03   0.116E+03 -.103E+01 -.337E+03   -.131E+00 0.263E+00 0.121E+01   -.593E-04 -.106E-03 -.279E-03
   -.118E+03 -.366E+02 0.368E+03   0.118E+03 0.376E+02 -.370E+03   0.571E-01 -.109E+01 0.221E+01   -.383E-03 -.515E-03 -.676E-03
   -.128E+03 0.290E+02 0.309E+03   0.128E+03 -.291E+02 -.310E+03   -.384E+00 0.142E+00 0.146E+01   -.242E-03 -.673E-03 -.317E-03
   -.119E+03 0.108E+03 0.275E+03   0.118E+03 -.111E+03 -.278E+03   0.633E+00 0.407E+01 0.226E+01   -.297E-03 -.563E-03 -.618E-03
   -.914E+02 0.121E+03 0.107E+03   0.912E+02 -.124E+03 -.111E+03   0.265E+00 0.308E+01 0.348E+01   -.666E-04 -.110E-02 -.778E-03
   -.852E+02 0.114E+03 0.602E+02   0.856E+02 -.109E+03 -.558E+02   -.405E+00 -.462E+01 -.401E+01   0.507E-04 -.551E-03 -.108E-03
   -.162E+02 0.203E+03 -.153E+03   0.155E+02 -.205E+03 0.156E+03   0.670E+00 0.182E+01 -.188E+01   0.256E-03 -.130E-02 0.875E-03
   0.198E+02 0.155E+03 -.202E+03   -.199E+02 -.155E+03 0.203E+03   0.252E+00 0.259E+00 -.202E+01   0.416E-03 -.741E-03 0.976E-03
   -.772E+02 0.119E+03 0.184E+03   0.782E+02 -.118E+03 -.187E+03   -.102E+01 -.879E+00 0.301E+01   0.180E-03 0.216E-04 0.225E-04
   -.937E+01 0.755E+02 -.471E+01   0.819E+01 -.771E+02 0.604E+01   0.113E+01 0.142E+01 -.124E+01   -.123E-03 -.492E-03 -.276E-03
   -.717E+01 0.137E+02 -.138E+03   0.721E+01 -.138E+02 0.139E+03   0.219E+00 0.316E+00 -.841E+00   0.173E-04 -.174E-03 0.377E-03
   -.503E+02 -.296E+02 -.178E+03   0.507E+02 0.298E+02 0.178E+03   -.323E+00 -.426E+00 0.671E+00   -.108E-03 -.799E-04 0.687E-03
   -.527E+02 -.657E+02 -.238E+03   0.539E+02 0.672E+02 0.237E+03   -.129E+01 -.174E+01 0.120E+01   -.200E-03 -.105E-03 0.580E-03
   -.309E+02 -.156E+03 -.348E+03   0.304E+02 0.156E+03 0.350E+03   0.334E+00 -.714E+00 -.176E+01   -.169E-03 0.414E-03 0.386E-03
   -.117E+03 -.166E+03 -.162E+03   0.117E+03 0.166E+03 0.160E+03   -.915E+00 -.242E+00 0.191E+01   0.119E-03 0.270E-03 0.107E-02
   -.967E+02 -.286E+03 -.194E+03   0.970E+02 0.286E+03 0.194E+03   -.282E+00 -.808E+00 0.697E+00   0.210E-03 0.498E-03 0.902E-03
   -.502E+02 -.266E+03 -.302E+03   0.503E+02 0.268E+03 0.302E+03   -.794E-01 -.135E+01 -.302E+00   0.160E-04 0.659E-03 0.493E-03
   -.559E+02 -.207E+02 -.227E+03   0.619E+02 0.286E+02 0.222E+03   -.602E+01 -.776E+01 0.500E+01   -.702E-04 -.120E-03 0.603E-04
   -.859E+01 0.510E+02 0.226E+02   0.313E+01 -.594E+02 -.175E+02   0.507E+01 0.849E+01 -.480E+01   -.187E-02 0.115E-03 -.168E-02
   -.220E+03 -.271E+02 -.411E+02   0.220E+03 0.272E+02 0.428E+02   -.285E+00 -.252E+00 -.154E+01   0.223E-03 0.325E-03 0.306E-03
   -.150E+03 -.151E+03 0.137E+03   0.150E+03 0.153E+03 -.136E+03   0.101E+00 -.141E+01 -.342E+00   -.304E-03 -.410E-04 0.586E-03
   -.163E+03 -.154E+03 0.181E+03   0.163E+03 0.156E+03 -.182E+03   0.713E-01 -.175E+01 0.100E+01   -.537E-03 0.723E-04 0.313E-03
   -.319E+03 0.739E+01 -.164E+03   0.319E+03 -.919E+01 0.167E+03   0.262E+00 0.198E+01 -.274E+01   0.885E-03 0.162E-03 -.556E-03
   -.304E+03 -.685E+02 -.189E+03   0.304E+03 0.685E+02 0.191E+03   0.189E+00 0.110E-01 -.130E+01   0.770E-03 0.342E-04 -.724E-03
   -.228E+03 -.705E+02 -.486E+01   0.228E+03 0.703E+02 0.495E+01   0.358E+00 0.115E+00 -.836E-01   0.839E-04 -.170E-03 0.197E-03
   -.126E+03 -.544E+02 -.725E+01   0.127E+03 0.580E+02 0.101E+02   -.929E+00 -.401E+01 -.272E+01   -.260E-03 0.148E-04 0.549E-03
   -.776E+02 -.145E+03 0.114E+03   0.780E+02 0.148E+03 -.110E+03   -.429E+00 -.316E+01 -.377E+01   -.391E-03 0.145E-03 0.994E-03
   -.202E+03 0.459E+02 -.142E+02   0.202E+03 -.461E+02 0.142E+02   0.949E-01 0.266E+00 -.937E-01   -.988E-04 -.451E-03 0.844E-04
   -.118E+03 0.580E+02 0.194E+03   0.118E+03 -.591E+02 -.196E+03   0.198E+00 0.122E+01 0.180E+01   -.731E-03 -.495E-03 -.228E-03
   -.823E+02 0.810E+02 0.107E+03   0.823E+02 -.824E+02 -.108E+03   0.151E+00 0.139E+01 0.326E+00   -.593E-03 -.676E-03 -.183E-03
   -.232E+03 0.860E+02 -.232E+03   0.232E+03 -.868E+02 0.232E+03   0.122E+00 0.898E+00 -.986E+00   0.379E-03 -.337E-03 -.271E-03
   -.193E+03 0.429E+02 -.305E+03   0.193E+03 -.431E+02 0.307E+03   -.417E-01 0.700E-01 -.218E+01   0.264E-03 -.801E-03 -.506E-04
   -.121E+03 0.606E+02 -.160E+03   0.122E+03 -.613E+02 0.162E+03   -.174E+00 0.957E+00 -.122E+01   -.217E-03 -.582E-03 -.361E-04
   -.675E+02 0.103E+03 -.105E+03   0.673E+02 -.107E+03 0.107E+03   0.455E-01 0.476E+01 -.613E+00   -.434E-03 -.110E-02 -.575E-03
   -.286E+02 0.898E+02 0.129E+03   0.281E+02 -.944E+02 -.126E+03   0.306E+00 0.441E+01 -.192E+01   -.812E-03 -.945E-03 -.412E-03
   0.220E+02 0.527E+02 0.966E+02   -.204E+02 -.468E+02 -.985E+02   -.175E+01 -.544E+01 0.192E+01   -.901E-03 0.459E-03 -.368E-03
   -.109E+02 0.130E+03 0.277E+03   0.120E+02 -.132E+03 -.279E+03   -.975E+00 0.125E+01 0.256E+01   -.952E-03 0.278E-03 -.918E-03
   -.404E+02 0.128E+03 0.241E+03   0.413E+02 -.128E+03 -.243E+03   -.100E+01 -.334E+00 0.195E+01   -.920E-03 0.455E-03 -.924E-03
   0.441E+02 0.757E+02 -.526E+02   -.451E+02 -.758E+02 0.557E+02   0.107E+01 0.293E+00 -.307E+01   -.122E-02 0.503E-03 -.436E-03
   0.555E+01 0.297E+02 0.280E+02   -.520E+01 -.309E+02 -.301E+02   -.469E+00 0.105E+01 0.212E+01   -.104E-02 0.344E-03 -.331E-03
   -.173E+02 0.154E+02 0.909E+02   0.178E+02 -.151E+02 -.918E+02   -.551E+00 -.132E+00 0.852E+00   -.821E-03 0.252E-03 -.554E-03
   -.838E+02 0.689E+01 0.420E+02   0.837E+02 -.707E+01 -.413E+02   -.508E-02 0.144E+00 -.634E+00   -.688E-03 0.153E-03 -.410E-03
   -.170E+03 -.152E+02 0.988E+02   0.169E+03 0.161E+02 -.974E+02   0.762E+00 -.926E+00 -.187E+01   -.632E-03 -.200E-03 -.286E-03
   -.261E+03 -.723E+02 0.170E+03   0.263E+03 0.722E+02 -.173E+03   -.150E+01 -.254E+00 0.298E+01   -.217E-03 -.249E-03 0.506E-04
   -.873E+02 -.115E+03 -.119E+03   0.870E+02 0.114E+03 0.121E+03   0.490E+00 0.429E+00 -.168E+01   -.713E-03 0.365E-03 0.361E-04
   -.117E+03 -.123E+03 -.164E+03   0.117E+03 0.124E+03 0.167E+03   0.852E+00 -.119E+01 -.278E+01   -.481E-03 0.470E-03 0.693E-03
   -.191E+03 -.561E+02 0.308E+02   0.190E+03 0.499E+02 -.288E+02   0.107E+01 0.602E+01 -.205E+01   -.287E-03 0.173E-03 0.271E-03
   -.202E+03 0.206E+02 0.148E+03   0.199E+03 -.144E+02 -.139E+03   0.300E+01 -.597E+01 -.854E+01   -.130E-02 -.511E-03 -.121E-02
   -.506E+02 0.249E+01 -.468E+02   0.523E+02 -.923E+01 0.381E+02   -.179E+01 0.653E+01 0.876E+01   -.112E-02 0.280E-03 0.594E-03
   -.369E+03 -.776E+02 0.832E+02   0.369E+03 0.784E+02 -.846E+02   0.141E+00 -.551E+00 0.129E+01   -.134E-03 0.117E-02 0.648E-03
   -.371E+03 -.106E+03 -.876E+02   0.371E+03 0.107E+03 0.880E+02   0.158E+00 -.143E+01 -.484E+00   0.278E-03 0.979E-03 -.120E-03
   -.339E+03 -.919E+02 -.134E+03   0.340E+03 0.929E+02 0.136E+03   0.645E-01 -.135E+01 -.159E+01   0.105E-02 0.145E-02 -.283E-03
   -.314E+03 -.646E+02 0.168E+03   0.314E+03 0.644E+02 -.171E+03   -.231E+00 -.158E+00 0.225E+01   0.455E-03 0.216E-02 0.660E-03
   -.260E+03 -.114E+03 0.129E+03   0.260E+03 0.115E+03 -.130E+03   0.825E-01 -.598E+00 0.103E+01   0.826E-03 0.111E-02 0.459E-03
   -.282E+03 -.828E+02 0.609E+00   0.282E+03 0.829E+02 -.679E+00   0.742E-01 -.784E-01 0.463E-01   0.103E-02 0.100E-02 -.239E-03
   -.384E+03 -.101E+03 0.182E+02   0.384E+03 0.105E+03 -.198E+02   0.454E+00 -.447E+01 0.872E+00   -.141E-02 0.379E-02 0.198E-02
   -.378E+03 -.997E+02 -.621E+02   0.379E+03 0.104E+03 0.617E+02   -.661E+00 -.438E+01 0.198E+01   0.564E-04 0.251E-02 -.154E-02
   -.238E+03 0.430E+02 0.234E+02   0.238E+03 -.430E+02 -.235E+02   -.452E-01 0.178E+00 0.912E-01   0.982E-03 -.385E-03 -.166E-03
   -.261E+03 0.117E+03 -.734E+02   0.260E+03 -.118E+03 0.746E+02   0.147E+00 0.167E+01 -.107E+01   0.128E-02 -.822E-03 -.303E-03
   -.259E+03 0.133E+03 -.138E+01   0.258E+03 -.135E+03 0.120E+01   0.192E+00 0.142E+01 0.108E+00   0.818E-03 -.997E-03 -.301E-03
   -.183E+03 0.418E+02 0.128E+03   0.183E+03 -.422E+02 -.129E+03   -.188E+00 0.271E+00 0.116E+01   0.526E-03 -.105E-02 0.393E-03
   -.175E+03 -.107E+02 0.139E+03   0.175E+03 0.117E+02 -.142E+03   -.133E-01 -.111E+01 0.250E+01   0.261E-03 -.155E-02 0.560E-03
   -.235E+03 0.366E+02 0.121E+03   0.235E+03 -.369E+02 -.122E+03   -.136E+00 0.205E+00 0.147E+01   0.375E-03 -.131E-02 0.160E-03
   -.250E+03 0.918E+02 0.112E+03   0.249E+03 -.953E+02 -.115E+03   0.495E+00 0.404E+01 0.220E+01   0.215E-03 -.158E-02 0.504E-03
   -.279E+03 0.145E+03 0.691E+02   0.279E+03 -.149E+03 -.721E+02   0.165E+00 0.329E+01 0.354E+01   0.492E-03 -.115E-02 -.418E-03
   -.276E+03 0.107E+03 0.100E+03   0.275E+03 -.103E+03 -.964E+02   0.341E+00 -.470E+01 -.380E+01   0.383E-03 -.976E-04 -.872E-05
   -.158E+03 0.201E+03 0.237E+02   0.157E+03 -.203E+03 -.217E+02   0.938E+00 0.164E+01 -.173E+01   -.905E-04 -.113E-03 -.340E-03
   -.790E+02 0.124E+03 0.520E+02   0.783E+02 -.124E+03 -.504E+02   0.828E+00 0.246E+00 -.190E+01   0.252E-03 0.946E-04 -.558E-03
   -.318E+03 0.929E+02 0.190E+03   0.319E+03 -.920E+02 -.192E+03   -.125E+01 -.772E+00 0.261E+01   0.878E-03 -.276E-04 0.479E-03
   -.237E+03 0.519E+02 0.104E+03   0.236E+03 -.534E+02 -.103E+03   0.917E+00 0.133E+01 -.124E+01   0.119E-03 -.175E-03 -.620E-04
   -.151E+03 -.369E+01 0.901E+02   0.151E+03 0.361E+01 -.894E+02   0.225E+00 0.296E+00 -.537E+00   0.789E-04 -.235E-03 -.720E-03
   -.137E+03 -.254E+01 0.128E+03   0.138E+03 0.241E+01 -.128E+03   -.576E+00 -.225E+00 0.756E+00   -.416E-03 0.958E-04 -.586E-03
   -.870E+02 -.333E+02 0.840E+02   0.884E+02 0.351E+02 -.854E+02   -.163E+01 -.172E+01 0.123E+01   -.689E-03 0.117E-03 -.463E-03
   -.133E+02 -.611E+02 -.151E+02   0.118E+02 0.603E+02 0.184E+02   0.150E+01 0.659E+00 -.310E+01   -.127E-02 0.633E-04 -.257E-03
   -.201E+03 -.131E+03 0.175E+03   0.202E+03 0.131E+03 -.177E+03   -.755E+00 -.133E+00 0.191E+01   -.764E-03 -.491E-03 -.407E-03
   -.137E+03 -.203E+03 0.201E+03   0.138E+03 0.204E+03 -.203E+03   -.105E+01 -.155E+01 0.153E+01   -.165E-03 -.574E-03 0.688E-04
   -.380E+02 -.930E+02 0.109E+03   0.386E+02 0.885E+02 -.113E+03   -.400E+00 0.428E+01 0.388E+01   -.488E-03 -.189E-03 -.209E-04
   -.566E+02 -.225E+02 0.686E+02   0.625E+02 0.310E+02 -.736E+02   -.555E+01 -.843E+01 0.511E+01   0.123E-02 0.855E-04 0.888E-03
   -.287E+03 0.365E+02 0.795E+02   0.282E+03 -.449E+02 -.741E+02   0.456E+01 0.821E+01 -.510E+01   -.291E-02 0.600E-03 -.960E-03
   -.252E+03 -.151E+02 -.121E+03   0.252E+03 0.153E+02 0.123E+03   -.414E+00 -.573E-01 -.154E+01   -.298E-03 0.521E-03 -.649E-03
   -.212E+03 -.153E+03 0.451E+02   0.212E+03 0.155E+03 -.449E+02   0.574E-01 -.131E+01 -.322E+00   -.152E-03 -.159E-04 -.219E-03
   -.199E+03 -.179E+03 0.102E+03   0.199E+03 0.180E+03 -.103E+03   0.187E+00 -.172E+01 0.114E+01   -.409E-03 0.107E-03 -.281E-03
   -.301E+03 0.390E+02 -.210E+03   0.301E+03 -.403E+02 0.212E+03   0.232E+00 0.141E+01 -.237E+01   0.110E-03 0.904E-03 -.118E-02
   -.289E+03 -.510E+02 -.180E+03   0.289E+03 0.511E+02 0.181E+03   0.280E+00 -.922E-01 -.135E+01   0.848E-03 0.274E-03 -.109E-02
   -.223E+03 -.929E+02 -.219E+02   0.223E+03 0.927E+02 0.219E+02   0.218E+00 0.215E+00 0.101E+00   0.329E-03 -.158E-03 -.362E-03
   -.177E+03 -.432E+02 -.109E+03   0.178E+03 0.465E+02 0.111E+03   -.107E+01 -.381E+01 -.262E+01   -.106E-02 0.499E-03 0.173E-03
   -.173E+03 -.139E+03 0.947E+01   0.173E+03 0.142E+03 -.568E+01   -.483E+00 -.297E+01 -.376E+01   -.382E-05 0.564E-03 0.165E-02
   -.163E+03 0.238E+02 0.322E+02   0.163E+03 -.240E+02 -.322E+02   0.145E+00 0.331E+00 -.616E-01   0.514E-03 -.860E-03 -.311E-03
   -.935E+02 0.270E+02 0.176E+03   0.937E+02 -.280E+02 -.178E+03   -.225E+00 0.115E+01 0.179E+01   0.586E-04 -.114E-02 -.379E-03
   -.340E+02 0.604E+02 0.139E+03   0.338E+02 -.619E+02 -.140E+03   0.207E+00 0.147E+01 0.434E+00   0.405E-03 -.711E-03 0.785E-04
   -.197E+03 0.985E+02 -.817E+02   0.197E+03 -.997E+02 0.828E+02   0.590E-01 0.124E+01 -.124E+01   0.144E-02 -.503E-03 -.825E-03
   -.168E+03 0.593E+02 -.107E+03   0.168E+03 -.596E+02 0.110E+03   -.289E+00 0.204E+00 -.241E+01   0.148E-02 -.589E-03 -.636E-03
   -.626E+02 0.542E+02 -.105E+02   0.627E+02 -.550E+02 0.117E+02   -.264E-01 0.855E+00 -.117E+01   0.851E-03 -.356E-03 -.734E-04
   -.195E+00 0.895E+02 0.607E+02   0.494E+00 -.938E+02 -.599E+02   -.349E+00 0.465E+01 -.324E+00   0.573E-03 -.495E-03 -.577E-05
   0.129E+02 0.757E+02 0.952E+02   -.133E+02 -.803E+02 -.934E+02   0.309E+00 0.452E+01 -.179E+01   0.285E-03 -.956E-03 0.859E-03
   0.486E+02 0.482E+02 0.104E+03   -.473E+02 -.421E+02 -.105E+03   -.144E+01 -.564E+01 0.131E+01   -.893E-04 0.962E-03 -.135E-03
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 -----------------------------------------------------------------------------------------------
   0.864E+01 -.420E+01 -.159E+02   -.975E-11 0.227E-12 0.182E-11   -.863E+01 0.426E+01 0.158E+02   -.143E-01 -.591E-01 0.783E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.03130      3.16209      1.37078         0.020849      0.063512     -0.062691
     12.83222      3.58373      2.68339        -0.109098     -0.042773      0.016163
     12.80128      4.94711      3.02739         0.004833     -0.228387     -0.003614
     13.05554      4.08530      0.33663         0.104401      0.059509     -0.090426
     12.95578      5.43642      0.66367         0.018712      0.061282      0.082587
     12.91163      5.91964      1.99705         0.024483      0.064905     -0.059504
     13.17465      1.68591      1.32682         0.351729     -0.463468     -0.305008
     12.63929      2.34429      3.50839         0.095773     -0.035827     -0.039425
     13.03077      7.40285      2.23860        -0.083164      0.183869     -0.139259
     13.01734      8.00259      3.52320         0.012878      0.058439     -0.025325
     13.28933      9.36952      3.65322        -0.024374     -0.059080      0.051304
     13.20719      8.29073      1.13813        -0.006208     -0.031329      0.025701
     13.42169      9.66896      1.27506         0.050809     -0.115002     -0.200446
     13.50479     10.19800      2.56024        -0.149673     -0.051142     -0.146196
     13.70837     11.59319      3.02766         0.265236      0.991777     -0.246260
     13.38371     10.20297      4.88410         0.042771      0.022615      0.375569
     13.72650     12.68441      5.36309        -0.004613      0.210484      0.303075
     13.43391     12.57810      6.72778         0.018182     -0.023703      0.498629
     13.43321     13.69638      7.58205         0.128273     -0.213747     -0.358242
     14.06881     13.97876      4.94381         0.036993      0.033581     -0.011609
     14.08031     15.09544      5.80747        -0.048439     -0.190834      0.097087
     13.76054     15.01489      7.21198         0.261351      0.223372      0.095435
     13.85063     16.14465      8.27938        -0.006102     -0.259256     -0.113160
     13.29007     16.11486      9.61304        -0.126438     -0.240346      0.002485
     13.37578     17.23192     10.45421        -0.135874     -0.220337      0.162338
     14.49993     17.37795      7.99537        -0.064657     -0.138507      0.098985
     14.48267     18.50878      8.81202         0.046665     -0.091960      0.225002
     13.92398     18.43862     10.07341        -0.033778     -0.014428      0.070301
     12.49193     14.99831     10.28510        -0.054472      0.148616      0.047123
     14.65876     16.30981      5.13092        -0.383478      0.052104      0.300164
      9.72660      3.85750      4.77810        -0.002958     -0.178794      0.111722
      9.74268      4.79228      3.75363         0.034162      0.005143     -0.218096
      9.86279      6.16579      4.03500        -0.059615     -0.091584     -0.044329
      9.81822      4.24825      6.10346         0.062383      0.176989      0.116675
      9.86717      5.60727      6.39757         0.128783      0.065579     -0.076405
      9.91140      6.60450      5.38775         0.055763     -0.098556      0.006501
      9.48852      2.49413      4.24371        -0.027560     -0.369652      0.142912
      9.62135      4.02303      2.46074        -0.021234      0.003918     -0.103087
     10.00272      8.04970      5.77981         0.012321      0.068269     -0.071325
     10.11982      9.07879      4.80971        -0.024644      0.094901      0.068095
     10.21448     10.40458      5.22676         0.160838      0.019266     -0.144358
      9.94537      8.44948      7.14271         0.115687      0.010723     -0.112183
     10.02645      9.79007      7.54819        -0.127406     -0.137737      0.176425
     10.18175     10.76398      6.57087         0.037677      0.192977      0.035266
     10.27788     12.24652      6.68494        -0.169977      0.466955      0.603960
     10.36077     11.65364      4.41774        -0.137416     -0.187803      0.542456
     10.79444     14.08833      4.97048        -0.119316      0.403400      0.027235
     11.29298     14.41666      3.70782         0.059665      0.173131     -0.187956
     11.70573     15.72363      3.40852        -0.147037     -0.041397     -0.020756
     10.68077     15.16854      5.86120         0.039741      0.230652      0.063846
     11.03539     16.50410      5.53452        -0.121875     -0.093017      0.070224
     11.58772     16.86090      4.23519        -0.060211      0.166742     -0.049851
     12.02651     18.26843      3.70882        -0.108875     -0.034455      0.072975
     12.56997     18.68637      2.43602         0.124566     -0.022601     -0.407951
     12.86786     20.04182      2.14805        -0.101834     -0.323676     -0.115681
     11.90444     19.37659      4.56731         0.193787      0.118273     -0.025864
     12.17202     20.71927      4.29045         0.054047     -0.111595      0.188022
     12.62308     21.10019      3.02656        -0.027499     -0.160613      0.002995
     12.96214     17.81021      1.23501         0.055700      0.253122      0.170401
     10.79879     17.43493      6.73092        -0.134072     -0.212070      0.041153
     10.35213      7.08771     14.64019         0.147160      0.316184     -0.050555
     10.24027      7.51200     15.96878         0.093850      0.100924     -0.114340
     10.26277      8.88663     16.31284         0.118916     -0.300687      0.260902
     10.37279      8.04681     13.61998         0.035665     -0.350672      0.028271
     10.32191      9.39775     13.96136         0.024682      0.353389      0.157336
     10.33106      9.88554     15.29966         0.141881      0.015249     -0.023295
     10.43526      5.59470     14.59579         0.427978     -0.940553     -0.722419
     10.06888      6.26450     16.79781        -0.135407     -0.294067      1.561732
     10.43834     11.39258     15.55980        -0.029295      0.208423      0.003425
     10.43920     11.99374     16.85382         0.003331      0.095641      0.154182
     10.59861     13.38945     17.00650         0.022466     -0.022809     -0.068841
     10.55646     12.31189     14.47189        -0.053290     -0.062303      0.033106
     10.69258     13.70165     14.62201         0.068698     -0.063264     -0.034377
     10.73803     14.23536     15.90939        -0.048071     -0.111739     -0.114010
     10.86808     15.65425     16.36248         0.186322      0.562169     -0.422385
     10.62263     14.26875     18.23076         0.069763     -0.270031      0.481943
     10.69559     16.81819     18.65440         0.028579      0.079371      0.233460
     10.15205     16.75845     19.93916        -0.154415      0.067040      0.234993
      9.95344     17.91798     20.71419         0.119043     -0.148704     -0.337425
     11.09836     18.11475     18.27201         0.095096      0.087160     -0.058451
     10.98707     19.26930     19.09180         0.023647     -0.106896     -0.155038
     10.39004     19.22427     20.41569         0.014696      0.214134      0.170641
     10.18901     20.36985      0.21523        -0.243162     -0.347565     -0.117129
      9.58231     20.30379      1.53955        -0.166595      0.027841     -0.163056
      9.37075      0.19767      2.32437        -0.042682     -0.152374      0.122596
     10.56377      0.43752     21.17439         0.016042      0.222664     -0.064038
     10.25556      1.59538      0.65316        -0.030569      0.054951     -0.231580
      9.66569      1.50686      1.91866         0.177913     -0.208816     -0.218362
      8.93493     19.10683      2.23490         0.286383      0.129720      0.136347
     11.60596     20.48685     18.39349        -0.126542     -0.199031      0.307145
      7.17621      7.64316     17.46810         0.026254      0.128217     -0.101183
      7.15233      8.59200     16.44416         0.071963      0.084403     -0.105386
      7.18676      9.97552     16.71949        -0.091330     -0.258771     -0.015546
      7.28189      8.04038     18.79412         0.005757      0.139276      0.047221
      7.29419      9.40875     19.08010         0.174506      0.021749     -0.224339
      7.24488     10.41384     18.07135        -0.015840     -0.049815      0.100443
      6.89328      6.29416     16.90846        -0.198531     -0.538576      0.270498
      7.03084      7.83477     15.14424        -0.151499      0.019583      0.032834
      7.22911     11.86954     18.47795         0.080157      0.128904     -0.068213
      7.29465     12.94982     17.54857        -0.044703      0.104450      0.044341
      7.26144     14.27282     18.01951         0.071147      0.020125     -0.104915
      7.19098     12.22112     19.85402         0.155821      0.002136     -0.099041
      7.22137     13.54378     20.31169        -0.064209     -0.118936      0.069753
      7.20897     14.57333     19.37993         0.031660     -0.037435      0.035748
      7.18268     16.04883     19.57876        -0.050034      0.337502      0.441385
      7.36089     15.57801     17.28475        -0.144872     -0.029142      0.053906
      7.56538     18.02015     18.01363        -0.107897      0.434519     -0.120958
      8.27968     18.41175     16.88175         0.134342      0.219935     -0.170704
      8.61426     19.75329     16.67287        -0.031932     -0.054535     -0.020026
      7.17503     19.07475     18.86450        -0.008177      0.264213      0.069044
      7.43105     20.45222     18.58171        -0.095858     -0.048080      0.144904
      8.20404     20.87150     17.42066         0.123935      0.078181     -0.187278
      8.69744      1.01911     16.91483         0.161137     -0.204751      0.137248
      9.32618      1.38068     15.64873        -0.105129      0.197509      0.102754
      9.73275      2.70499     15.35931         0.239419     -0.102018      0.093475
      8.64284      2.13047     17.77688         0.082595      0.051930      0.159998
      9.13800      3.42131     17.51918        -0.064212     -0.167329      0.063336
      9.67734      3.76805     16.27243        -0.038931     -0.002932     -0.001902
      9.75174      0.52359     14.46103         0.022283     -1.001402     -0.411652
      6.80052      0.10880     19.64293        -0.113335     -0.249997     -0.219072
      6.95001     10.87270      6.12014        -0.018981     -0.061728     -0.042013
      6.81395     11.31662      7.43039        -0.026533     -0.009189      0.114493
      6.88318     12.68267      7.76134         0.043933     -0.043241     -0.017979
      7.22663     11.77578      5.10054        -0.027296      0.063573     -0.088710
      7.32090     13.13376      5.41994        -0.055121     -0.048778      0.145658
      7.12097     13.64309      6.73360         0.014987     -0.107585      0.090976
      6.92875      9.38363      6.07756         0.074866     -0.329549     -0.114218
      6.73066     10.08859      8.29266         0.016038     -0.176099      0.363582
      7.22157     15.13085      6.97499         0.034484      0.295935     -0.001086
      7.08131     15.76520      8.24221         0.072200      0.099799      0.065568
      7.21907     17.16945      8.34602         0.060458     -0.128601      0.048574
      7.52007     15.99223      5.87740        -0.115766      0.038833      0.182707
      7.56183     17.38609      5.97593        -0.054492     -0.076901     -0.043873
      7.40652     17.97977      7.23201         0.001214     -0.150855     -0.141999
      7.61701     19.40239      7.64879        -0.067926      0.318522      0.041055
      7.36656     18.04897      9.55043        -0.057808     -0.061911      0.886819
      7.62427     20.57625      9.95873         0.050551      0.289105      0.231862
      7.16553     20.56188     11.28456        -0.070156      0.088752      0.150624
      7.08171      0.47223     12.05826         0.118129     -0.047138     -0.185935
      8.09900      0.58069      9.55770         0.157449      0.309774      0.073219
      8.15030      1.72850     10.41140         0.257630     -0.158127     -0.305347
      7.59024      1.75323     11.74027         0.055922      0.181725      0.133311
      7.47672      2.93995     12.77664        -0.130573     -0.486200      0.128214
      6.89686      2.85674     14.11906        -0.032491      0.122010     -0.371329
      6.71926      4.01168     14.90746        -0.028935      0.023915      0.330048
      7.91466      4.26393     12.50357         0.027129      0.121556      0.281429
      7.71030      5.41563     13.30474        -0.015012     -0.153623     -0.315420
      7.10099      5.32626     14.55628        -0.003621     -0.664334     -0.000419
      6.26658      1.63914     14.82092        -0.432065      0.169679      0.470182
      8.99079      2.84025      9.79503        -0.060932     -0.252753      0.090780
      4.15069     11.48853     10.70026         0.083698      0.058637     -0.042480
      3.88922     12.35787      9.64786         0.078157      0.192773     -0.158980
      3.92299     13.74677      9.79937         0.121963     -0.025903      0.005285
      4.48160     12.00625     11.94656         0.135764      0.088028     -0.017409
      4.52037     13.39875     12.11673         0.018614      0.108344     -0.178156
      4.24914     14.31662     11.05600         0.100121     -0.142115     -0.003876
      3.85860     10.09138     10.27557         0.013846     -0.294608      0.118686
      3.46783     11.55104      8.47411        -0.110473     -0.140119     -0.548652
      4.30358     15.81123     11.26615         0.135083     -0.012223     -0.090379
      4.04471     16.76599     10.23452         0.096940     -0.122627     -0.056528
      4.12593     18.13744     10.51947        -0.011575      0.027486     -0.251928
      4.71003     16.31551     12.52816         0.061652     -0.091430     -0.155293
      4.79065     17.68043     12.79696        -0.014389     -0.010060      0.090160
      4.42935     18.58129     11.79788         0.048109      0.175564      0.129790
      4.31574     20.06555     11.84145        -0.088422     -0.682101     -0.945290
      4.07604     19.36078      9.61852        -0.076409     -0.137089      1.975001
      4.36071      0.64515     10.09707         0.191785      0.183208     -0.138144
      4.78244      0.97410      8.80704         0.066839      0.153941     -0.112373
      5.23117      2.26480      8.50745         0.053269     -0.020063      0.091107
      4.26775      1.76107     10.95313         0.067518      0.108977      0.125613
      4.73591      3.08650     10.64591        -0.219300     -0.406992      0.252622
      5.34188      3.39320      9.36181         0.075909      0.077295      0.226400
      5.95700      4.75643      8.82140         0.018988     -0.037265      0.197419
      6.46151      5.05873      7.51083         0.257319      0.080322     -0.288674
      6.79403      6.38660      7.08523        -0.002349     -0.385641     -0.165933
      5.93145      5.93186      9.59672         0.255686      0.334172     -0.146846
      6.23101      7.24748      9.18778        -0.139531     -0.615962      0.140856
      6.62269      7.53844      7.87716        -0.155974     -0.101439      0.197277
      6.59674      4.00962      6.40984         0.230658      0.229669     -0.038944
      4.36699      3.98087     11.85338        -0.070423     -0.058931     -0.164283
      0.98593     14.23701      0.86074        -0.029784      0.016737      0.045284
      1.59769     14.67534      2.03416         0.015682      0.000075      0.163757
      1.61386     16.05794      2.35528         0.099666     -0.110522      0.256285
      0.56269     15.14360     21.15588        -0.146620     -0.037233      0.217516
      0.63819     16.49887      0.18772        -0.001522     -0.131020      0.163260
      1.07350     17.00876      1.43717         0.053828      0.151443     -0.139303
      0.90825     12.75563      0.83201         0.155590      0.330743      0.346684
      2.20713     13.42680      2.67171         0.604438     -0.360412      0.712294
      0.97091     18.51948      1.62997        -0.101895      0.122596     -0.018328
      1.33133     19.24223      2.80437        -0.111261     -0.074614     -0.068221
      1.16091     20.64036      2.82951         0.159756     -0.121680      0.055474
      0.47836     19.30933      0.54356        -0.013117     -0.077645      0.050016
      0.28646     20.69188      0.58969         0.057001     -0.187307     -0.104521
      0.61704      0.09228      1.76177         0.070748      0.048877      0.033998
      0.57731      1.54834      2.06546        -0.131492      0.260845     -0.111432
      1.60290      0.38725      3.84206         0.329224      0.116531      0.462042
      1.37738      2.93393      4.05745         0.165713      0.098505      0.210214
      1.95944      2.95935      5.32151         0.077011      0.032710      0.164913
      2.09400      4.15164      6.02467        -0.109812      0.144224     -0.190662
      0.92030      4.18622      3.62185        -0.150750      0.138892     -0.104114
      1.03285      5.38949      4.35407         0.049287      0.030373      0.151901
      1.72011      5.46097      5.61946         0.017819      0.219143      0.151959
      2.07485      6.71823      6.49342        -0.070654     -0.239708     -0.511632
      2.55063      6.68025      7.82964         0.057723     -0.229429      0.162923
      3.02762      7.78498      8.55441        -0.116353     -0.284474      0.242209
      2.05520      8.06628      6.04024        -0.028419      0.265991     -0.063792
      2.52445      9.19404      6.75874        -0.087514     -0.379016     -0.343761
      3.05659      9.07694      8.05803        -0.136064      0.132499     -0.320938
      2.81424      5.42236      8.58828         0.507907      0.136992      0.204326
      0.28460      6.53384      3.68943         0.267105     -0.148115     -0.204452
      4.68061     14.08534      0.69692        -0.038519      0.192123     -0.035876
      4.06443     14.99142     -0.17090        -0.040691      0.004764     -0.018876
      4.07294     16.39040      0.09902        -0.056703     -0.161226     -0.156540
      5.35864     14.56176      1.81777        -0.062061     -0.212379     -0.119674
      5.36943     15.92969      2.07754        -0.182923      0.010525      0.016933
      4.70876     16.89870      1.27653        -0.061670      0.118942      0.042757
      4.52513     12.67937      0.20705         0.036956     -0.242501     -0.020547
      3.49220     14.14883     19.95488        -0.291070     -0.039417     -0.708344
      4.74901     18.36617      1.75103        -0.021050      0.086816      0.056485
      4.13923     19.48541      1.10880        -0.003007      0.180373     -0.053931
      4.31139     20.79913      1.62178         0.018289     -0.037842     -0.139855
      5.47275     18.68176      2.93988        -0.054504      0.010301     -0.007776
      5.65701     19.97495      3.44502        -0.036081      0.120821     -0.009100
      5.07470     21.04595      2.76221        -0.012709     -0.284332     -0.079334
      5.15972      1.25220      3.02964         0.076413      0.280781      0.217245
      3.83881      0.88796      1.11691        -0.226436      0.197883     -0.216592
      4.00786      3.34564      2.01452         0.051399      0.395019     -0.112157
      3.08525      3.93658      1.12580        -0.126741      0.023747     -0.465206
      2.81557      5.32747      1.08723         0.193563      0.152885      0.036518
      4.53006      4.29180      2.93076        -0.119241      0.124495     -0.262272
      4.25280      5.69241      2.86245        -0.212026     -0.292210     -0.186490
      3.43400      6.35387      1.87446         0.189388     -0.010178      0.228061
      3.15047      7.95006      1.77302        -0.046741      0.087623     -0.134424
      2.13586      8.55030      0.95015        -0.344485      0.099422     -0.067971
      1.73552      9.91287      1.02474        -0.103232     -0.310501     -0.201483
      3.76338      9.01545      2.54450         0.036604     -0.232870     -0.170495
      3.30405     10.34776      2.68333         0.278705      0.289747     -0.038369
      2.24146     10.86493      1.91649         0.161208     -0.006220     -0.049398
      1.21341      7.78735      0.00716        -0.544783      0.361508      0.418111
      4.90472      6.45813      3.95970        -0.129718      0.292390      0.025382
     18.10734     17.33556     13.60976        -0.054686      0.023023     -0.022040
     19.12843     17.81203     14.42709         0.056687      0.036049      0.012448
     19.40320     19.18285     14.54551        -0.163100     -0.210938      0.021308
     17.36855     18.22482     12.83092        -0.249700      0.101864      0.050422
     17.62853     19.59750     12.94496         0.136256      0.041854      0.166623
     18.61509     20.12511     13.82908        -0.089895     -0.032696      0.029308
     18.03679     15.84898     13.71594        -0.595476     -0.581004     -0.199809
     19.80032     16.62065     15.04734        -0.258589      0.100834     -0.083694
     18.73838      0.35403     14.05350        -0.018853      0.302108      0.034249
     19.72238      0.93571     14.90783        -0.132740      0.201088      0.119420
     19.66203      2.31208     15.20114         0.072220     -0.069869      0.151066
     17.79351      1.25586     13.47763         0.056294     -0.039385      0.070568
     17.78720      2.63744     13.73000        -0.157409     -0.107339     -0.126073
     18.72546      3.16026     14.61707        -0.094375     -0.059570     -0.174629
     18.94435      4.56441     15.08060        -0.317088      0.541702     -0.161148
     20.44890      3.13990     16.18109        -0.064142      0.049588     -0.112450
     20.63227      5.66281     16.63049         0.432834      0.423537      0.499142
      0.68519      5.62860     17.11981         0.077564      0.133098      0.277247
      1.32394      6.78448     17.59505        -0.544409      0.297506     -0.094258
     20.00244      6.91009     16.80592        -0.706764     -0.082744     -0.106576
     20.59823      8.04499     17.40987         0.107209      0.070402      0.138284
      0.74117      8.06276     17.80884        -0.104649     -0.230442     -0.100995
      1.60770      9.20644     18.43336         0.256888      0.151350     -0.080542
      2.95776      9.13832     18.96482         0.059232     -0.152450     -0.017947
      3.62815     10.26779     19.53157        -0.206586     -0.234739     -0.120843
      1.10603     10.52064     18.58788         0.186968      0.113479      0.162211
      1.77899     11.63264     19.13569        -0.699352      0.201229     -0.447014
      3.07000     11.54749     19.62561         0.428132      0.511655      0.463600
      4.03646      8.02300     18.86142        -0.322963      0.112521      0.357013
     19.55464      9.14097     17.66692         0.166623     -0.108731      0.246369
      1.97136     18.19282     14.10481        -0.058845     -0.170752      0.232269
      1.24255     19.13180     13.38792        -0.020015     -0.009514     -0.094237
      1.34285     20.50061     13.66505        -0.120872     -0.100922      0.048283
      2.86692     18.61178     15.08156         0.159492      0.210641      0.145213
      2.99593     19.98129     15.34057        -0.091309      0.345042      0.019148
      2.20956     20.97457     14.68519        -0.155357     -0.237668      0.048163
      1.64586     16.82360     13.62498         0.529807     -0.775945      0.193109
      0.47001     18.37907     12.34796        -0.395629      0.222869     -0.501923
      2.34245      1.18123     15.00791        -0.119809      0.125924      0.094812
      1.71065      2.18954     14.22836         0.036432      0.167852      0.006921
      1.96746      3.53789     14.50045        -0.095855      0.243943     -0.163488
      3.14823      1.63444     16.08894        -0.222314     -0.092391     -0.008526
      3.48251      2.98461     16.28494         0.084455     -0.179088      0.174736
      2.90824      3.93486     15.44801         0.181126      0.166781      0.044453
      3.14540      5.41074     15.30014         0.232357      0.198951      0.022800
      1.39404      4.78528     13.87959         0.725947     -0.400479      0.750863
      1.63556      7.27443     14.43597         0.034655      0.276553     -0.091280
      0.34672      7.55546     13.99535        -0.324872      0.033592     -0.209967
     21.04624      8.83105     14.11713        -0.014795     -0.056529     -0.144854
      2.35392      8.39833     14.90623        -0.113021      0.145419     -0.058460
      1.80110      9.71267     14.99321        -0.075408     -0.157422     -0.024994
      0.42280     10.00373     14.58226        -0.092624      0.134689      0.045850
     20.87804     11.36041     14.56470         0.145368     -0.029313     -0.025642
     19.51163     11.66768     14.14680        -0.150083     -0.027037     -0.025029
     18.97967     12.98329     14.19240         0.068411     -0.314307     -0.146072
      0.28094     12.54694     14.93901        -0.024119      0.186347      0.248290
     -0.25834     13.83970     15.04113         0.129514      0.049111      0.156284
     19.69057     14.11028     14.63241         0.045771     -0.321882      0.067766
     18.45530     10.68950     13.60513         0.133679      0.294444      0.312187
      2.87217     10.69800     15.48539         0.158570     -0.180782     -0.110545
     16.11358      0.41641      5.23598         0.132172      0.027189     -0.092544
     16.87094      0.85188      6.31985         0.081724     -0.021224      0.143999
     16.93945      2.21495      6.67936         0.008649     -0.150087     -0.035551
     15.36973      1.32394      4.50643         0.048372      0.053711     -0.097097
     15.43230      2.67450      4.84802         0.087289     -0.002996      0.029609
     16.22099      3.17725      5.90665         0.030780     -0.038603      0.056389
     16.37761     20.24024      4.93861        -0.013497     -0.227163     -0.249251
     17.56888     20.89315      6.85841         0.261537     -0.094263      0.292026
     16.25816      4.67326      6.12777        -0.091567      0.187901      0.104632
     17.04785      5.30160      7.12498        -0.160504      0.074240      0.134562
     16.97273      6.69657      7.31047        -0.061353     -0.114109      0.142090
     15.44570      5.54148      5.33877         0.109472     -0.050292      0.143591
     15.43560      6.93336      5.48657        -0.010684     -0.091717     -0.088244
     16.21914      7.51514      6.47700        -0.043980      0.016997     -0.032030
     16.42555      8.95266      6.84093         0.088749      0.255648     -0.027752
     17.53828      7.56998      8.38304         0.315290     -0.046864      0.635919
     17.74832     10.10835      8.71147         0.068333      0.231529      0.095742
     18.81370     10.01356      9.60407         0.089014      0.045210      0.271601
     19.40058     11.15248     10.16605        -0.249451     -0.206510     -0.043199
     17.29491     11.42263      8.49231        -0.006925      0.349733      0.043902
     17.83626     12.56874      9.14136        -0.193518     -0.097410      0.001909
     18.96542     12.47722     10.04090         0.031010      0.280383      0.168853
     19.74076     13.57736     10.82182         0.142977     -0.077350     -0.115213
     21.03161     13.46175     11.49224        -0.245009     -0.138317     -0.203925
      0.42253     14.58514     12.02221         0.061198      0.046244      0.036904
     19.24890     14.90398     10.89485        -0.037057      0.056298     -0.020887
     19.94334     16.03259     11.37339        -0.184686      0.192481     -0.144765
     21.19753     15.89098     11.97757        -0.261299      0.041128     -0.116775
      0.75431     12.28592     11.58564         0.186654     -0.012818      0.187458
     17.04054     13.83053      8.81206         0.345620     -0.226810     -0.081558
     20.39452      1.34109      6.11347        -0.081991     -0.027321     -0.078888
     19.81889      2.38904      5.38833        -0.085364      0.192616      0.185462
     19.81059      3.69598      5.84729         0.087205      0.058822      0.318038
     20.91536      1.58689      7.37605        -0.120487      0.157955      0.121478
     20.84855      2.89344      7.88144        -0.108169      0.153320      0.089363
     20.33032      3.99141      7.13864        -0.084148      0.079858      0.005064
     20.23752      0.08005      5.32415         0.078652     -0.299056      0.213243
     19.16312      1.83894      4.17564        -0.304439     -0.059739     -0.430042
     20.38658      5.41640      7.63733        -0.192449      0.055792     -0.109313
     20.00191      6.47325      6.77562        -0.118997     -0.216584      0.060357
     20.28409      7.79763      7.10717        -0.261918     -0.105223     -0.256421
     -0.38149      5.79264      8.91281        -0.089844      0.004402     -0.061507
     -0.01152      7.11778      9.20011         0.105509     -0.155949      0.256931
     20.97500      8.11108      8.26156         0.018320      0.182533      0.071586
      0.03124      9.56234      8.22267         0.366461      0.448656      0.515074
     19.99333      9.06478      6.36217         0.098715     -0.317535      0.301837
     20.43437     11.52235      6.80252        -0.078099      0.260835     -0.084659
     19.53357     11.93188      5.82063        -0.307943      0.322860     -0.300456
     19.21801     13.28142      5.62595         0.061449      0.023739      0.011405
     21.04571     12.58208      7.49814         0.057278      0.168578      0.087983
     20.77555     13.95286      7.24885         0.197341     -0.077756      0.059296
     19.79157     14.39593      6.28433         0.065196      0.028988      0.020803
     19.29132     15.83394      5.99487         0.072734     -0.202698     -0.024820
     18.47355     16.28796      4.89872        -0.154564      0.008622     -0.173776
     17.94546     17.60481      4.85283        -0.006348     -0.182224     -0.204881
     19.54238     16.88848      6.90722        -0.147995      0.217646     -0.054787
     18.93295     18.14924      6.91623         0.068809     -0.071693      0.052159
     18.05589     18.54043      5.89656         0.232571     -0.224289     -0.052684
     17.90676     15.40647      3.77369         0.105192      0.140365     -0.002462
      0.47384     14.85779      8.01804         0.047126     -0.133513     -0.100005
     12.68023      5.22574      4.07971        -0.008701      0.005829     -0.162228
     13.13865      3.76598     20.55596         0.011784     -0.002384     -0.011932
     12.90888      6.14961     21.10313         0.095328     -0.079684     -0.071094
     12.79103      7.43091      4.42324         0.012240     -0.072541     -0.006312
     13.16844      7.88618      0.12336         0.073935      0.181782      0.127270
     13.52929     10.29882      0.38527         0.019256     -0.044454      0.155041
     13.22807     13.48370      8.61454        -0.007918     -0.183935      0.191979
     13.26684     11.58807      7.15290        -0.140781      0.181409      0.065933
     14.37284     14.13299      3.91484        -0.101332     -0.018865     -0.024943
     12.93919     17.15859     11.44212        -0.041998     -0.000903      0.140374
     15.01478     17.53125      7.06975         0.071016     -0.142018     -0.087827
     14.87876     19.46530      8.47743         0.283121     -0.051532     -0.275619
      9.92056      6.88708      3.21629        -0.124106     -0.105529     -0.003518
      9.75768      3.52157      6.90164         0.134096     -0.048002     -0.044348
      9.81724      5.89494      7.45192         0.198752     -0.068450     -0.167512
     10.12286      8.85368      3.74305         0.000290      0.029140      0.008175
      9.80696      7.69661      7.92299         0.051124      0.117392     -0.092421
      9.91192     10.05721      8.60697         0.158390     -0.036581     -0.196114
     12.16925     15.83877      2.44251        -0.059155     -0.092034     -0.063282
     11.37091     13.64350      2.94877         0.199003      0.110675     -0.100026
     10.31297     14.97161      6.86631         0.074623      0.004154     -0.143161
     13.28122     20.26848      1.17177        -0.027090      0.026186      0.034197
     11.59612     19.20139      5.57078        -0.072168      0.108901      0.336865
     12.06203      0.19783      5.07868        -0.209843     -0.050542      0.054378
     10.21386      9.15739     17.37658         0.022350     -0.045812     -0.210978
     10.38908      7.75023     12.56667         0.050150      0.003659      0.113505
     10.26041     10.11786     13.14524         0.102294     -0.085599     -0.036275
     10.26925     11.39279     17.74849         0.141469     -0.046857      0.043550
     10.52497     11.94319     13.44615         0.061725     -0.005461      0.033555
     10.76564     14.35561     13.74626         0.012579     -0.134225      0.066682
      9.42697     17.75331      0.37353        -0.047493     -0.189785      0.145571
      9.90081     15.78704     20.36636        -0.183818      0.161782      0.024671
     11.51139     18.27093     17.28136         0.019258     -0.164879     -0.012674
      8.96915      0.05525      3.32125        -0.045070      0.113515     -0.068811
     11.16769      0.61786     20.29757        -0.178603      0.083321     -0.040688
     10.45218      2.57992      0.22126         0.207493     -0.183925      0.012999
      7.13498     10.70819     15.90690        -0.018672     -0.211816      0.021365
      7.23957      7.30940     19.60063         0.157504     -0.030470     -0.014034
      7.28298      9.69512     20.13360         0.145029     -0.057791     -0.112700
      7.40334     12.76970     16.47399        -0.111191      0.033918      0.113532
      7.12224     11.44396     20.61819         0.093509      0.129507     -0.113767
      7.22451     13.75186      0.12579         0.064663     -0.022432     -0.176042
      9.28356     19.93105     15.85305         0.106866     -0.159046     -0.162349
      8.61722     17.67352     16.15858         0.119720      0.073344      0.002443
      6.68256     18.83732     19.81270         0.046213      0.028218     -0.371685
     10.10826      2.85317     14.35128         0.123625      0.360801      0.222627
      8.21643      1.97839     18.76481         0.092725      0.168537     -0.053197
      9.09867      4.15809     18.30653        -0.163562      0.164763      0.236429
      6.80222     12.99646      8.80802        -0.017650     -0.103238     -0.151716
      7.43804     11.43043      4.08513        -0.129045      0.008693      0.026604
      7.63658     13.80717      4.62036        -0.220597     -0.090566      0.038293
      6.91657     15.17321      9.15062         0.044436      0.137569     -0.111952
      7.81455     15.55350      4.92054        -0.260933      0.167093      0.052696
      7.82477     17.97709      5.09499        -0.074937     -0.012885      0.180746
      6.57105      0.33292     12.99021        -0.004577     -0.133523     -0.008178
      6.83751     19.62533     11.73141         0.003953      0.059428      0.025583
      8.46307      0.71267      8.54219         0.028981     -0.147903      0.056331
      6.27450      3.88451     15.88737         0.024061      0.039633     -0.023358
      8.52066      4.45483     11.63339        -0.145260      0.012959     -0.249478
      7.98849      6.40350     12.93179         0.218521     -0.206786     -0.139043
      3.62049     14.37496      8.96397         0.183556     -0.022330     -0.075747
      4.63352     11.34238     12.79490         0.158179      0.037456     -0.121545
      4.70761     13.77096     13.13011         0.036681     -0.080514     -0.217390
      3.82327     16.44266      9.21242        -0.043269      0.052278      0.108264
      4.97232     15.61710     13.32950         0.005552      0.214245     -0.157793
      5.14278     18.01494     13.77428        -0.054811      0.077047     -0.080262
      5.52060      2.36318      7.48520         0.093551     -0.117247     -0.117205
      4.77521      0.21063      8.02996         0.124592      0.139550     -0.096048
      3.84796      1.60319     11.94422         0.099149     -0.015429     -0.124364
      7.16168      6.49249      6.06965        -0.090661      0.053100      0.051613
      5.56133      5.86225     10.59222         0.055023      0.122747      0.350140
      6.10806      8.05012      9.89882        -0.080185      0.054037      0.292925
      2.05890     16.40573      3.29812        -0.104631     -0.185118     -0.145548
      0.20084     14.81813     20.18775        -0.165143     -0.140826     -0.164114
      0.34275     17.17865     20.65692        -0.122250     -0.047963     -0.070811
      1.74099     18.73067      3.68181        -0.033901      0.109330     -0.071483
      0.23925     18.83771     20.85016        -0.026567      0.078537      0.102845
     -0.04948     -0.01856     20.96680        -0.088879     -0.021975      0.049666
      2.50545      3.97008      6.98681         0.128626     -0.030559     -0.080374
      2.29302      2.03539      5.78921         0.042889      0.144018      0.030074
      0.40807      4.24840      2.68048        -0.214181     -0.103220     -0.332467
      3.33232      7.61941      9.57902         0.069213      0.154613     -0.083938
      1.65530      8.29105      5.05416         0.139529      0.001329      0.022053
      2.44138     10.17854      6.31379        -0.000821      0.050966     -0.237981
      3.58348     17.07794     20.65618         0.065258     -0.165703      0.088783
      5.86300     13.86117      2.48389         0.006336      0.018010      0.078390
      5.90255     16.24756      2.96898         0.002295     -0.068243      0.024372
      3.53224     19.34582      0.20946         0.106730      0.065017      0.009195
      5.99288     17.88635      3.47568        -0.149058      0.160323      0.016345
      6.29957     20.14499      4.31981        -0.258513     -0.030589     -0.120247
      2.00144      5.58074      0.43036         0.159420     -0.081499     -0.304694
      2.52970      3.30509      0.42101         0.114902      0.226008      0.163507
      5.13962      3.92177      3.74720         0.120527      0.133960      0.002676
      0.97621     10.21816      0.32116        -0.118292      0.075004      0.108424
      4.67140      8.84355      3.11286        -0.063192     -0.063403     -0.192614
      3.84615     11.03720      3.34167         0.041387     -0.323532     -0.035780
     20.22611     19.49872     15.18522        -0.070236      0.040274      0.139755
     16.57936     17.86901     12.16024         0.098603      0.006432      0.048744
     17.03091     20.28131     12.33179         0.116812     -0.170219      0.097934
     20.53398      0.33795     15.33912        -0.253488      0.066229      0.083370
     17.01055      0.86960     12.81577         0.147160      0.071388      0.128707
     17.03618      3.28105     13.25573         0.140418     -0.088843      0.080581
      2.36238      6.65809     17.82492         0.020194     -0.117538      0.021009
      1.22785      4.68733     17.16990         0.054409      0.041247     -0.106426
     18.95325      7.01077     16.48899         0.499694     -0.096868      0.114406
      4.61124     10.06831     19.92606         0.206763      0.278477      0.096490
      0.09957     10.71418     18.27687        -0.318478      0.197246     -0.129090
      1.26967     12.60041     19.16369        -0.096983     -0.291080     -0.123345
      0.73609     21.19201     13.09257        -0.132826      0.149056     -0.193717
      3.51042     17.89559     15.59199        -0.075269     -0.054845      0.118028
      3.77814     20.31193     16.03161        -0.174946     -0.149947      0.019780
      1.04627      1.94535     13.39595         0.024230     -0.002616      0.057046
      3.60084      0.90433     16.76938        -0.096266      0.146808     -0.128253
      4.22353      3.24465     17.05311        -0.330015      0.064387     -0.126561
     20.01751      8.87643     13.79916        -0.055388      0.040078     -0.008495
     21.04448      6.74032     13.53390        -0.270300      0.310429      0.173141
      3.38779      8.26284     15.21679        -0.163709     -0.039402      0.001168
     17.98081     13.13265     13.79725        -0.024914      0.001001      0.112862
      1.33529     12.49528     15.14404         0.049675      0.096189      0.176099
      0.35939     14.65047     15.42692         0.142399     -0.196026     -0.140259
     17.59627      2.52884      7.49922        -0.185331     -0.126323     -0.043156
     14.78034      0.98271      3.66105         0.136921      0.008302     -0.018361
     14.85572      3.37221      4.24391         0.141069     -0.104893      0.006872
     17.73477      4.70636      7.73078        -0.196066      0.115342      0.171364
     14.78332      5.12036      4.58006         0.164590      0.105696      0.084408
     14.79133      7.54751      4.85622         0.246068     -0.082531      0.038454
     20.25989     10.96405     10.77393        -0.018304     -0.195792      0.091780
     19.18860      9.03323      9.88239         0.093361      0.050965      0.066132
     16.50681     11.59178      7.76626        -0.074422     -0.070588      0.077719
      1.38121     14.42173     12.47978         0.158450      0.115331      0.141580
     18.23897     15.09028     10.54458         0.139089      0.096461     -0.003102
     19.53631     17.03969     11.21022        -0.115828     -0.380973      0.150465
     19.39846      4.46206      5.19484        -0.115107      0.038883      0.018310
      0.07200      0.77755      7.97247         0.067451     -0.050103      0.078268
     -0.02253      3.06435      8.88739        -0.042044     -0.003750     -0.072791
     19.52678      6.24513      5.82379        -0.043652      0.118426      0.264676
     -0.22567      5.02925      9.67992         0.041062      0.178713     -0.082510
      0.54890      7.33112     10.11934        -0.340740      0.067949     -0.051662
     18.42906     13.44716      4.91583        -0.041387     -0.091643     -0.067366
     19.04016     11.18380      5.20919        -0.149856      0.104309     -0.052201
      0.50832     12.35249      8.27210         0.004980     -0.065070     -0.119155
     17.30603     17.84056      4.01123         0.018802      0.094080     -0.064347
     20.24219     16.74157      7.70590        -0.031952     -0.070835      0.232613
     19.14648     18.84545      7.72110         0.141786     -0.091960      0.126143
     13.87725     19.27402     10.76976         0.080985      0.186192     -0.076610
     19.11094     21.05287      3.52798        -0.008349     -0.108741     -0.199133
     12.79566      1.21146      2.63586         0.139302      0.210732     -0.128609
     13.64948     11.55597      4.47724        -0.050392     -0.091029     -0.383987
      9.51737      2.61932      2.80644         0.109993      0.168874      0.138520
     10.47851     12.74101      5.33987         0.025836      0.028684      0.297306
     10.04101      5.13172     15.91316         0.253287      0.079615     -0.255914
     10.76101     15.63976     17.79815         0.021398      0.274971     -0.230781
      7.00154      6.41709     15.48054         0.035672      0.290681     -0.114890
      7.31477     16.63317     18.27501         0.012135     -0.209491      0.267962
      6.74184      8.91940      7.42973         0.094671      0.182027     -0.238684
      7.57348     19.41368      9.10196        -0.108538     -0.209168     -0.346852
      3.50828     10.16187      8.86987        -0.034419      0.232728     -0.023390
      4.15446     20.52836     10.48890        -0.037440      0.005375      0.326554
      1.78556     12.27049      1.86465         0.160925     -0.353574     -0.057359
      1.20729      1.70339      3.35061        -0.150979     -0.116166     -0.275868
      3.71343     12.72526     20.29166        -0.313494      0.002569     -0.093001
      4.32618      1.91490      2.04375        -0.035760      0.028743      0.120095
     19.15671     15.44415     14.54089        -0.183033      0.040927     -0.225214
     20.02812      4.51809     16.01687        -0.284344     -0.145409     -0.179802
      0.66431     16.97084     12.59072         0.052632      0.128504      0.186098
      2.08427      5.90816     14.46064         0.344513      0.127248      0.180992
     17.36658     19.80772      5.89731        -0.096590      0.140138      0.031707
     17.22316      8.94751      8.04596        -0.151179     -0.187095     -0.340741
     19.46134      0.45781      4.20828         0.123477      0.284980      0.140845
     20.64003     10.12921      7.06174         0.172087     -0.090977      0.540069
     12.42431      2.27808      4.70938        -0.091917      0.158958      0.024788
     13.62375      1.01617      0.39610        -0.439311      0.425398      0.712260
     13.24974      9.81118      6.03507        -0.074616     -0.048651     -0.157445
     13.87955     12.59883      2.33009        -0.148731     -0.966755      0.746697
      9.60796      4.45635      1.31891         0.026073     -0.006832      0.080291
      9.29087      1.46269      4.87513         0.226822      0.548946     -0.311845
     10.33233     11.75108      3.20500         0.037930      0.012235     -0.565724
     10.14762     12.92959      7.70717         0.219755     -0.642409     -1.100643
      9.95673      6.17785     18.03325         0.207842      0.301212     -1.370469
     10.84714      4.88317     13.66438        -0.667293      0.976777      1.213852
     10.55343     13.90709     19.39800         0.007675      0.041380     -0.225242
     11.03965     16.64704     15.65047        -0.179474     -0.714360      0.683126
      6.92587      8.29373     14.01790         0.160335     -0.190056      0.109459
      6.55148      5.28990     17.53375         0.512744      0.628345     -0.449711
      7.46280     15.74632     16.08036        -0.057251      0.006720     -0.063033
      7.05740     16.66160     20.64380         0.170621     -0.426526     -0.966966
      6.71634     10.05519      9.51720         0.081805      0.087338     -0.257177
      7.10822      8.68503      5.08433        -0.144309      0.292886      0.682764
      7.35728     17.69560     10.72839         0.065310      0.178569     -0.642845
      7.80538     20.36911      6.91952        -0.209058     -0.378801      0.495536
      3.13008     11.94910      7.36341         0.220046     -0.078738      0.388644
      3.86616      9.08151     10.97497         0.022801      0.521996     -0.388711
      4.03868     19.38163      8.42486        -0.150431      0.078816     -1.917051
      4.30006     20.75719     12.83098         0.093798      0.465921      0.472816
      2.97066     13.34999      3.63543        -0.809485      0.074977     -0.852562
      0.18105     12.11187      0.09629        -0.065469     -0.200151      0.016898
      2.23040      0.18438      4.87529        -0.243101     -0.044671     -0.521302
      0.09710      2.44104      1.37194         0.317320     -0.431902      0.442218
      2.98460     14.52901     18.90288         0.252987     -0.250722      0.801615
      5.03382     11.67352      0.70181        -0.286542      0.332586     -0.231211
      3.16393      1.11907      0.12193         0.249289     -0.069841      0.331782
      5.82527      1.79219      3.90717        -0.375064     -0.152327     -0.582972
     -0.53811     16.62950     15.84434         0.322358      0.050103      0.274261
     17.17857     15.10760     13.22835         0.846939      0.629773      0.488984
     -0.00967      2.74000     17.00497         0.148568      0.016999      0.174129
     18.33217      5.57599     14.73067         0.482175     -0.748694      0.276270
     21.08673     18.83877     11.41053         0.065706     -0.141320      0.316265
      2.15431     15.75911     14.00066        -0.539107      0.976213     -0.209532
      0.49995      4.83785     13.06857        -0.815034      0.090468     -0.749314
      4.08210      6.08768     15.72192        -0.826434     -0.451933     -0.129237
     18.18109     20.79724      7.91527        -0.157469      0.006506     -0.386084
     15.88471     19.57467      4.02817         0.487200      0.326879      0.606426
     18.10849      7.19950      9.40536        -0.373042      0.213554     -0.405159
     16.05078      9.94816      6.22756         0.305536     -0.546468      0.421462
     18.46169      2.40393      3.33862         0.410157     -0.307466      0.367545
     20.66546     20.20537      5.54517        -0.296136      0.668873     -0.141837
     19.30618      9.17524      5.36702        -0.409819      0.102535     -0.396474
      0.73302     10.18094      9.01880        -0.716902     -0.373805     -0.595053
     13.99433     17.49665      5.30557         0.022482     -0.142064      0.187421
     15.90989     16.51121      5.63792         0.142027      0.025025      0.150259
     14.77999     16.18306      3.79889         0.067037     -0.061463     -0.328418
     11.94281     15.37934     11.49213         0.012389     -0.042683     -0.143613
     11.43573     14.59568      9.53170        -0.083005     -0.163877     -0.113118
     13.23350     13.88543     10.60518         0.079740     -0.047752     -0.105561
     11.94331     17.94461      7.26277         0.015233      0.193885     -0.169438
      9.99618     18.51207      6.44818         0.070117     -0.002175     -0.052745
     10.17990     16.80829      7.78614         0.095887      0.038787     -0.155669
     13.20149     18.54651      0.10448         0.041175     -0.116617     -0.018788
     14.11112     17.12458      1.46878         0.147937     -0.258159      0.039522
     12.01781     16.89461      0.85420         0.092574     -0.016588      0.051713
     10.81219      0.35068     18.37204         0.241785     -0.156846      0.175206
     12.78586     -0.41699     18.98494         0.082349      0.124449      0.087060
     11.88049     20.25977     17.08562         0.276335     -0.061489     -0.193283
      8.62800     19.36132      3.55716        -0.019334     -0.079856     -0.261869
      7.76089     18.80506      1.61843        -0.115250     -0.227648     -0.300773
      9.64632     17.93946      2.31004        -0.009022      0.058728     -0.182464
      7.70408      0.80869     20.39334         0.070985      0.114104     -0.101243
      5.92988      1.02193     19.10804         0.162303     -0.005373     -0.110557
      6.06812     20.66581     20.57244         0.053806      0.137764     -0.234331
      9.87794      1.21394     13.28376         0.109115      0.031569      0.178008
     11.00002     21.25421     14.69477        -0.023259     -0.081998      0.074997
      8.95026     20.71080     14.10543         0.535255      0.282113      0.084556
      8.36744      4.05785      9.66428         0.167854     -0.131703      0.009379
     10.13643      3.06716     10.50368         0.049710      0.074534      0.312072
      9.40690      2.52586      8.53687         0.198966     -0.083929     -0.026190
      6.04758      1.88363     16.16201         0.111407      0.025780     -0.150691
      5.03592      1.34869     14.30783         0.528761     -0.002473     -0.051600
      6.93490      0.44816     14.84756        -0.187549      0.274576     -0.182420
      5.13576      5.07571     12.12505        -0.260609     -0.102647     -0.065052
      3.06776      4.42830     11.77869         0.040028     -0.160637     -0.014216
      4.39199      3.27805     13.01601         0.092031     -0.024586     -0.020588
      7.18579      4.49725      5.28312        -0.019666     -0.034600     -0.093784
      7.36426      2.93258      6.75889        -0.085139     -0.011136      0.206075
      5.38500      3.50751      5.99852         0.047024      0.010698      0.093560
     -0.55282      7.23827      4.48173         0.050371      0.064141      0.087912
      1.12416      7.48732      3.17925        -0.094566     -0.128503      0.061256
     -0.50320      6.08620      2.68174        -0.262724     -0.044939     -0.031600
      3.25680      5.69226      9.83938        -0.104387     -0.158028     -0.026995
      1.84484      4.48243      8.78051        -0.225140      0.001527     -0.009053
      3.82176      4.76991      7.92786        -0.299699      0.095138      0.037399
      6.08424      6.97786      3.50680         0.212066      0.024146     -0.019521
      4.15966      7.48322      4.47085        -0.104490      0.052286      0.014121
      5.14353      5.72449      5.05745        -0.041295     -0.249948     -0.019820
      0.28764      8.61365     20.68870        -0.012704     -0.353513     -0.192273
      1.82885      7.10358     -1.00453        -0.012466     -0.047484      0.482703
      0.45170      6.87516      0.66819        -0.071574     -0.250007     -0.122168
     19.39807      9.39122     19.00376         0.292401      0.100604      0.113546
     19.83181     10.34603     17.06736        -0.026104     -0.062447     -0.004107
     18.31394      8.80418     17.23521        -0.264973     -0.014343     -0.185293
      4.86390      8.08129     19.95683         0.198132      0.237621      0.081464
      3.84157      6.67394     18.78864        -0.414438      0.047292     -0.121614
      4.71095      8.34385     17.72524         0.242617     -0.193794     -0.034950
      3.38304     11.42791     14.44080        -0.122965      0.176766     -0.068557
      2.51674     11.61448     16.42717        -0.181640     -0.085301      0.000031
      3.95682     10.06509     16.03169        -0.073194      0.116377     -0.159463
     17.33884     11.32654     13.14128        -0.055891     -0.121320     -0.041870
     18.87937      9.91987     12.55895         0.017609     -0.080019     -0.020283
     18.01951      9.83394     14.57189        -0.022406     -0.237726      0.186659
     16.22684     14.20480      9.84809         0.048002      0.041288      0.168011
     17.80049     14.92473      8.49030         0.045039     -0.036531      0.063271
     16.23234     13.64762      7.73869        -0.023103      0.026721     -0.158665
      1.76493     12.51653     12.48407        -0.081506      0.089033      0.010779
      0.32883     11.04058     11.96910        -0.216419      0.104109     -0.268364
      1.36851     12.14323     10.38949        -0.134544     -0.131870     -0.164801
      1.21682     15.63293      7.17199         0.022949      0.170776     -0.203134
     21.17751     15.71379      8.93504        -0.071928      0.012048     -0.100378
      1.36378     14.15017      8.76677         0.149729      0.083115     -0.200573
     17.25786     16.12261      2.81691         0.229333      0.052331     -0.129022
     18.82783     14.65029      3.10148         0.321042      0.141811      0.031999
     16.96815     14.50750      4.24654         0.036739      0.049166     -0.081896
 -----------------------------------------------------------------------------------
    total drift:                               -0.011894      0.001186     -0.008473


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4566.9044932239 eV

  energy  without entropy=    -4567.0552218320  energy(sigma->0) =    -4566.95473609
 
 d Force = 0.2125059E-01[-0.284E-03, 0.428E-01]  d Energy = 0.2119183E-01 0.588E-04
 d Force = 0.2192383E+03[ 0.219E+03, 0.219E+03]  d Ewald  = 0.2192382E+03 0.711E-04


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   50(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.2914180E+00  (-0.5227761E+02)
 number of electron    2497.9999951 magnetization 
 augmentation part      162.6296547 magnetization 

  free energy =  -0.456661307789E+04  energy without entropy=  -0.456676333075E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   50(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) :-0.1171733E+01  (-0.1387359E+01)
 number of electron    2497.9999951 magnetization 
 augmentation part      162.7120925 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8699
  0.8699

  free energy =  -0.456778481051E+04  energy without entropy=  -0.456793472839E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   50(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3720
 total energy-change (2. order) : 0.4157668E-01  (-0.2738395E-01)
 number of electron    2497.9999951 magnetization 
 augmentation part      162.6683011 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4142
  1.0882  1.7402

  free energy =  -0.456774323383E+04  energy without entropy=  -0.456789396287E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   50(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) :-0.1680150E-02  (-0.2031841E-01)
 number of electron    2497.9999951 magnetization 
 augmentation part      162.6267091 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2821
  2.1761  0.8893  0.7810

  free energy =  -0.456774491398E+04  energy without entropy=  -0.456789497852E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   50(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) :-0.2253234E-02  (-0.4588586E-02)
 number of electron    2497.9999951 magnetization 
 augmentation part      162.6299140 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3056
  2.3490  0.8970  0.9881  0.9881

  free energy =  -0.456774716722E+04  energy without entropy=  -0.456789778849E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   50(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) : 0.1854987E-02  (-0.2247672E-02)
 number of electron    2497.9999951 magnetization 
 augmentation part      162.6348941 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2542
  2.3885  1.0625  1.0625  0.8788  0.8788

  free energy =  -0.456774531223E+04  energy without entropy=  -0.456789554509E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   50(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) :-0.9044461E-04  (-0.4556806E-03)
 number of electron    2497.9999951 magnetization 
 augmentation part      162.6374478 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2277
  2.4222  0.9348  0.9348  1.1995  1.1995  0.6755

  free energy =  -0.456774540267E+04  energy without entropy=  -0.456789609807E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   50(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) : 0.1212405E-03  (-0.6324351E-04)
 number of electron    2497.9999951 magnetization 
 augmentation part      162.6404952 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2318
  2.4798  1.0545  1.0545  1.2775  1.2775  0.8640  0.6146

  free energy =  -0.456774528143E+04  energy without entropy=  -0.456789567843E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   50(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) :-0.3968627E-05  (-0.5361710E-04)
 number of electron    2497.9999951 magnetization 
 augmentation part      162.6397363 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2285
  2.5065  1.0279  1.0279  1.4327  1.2957  0.9657  0.9657  0.6059

  free energy =  -0.456774528540E+04  energy without entropy=  -0.456789572410E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   50(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3408
 total energy-change (2. order) :-0.1774656E-04  (-0.7364071E-05)
 number of electron    2497.9999951 magnetization 
 augmentation part      162.6395745 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2391
  2.5970  1.8555  1.0573  1.0573  1.2551  0.9387  0.9387  0.8483  0.6042

  free energy =  -0.456774530315E+04  energy without entropy=  -0.456789574487E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   50(  11)  ---------------------------------------



 eigenvalue-minimisations  :  2536
 total energy-change (2. order) :-0.1654116E-04  (-0.2093756E-05)
 number of electron    2497.9999951 magnetization 
 augmentation part      162.6392877 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2389
  2.6250  1.9286  1.3900  1.0489  1.0489  0.9455  0.9455  0.9243  0.9243  0.6080

  free energy =  -0.456774531969E+04  energy without entropy=  -0.456789575179E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   50(  12)  ---------------------------------------



 eigenvalue-minimisations  :  2184
 total energy-change (2. order) :-0.1468597E-04  (-0.4339776E-06)
 number of electron    2497.9999951 magnetization 
 augmentation part      162.6393432 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2845
  2.6551  2.3154  1.4176  1.4176  1.0561  1.0561  0.9298  0.9298  0.8706  0.8706
  0.6105

  free energy =  -0.456774533437E+04  energy without entropy=  -0.456789577143E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   50(  13)  ---------------------------------------



 eigenvalue-minimisations  :  2256
 total energy-change (2. order) :-0.1889971E-04  (-0.3492650E-06)
 number of electron    2497.9999951 magnetization 
 augmentation part      162.6395002 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3135
  3.0270  2.4937  1.4808  1.4808  1.0506  1.0506  0.9416  0.9416  0.9535  0.9535
  0.6108  0.7780

  free energy =  -0.456774535327E+04  energy without entropy=  -0.456789578566E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   50(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2192
 total energy-change (2. order) :-0.1099438E-04  (-0.2358219E-06)
 number of electron    2497.9999951 magnetization 
 augmentation part      162.6395033 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3515
  3.4623  2.5524  1.4833  1.4833  1.0684  1.0684  1.2138  1.2138  0.9217  0.9217
  0.8398  0.6116  0.7285

  free energy =  -0.456774536427E+04  energy without entropy=  -0.456789579536E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   50(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2176
 total energy-change (2. order) :-0.7039722E-05  (-0.1267251E-06)
 number of electron    2497.9999951 magnetization 
 augmentation part      162.6395033 magnetization 

  free energy =  -0.456774537131E+04  energy without entropy=  -0.456789580316E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0479       2 -56.1561       3 -56.0800       4 -55.8164       5 -55.8289
       6 -56.3018       7 -58.1687       8 -58.2512       9 -56.2776      10 -55.9704
      11 -56.0284      12 -55.8161      13 -55.8044      14 -55.9921      15 -58.0956
      16 -58.1063      17 -56.3437      18 -54.9672      19 -54.9068      20 -55.1141
      21 -55.6436      22 -55.6550      23 -55.7258      24 -55.6233      25 -54.9395
      26 -54.8345      27 -54.9436      28 -54.9103      29 -60.4082      30 -60.3674
      31 -55.6403      32 -55.8254      33 -55.7346      34 -55.2871      35 -55.4915
      36 -55.9695      37 -57.8290      38 -58.0375      39 -56.0767      40 -55.8076
      41 -55.9236      42 -55.7134      43 -55.7442      44 -55.9052      45 -58.1117
      46 -58.1563      47 -56.4453      48 -55.1265      49 -54.9741      50 -55.2724
      51 -55.8995      52 -55.8672      53 -55.7430      54 -55.6997      55 -55.0616
      56 -54.8208      57 -54.9624      58 -56.3282      59 -60.3512      60 -60.6141
      61 -56.0328      62 -56.0891      63 -55.9699      64 -55.7950      65 -55.7778
      66 -56.2577      67 -58.0996      68 -58.1566      69 -56.2564      70 -55.9186
      71 -56.0244      72 -55.7461      73 -55.6875      74 -55.9288      75 -58.0843
      76 -58.1735      77 -56.4447      78 -55.0933      79 -54.9893      80 -55.2401
      81 -55.8324      82 -55.8542      83 -55.9082      84 -55.9231      85 -55.1809
      86 -55.0877      87 -55.2005      88 -56.4360      89 -60.7215      90 -60.4568
      91 -55.7199      92 -55.8479      93 -55.7581      94 -55.4816      95 -55.5577
      96 -56.0386      97 -57.9029      98 -58.0232      99 -56.1604     100 -55.9179
     101 -56.0366     102 -55.6827     103 -55.7298     104 -55.9556     105 -58.1247
     106 -58.2353     107 -56.4750     108 -55.1421     109 -54.9693     110 -55.3916
     111 -55.9639     112 -55.8711     113 -55.7895     114 -55.7889     115 -55.1040
     116 -54.9358     117 -55.0243     118 -56.3712     119 -60.4166     120 -60.6132
     121 -55.9156     122 -55.9849     123 -55.8634     124 -55.7327     125 -55.7538
     126 -56.1466     127 -58.0631     128 -58.1820     129 -56.0705     130 -55.7622
     131 -55.8519     132 -55.6344     133 -55.5638     134 -55.7876     135 -57.9165
     136 -58.0021     137 -56.4114     138 -55.0871     139 -54.9438     140 -55.2279
     141 -55.8318     142 -55.8463     143 -55.9312     144 -55.9239     145 -55.1807
     146 -55.1343     147 -55.2158     148 -56.4312     149 -60.5982     150 -60.5673
     151 -55.5856     152 -55.6337     153 -55.4876     154 -55.3112     155 -55.4252
     156 -55.8650     157 -57.9061     158 -57.8707     159 -55.9581     160 -55.7221
     161 -55.8835     162 -55.5088     163 -55.5650     164 -55.7894     165 -57.9889
     166 -58.0958     167 -56.4587     168 -55.0717     169 -54.8898     170 -55.3103
     171 -55.9434     172 -55.9165     173 -55.8054     174 -55.7267     175 -55.2814
     176 -54.7786     177 -54.9909     178 -56.4228     179 -60.4451     180 -60.6261
     181 -55.9202     182 -56.1017     183 -55.9469     184 -55.6811     185 -55.6803
     186 -56.2088     187 -58.0084     188 -58.2492     189 -56.2253     190 -55.8773
     191 -56.0073     192 -55.7390     193 -55.7063     194 -55.9332     195 -58.0879
     196 -58.2051     197 -56.4845     198 -55.0497     199 -54.9508     200 -55.2549
     201 -55.8770     202 -55.9410     203 -55.8773     204 -55.8117     205 -55.1043
     206 -55.2165     207 -55.1392     208 -56.4163     209 -60.7153     210 -60.5086
     211 -55.9507     212 -56.1009     213 -55.9596     214 -55.7260     215 -55.6935
     216 -56.2051     217 -58.0795     218 -58.2525     219 -56.1015     220 -55.8030
     221 -55.9060     222 -55.5893     223 -55.4917     224 -55.8036     225 -57.9846
     226 -58.1214     227 -56.5130     228 -55.1179     229 -55.0547     230 -55.2476
     231 -55.7649     232 -55.9392     233 -55.9569     234 -55.6978     235 -55.0125
     236 -55.1133     237 -55.1721     238 -56.4282     239 -60.3754     240 -60.3671
     241 -55.9558     242 -56.0046     243 -55.8892     244 -55.7470     245 -55.7741
     246 -56.1923     247 -58.0795     248 -58.1365     249 -56.1827     250 -55.8794
     251 -55.9695     252 -55.7420     253 -55.7105     254 -55.8901     255 -57.9620
     256 -58.0734     257 -56.3511     258 -55.0517     259 -54.8917     260 -55.1874
     261 -55.7871     262 -55.8012     263 -55.8634     264 -55.9470     265 -55.3241
     266 -54.9606     267 -55.1483     268 -56.4196     269 -60.6541     270 -60.3689
     271 -55.8782     272 -55.9559     273 -55.7874     274 -55.6876     275 -55.6618
     276 -56.0589     277 -58.0881     278 -58.1754     279 -55.9317     280 -55.6807
     281 -55.7643     282 -55.5146     283 -55.4677     284 -55.7621     285 -58.0581
     286 -57.9839     287 -56.3887     288 -54.9653     289 -54.9305     290 -55.2702
     291 -55.8778     292 -55.8529     293 -55.8219     294 -55.7784     295 -55.1251
     296 -54.9145     297 -55.0080     298 -56.3603     299 -60.4040     300 -60.5596
     301 -55.8600     302 -56.0024     303 -55.9008     304 -55.5831     305 -55.6191
     306 -56.1057     307 -58.0782     308 -58.2223     309 -56.1143     310 -55.8036
     311 -55.9348     312 -55.6673     313 -55.6221     314 -55.8626     315 -58.0140
     316 -58.0701     317 -56.3953     318 -55.0164     319 -54.8569     320 -55.2169
     321 -55.7937     322 -55.7570     323 -55.8945     324 -55.9023     325 -55.1775
     326 -55.1158     327 -55.2396     328 -56.4474     329 -60.6150     330 -60.4192
     331 -55.7651     332 -55.7754     333 -55.6797     334 -55.5975     335 -55.5795
     336 -56.0306     337 -57.9760     338 -57.9518     339 -55.8846     340 -55.5449
     341 -55.6844     342 -55.5258     343 -55.5063     344 -55.6970     345 -57.9954
     346 -57.9293     347 -56.4045     348 -54.9523     349 -54.9258     350 -55.2221
     351 -55.8012     352 -55.8172     353 -55.7859     354 -55.7511     355 -55.2026
     356 -54.8919     357 -54.9948     358 -56.4056     359 -60.4498     360 -60.5347
     361 -39.0960     362 -38.8208     363 -38.9786     364 -39.0563     365 -38.9596
     366 -38.7504     367 -38.0834     368 -38.0631     369 -38.0968     370 -38.1611
     371 -38.1847     372 -38.2387     373 -38.7574     374 -38.3245     375 -38.6417
     376 -38.8001     377 -38.8305     378 -38.7622     379 -38.1476     380 -38.1312
     381 -38.2274     382 -38.0445     383 -38.2162     384 -38.0004     385 -38.8470
     386 -38.8062     387 -38.8644     388 -38.8604     389 -38.8223     390 -38.5464
     391 -38.2464     392 -38.1671     393 -38.2050     394 -38.1491     395 -38.2608
     396 -38.2917     397 -38.7307     398 -38.4238     399 -38.7107     400 -38.8615
     401 -38.7280     402 -38.7686     403 -38.2182     404 -38.1623     405 -38.3506
     406 -38.1643     407 -38.1031     408 -37.9425     409 -38.7427     410 -38.7640
     411 -38.9484     412 -38.6754     413 -38.8421     414 -38.5719     415 -38.2371
     416 -38.2294     417 -38.1518     418 -38.1119     419 -38.1796     420 -38.3160
     421 -38.5133     422 -38.2596     423 -38.4882     424 -38.6440     425 -38.5664
     426 -38.6356     427 -38.2050     428 -38.0766     429 -38.3152     430 -38.2585
     431 -38.0577     432 -37.9774     433 -38.7553     434 -38.7114     435 -38.9656
     436 -38.7156     437 -38.9648     438 -38.7301     439 -38.4226     440 -38.1156
     441 -38.2835     442 -38.1733     443 -38.2168     444 -38.0945     445 -38.8362
     446 -38.8007     447 -38.9118     448 -38.7395     449 -38.7854     450 -38.3685
     451 -38.1373     452 -37.9486     453 -38.1486     454 -37.9960     455 -38.0848
     456 -38.1446     457 -38.8837     458 -38.6784     459 -38.8463     460 -38.8385
     461 -38.8240     462 -38.6420     463 -38.1334     464 -38.2467     465 -38.1205
     466 -38.4711     467 -38.1029     468 -38.1639     469 -38.8972     470 -38.7235
     471 -38.6680     472 -38.7208     473 -38.5115     474 -38.3887     475 -38.1302
     476 -38.0211     477 -38.1553     478 -38.0482     479 -38.1534     480 -37.9810
     481 -38.8179     482 -38.7542     483 -38.8464     484 -38.8013     485 -38.8785
     486 -38.7475     487 -38.2092     488 -38.1802     489 -38.1831     490 -38.2754
     491 -38.2059     492 -38.3034     493 -38.7908     494 -38.5732     495 -38.6383
     496 -38.6342     497 -38.4887     498 -38.4817     499 -38.1308     500 -37.9490
     501 -38.2169     502 -38.1581     503 -38.1131     504 -37.9810     505 -38.2801
     506 -41.0604     507 -71.7111     508 -71.5659     509 -71.4355     510 -71.6363
     511 -71.5827     512 -71.5812     513 -71.4372     514 -71.6576     515 -71.5765
     516 -71.3901     517 -71.3811     518 -71.5538     519 -71.5158     520 -71.6448
     521 -71.5089     522 -71.4575     523 -71.5705     524 -71.4848     525 -71.6292
     526 -71.4737     527 -71.6101     528 -71.4778     529 -71.2140     530 -71.4428
     531 -76.8995     532 -76.8233     533 -76.8095     534 -76.7608     535 -76.6867
     536 -76.5642     537 -76.8165     538 -76.7777     539 -76.7358     540 -76.6501
     541 -76.8389     542 -76.7460     543 -76.6771     544 -76.5999     545 -76.8911
     546 -76.7656     547 -76.8471     548 -76.7751     549 -76.6975     550 -76.6027
     551 -76.5841     552 -76.5948     553 -76.6774     554 -76.6939     555 -76.9163
     556 -76.7218     557 -76.9010     558 -76.7846     559 -76.8959     560 -76.7439
     561 -76.7894     562 -76.6904     563 -76.8050     564 -76.7209     565 -76.7256
     566 -76.6082     567 -76.8593     568 -76.7452     569 -76.5691     570 -76.8307
     571 -76.8939     572 -76.7583     573 -76.7588     574 -76.7149     575 -76.6299
     576 -76.6162     577 -76.6151     578 -76.7596     579 -82.3201     580 -82.3442
     581 -82.3614     582 -82.3423     583 -82.2794     584 -82.3013     585 -82.4977
     586 -82.5248     587 -82.5603     588 -82.2045     589 -82.1651     590 -82.4105
     591 -82.4079     592 -82.2679     593 -82.4113     594 -82.6445     595 -82.5768
     596 -82.7254     597 -82.4981     598 -82.4731     599 -82.5933     600 -82.2619
     601 -82.2394     602 -82.2872     603 -82.5144     604 -82.3743     605 -82.6615
     606 -82.3361     607 -82.3811     608 -82.6189     609 -82.6305     610 -82.3208
     611 -82.5617     612 -82.4209     613 -82.2869     614 -82.3259     615 -82.4898
     616 -82.4974     617 -82.3899     618 -82.7630     619 -82.8031     620 -82.7144
     621 -82.2622     622 -82.3637     623 -82.3870     624 -82.2772     625 -82.5095
     626 -82.1485     627 -82.1399     628 -82.2776     629 -82.2957     630 -82.3753
     631 -82.7425     632 -82.4438     633 -82.4246     634 -82.4902     635 -82.4858
     636 -82.2938     637 -82.3871     638 -82.2420     639 -82.2634     640 -82.3390
     641 -82.3929     642 -82.3915     643 -82.5984     644 -82.5026     645 -82.4072
     646 -82.4545     647 -82.5805     648 -82.3692     649 -82.3274     650 -82.2652
 
 
 
 E-fermi :  -1.4528     XC(G=0):  -6.4840     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.2868      2.00000
      2     -28.9910      2.00000
      3     -28.9868      2.00000
      4     -28.9794      2.00000
      5     -28.9499      2.00000
      6     -28.9383      2.00000
      7     -28.9159      2.00000
      8     -28.8966      2.00000
      9     -28.8928      2.00000
     10     -28.8719      2.00000
     11     -28.8659      2.00000
     12     -28.8454      2.00000
     13     -28.8255      2.00000
     14     -28.8074      2.00000
     15     -28.7291      2.00000
     16     -28.7241      2.00000
     17     -28.7040      2.00000
     18     -28.6831      2.00000
     19     -28.6814      2.00000
     20     -28.6480      2.00000
     21     -28.6226      2.00000
     22     -28.6171      2.00000
     23     -28.5975      2.00000
     24     -28.5525      2.00000
     25     -27.0098      2.00000
     26     -26.8399      2.00000
     27     -26.7136      2.00000
     28     -26.7033      2.00000
     29     -26.6888      2.00000
     30     -26.6875      2.00000
     31     -26.6400      2.00000
     32     -26.6286      2.00000
     33     -26.6164      2.00000
     34     -26.5993      2.00000
     35     -26.5840      2.00000
     36     -26.5808      2.00000
     37     -26.5736      2.00000
     38     -26.5557      2.00000
     39     -26.5425      2.00000
     40     -26.5249      2.00000
     41     -26.5179      2.00000
     42     -26.5173      2.00000
     43     -26.5081      2.00000
     44     -26.5048      2.00000
     45     -26.4919      2.00000
     46     -26.4664      2.00000
     47     -26.4615      2.00000
     48     -26.4499      2.00000
     49     -26.4460      2.00000
     50     -26.4444      2.00000
     51     -26.4438      2.00000
     52     -26.4392      2.00000
     53     -26.4267      2.00000
     54     -26.4222      2.00000
     55     -26.4114      2.00000
     56     -26.4021      2.00000
     57     -26.3958      2.00000
     58     -26.3855      2.00000
     59     -26.3837      2.00000
     60     -26.3786      2.00000
     61     -26.3573      2.00000
     62     -26.3296      2.00000
     63     -26.3270      2.00000
     64     -26.3079      2.00000
     65     -26.3002      2.00000
     66     -26.3000      2.00000
     67     -26.2774      2.00000
     68     -26.2613      2.00000
     69     -26.2512      2.00000
     70     -26.2344      2.00000
     71     -26.2297      2.00000
     72     -26.1983      2.00000
     73     -23.2844      2.00000
     74     -23.2423      2.00000
     75     -23.2331      2.00000
     76     -23.1858      2.00000
     77     -23.1698      2.00000
     78     -23.1605      2.00000
     79     -23.1547      2.00000
     80     -23.1505      2.00000
     81     -23.1420      2.00000
     82     -23.1355      2.00000
     83     -23.1188      2.00000
     84     -23.1138      2.00000
     85     -23.1021      2.00000
     86     -23.0939      2.00000
     87     -23.0832      2.00000
     88     -23.0680      2.00000
     89     -23.0355      2.00000
     90     -23.0107      2.00000
     91     -23.0011      2.00000
     92     -22.9995      2.00000
     93     -22.9906      2.00000
     94     -22.9644      2.00000
     95     -22.9262      2.00000
     96     -22.9023      2.00000
     97     -22.8080      2.00000
     98     -22.7839      2.00000
     99     -22.7778      2.00000
    100     -22.7673      2.00000
    101     -22.7572      2.00000
    102     -22.7431      2.00000
    103     -22.7200      2.00000
    104     -22.7118      2.00000
    105     -22.7093      2.00000
    106     -22.7008      2.00000
    107     -22.6865      2.00000
    108     -22.6808      2.00000
    109     -22.6697      2.00000
    110     -22.6670      2.00000
    111     -22.6502      2.00000
    112     -22.6192      2.00000
    113     -22.6088      2.00000
    114     -22.5869      2.00000
    115     -22.5777      2.00000
    116     -22.5538      2.00000
    117     -22.5218      2.00000
    118     -22.5117      2.00000
    119     -22.5028      2.00000
    120     -22.3973      2.00000
    121     -20.5138      2.00000
    122     -20.4347      2.00000
    123     -20.4293      2.00000
    124     -20.4192      2.00000
    125     -20.4179      2.00000
    126     -20.3302      2.00000
    127     -20.3173      2.00000
    128     -20.3095      2.00000
    129     -20.3018      2.00000
    130     -20.2873      2.00000
    131     -20.2753      2.00000
    132     -20.2620      2.00000
    133     -20.2588      2.00000
    134     -20.2542      2.00000
    135     -20.2441      2.00000
    136     -20.2374      2.00000
    137     -20.2351      2.00000
    138     -20.1821      2.00000
    139     -20.1526      2.00000
    140     -20.1446      2.00000
    141     -20.1316      2.00000
    142     -20.1025      2.00000
    143     -20.0871      2.00000
    144     -20.0245      2.00000
    145     -18.6843      2.00000
    146     -18.5416      2.00000
    147     -18.5237      2.00000
    148     -18.5123      2.00000
    149     -18.5021      2.00000
    150     -18.4985      2.00000
    151     -18.4594      2.00000
    152     -18.4554      2.00000
    153     -18.4438      2.00000
    154     -18.4025      2.00000
    155     -18.3610      2.00000
    156     -18.3576      2.00000
    157     -18.3518      2.00000
    158     -18.2440      2.00000
    159     -18.2369      2.00000
    160     -18.2217      2.00000
    161     -18.2153      2.00000
    162     -18.2047      2.00000
    163     -18.1785      2.00000
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   1302       1.9028     -0.00000
   1303       1.9332     -0.00000
   1304       1.9920     -0.00000
   1305       1.9980     -0.00000
   1306       2.0365     -0.00000
   1307       2.0573     -0.00000
   1308       2.0723     -0.00000
   1309       2.0970     -0.00000
   1310       2.1123     -0.00000
   1311       2.1378     -0.00000
   1312       2.1432     -0.00000
   1313       2.1624     -0.00000
   1314       2.1731     -0.00000
   1315       2.1958     -0.00000
   1316       2.2155     -0.00000
   1317       2.2215     -0.00000
   1318       2.2292     -0.00000
   1319       2.2554     -0.00000
   1320       2.3179     -0.00000
   1321       2.3326     -0.00000
   1322       2.3719     -0.00000
   1323       2.4183     -0.00000
   1324       2.4341     -0.00000
   1325       2.4689     -0.00000
   1326       2.4970     -0.00000
   1327       2.5042     -0.00000
   1328       2.5183     -0.00000
   1329       2.5261     -0.00000
   1330       2.5495     -0.00000
   1331       2.5578     -0.00000
   1332       2.5750     -0.00000
   1333       2.5771     -0.00000
   1334       2.5940     -0.00000
   1335       2.6009     -0.00000
   1336       2.6063     -0.00000
   1337       2.6476     -0.00000
   1338       2.6593     -0.00000
   1339       2.6660     -0.00000
   1340       2.6749     -0.00000
   1341       2.6865     -0.00000
   1342       2.6958     -0.00000
   1343       2.7396     -0.00000
   1344       2.7826     -0.00000
   1345       2.7960     -0.00000
   1346       2.9488     -0.00000
   1347       2.9871     -0.00000
   1348       3.0060     -0.00000
   1349       3.0206     -0.00000
   1350       3.0286     -0.00000
   1351       3.0544     -0.00000
   1352       3.0662     -0.00000
   1353       3.1029     -0.00000
   1354       3.1194     -0.00000
   1355       3.1357     -0.00000
   1356       3.1521     -0.00000
   1357       3.1677     -0.00000
   1358       3.2009     -0.00000
   1359       3.2230     -0.00000
   1360       3.2359     -0.00000
   1361       3.2882     -0.00000
   1362       3.3891     -0.00000
   1363       3.4586     -0.00000
   1364       3.5109     -0.00000
   1365       3.5914     -0.00000
   1366       3.6355     -0.00000
   1367       3.6675     -0.00000
   1368       3.7055     -0.00000
   1369       3.7490     -0.00000
   1370       3.7532     -0.00000
   1371       3.7807     -0.00000
   1372       3.8149     -0.00000
   1373       3.8291     -0.00000
   1374       3.8547     -0.00000
   1375       3.8643     -0.00000
   1376       3.8861      0.00000
   1377       3.8959      0.00000
   1378       3.9042      0.00000
   1379       3.9258      0.00000
   1380       3.9349      0.00000
   1381       3.9531      0.00000
   1382       3.9638      0.00000
   1383       3.9753      0.00000
   1384       3.9849      0.00000
   1385       4.0106      0.00000
   1386       4.0163      0.00000
   1387       4.0332      0.00000
   1388       4.0384      0.00000
   1389       4.0462      0.00000
   1390       4.0561      0.00000
   1391       4.0832      0.00000
   1392       4.0998      0.00000
   1393       4.1030      0.00000
   1394       4.1075      0.00000
   1395       4.1253      0.00000
   1396       4.1263      0.00000
   1397       4.1392      0.00000
   1398       4.1554      0.00000
   1399       4.1671      0.00000
   1400       4.1801      0.00000
   1401       4.1994      0.00000
   1402       4.2118      0.00000
   1403       4.2358      0.00000
   1404       4.2418      0.00000
   1405       4.2629      0.00000
   1406       4.2759      0.00000
   1407       4.2805      0.00000
   1408       4.2982      0.00000
   1409       4.3037      0.00000
   1410       4.3268      0.00000
   1411       4.3372      0.00000
   1412       4.3412      0.00000
   1413       4.3538      0.00000
   1414       4.3796      0.00000
   1415       4.3979      0.00000
   1416       4.4067      0.00000
   1417       4.4196      0.00000
   1418       4.4240      0.00000
   1419       4.4459      0.00000
   1420       4.4690      0.00000
   1421       4.4709      0.00000
   1422       4.4838      0.00000
   1423       4.4943      0.00000
   1424       4.5023      0.00000
   1425       4.5483      0.00000
   1426       4.5567      0.00000
   1427       4.5838      0.00000
   1428       4.5861      0.00000
   1429       4.5887      0.00000
   1430       4.6348      0.00000
   1431       4.6455      0.00000
   1432       4.6724      0.00000
   1433       4.6874      0.00000
   1434       4.7047      0.00000
   1435       4.7574      0.00000
   1436       4.7881      0.00000
   1437       4.8072      0.00000
   1438       4.8216      0.00000
   1439       4.8411      0.00000
   1440       4.8523      0.00000
   1441       4.8637      0.00000
   1442       4.8797      0.00000
   1443       4.8961      0.00000
   1444       4.9298      0.00000
   1445       4.9454      0.00000
   1446       4.9605      0.00000
   1447       4.9676      0.00000
   1448       4.9857      0.00000
   1449       4.9989      0.00000
   1450       5.0136      0.00000
   1451       5.0220      0.00000
   1452       5.0413      0.00000
   1453       5.0655      0.00000
   1454       5.0839      0.00000
   1455       5.0938      0.00000
   1456       5.1124      0.00000
   1457       5.1224      0.00000
   1458       5.1369      0.00000
   1459       5.1427      0.00000
   1460       5.1550      0.00000
   1461       5.1765      0.00000
   1462       5.2172      0.00000
   1463       5.2230      0.00000
   1464       5.2247      0.00000
   1465       5.2409      0.00000
   1466       5.2493      0.00000
   1467       5.2626      0.00000
   1468       5.2743      0.00000
   1469       5.2830      0.00000
   1470       5.2968      0.00000
   1471       5.3022      0.00000
   1472       5.3192      0.00000
   1473       5.3283      0.00000
   1474       5.3522      0.00000
   1475       5.3608      0.00000
   1476       5.3684      0.00000
   1477       5.3767      0.00000
   1478       5.3856      0.00000
   1479       5.3945      0.00000
   1480       5.3999      0.00000
   1481       5.4095      0.00000
   1482       5.4230      0.00000
   1483       5.4257      0.00000
   1484       5.4418      0.00000
   1485       5.4511      0.00000
   1486       5.4647      0.00000
   1487       5.4669      0.00000
   1488       5.4733      0.00000
   1489       5.4781      0.00000
   1490       5.4920      0.00000
   1491       5.5055      0.00000
   1492       5.5124      0.00000
   1493       5.5198      0.00000
   1494       5.5254      0.00000
   1495       5.5380      0.00000
   1496       5.5460      0.00000
   1497       5.5515      0.00000
   1498       5.5577      0.00000
   1499       5.5662      0.00000
   1500       5.5789      0.00000
   1501       5.5853      0.00000
   1502       5.6023      0.00000
   1503       5.6108      0.00000
   1504       5.6193      0.00000
   1505       5.6361      0.00000
   1506       5.6521      0.00000
   1507       5.6546      0.00000
   1508       5.6644      0.00000
   1509       5.6696      0.00000
   1510       5.6871      0.00000
   1511       5.6887      0.00000
   1512       5.6976      0.00000
   1513       5.7044      0.00000
   1514       5.7130      0.00000
   1515       5.7195      0.00000
   1516       5.7370      0.00000
   1517       5.7453      0.00000
   1518       5.7556      0.00000
   1519       5.7729      0.00000
   1520       5.7803      0.00000
   1521       5.7907      0.00000
   1522       5.7983      0.00000
   1523       5.8089      0.00000
   1524       5.8156      0.00000
   1525       5.8245      0.00000
   1526       5.8321      0.00000
   1527       5.8410      0.00000
   1528       5.8578      0.00000
   1529       5.8625      0.00000
   1530       5.8768      0.00000
   1531       5.8911      0.00000
   1532       5.8993      0.00000
   1533       5.9022      0.00000
   1534       5.9194      0.00000
   1535       5.9239      0.00000
   1536       5.9284      0.00000
   1537       5.9392      0.00000
   1538       5.9465      0.00000
   1539       5.9546      0.00000
   1540       5.9642      0.00000
   1541       5.9729      0.00000
   1542       5.9858      0.00000
   1543       5.9963      0.00000
   1544       6.0054      0.00000
   1545       6.0166      0.00000
   1546       6.0184      0.00000
   1547       6.0233      0.00000
   1548       6.0284      0.00000
   1549       6.0368      0.00000
   1550       6.0457      0.00000
   1551       6.0595      0.00000
   1552       6.0606      0.00000
   1553       6.0836      0.00000
   1554       6.0866      0.00000
   1555       6.0973      0.00000
   1556       6.1046      0.00000
   1557       6.1191      0.00000
   1558       6.1261      0.00000
   1559       6.1449      0.00000
   1560       6.1461      0.00000
   1561       6.1544      0.00000
   1562       6.1691      0.00000
   1563       6.1728      0.00000
   1564       6.1776      0.00000
   1565       6.1843      0.00000
   1566       6.1898      0.00000
   1567       6.1970      0.00000
   1568       6.2082      0.00000
   1569       6.2163      0.00000
   1570       6.2201      0.00000
   1571       6.2343      0.00000
   1572       6.2425      0.00000
   1573       6.2498      0.00000
   1574       6.2578      0.00000
   1575       6.2686      0.00000
   1576       6.2771      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.089  13.413  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.413  17.833  -0.001   0.002  -0.000   0.002  -0.006   0.000
 -0.001  -0.001  -4.233   0.003   0.001   8.279  -0.004  -0.001
  0.001   0.002   0.003  -4.234   0.001  -0.004   8.279  -0.001
 -0.000  -0.000   0.001   0.001  -4.226  -0.001  -0.001   8.270
  0.002   0.002   8.279  -0.004  -0.001 -18.323   0.007   0.002
 -0.004  -0.006  -0.004   8.279  -0.001   0.007 -18.320  -0.000
  0.000   0.000  -0.001  -0.001   8.270   0.002  -0.000 -18.313
 total augmentation occupancy for first ion, spin component:           1
  8.497  -3.831   0.186   0.131  -0.040   0.024   0.025  -0.007
 -3.831   1.800  -0.095  -0.088   0.023  -0.010  -0.015   0.004
  0.186  -0.095   1.779  -0.065  -0.040   0.168  -0.011  -0.008
  0.131  -0.088  -0.065   1.912  -0.078  -0.011   0.179  -0.011
 -0.040   0.023  -0.040  -0.078   1.224  -0.008  -0.010   0.081
  0.024  -0.010   0.168  -0.011  -0.008   0.018  -0.002  -0.001
  0.025  -0.015  -0.011   0.179  -0.010  -0.002   0.018  -0.001
 -0.007   0.004  -0.008  -0.011   0.081  -0.001  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -51680.04412 97456.21674 25954.81567-11559.85901  6730.97250 21197.47467
  Hartree  3830.44185124351.86863 64059.93581-11924.61633  4710.84360 15572.85306
  E(xc)  -10733.40418-10586.90602-10630.01118     2.66077     7.98012    32.05760
  Local   14429.23860************************ 23474.44527-11471.79659-36194.24482
  n-local -5845.67063 -5973.16902 -6030.95675     3.61396    17.30732   -62.27495
  augment  1493.77942  1535.92133  1487.42878     5.35345    13.00217    -2.55644
  Kinetic 45511.46458 43202.75175 43677.13721   -21.04619   -67.85766  -551.93244
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -86.3357448   -435.5640178   -145.2543780    -19.4480823    -59.5485371     -8.6233167
  in kB      -14.3971765    -72.6337864    -24.2223302     -3.2431234     -9.9301952     -1.4380071
  external PRESSURE =     -37.0844310 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.242E+03 -.114E+03 0.249E+03   0.242E+03 0.115E+03 -.251E+03   -.649E-01 -.628E+00 0.130E+01   0.299E-03 0.295E-04 -.131E-03
   -.201E+03 -.140E+03 0.579E+02   0.201E+03 0.141E+03 -.574E+02   0.154E+00 -.131E+01 -.336E+00   0.202E-03 0.732E-05 -.818E-04
   -.171E+03 -.127E+03 0.241E+01   0.170E+03 0.128E+03 -.750E+00   0.324E+00 -.123E+01 -.169E+01   0.137E-03 -.234E-04 -.638E-04
   -.225E+03 -.102E+03 0.344E+03   0.225E+03 0.102E+03 -.347E+03   -.164E+00 0.211E+00 0.249E+01   0.375E-03 0.381E-04 -.259E-03
   -.174E+03 -.149E+03 0.306E+03   0.174E+03 0.150E+03 -.307E+03   0.158E+00 -.737E+00 0.115E+01   0.268E-03 0.526E-05 -.283E-03
   -.157E+03 -.112E+03 0.169E+03   0.157E+03 0.112E+03 -.169E+03   0.120E+00 -.346E-01 0.107E+00   0.113E-03 -.383E-04 -.130E-03
   -.245E+03 -.131E+03 0.186E+03   0.244E+03 0.135E+03 -.187E+03   0.671E+00 -.441E+01 0.940E+00   0.321E-03 0.983E-04 -.661E-04
   -.184E+03 -.120E+03 0.327E+02   0.185E+03 0.124E+03 -.345E+02   -.407E+00 -.419E+01 0.197E+01   0.202E-03 0.282E-04 0.143E-05
   -.116E+03 0.610E+01 0.197E+03   0.116E+03 -.610E+01 -.198E+03   -.386E-01 0.722E-01 0.275E-01   0.203E-04 0.598E-06 -.130E-03
   -.873E+02 0.886E+02 0.636E+02   0.868E+02 -.901E+02 -.624E+02   0.476E+00 0.138E+01 -.118E+01   0.102E-04 -.350E-05 -.240E-04
   -.978E+02 0.107E+03 0.138E+03   0.975E+02 -.109E+03 -.138E+03   0.248E+00 0.100E+01 0.124E+00   -.282E-04 0.123E-04 -.534E-04
   -.114E+03 0.378E+00 0.335E+03   0.114E+03 -.635E+00 -.336E+03   -.759E-01 0.289E+00 0.122E+01   0.259E-04 0.530E-04 -.316E-03
   -.117E+03 -.369E+02 0.367E+03   0.117E+03 0.377E+02 -.369E+03   -.109E-01 -.113E+01 0.221E+01   -.345E-04 0.135E-03 -.350E-03
   -.126E+03 0.269E+02 0.307E+03   0.126E+03 -.268E+02 -.309E+03   -.327E+00 0.101E+00 0.147E+01   -.730E-04 0.665E-04 -.194E-03
   -.117E+03 0.113E+03 0.273E+03   0.117E+03 -.117E+03 -.275E+03   0.561E+00 0.395E+01 0.227E+01   -.349E-04 0.633E-04 -.229E-03
   -.916E+02 0.119E+03 0.109E+03   0.915E+02 -.121E+03 -.112E+03   0.205E+00 0.300E+01 0.343E+01   0.267E-04 -.161E-04 -.579E-04
   -.829E+02 0.115E+03 0.587E+02   0.832E+02 -.110E+03 -.544E+02   -.343E+00 -.452E+01 -.411E+01   0.393E-04 -.491E-04 -.629E-04
   -.150E+02 0.204E+03 -.153E+03   0.144E+02 -.206E+03 0.155E+03   0.693E+00 0.188E+01 -.203E+01   0.734E-04 -.692E-04 0.822E-04
   0.212E+02 0.152E+03 -.202E+03   -.214E+02 -.153E+03 0.204E+03   0.242E+00 0.315E+00 -.177E+01   0.607E-04 -.303E-04 0.149E-03
   -.761E+02 0.119E+03 0.183E+03   0.771E+02 -.118E+03 -.186E+03   -.102E+01 -.820E+00 0.306E+01   0.501E-04 0.307E-04 -.910E-04
   -.862E+01 0.746E+02 -.423E+01   0.744E+01 -.762E+02 0.569E+01   0.109E+01 0.158E+01 -.112E+01   0.495E-04 0.257E-04 -.164E-04
   -.551E+01 0.139E+02 -.137E+03   0.554E+01 -.141E+02 0.138E+03   0.159E+00 0.191E+00 -.875E+00   0.560E-04 0.488E-04 0.656E-04
   -.480E+02 -.303E+02 -.178E+03   0.483E+02 0.305E+02 0.177E+03   -.290E+00 -.445E+00 0.658E+00   0.477E-05 0.736E-04 0.123E-03
   -.523E+02 -.660E+02 -.237E+03   0.535E+02 0.675E+02 0.235E+03   -.131E+01 -.168E+01 0.119E+01   -.715E-04 0.771E-04 0.229E-03
   -.302E+02 -.157E+03 -.347E+03   0.298E+02 0.157E+03 0.349E+03   0.393E+00 -.695E+00 -.179E+01   -.189E-03 0.110E-03 0.309E-03
   -.115E+03 -.165E+03 -.161E+03   0.116E+03 0.165E+03 0.160E+03   -.935E+00 -.260E+00 0.194E+01   0.614E-05 0.104E-03 0.676E-04
   -.964E+02 -.284E+03 -.194E+03   0.968E+02 0.285E+03 0.194E+03   -.316E+00 -.789E+00 0.628E+00   -.354E-04 0.938E-04 0.962E-04
   -.492E+02 -.266E+03 -.301E+03   0.492E+02 0.267E+03 0.301E+03   -.798E-01 -.138E+01 -.305E+00   -.140E-03 0.795E-04 0.218E-03
   -.553E+02 -.198E+02 -.225E+03   0.613E+02 0.276E+02 0.220E+03   -.603E+01 -.771E+01 0.504E+01   0.784E-05 0.742E-04 0.290E-03
   -.763E+01 0.513E+02 0.220E+02   0.243E+01 -.599E+02 -.170E+02   0.507E+01 0.854E+01 -.484E+01   -.217E-04 0.792E-04 -.257E-03
   -.219E+03 -.270E+02 -.413E+02   0.219E+03 0.269E+02 0.429E+02   -.279E+00 -.145E+00 -.147E+01   0.542E-04 0.407E-04 -.520E-04
   -.149E+03 -.151E+03 0.136E+03   0.149E+03 0.152E+03 -.136E+03   0.554E-01 -.139E+01 -.326E+00   0.721E-04 -.395E-05 -.165E-04
   -.161E+03 -.155E+03 0.182E+03   0.161E+03 0.157E+03 -.183E+03   0.121E+00 -.167E+01 0.109E+01   0.106E-03 -.791E-05 0.164E-04
   -.318E+03 0.732E+01 -.164E+03   0.317E+03 -.910E+01 0.166E+03   0.220E+00 0.196E+01 -.277E+01   -.524E-05 0.558E-04 -.115E-03
   -.303E+03 -.683E+02 -.189E+03   0.303E+03 0.683E+02 0.190E+03   0.180E+00 -.239E-01 -.126E+01   0.170E-04 0.532E-04 -.897E-04
   -.227E+03 -.716E+02 -.306E+01   0.227E+03 0.714E+02 0.303E+01   0.329E+00 0.216E+00 -.723E-01   0.772E-04 0.215E-04 -.208E-04
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 -----------------------------------------------------------------------------------------------
   0.138E+02 -.149E+01 -.988E+01   0.631E-11 -.102E-11 -.352E-11   -.138E+02 0.150E+01 0.988E+01   0.501E-02 -.609E-02 0.698E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.03721      3.16457      1.36790         0.079856     -0.177812     -0.204735
     12.83664      3.58200      2.67778        -0.112303     -0.042749      0.155688
     12.80862      4.94058      3.02749        -0.000046      0.041006     -0.037031
     13.06424      4.08349      0.33188         0.078762      0.280261     -0.049862
     12.95895      5.43841      0.65941         0.042546     -0.025942      0.082454
     12.91880      5.91741      1.99575         0.000704      0.063465     -0.032991
     13.18736      1.68180      1.32568         0.121217      0.047408      0.010077
     12.64464      2.34476      3.50233         0.049704     -0.011399      0.195018
     13.03814      7.40363      2.23963        -0.108154      0.079777     -0.199282
     13.02810      8.00193      3.52523        -0.056503     -0.132512      0.016219
     13.29434      9.36779      3.65122        -0.020127     -0.025775      0.210232
     13.20787      8.28917      1.13588         0.035728      0.031421      0.080702
     13.42616      9.66880      1.27312        -0.010760     -0.274810     -0.146485
     13.50700     10.19427      2.55775        -0.071505      0.185964     -0.019222
     13.71663     11.59897      3.03021         0.012870     -0.143528      0.203783
     13.38427     10.19731      4.89079         0.094392      0.195006     -0.320991
     13.72430     12.67913      5.37374         0.037478      0.142691      0.135989
     13.43489     12.56842      6.74171         0.096741      0.039660      0.123896
     13.43708     13.68524      7.58676         0.109553      0.049244      0.147366
     14.07224     13.97200      4.95260        -0.000936     -0.054296      0.049641
     14.08676     15.08680      5.81295        -0.085931      0.023093      0.330424
     13.76577     15.00990      7.22076         0.188267     -0.017736     -0.028659
     13.85194     16.13577      8.28643         0.049702     -0.217289     -0.100566
     13.28932     16.10752      9.62056        -0.108125     -0.149205     -0.001739
     13.37290     17.22709     10.46044        -0.036758     -0.140582      0.011437
     14.51039     17.36548      8.00175        -0.055257     -0.152276      0.109573
     14.49487     18.49704      8.81890         0.040124     -0.066807      0.139023
     13.92559     18.43401     10.07609        -0.075007     -0.093045      0.094591
     12.48935     14.99564     10.29383        -0.061633      0.014622     -0.134657
     14.66123     16.30724      5.14096        -0.126750     -0.072350      0.151420
      9.73320      3.85666      4.77671        -0.012866     -0.241407      0.142475
      9.74175      4.79024      3.74911        -0.001846     -0.063499     -0.197454
      9.85485      6.16338      4.02397        -0.022050      0.050684      0.076846
      9.83386      4.24913      6.10321         0.036496      0.184940     -0.056393
      9.88192      5.61032      6.39143         0.129958      0.003016      0.022264
      9.91488      6.60262      5.37956         0.039641      0.084885     -0.093205
      9.48989      2.48393      4.24194         0.215906      0.858480     -0.219078
      9.61500      4.01992      2.45804        -0.005560      0.043016     -0.095150
     10.00332      8.05395      5.77173         0.004029     -0.006756     -0.051607
     10.11070      9.08842      4.80421         0.013541     -0.128095     -0.140515
     10.21371     10.41103      5.22516         0.094452     -0.020266     -0.122417
      9.95253      8.44902      7.13727         0.089950      0.073129     -0.107929
     10.03003      9.79099      7.54643        -0.100813     -0.198344     -0.029783
     10.18355     10.76762      6.56959         0.032772      0.098905      0.134438
     10.27742     12.25041      6.68666        -0.099440      0.121592      0.106108
     10.35280     11.65696      4.42300        -0.068905      0.058668     -0.329169
     10.78916     14.09339      4.96807        -0.029732      0.285402     -0.109131
     11.28904     14.41877      3.70200         0.010870      0.146453     -0.054119
     11.70101     15.72357      3.40344        -0.107965      0.123242     -0.079014
     10.67781     15.17408      5.85475        -0.061108      0.161722      0.084567
     11.02931     16.50642      5.53007        -0.019605      0.068583      0.005666
     11.58465     16.86416      4.22990        -0.072220      0.117238      0.000841
     12.02475     18.27193      3.70755        -0.051951      0.022150     -0.065369
     12.57332     18.69155      2.43040         0.023554     -0.213431     -0.121489
     12.87507     20.04387      2.15271        -0.069080     -0.182583     -0.176217
     11.90500     19.38204      4.56597         0.114322     -0.113004      0.173982
     12.17551     20.72161      4.29491         0.099208      0.020190     -0.026720
     12.62747     21.10620      3.02862        -0.047111     -0.331444      0.099416
     12.96965     17.80916      1.23458         0.130440      0.406798      0.267176
     10.79786     17.43578      6.73117        -0.065854     -0.097106     -0.210815
     10.35871      7.09111     14.64568         0.207665     -0.166176     -0.111393
     10.25141      7.50966     15.97069         0.056065     -0.047954      0.207177
     10.27665      8.87427     16.32325         0.127696      0.089711      0.123939
     10.38023      8.03641     13.62483         0.035978      0.295725     -0.017179
     10.32714      9.39784     13.96579         0.047770      0.090172      0.098419
     10.34127      9.87901     15.30585         0.109403      0.040979      0.044984
     10.44883      5.59359     14.60267         0.402398     -0.974525     -0.832688
     10.08259      6.25902     16.80538        -0.069229     -0.205656      0.859000
     10.44606     11.39093     15.56731        -0.024130      0.101378     -0.036860
     10.45343     11.99345     16.86232        -0.016271     -0.023724      0.085360
     10.60930     13.38900     17.00484         0.000996     -0.067020      0.154903
     10.55841     12.30552     14.47399        -0.026072     -0.001764      0.049140
     10.69676     13.69802     14.62250         0.020398     -0.241594     -0.105007
     10.74153     14.23109     15.90732         0.014465      0.102343     -0.093561
     10.87644     15.65768     16.35704         0.014579     -0.195850      0.145201
     10.63487     14.26526     18.23483         0.096527      0.017091     -0.149157
     10.69829     16.81394     18.65614         0.029099      0.158625      0.253758
     10.14297     16.75777     19.93977        -0.038511     -0.048304      0.010395
      9.94987     17.91410     20.71154         0.041993      0.025269     -0.111214
     11.11362     18.10894     18.27895         0.046385      0.040927     -0.005211
     10.99905     19.26585     19.09173        -0.037152     -0.050051      0.073687
     10.39333     19.22137     20.41726        -0.030066      0.154145      0.109211
     10.18226     20.36445      0.21898        -0.108371     -0.103374     -0.256857
      9.56797     20.30645      1.53847        -0.040068     -0.060314     -0.161230
      9.35877      0.19934      2.32449        -0.013919     -0.104914     -0.046719
     10.56371      0.43504     21.17362        -0.101004      0.002012      0.026364
     10.25889      1.59269      0.65333         0.007612     -0.092481     -0.255337
      9.66802      1.50525      1.91644         0.061677     -0.150422     -0.036345
      8.92781     19.10765      2.22936        -0.106817      0.092697     -0.008470
     11.62981     20.48096     18.39644        -0.042792     -0.275952      0.257591
      7.19025      7.64425     17.46155        -0.003788     -0.024601     -0.022944
      7.15845      8.58920     16.43643        -0.009674      0.103044     -0.118913
      7.17644      9.97197     16.70790        -0.035878     -0.057736      0.037904
      7.29846      8.04107     18.78821         0.009886      0.153022      0.004129
      7.31107      9.41031     19.07079         0.155555      0.064322     -0.144883
      7.24824     10.41378     18.06126        -0.033953     -0.003029      0.053306
      6.90176      6.28909     16.90302         0.054418      0.161092      0.053730
      7.02880      7.82953     15.14107        -0.083753      0.078273     -0.174522
      7.22919     11.87356     18.47099         0.057384      0.053096     -0.100440
      7.27981     12.95702     17.54068         0.011714     -0.089825      0.001307
      7.25255     14.27636     18.01617         0.055766     -0.015098     -0.193317
      7.20142     12.22007     19.84929         0.148664      0.118818     -0.087599
      7.23141     13.54639     20.30840        -0.065604     -0.330771     -0.024746
      7.21077     14.57266     19.37574         0.030278      0.067536      0.126714
      7.18341     16.04952     19.57493        -0.044570      0.240997      0.319092
      7.34617     15.57919     17.28399        -0.088328      0.121922     -0.329465
      7.55729     18.02339     18.00707        -0.006366      0.333522     -0.146897
      8.27828     18.41024     16.87660         0.095080      0.205498     -0.133736
      8.61331     19.75133     16.66772         0.059233     -0.000437     -0.139742
      7.16696     19.07983     18.85489         0.005678      0.229300     -0.119634
      7.42829     20.45493     18.57643         0.008319      0.049034      0.029820
      8.21042     20.87391     17.41357         0.059938     -0.028314     -0.080293
      8.71122      1.01697     16.91140         0.103925     -0.015618      0.204369
      9.34634      1.39331     15.65463        -0.085900     -0.427469     -0.182753
      9.76170      2.70817     15.36454         0.101443     -0.079283      0.213241
      8.64386      2.12892     17.77266         0.182349      0.155813      0.078926
      9.14287      3.42157     17.51804        -0.105778     -0.076076      0.264843
      9.69011      3.76967     16.27296        -0.047660     -0.027261      0.207561
      9.77483      0.51518     14.45984        -0.073065     -0.207333     -0.169001
      6.78902      0.10813     19.63588         0.077333     -0.081901     -0.262467
      6.94775     10.87326      6.12223        -0.021309     -0.236324     -0.095105
      6.81481     11.31326      7.43152        -0.037141     -0.055907      0.215963
      6.88009     12.67681      7.76590         0.056577      0.137722      0.005052
      7.21747     11.77459      5.10163        -0.014362      0.256204     -0.060920
      7.30932     13.13543      5.42230        -0.045088     -0.059791      0.114014
      7.11200     13.64128      6.73825         0.039353      0.016200      0.083156
      6.92980      9.37811      6.07742        -0.034028      0.250338      0.458475
      6.73894     10.08184      8.29495         0.023138     -0.041877     -0.035082
      7.21319     15.13774      6.98032         0.020038      0.065446     -0.000914
      7.08247     15.77009      8.25132         0.058307     -0.077957      0.014807
      7.22220     17.17036      8.35115         0.041382     -0.052286      0.192482
      7.50382     15.99590      5.87994        -0.080352      0.046574      0.124305
      7.54854     17.39169      5.98128        -0.034470     -0.233040     -0.167282
      7.40205     17.97906      7.23631        -0.003988      0.057431     -0.016214
      7.60671     19.40891      7.65330        -0.189840     -0.426786      0.454941
      7.37363     18.04860      9.56346        -0.048955      0.225070     -0.349754
      7.62530     20.58133      9.96479         0.002146      0.040910      0.113693
      7.16641     20.56157     11.28915        -0.007080      0.177384      0.131385
      7.09555      0.47266     12.06162         0.028796      0.000179     -0.031714
      8.11002      0.57947      9.56161         0.169268      0.237922      0.081822
      8.16927      1.72560     10.40570         0.040450     -0.039487      0.132853
      7.60265      1.75287     11.74175         0.056433      0.086855      0.062328
      7.47515      2.93213     12.78784         0.144122     -0.213306     -0.360197
      6.89425      2.85806     14.11243        -0.185294     -0.044715      0.097459
      6.71383      4.01158     14.90660        -0.032743      0.013435      0.344519
      7.91543      4.26051     12.50837         0.190415     -0.006186     -0.065076
      7.71596      5.41113     13.30359        -0.051530     -0.227742     -0.238938
      7.10422      5.32074     14.55692         0.027178     -0.526963     -0.104838
      6.27124      1.63766     14.82393        -0.446693      0.274413      0.491690
      9.01485      2.82903      9.79498         0.067546      0.010743      0.186804
      4.16286     11.49009     10.69244         0.050090     -0.031230     -0.103701
      3.90204     12.35713      9.63876         0.029941      0.118145     -0.254399
      3.93442     13.74425      9.78757         0.088912      0.143535     -0.078656
      4.49376     12.00811     11.93723         0.142276      0.153113      0.051244
      4.52983     13.40240     12.10708         0.022582      0.046659     -0.150475
      4.25847     14.31572     11.04395         0.099018     -0.010590      0.027306
      3.86028     10.09035     10.27002         0.032855      0.102739     -0.084627
      3.47300     11.54881      8.46176         0.115943     -0.212493      0.143741
      4.30920     15.81466     11.25540         0.151783     -0.065679     -0.095836
      4.04336     16.77140     10.22490         0.087703     -0.251059     -0.120676
      4.12717     18.14048     10.51097         0.014213      0.045671     -0.047890
      4.72078     16.31670     12.51733         0.021965      0.072476     -0.200905
      4.79316     17.68536     12.78929        -0.017599     -0.208927      0.080537
      4.43181     18.58334     11.79220        -0.001100      0.148500      0.005507
      4.31372     20.06363     11.82735        -0.049525     -0.181656     -0.088213
      4.07096     19.36356      9.63275        -0.215753     -0.002381     -0.861438
      4.35641      0.64697     10.09041         0.207294      0.146540     -0.128560
      4.78261      0.97445      8.80253         0.091346      0.259871     -0.087442
      5.23823      2.26596      8.51080         0.058652     -0.003541      0.063774
      4.26204      1.76076     10.94972         0.001189     -0.088040      0.118802
      4.73485      3.07871     10.65550        -0.062380     -0.219285      0.015111
      5.34910      3.39017      9.37428         0.044913      0.035881      0.074735
      5.96077      4.75289      8.83164         0.120970      0.156977      0.126112
      6.46629      5.05808      7.51275         0.070995     -0.195773      0.098464
      6.79986      6.37785      7.09281        -0.007546     -0.055128     -0.018837
      5.94057      5.93503      9.60630         0.057123     -0.274913      0.125615
      6.23677      7.23954      9.19674        -0.095332      0.004762      0.149049
      6.62765      7.53501      7.88677        -0.106390     -0.224936     -0.017156
      6.60150      4.00658      6.41691         0.313479      0.188654      0.004021
      4.35679      3.96753     11.85667        -0.071572      0.199997     -0.247493
      0.97612     14.23062      0.86736         0.031890     -0.201535      0.219791
      1.59165     14.66937      2.03889         0.054010     -0.110287      0.202719
      1.60981     16.04891      2.36065         0.091579      0.044963      0.238428
      0.54963     15.13044     21.16434        -0.227489      0.158312     -0.073419
      0.63082     16.48862      0.19061        -0.022063     -0.014077      0.211440
      1.06952     17.00322      1.44062         0.026444      0.091531     -0.184452
      0.89530     12.74877      0.84808         0.043200      0.104178      0.130682
      2.20734     13.41555      2.68571        -0.485305     -0.088866     -0.616028
      0.96587     18.51807      1.63234        -0.015617     -0.023621      0.048308
      1.32994     19.24067      2.80785        -0.121333     -0.127980     -0.100309
      1.16249     20.63865      2.82601         0.229371     -0.076401      0.256968
      0.47632     19.30350      0.54438        -0.056200      0.014854      0.009806
      0.28396     20.68784      0.58745         0.131556     -0.338896      0.133333
      0.61741      0.08735      1.76149        -0.020987      0.223462     -0.150788
      0.57048      1.55218      2.06394         0.188447     -0.512554      0.248707
      1.60860      0.39123      3.84342        -0.157751      0.033627     -0.390246
      1.37589      2.93465      4.05922         0.117020     -0.037194      0.154796
      1.96077      2.96118      5.32540        -0.046894      0.132334     -0.080224
      2.09188      4.15864      6.01933         0.002501      0.076321      0.079800
      0.90733      4.18216      3.62034        -0.050097      0.162984      0.048211
      1.01524      5.38680      4.34933         0.202249      0.124943      0.292071
      1.71284      5.46596      5.61838        -0.111368      0.104275     -0.132620
      2.06856      6.71352      6.48778         0.015632      0.070968     -0.349686
      2.54825      6.68163      7.82855        -0.024906     -0.392157      0.075232
      3.01410      7.78687      8.55197        -0.068004     -0.053744      0.190185
      2.05067      8.06796      6.03438        -0.085593     -0.113395     -0.136572
      2.52131      9.19179      6.74952        -0.112661     -0.135170     -0.408739
      3.04753      9.08061      8.04837        -0.032280     -0.049687     -0.039841
      2.81879      5.42490      8.59768         0.076913      0.232093     -0.026640
      0.26831      6.52946      3.67809        -0.060219     -0.168528      0.063291
      4.67645     14.08568      0.69569        -0.028954     -0.069053     -0.057218
      4.06538     14.98684     -0.17360        -0.122081      0.129612     -0.195859
      4.07574     16.38745      0.08686        -0.039071     -0.093179     -0.066662
      5.35079     14.55689      1.81689         0.027685      0.161828      0.071947
      5.36102     15.93112      2.07970        -0.207800     -0.097959     -0.104290
      4.70460     16.90007      1.26901        -0.003520      0.073500      0.126398
      4.51998     12.67636      0.20534        -0.007975     -0.072460     -0.030693
      3.49339     14.14343     19.94685        -0.072431     -0.130006     -0.085777
      4.74653     18.37255      1.74471        -0.003611     -0.079490      0.052392
      4.14191     19.49076      1.09707        -0.003157      0.102966     -0.055581
      4.31681     20.80008      1.61376        -0.073748      0.065353     -0.231133
      5.46579     18.68078      2.93983        -0.133449      0.096615     -0.112367
      5.64897     19.97609      3.44457        -0.042044     -0.165772     -0.073540
      5.07370     21.04056      2.75562         0.019732      0.124715      0.018235
      5.16503      1.25661      3.02812        -0.510579     -0.283248     -0.559306
      3.84316      0.89137      1.10716         0.065427      0.140028      0.218978
      4.01301      3.35292      2.00878        -0.135023      0.307671     -0.355538
      3.08764      3.94272      1.11274         0.055621      0.143656     -0.203696
      2.82586      5.33882      1.07779         0.087301     -0.158352     -0.123481
      4.53635      4.29800      2.92056         0.035831      0.002971     -0.148341
      4.26237      5.69225      2.85628        -0.310814      0.043298     -0.129996
      3.44320      6.35176      1.86999         0.073456      0.228629      0.130183
      3.14601      7.94828      1.75981         0.012882      0.099377     -0.050064
      2.11936      8.54991      0.94615        -0.249397     -0.023801      0.044544
      1.71636      9.90636      1.03463        -0.106162     -0.278531     -0.269943
      3.76883      9.00893      2.52681        -0.162827      0.075441     -0.284989
      3.31461     10.35269      2.67079         0.058389     -0.347317     -0.272183
      2.23375     10.85567      1.91763         0.299872      0.161891      0.121194
      1.18593      7.80047      0.00999        -0.650162     -0.064273      0.475229
      4.90384      6.46812      3.95629         0.024923     -0.019421      0.216031
     18.09844     17.33766     13.62120        -0.125324     -0.063921     -0.098228
     19.11856     17.81051     14.43894         0.113982     -0.010490      0.109521
     19.39355     19.17734     14.56435        -0.045078      0.091317      0.078191
     17.36230     18.22634     12.83776        -0.120087      0.203145      0.144089
     17.63024     19.60091     12.95080         0.061346     -0.047880      0.136946
     18.60973     20.12383     13.84408        -0.036581      0.070523      0.040529
     18.02637     15.84630     13.72680        -0.184414     -0.076262      0.009967
     19.78969     16.62056     15.06095        -0.062788      0.033254      0.044471
     18.73379      0.35974     14.06732         0.013754      0.118353      0.035236
     19.71514      0.94201     14.92823        -0.108133     -0.132292      0.050666
     19.65422      2.31378     15.21523         0.108244     -0.012203      0.158284
     17.79337      1.25649     13.48059         0.019243      0.001022      0.079177
     17.78740      2.64003     13.73365        -0.186958     -0.253187     -0.201908
     18.72135      3.15777     14.62255        -0.079059      0.140657     -0.116312
     18.94067      4.56821     15.08215         0.015789     -0.147914     -0.012372
     20.44077      3.14216     16.18843         0.126159      0.059699      0.160274
     20.63348      5.66749     16.63796         0.098035      0.343779      0.310235
      0.68578      5.63193     17.12439        -0.164682      0.040706      0.172771
      1.30591      6.78558     17.60413         0.405910      0.242871      0.124837
     19.99162      6.91050     16.81680        -0.090603     -0.207994      0.096138
     20.59198      8.04664     17.42165        -0.175279     -0.009404     -0.007271
      0.72719      8.06026     17.81329         0.111569      0.066153      0.037982
      1.60101      9.21005     18.43772         0.390648      0.050317     -0.087315
      2.96070      9.15006     18.96321        -0.380913     -0.472241     -0.149321
      3.62054     10.27417     19.53130         0.070455     -0.060421     -0.057785
      1.10085     10.52296     18.58857        -0.176789      0.156131      0.001915
      1.76459     11.63638     19.13341        -0.044090      0.225548     -0.126212
      3.06977     11.55503     19.63456        -0.373273      0.370265      0.050599
      4.02992      8.02642     18.86282         0.154747      0.605295      0.392868
     19.54743      9.13700     17.68281         0.032233      0.037524      0.197257
      1.96525     18.19515     14.10838        -0.026388     -0.156925      0.206447
      1.23789     19.13182     13.38587        -0.102673      0.006598     -0.150599
      1.33372     20.50175     13.65606        -0.139056      0.010671     -0.013007
      2.85926     18.61786     15.08691         0.074779      0.297841      0.139304
      2.97555     19.99261     15.34966         0.013629      0.090561     -0.026121
      2.19659     20.97838     14.67701        -0.104372     -0.056577      0.238793
      1.64046     16.82024     13.62869         0.313432     -0.043683      0.079422
      0.46263     18.37875     12.34110         0.133262      0.001219      0.143740
      2.33069      1.18925     15.00849        -0.254226      0.117955     -0.040146
      1.70230      2.20340     14.22357         0.004541     -0.217900     -0.066787
      1.95819      3.54622     14.50154        -0.005863      0.271444     -0.104552
      3.12183      1.63808     16.10046        -0.132530      0.039643     -0.011350
      3.45939      2.99241     16.29743        -0.003997     -0.351039      0.051202
      2.89581      3.94099     15.45394         0.219964      0.209166      0.093033
      3.14356      5.42225     15.30101        -0.841403     -0.809032     -0.419105
      1.40280      4.78627     13.88452        -0.908235      0.026256     -0.808204
      1.63228      7.27680     14.42143        -0.158115      0.284793     -0.101744
      0.33831      7.55814     13.98503        -0.064613      0.152557     -0.069813
     21.04069      8.83293     14.11243        -0.021201      0.047315     -0.133832
      2.34848      8.39998     14.88819         0.148244      0.139522     -0.017219
      1.80268      9.71406     14.98334        -0.180162     -0.081068     -0.069448
      0.42155     10.00643     14.57714        -0.113601      0.120299      0.047984
     20.87631     11.36498     14.56268         0.150941     -0.027452     -0.031073
     19.50581     11.66947     14.14611         0.058868     -0.081553      0.059326
     18.97766     12.98373     14.20100        -0.055270     -0.226145     -0.142889
      0.28129     12.55167     14.94259        -0.023740     -0.051348      0.185872
     -0.25598     13.84107     15.04481        -0.054285      0.065803      0.096255
     19.69073     14.11232     14.63939        -0.031910     -0.405960      0.004418
     18.45156     10.68683     13.61169         0.141467      0.281816      0.287993
      2.88350     10.69642     15.46802        -0.079179     -0.066972     -0.197464
     16.12215      0.41712      5.23747         0.054256     -0.071575     -0.182734
     16.87067      0.84797      6.32633         0.139416     -0.071086      0.203291
     16.93659      2.20659      6.69321        -0.009400      0.045818     -0.018757
     15.38070      1.32238      4.50405         0.071969      0.244551     -0.042122
     15.44222      2.67537      4.84903         0.070589     -0.065169      0.019453
     16.22146      3.17317      5.91752         0.051096      0.043178      0.073144
     16.38556     20.23933      4.93753         0.143433      0.053533      0.069205
     17.56916     20.88707      6.86377         0.116294      0.001231      0.003662
     16.25504      4.67551      6.14248        -0.087972     -0.000957      0.071978
     17.03760      5.30381      7.14581        -0.124529     -0.113548      0.139660
     16.96025      6.69587      7.32559         0.021716     -0.026279      0.259818
     15.44871      5.53953      5.34452         0.095139     -0.021020      0.125384
     15.44096      6.93346      5.48840         0.013045     -0.250861     -0.095659
     16.21723      7.51249      6.48356        -0.032008      0.167677     -0.007019
     16.43162      8.95641      6.84109         0.240491     -0.480713      0.263645
     17.52852      7.57194      8.40329        -0.200861      0.105602     -0.336764
     17.74912     10.11119      8.71812        -0.002313      0.039852      0.034377
     18.81481     10.01372      9.61251        -0.115562     -0.033227      0.109233
     19.39351     11.14985     10.17203        -0.051306      0.122354      0.146518
     17.29049     11.42315      8.49979        -0.037877      0.185095      0.026333
     17.82882     12.56586      9.14271         0.093264      0.171557      0.187852
     18.96338     12.47968     10.04438        -0.031563      0.068181      0.045063
     19.74552     13.57618     10.81955        -0.002182     -0.012204     -0.135094
     21.03535     13.45961     11.48595        -0.190452      0.058490     -0.131053
      0.42423     14.58808     12.02114         0.005017      0.007629     -0.065415
     19.24669     14.90215     10.89473         0.066279      0.013215      0.010474
     19.93704     16.03229     11.37586        -0.110920      0.015107     -0.115457
     21.19291     15.89608     11.97880        -0.110578     -0.215455     -0.042710
      0.75993     12.28666     11.57169         0.182904      0.122190      0.147344
     17.03935     13.83156      8.81240         0.264650     -0.250261     -0.015971
     20.38973      1.34618      6.11636         0.002705     -0.004026      0.071636
     19.81489      2.39432      5.39368        -0.176321      0.076910     -0.037894
     19.80575      3.69950      5.85052        -0.039152      0.206405      0.154001
     20.91244      1.59263      7.37924        -0.114963      0.193566      0.108401
     20.83954      2.90003      7.88612        -0.095996      0.026897      0.073962
     20.31705      3.99355      7.14176        -0.033893      0.201014      0.147111
     20.24069      0.08444      5.32791        -0.124511      0.252247      0.138035
     19.16282      1.83995      4.16740         0.324423     -0.161864      0.467945
     20.36847      5.41980      7.64378        -0.122990      0.007348     -0.039837
     19.98513      6.47713      6.78409        -0.183616     -0.292127     -0.051410
     20.26783      7.79957      7.11250        -0.111777      0.045070     -0.051243
     -0.39828      5.79489      8.92035        -0.043320      0.114459     -0.028701
     -0.02502      7.12305      9.20912        -0.067137     -0.229628     -0.002704
     20.96182      8.11650      8.26824         0.028757      0.127187      0.074571
      0.02903      9.57722      8.23455        -1.127912     -1.123360     -1.112605
     19.98180      9.06345      6.36631         0.168425     -0.169256      0.364188
     20.43109     11.52888      6.79341        -0.147315     -0.046539     -0.114647
     19.52533     11.93661      5.80895        -0.087627      0.262714     -0.065157
     19.21823     13.28518      5.62080        -0.049850      0.178514     -0.082685
     21.05145     12.58340      7.48477         0.038298      0.207118      0.039816
     20.78898     13.95365      7.24111         0.035786      0.073687     -0.077082
     19.79873     14.39838      6.27852         0.086659      0.009534      0.039554
     19.29902     15.83490      5.98719         0.001891     -0.072872     -0.037197
     18.48072     16.29476      4.88646         0.029792     -0.179504      0.003498
     17.95505     17.60817      4.84658        -0.021266     -0.081744     -0.163083
     19.54446     16.88939      6.90535         0.029767     -0.050038      0.024214
     18.93581     18.14676      6.91898         0.054422     -0.030368      0.029111
     18.06401     18.54039      5.89637         0.177085     -0.188014     -0.087823
     17.92180     15.41459      3.75896         0.106644      0.059190     -0.021857
      0.49409     14.85780      8.00455        -0.118158     -0.028943     -0.214299
     12.68960      5.22455      4.08169        -0.002906     -0.052038     -0.249781
     13.15431      3.77048     20.55066         0.004058     -0.042337     -0.022957
     12.90874      6.15391     21.09717         0.103798     -0.149436      0.009373
     12.80490      7.42199      4.42708         0.045925      0.044279     -0.136351
     13.16798      7.88559      0.12052         0.069265      0.177259      0.145493
     13.53120     10.29506      0.38496         0.037689      0.034285      0.065868
     13.23871     13.47312      8.63004         0.039964     -0.119367     -0.102963
     13.27667     11.58384      7.16749        -0.189265     -0.003078      0.130682
     14.37919     14.12589      3.92670        -0.091150     -0.021700     -0.097951
     12.93731     17.15570     11.44677        -0.078500      0.006299      0.196168
     15.03717     17.51102      7.07817         0.010452     -0.143277      0.018640
     14.89783     19.45025      8.47787         0.259178     -0.086968     -0.221440
      9.89958      6.88918      3.20511        -0.117349     -0.175495      0.050014
      9.78067      3.52458      6.90306         0.126557     -0.067578     -0.018441
      9.84009      5.89828      7.44814         0.200435     -0.067605     -0.236858
     10.10635      8.85914      3.73072         0.005828      0.114524      0.241592
      9.81591      7.69466      7.91823         0.062443      0.142611     -0.129977
      9.91512     10.05356      8.60188         0.148724      0.000341     -0.064036
     12.15862     15.83958      2.43251        -0.076117     -0.099792      0.013489
     11.36658     13.65048      2.93985         0.186393      0.047372     -0.097799
     10.29462     14.97899      6.85217         0.090349     -0.007608     -0.055855
     13.30231     20.27185      1.18321        -0.041285      0.024394     -0.004217
     11.59271     19.20561      5.57354        -0.010068      0.135746      0.147921
     12.06380      0.19508      5.08463        -0.205885      0.017537      0.097232
     10.23304      9.15059     17.38712         0.016770     -0.087234     -0.248513
     10.40752      7.75081     12.57130         0.030699     -0.078605      0.057895
     10.26624     10.11972     13.14556         0.106195     -0.187977      0.081204
     10.29333     11.38833     17.76018         0.149100      0.041422     -0.043004
     10.52719     11.93417     13.44626         0.056618      0.027336      0.132324
     10.76728     14.34588     13.74382         0.020161     -0.087854      0.044597
      9.41836     17.74919      0.37373         0.031884     -0.146218     -0.018658
      9.88588     15.78977     20.36784        -0.196214      0.116418      0.022553
     11.54202     18.26367     17.29746         0.035582     -0.174389     -0.100972
      8.93821      0.05739      3.31113        -0.036257      0.114229      0.007582
     11.16106      0.60963     20.29224        -0.151328      0.099882     -0.053351
     10.46363      2.56869      0.21795         0.212597     -0.021709     -0.010008
      7.10385     10.70808     15.89506         0.006861     -0.302613      0.096089
      7.26208      7.31264     19.59795         0.146072     -0.028962     -0.035706
      7.30511      9.70037     20.12607         0.149269     -0.089111     -0.197250
      7.38066     12.77193     16.46249        -0.121864      0.083188      0.226280
      7.14171     11.44159     20.61499         0.093001      0.163638     -0.154565
      7.24426     13.75022      0.12082         0.051311      0.013227     -0.097849
      9.27866     19.92323     15.83916         0.049527     -0.154837     -0.057034
      8.61753     17.67412     16.15068         0.093769      0.070884      0.045352
      6.65099     18.84239     19.78348         0.011548     -0.001541     -0.170458
     10.14342      2.86453     14.36656         0.187253      0.317433      0.023254
      8.20585      1.98150     18.75313         0.064424      0.139031      0.046752
      9.10124      4.15564     18.31876        -0.161610      0.004305     -0.007649
      6.79993     12.99558      8.81355        -0.009337     -0.156362     -0.213513
      7.42605     11.43777      4.08460        -0.119283     -0.041166     -0.013721
      7.62021     13.81359      4.62026        -0.245873     -0.169928      0.117511
      6.92165     15.17196      9.15942         0.060949      0.196627     -0.168632
      7.79104     15.55572      4.91736        -0.289751      0.217865      0.163150
      7.80637     17.97960      5.09763        -0.071765      0.021661      0.174940
      6.59479      0.33320     13.00404         0.049352     -0.106429     -0.176917
      6.83573     19.63234     11.74670         0.007901      0.009782     -0.022855
      8.48695      0.70253      8.55306         0.036803     -0.143931     -0.057691
      6.26128      3.88020     15.88503         0.072197      0.059646     -0.105812
      8.52499      4.44514     11.62661        -0.333674     -0.043306      0.039053
      8.00537      6.39214     12.92708         0.203122     -0.132628     -0.114911
      3.62965     14.37657      8.95014         0.232248     -0.120670      0.032623
      4.64493     11.34803     12.78905         0.156743      0.031383     -0.144506
      4.71213     13.77506     13.12306         0.032059     -0.093049     -0.274427
      3.81366     16.44811      9.20178        -0.017866      0.080434      0.188098
      4.99222     15.62155     13.31678         0.001645      0.176678     -0.137345
      5.13803     18.01823     13.76722        -0.019621      0.100811     -0.012792
      5.53033      2.36358      7.48534         0.059625     -0.106428      0.048745
      4.77252      0.22072      8.01803         0.117029      0.058637     -0.087413
      3.82073      1.60311     11.92918         0.106265     -0.047226     -0.032246
      7.17714      6.47810      6.08468        -0.065746      0.105794     -0.102018
      5.57174      5.86343     10.61055         0.149876      0.131492      0.098051
      6.10899      8.04690      9.91063        -0.038654     -0.083949      0.155598
      2.05604     16.39612      3.30521        -0.124432     -0.191740     -0.195508
      0.18049     14.81098     20.19083        -0.103163     -0.134689      0.019355
      0.32802     17.17088     20.65900        -0.072964     -0.149620      0.021682
      1.73507     18.72881      3.69040        -0.054321      0.144599     -0.149971
      0.23345     18.82967     20.85227        -0.013148      0.082610      0.122625
     -0.05799     -0.03043     20.96896        -0.133470      0.088954     -0.092913
      2.51284      3.98085      6.98352         0.041920      0.008583     -0.236271
      2.29464      2.04311      5.79805         0.077014      0.065209      0.048794
      0.39217      4.24098      2.68270        -0.245024     -0.112162     -0.400176
      3.31237      7.62810      9.58007         0.078186      0.145962     -0.104384
      1.65541      8.28245      5.04242         0.143197      0.036901      0.073087
      2.43715     10.17467      6.29693         0.024149      0.007773     -0.199318
      3.59487     17.07745     20.63828         0.070502     -0.212918      0.110541
      5.85935     13.86675      2.49033        -0.017327     -0.035639      0.043681
      5.89563     16.25366      2.97265        -0.064653     -0.134469     -0.070565
      3.53878     19.35158      0.19341         0.128839      0.070351      0.052020
      5.97851     17.88182      3.47615        -0.137925      0.170624      0.029525
      6.28604     20.13588      4.31953        -0.186429      0.046428     -0.005696
      2.01801      5.59411      0.40990         0.206286     -0.046481     -0.238346
      2.52891      3.31616      0.41101         0.090055      0.156146      0.101276
      5.15960      3.92914      3.72802         0.078988      0.130786      0.012399
      0.94805     10.21602      0.34134        -0.092094      0.075912      0.149782
      4.68221      8.83386      3.07918         0.024483     -0.074675     -0.119146
      3.85695     11.02134      3.33408         0.175996     -0.069347      0.087841
     20.21693     19.50151     15.21028        -0.220414     -0.067495      0.022555
     16.57476     17.87421     12.16635         0.061665     -0.018947      0.010004
     17.04018     20.28558     12.32820         0.145680     -0.197815      0.142941
     20.52352      0.33448     15.36278        -0.339248      0.173308      0.041808
     17.01271      0.86821     12.81325         0.205068      0.102415      0.180146
     17.04094      3.28142     13.25284         0.113134     -0.042693      0.071349
      2.35592      6.65363     17.85590        -0.554799     -0.010606     -0.150127
      1.23069      4.69527     17.16776         0.094030     -0.044905     -0.085166
     18.95043      6.99888     16.52068         0.067785     -0.027858     -0.047821
      4.61232     10.08070     19.90820         0.185009      0.260665      0.119067
      0.09063     10.71903     18.26475        -0.074611      0.131668     -0.034328
      1.24968     12.60044     19.16615        -0.083770     -0.268596     -0.132752
      0.72963     21.19645     13.07608        -0.056264      0.033296     -0.114862
      3.50186     17.90066     15.60032        -0.097754     -0.002525      0.108221
      3.75154     20.31861     16.05396        -0.247482     -0.120880     -0.059658
      1.04581      1.95166     13.37847         0.138685      0.087947      0.229094
      3.56817      0.91105     16.79036        -0.120838      0.155511     -0.171714
      4.19334      3.24853     17.06809        -0.233585      0.092271     -0.037625
     20.00982      8.87922     13.79635         0.008116      0.044113      0.018433
     21.03842      6.75155     13.52337        -0.386002      0.089919      0.077618
      3.39242      8.26885     15.17769        -0.272810     -0.049627      0.014397
     17.96819     13.13241     13.82627         0.061293     -0.003768      0.100596
      1.33560     12.49508     15.15172         0.024238      0.097463      0.171323
      0.36175     14.64431     15.43030         0.230247     -0.030658     -0.075889
     17.58623      2.52265      7.52140        -0.223902     -0.168305     -0.108318
     14.79482      0.98885      3.65464         0.130799     -0.034753     -0.042993
     14.87146      3.37681      4.23983         0.172552     -0.160567      0.048934
     17.72230      4.70422      7.75659        -0.269402      0.193373      0.111086
     14.79243      5.11542      4.57941         0.200676      0.141134      0.134121
     14.80668      7.54145      4.84709         0.198471     -0.003656     -0.000615
     20.25039     10.96451     10.78916        -0.107880     -0.178295      0.024082
     19.19362      9.03820      9.89494         0.082978     -0.018930      0.057296
     16.49366     11.58765      7.78447        -0.093259     -0.063707      0.021279
      1.39080     14.42257     12.46734         0.055457      0.161358      0.123075
     18.23612     15.08381     10.54606         0.120927      0.101721     -0.002459
     19.52248     17.02988     11.21851        -0.181607     -0.176478      0.119741
     19.39625      4.46918      5.19172        -0.054175     -0.083745      0.128510
      0.08258      0.78526      7.97050         0.035736     -0.026595      0.074316
     -0.03177      3.06823      8.89249        -0.042199      0.025716     -0.074861
     19.50564      6.24943      5.83219        -0.006750      0.130253      0.302263
     -0.24351      5.03603      9.69342         0.039588      0.165585     -0.127092
      0.52855      7.33584     10.12695        -0.249228      0.083574      0.072596
     18.42401     13.45600      4.91286         0.038802     -0.086112      0.003793
     19.02994     11.19447      5.19642        -0.179908      0.019673     -0.070949
      0.52298     12.35256      8.24520         0.060206     -0.105967     -0.018661
     17.32050     17.84655      4.00272        -0.006055      0.116134     -0.066238
     20.24488     16.73260      7.70881        -0.155040     -0.028417      0.108674
     19.15100     18.83441      7.72971         0.113496     -0.047201      0.123352
     13.87172     19.27484     10.76597         0.094102      0.166001     -0.074920
     19.13334     21.05943      3.51461         0.122726      0.120738      0.089021
     12.80372      1.21329      2.63421         0.130161      0.135111     -0.051804
     13.64947     11.55492      4.47364        -0.066035     -0.116720      0.169982
      9.51810      2.61942      2.80905         0.111855     -0.011073     -0.195950
     10.48009     12.74484      5.34344        -0.020999      0.009834      0.078476
     10.05546      5.12537     15.91552         0.277306      0.321191     -0.213823
     10.76803     15.64228     17.79447         0.000422      0.079994     -0.048704
      7.01511      6.41610     15.47610        -0.070389      0.163741     -0.070954
      7.31146     16.63389     18.27436        -0.012210     -0.154488      0.098073
      6.74826      8.91629      7.42970         0.052672      0.025061     -0.011203
      7.56835     19.41720      9.10292        -0.083550     -0.144698     -0.085474
      3.50918     10.16139      8.86560        -0.133095      0.218518     -0.249741
      4.15049     20.52939     10.48510        -0.057369     -0.076526      0.210701
      1.76998     12.25690      1.87557         0.218063     -0.219665     -0.027205
      1.20341      1.70212      3.34442        -0.001197      0.114135      0.073115
      3.70449     12.71928     20.29109        -0.137306      0.184499      0.048914
      4.33158      1.92119      2.03937        -0.086368     -0.038333      0.040315
     19.14757     15.44274     14.54651         0.048700      0.090132     -0.037016
     20.02307      4.52237     16.01496         0.007052     -0.157883      0.078111
      0.66304     16.97114     12.59849        -0.240078      0.112361     -0.106609
      2.08321      5.91307     14.45651         0.188110      0.035932      0.049082
     17.37359     19.80709      5.89881        -0.093726      0.057812      0.001393
     17.21776      8.94690      8.04988         0.021463      0.060835     -0.091659
     19.46932      0.46731      4.21316        -0.126002     -0.219776     -0.406197
     20.63510     10.13080      7.06917        -0.056588      0.166141      0.135045
     12.42505      2.28218      4.70590        -0.050035      0.145175     -0.179494
     13.63512      1.01758      0.40170        -0.230955      0.096146      0.305897
     13.24431      9.80364      6.03376        -0.076701     -0.098500      0.205532
     13.88727     12.59192      2.34424         0.029639     -0.010659      0.077045
      9.59549      4.45289      1.31495         0.027230     -0.057209      0.151444
      9.29508      1.46742      4.86759         0.033962     -0.451817      0.256860
     10.32043     11.75739      3.19862         0.039186     -0.060324      0.267089
     10.14627     12.93010      7.69788         0.143141     -0.251935     -0.462363
      9.97323      6.17211     18.03033         0.154378      0.265701     -0.745583
     10.85770      4.88157     13.66849        -0.670377      1.052851      1.259777
     10.56846     13.90799     19.39588        -0.013678     -0.097730      0.213697
     11.04552     16.64346     15.65767        -0.050883     -0.029552      0.111123
      6.91820      8.28585     14.01193         0.148633     -0.209590      0.223702
      6.56188      5.29449     17.52524         0.307254      0.072891     -0.127386
      7.43957     15.74984     16.07383        -0.090192     -0.051532      0.299503
      7.05751     16.66312     20.63495         0.146582     -0.321229     -0.714874
      6.73168     10.05229      9.51460         0.067384      0.033082      0.108676
      7.10469      8.68770      5.09215        -0.026840     -0.192639      0.014835
      7.37833     17.69648     10.72533         0.052439     -0.086676      0.393642
      7.78460     20.36812      6.93020        -0.079334      0.277063     -0.013482
      3.13728     11.94765      7.36009         0.045489      0.062471     -0.148571
      3.86011      9.08626     10.96641         0.033446      0.161153     -0.117446
      4.02116     19.38388      8.40612        -0.047651      0.041636      0.538497
      4.29925     20.76197     12.82296         0.091006      0.097877     -0.007600
      2.95903     13.34617      3.62952         0.180841     -0.077733      0.383758
      0.16938     12.09977      0.10904         0.040156     -0.017129      0.147047
      2.23441      0.18662      4.86401         0.142864     -0.088409      0.140517
      0.09073      2.43650      1.37901         0.008083      0.121919     -0.011928
      2.99028     14.52388     18.90405         0.000353     -0.073216      0.230297
      5.02718     11.67379      0.70169        -0.213560      0.196024     -0.184326
      3.17213      1.12002      0.11709         0.009572      0.025887     -0.018757
      5.82197      1.79202      3.89480         0.191211      0.260144      0.160673
     -0.54669     16.62929     15.86246         0.035891      0.029075      0.029947
     17.17239     15.11274     13.24638         0.355131      0.187787      0.194792
     -0.02032      2.74174     17.02185        -0.074377      0.152656     -0.087856
     18.33437      5.56941     14.73470         0.049138     -0.047350      0.025877
     21.09262     18.83023     11.40286        -0.273778      0.068410     -0.137967
      2.14147     15.76451     14.00234        -0.204576      0.326216      0.030780
      0.49600      4.84353     13.04271         0.690560     -0.043559      0.683795
      4.06817      6.08391     15.70889         0.406572      0.443851      0.445795
     18.17982     20.79148      7.91561         0.020929     -0.033294     -0.050466
     15.89591     19.57787      4.03139         0.308310      0.079227      0.273983
     18.08998      7.20474      9.41500         0.067919     -0.025717      0.414242
     16.07113      9.94179      6.22343         0.065217      0.074239      0.062317
     18.47437      2.40150      3.33575        -0.107665      0.058899     -0.271753
     20.66047     20.21491      5.54449        -0.060895      0.140021     -0.016274
     19.29750      9.17578      5.36900        -0.372614      0.134134     -0.334597
      0.71266     10.17976      9.00710         0.789640      0.937733      1.081232
     14.00358     17.49274      5.31190        -0.042638     -0.111222      0.188518
     15.91994     16.50808      5.64656         0.004386     -0.010918      0.104072
     14.78985     16.17467      3.80607         0.029382     -0.015395     -0.223463
     11.93796     15.37669     11.49332        -0.034889     -0.018922     -0.038026
     11.43451     14.59027      9.53288        -0.016223     -0.135366     -0.047706
     13.23078     13.88036     10.61488         0.047342     -0.010679     -0.097214
     11.94698     17.94053      7.25869         0.045903      0.181203     -0.142854
     10.00179     18.52005      6.44963         0.028460      0.008877     -0.062032
     10.17808     16.81519      7.77617        -0.000403     -0.097124      0.071388
     13.21187     18.54613      0.10913         0.067750     -0.049799     -0.144143
     14.12115     17.12974      1.47530         0.145122     -0.292586      0.052472
     12.03106     16.89553      0.85168         0.002704     -0.112754      0.018682
     10.84886      0.34939     18.35876         0.153848     -0.110644      0.192161
     12.80800     -0.42700     18.99501         0.068722      0.106791      0.102605
     11.91661     20.24178     17.09155         0.265453     -0.040264     -0.189537
      8.60384     19.35727      3.54553         0.009700     -0.050219     -0.198540
      7.74902     18.80856      1.59722         0.086779     -0.193971     -0.186175
      9.63096     17.93978      2.30460         0.069412      0.031437     -0.167495
      7.68578      0.81816     20.39482         0.034616      0.032553     -0.183356
      5.91989      1.01849     19.09742         0.117800      0.045300     -0.161367
      6.05902     20.66555     20.55560        -0.051733      0.025264     -0.079350
      9.91602      1.22552     13.29412         0.031478     -0.011004      0.039195
     11.01416      0.00064     14.69977         0.275546     -0.334054      0.171029
      8.97480     20.71944     14.09364         0.384793      0.090955      0.044719
      8.40446      4.05752      9.64800         0.157409     -0.263634      0.060237
     10.15442      3.05766     10.52198        -0.049526      0.041333      0.237108
      9.44478      2.50900      8.54806         0.251135     -0.118451     -0.156840
      6.05022      1.88169     16.16629         0.126157      0.073452     -0.151110
      5.04237      1.33564     14.32070         0.410292      0.002181     -0.124329
      6.95091      0.45761     14.85105        -0.099582      0.139921     -0.173623
      5.10008      5.08247     12.13434        -0.211932     -0.115713     -0.153939
      3.05162      4.39330     11.76941        -0.018961     -0.160056     -0.005705
      4.39532      3.27480     13.01507         0.043587     -0.230785      0.232896
      7.18570      4.49038      5.29047         0.077199      0.026338     -0.195181
      7.37756      2.93449      6.77381        -0.106120      0.008229      0.186434
      5.39713      3.49691      6.00375        -0.062363     -0.005254      0.083787
     -0.56545      7.24179      4.48469         0.238928     -0.068328     -0.096960
      1.09537      7.47500      3.15321         0.013589     -0.036030      0.047968
     -0.53764      6.07360      2.68697        -0.226784     -0.022858     -0.012357
      3.25061      5.69988      9.84392         0.014306     -0.143291      0.167311
      1.84011      4.48770      8.78506        -0.192982      0.022357      0.012194
      3.81511      4.77064      7.93851        -0.045762     -0.007286      0.003003
      6.09113      6.97650      3.51210         0.182327      0.047953     -0.012775
      4.16523      7.49567      4.46694        -0.084640     -0.016505     -0.011006
      5.13736      5.72256      5.05922        -0.113453     -0.053369     -0.203558
      0.25788      8.62543     20.70897        -0.156615     -0.252684     -0.203626
      1.77596      7.12139     -1.01768         0.183684     -0.103883      0.435516
      0.43264      6.86554      0.66921         0.021281     -0.026012     -0.174343
     19.40048      9.38946     19.02089         0.254359      0.091020      0.025774
     19.80968     10.34676     17.07637        -0.012149     -0.176331      0.054721
     18.30195      8.79453     17.25522        -0.127252      0.008738     -0.092535
      4.86722      8.09673     19.96108         0.049669      0.143965     -0.035484
      3.84006      6.68785     18.79357        -0.445040     -0.148709     -0.137322
      4.72436      8.35747     17.73028         0.035633     -0.310827      0.096934
      3.38195     11.42957     14.41852        -0.145205      0.192779     -0.067173
      2.53876     11.61251     16.41742        -0.205697     -0.096031     -0.017135
      3.96547     10.06494     15.99622         0.153321     -0.046688     -0.030654
     17.33550     11.31894     13.14898        -0.145790     -0.033655     -0.056472
     18.87084      9.91459     12.56484         0.052129     -0.081144     -0.028794
     18.01965      9.83254     14.58045        -0.014510     -0.246933      0.220550
     16.22327     14.19928      9.85271         0.069212      0.046351      0.099726
     17.79322     14.93107      8.49542         0.053576     -0.087295      0.062163
     16.23336     13.64698      7.73836        -0.034569      0.049826     -0.164050
      1.76897     12.52013     12.46651        -0.001188      0.074905      0.111150
      0.33891     11.04263     11.94888        -0.229760     -0.017500     -0.205128
      1.37526     12.15389     10.37468        -0.133291     -0.165325     -0.235246
      1.22938     15.63531      7.15369         0.023622      0.181859     -0.229223
     21.20790     15.71587      8.92918        -0.099398     -0.013743     -0.116053
      1.38235     14.14809      8.73723         0.332611     -0.049451     -0.039257
     17.28276     16.13213      2.80029         0.181310      0.095580     -0.187597
     18.84644     14.65415      3.09100         0.261490      0.182469      0.093911
     16.97511     14.51736      4.22443         0.094437      0.065949     -0.090924
 -----------------------------------------------------------------------------------
    total drift:                               -0.003632      0.006547      0.003027


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4567.7453713084 eV

  energy  without entropy=    -4567.8958031643  energy(sigma->0) =    -4567.79551526
 
 d Force = 0.8393166E+00[ 0.266E+00, 0.141E+01]  d Energy = 0.8408781E+00-0.156E-02
 d Force = 0.9234680E+03[ 0.921E+03, 0.926E+03]  d Ewald  = 0.9234725E+03-0.447E-02


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.840878  1 .order   -0.839317   -1.412383   -0.266250
  (g-gl).g = 0.470E+01      g.g   = 0.476E+01  gl.gl    = 0.626E+01
 g(Force)  = 0.476E+01   g(Stress)= 0.000E+00 ortho     =-0.575E-02
 gamma     =   0.75125
 trial     =   0.29704
 opt step  =   0.36604  (harmonic =   0.36604) maximal distance =0.04693109
 next E    = -4567.774735   (d E  =  -0.87024)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   51(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.2804508E-01  (-0.2823205E+01)
 number of electron    2497.9999962 magnetization 
 augmentation part      162.6579200 magnetization 

  free energy =  -0.456771731919E+04  energy without entropy=  -0.456786762195E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   51(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3520
 total energy-change (2. order) :-0.5987586E-01  (-0.7213949E-01)
 number of electron    2497.9999962 magnetization 
 augmentation part      162.6685026 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8876
  0.8876

  free energy =  -0.456777719505E+04  energy without entropy=  -0.456792741041E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   51(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3696
 total energy-change (2. order) : 0.1836760E-02  (-0.1413649E-02)
 number of electron    2497.9999962 magnetization 
 augmentation part      162.6652084 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4322
  1.0912  1.7733

  free energy =  -0.456777535829E+04  energy without entropy=  -0.456792579054E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   51(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) :-0.5163730E-03  (-0.1065167E-02)
 number of electron    2497.9999962 magnetization 
 augmentation part      162.6622934 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2857
  2.1885  0.9194  0.7491

  free energy =  -0.456777587466E+04  energy without entropy=  -0.456792608934E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   51(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) :-0.1625087E-03  (-0.2413365E-03)
 number of electron    2497.9999962 magnetization 
 augmentation part      162.6619803 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3028
  2.3547  0.8941  0.9812  0.9812

  free energy =  -0.456777603717E+04  energy without entropy=  -0.456792643769E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   51(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) : 0.9178245E-04  (-0.1159189E-03)
 number of electron    2497.9999962 magnetization 
 augmentation part      162.6621640 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2492
  2.4033  1.0913  1.0913  0.8302  0.8302

  free energy =  -0.456777594539E+04  energy without entropy=  -0.456792622228E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   51(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) :-0.8742965E-05  (-0.2785920E-04)
 number of electron    2497.9999962 magnetization 
 augmentation part      162.6622091 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2230
  2.4263  1.2109  1.2109  0.9229  0.9229  0.6437

  free energy =  -0.456777595413E+04  energy without entropy=  -0.456792636420E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   51(   8)  ---------------------------------------



 eigenvalue-minimisations  :  2808
 total energy-change (2. order) : 0.7264229E-05  (-0.3196192E-05)
 number of electron    2497.9999962 magnetization 
 augmentation part      162.6622091 magnetization 

  free energy =  -0.456777594687E+04  energy without entropy=  -0.456792629293E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0433       2 -56.1512       3 -56.0761       4 -55.8141       5 -55.8271
       6 -56.2975       7 -58.1716       8 -58.2469       9 -56.2706      10 -55.9643
      11 -56.0200      12 -55.8111      13 -55.7978      14 -55.9839      15 -58.0949
      16 -58.1064      17 -56.3442      18 -54.9691      19 -54.9094      20 -55.1129
      21 -55.6462      22 -55.6563      23 -55.7289      24 -55.6265      25 -54.9443
      26 -54.8375      27 -54.9467      28 -54.9145      29 -60.4110      30 -60.3679
      31 -55.6351      32 -55.8203      33 -55.7325      34 -55.2856      35 -55.4894
      36 -55.9671      37 -57.8321      38 -58.0329      39 -56.0764      40 -55.8090
      41 -55.9239      42 -55.7132      43 -55.7431      44 -55.9038      45 -58.1123
      46 -58.1489      47 -56.4454      48 -55.1258      49 -54.9742      50 -55.2714
      51 -55.8986      52 -55.8681      53 -55.7436      54 -55.6992      55 -55.0618
      56 -54.8207      57 -54.9630      58 -56.3302      59 -60.3525      60 -60.6150
      61 -56.0290      62 -56.0842      63 -55.9673      64 -55.7928      65 -55.7779
      66 -56.2554      67 -58.0946      68 -58.1581      69 -56.2541      70 -55.9174
      71 -56.0217      72 -55.7455      73 -55.6863      74 -55.9271      75 -58.0861
      76 -58.1724      77 -56.4423      78 -55.0926      79 -54.9879      80 -55.2375
      81 -55.8337      82 -55.8550      83 -55.9093      84 -55.9249      85 -55.1853
      86 -55.0888      87 -55.2003      88 -56.4362      89 -60.7201      90 -60.4581
      91 -55.7168      92 -55.8456      93 -55.7581      94 -55.4803      95 -55.5566
      96 -56.0377      97 -57.9053      98 -58.0193      99 -56.1620     100 -55.9199
     101 -56.0379     102 -55.6857     103 -55.7315     104 -55.9562     105 -58.1237
     106 -58.2327     107 -56.4771     108 -55.1460     109 -54.9731     110 -55.3939
     111 -55.9670     112 -55.8761     113 -55.7838     114 -55.7838     115 -55.0943
     116 -54.9326     117 -55.0218     118 -56.3672     119 -60.4159     120 -60.6134
     121 -55.9108     122 -55.9798     123 -55.8604     124 -55.7294     125 -55.7514
     126 -56.1437     127 -58.0646     128 -58.1793     129 -56.0669     130 -55.7582
     131 -55.8443     132 -55.6318     133 -55.5593     134 -55.7800     135 -57.9119
     136 -58.0039     137 -56.4096     138 -55.0892     139 -54.9425     140 -55.2284
     141 -55.8345     142 -55.8462     143 -55.9276     144 -55.9223     145 -55.1795
     146 -55.1309     147 -55.2109     148 -56.4279     149 -60.5965     150 -60.5650
     151 -55.5874     152 -55.6338     153 -55.4900     154 -55.3131     155 -55.4278
     156 -55.8679     157 -57.9115     158 -57.8757     159 -55.9658     160 -55.7306
     161 -55.8925     162 -55.5166     163 -55.5714     164 -55.7963     165 -57.9908
     166 -58.0873     167 -56.4669     168 -55.0746     169 -54.8920     170 -55.3156
     171 -55.9448     172 -55.9199     173 -55.8064     174 -55.7260     175 -55.2804
     176 -54.7793     177 -54.9910     178 -56.4234     179 -60.4456     180 -60.6262
     181 -55.9155     182 -56.0941     183 -55.9416     184 -55.6781     185 -55.6765
     186 -56.2050     187 -57.9995     188 -58.2556     189 -56.2202     190 -55.8724
     191 -55.9990     192 -55.7335     193 -55.7007     194 -55.9261     195 -58.0880
     196 -58.2043     197 -56.4839     198 -55.0523     199 -54.9505     200 -55.2540
     201 -55.8773     202 -55.9409     203 -55.8783     204 -55.8102     205 -55.1042
     206 -55.2199     207 -55.1426     208 -56.4194     209 -60.7139     210 -60.5054
     211 -55.9492     212 -56.0980     213 -55.9580     214 -55.7257     215 -55.6936
     216 -56.2032     217 -58.0798     218 -58.2545     219 -56.0976     220 -55.7994
     221 -55.9019     222 -55.5863     223 -55.4871     224 -55.7995     225 -57.9861
     226 -58.1199     227 -56.5128     228 -55.1198     229 -55.0536     230 -55.2481
     231 -55.7675     232 -55.9364     233 -55.9571     234 -55.7004     235 -55.0105
     236 -55.1158     237 -55.1765     238 -56.4270     239 -60.3732     240 -60.3706
     241 -55.9538     242 -56.0034     243 -55.8891     244 -55.7467     245 -55.7736
     246 -56.1906     247 -58.0816     248 -58.1341     249 -56.1793     250 -55.8768
     251 -55.9650     252 -55.7402     253 -55.7065     254 -55.8842     255 -57.9595
     256 -58.0673     257 -56.3512     258 -55.0529     259 -54.8952     260 -55.1875
     261 -55.7903     262 -55.8039     263 -55.8638     264 -55.9475     265 -55.3201
     266 -54.9582     267 -55.1478     268 -56.4172     269 -60.6567     270 -60.3698
     271 -55.8744     272 -55.9521     273 -55.7869     274 -55.6868     275 -55.6609
     276 -56.0578     277 -58.0884     278 -58.1769     279 -55.9333     280 -55.6845
     281 -55.7676     282 -55.5186     283 -55.4704     284 -55.7619     285 -58.0687
     286 -57.9704     287 -56.3887     288 -54.9625     289 -54.9289     290 -55.2702
     291 -55.8779     292 -55.8526     293 -55.8215     294 -55.7790     295 -55.1274
     296 -54.9144     297 -55.0081     298 -56.3613     299 -60.4057     300 -60.5618
     301 -55.8554     302 -55.9976     303 -55.8975     304 -55.5806     305 -55.6158
     306 -56.1019     307 -58.0779     308 -58.2197     309 -56.1071     310 -55.7962
     311 -55.9235     312 -55.6603     313 -55.6141     314 -55.8525     315 -58.0103
     316 -58.0678     317 -56.3940     318 -55.0168     319 -54.8556     320 -55.2173
     321 -55.7953     322 -55.7570     323 -55.8947     324 -55.9022     325 -55.1796
     326 -55.1162     327 -55.2402     328 -56.4470     329 -60.6184     330 -60.4203
     331 -55.7553     332 -55.7644     333 -55.6709     334 -55.5905     335 -55.5710
     336 -56.0227     337 -57.9741     338 -57.9487     339 -55.8773     340 -55.5381
     341 -55.6766     342 -55.5207     343 -55.4981     344 -55.6870     345 -58.0020
     346 -57.9217     347 -56.4062     348 -54.9556     349 -54.9285     350 -55.2243
     351 -55.8048     352 -55.8206     353 -55.7888     354 -55.7541     355 -55.2059
     356 -54.8955     357 -54.9971     358 -56.4096     359 -60.4505     360 -60.5389
     361 -39.0868     362 -38.8218     363 -38.9716     364 -39.0420     365 -38.9562
     366 -38.7547     367 -38.0637     368 -38.0805     369 -38.1031     370 -38.1710
     371 -38.1823     372 -38.2369     373 -38.7503     374 -38.3259     375 -38.6361
     376 -38.7837     377 -38.8275     378 -38.7707     379 -38.1439     380 -38.1323
     381 -38.2341     382 -38.0455     383 -38.2036     384 -38.0045     385 -38.8452
     386 -38.8106     387 -38.8576     388 -38.8548     389 -38.8181     390 -38.5511
     391 -38.2352     392 -38.1712     393 -38.2104     394 -38.1616     395 -38.2651
     396 -38.3017     397 -38.7220     398 -38.4236     399 -38.7043     400 -38.8556
     401 -38.7285     402 -38.7750     403 -38.2161     404 -38.1646     405 -38.3659
     406 -38.1697     407 -38.1049     408 -37.9257     409 -38.7361     410 -38.7654
     411 -38.9401     412 -38.6703     413 -38.8345     414 -38.5720     415 -38.2287
     416 -38.2393     417 -38.1628     418 -38.1097     419 -38.1535     420 -38.3175
     421 -38.5078     422 -38.2609     423 -38.4884     424 -38.6421     425 -38.5754
     426 -38.6445     427 -38.2005     428 -38.0781     429 -38.3249     430 -38.2682
     431 -38.0389     432 -37.9648     433 -38.7482     434 -38.6981     435 -38.9525
     436 -38.7079     437 -38.9594     438 -38.7394     439 -38.4094     440 -38.1258
     441 -38.2901     442 -38.1754     443 -38.2154     444 -38.0957     445 -38.8322
     446 -38.8018     447 -38.9064     448 -38.7362     449 -38.7870     450 -38.3775
     451 -38.1322     452 -37.9585     453 -38.1495     454 -37.9939     455 -38.0968
     456 -38.1741     457 -38.8701     458 -38.6839     459 -38.8422     460 -38.8279
     461 -38.8190     462 -38.6432     463 -38.1070     464 -38.2583     465 -38.1535
     466 -38.4639     467 -38.0844     468 -38.1616     469 -38.8882     470 -38.7209
     471 -38.6628     472 -38.7078     473 -38.5117     474 -38.4012     475 -38.1266
     476 -38.0287     477 -38.1522     478 -38.0458     479 -38.1515     480 -37.9925
     481 -38.8091     482 -38.7560     483 -38.8391     484 -38.7886     485 -38.8699
     486 -38.7475     487 -38.2047     488 -38.1880     489 -38.1907     490 -38.2717
     491 -38.2097     492 -38.3180     493 -38.7733     494 -38.5663     495 -38.6305
     496 -38.6222     497 -38.4789     498 -38.4874     499 -38.1255     500 -37.9571
     501 -38.2324     502 -38.1632     503 -38.1032     504 -37.9859     505 -38.2818
     506 -41.0302     507 -71.7147     508 -71.5543     509 -71.4307     510 -71.6335
     511 -71.5804     512 -71.5665     513 -71.4352     514 -71.6580     515 -71.5723
     516 -71.3742     517 -71.3814     518 -71.5811     519 -71.5041     520 -71.6358
     521 -71.5119     522 -71.4437     523 -71.5679     524 -71.4760     525 -71.6227
     526 -71.4785     527 -71.6069     528 -71.4659     529 -71.2084     530 -71.4224
     531 -76.8913     532 -76.8352     533 -76.8215     534 -76.7745     535 -76.6811
     536 -76.5835     537 -76.7967     538 -76.7880     539 -76.7510     540 -76.6427
     541 -76.8504     542 -76.7611     543 -76.6685     544 -76.6144     545 -76.8832
     546 -76.7661     547 -76.8500     548 -76.7867     549 -76.7203     550 -76.6081
     551 -76.6001     552 -76.6050     553 -76.6284     554 -76.6818     555 -76.9533
     556 -76.7060     557 -76.9144     558 -76.7949     559 -76.9089     560 -76.7469
     561 -76.7969     562 -76.7080     563 -76.8005     564 -76.7322     565 -76.7163
     566 -76.6165     567 -76.8748     568 -76.7537     569 -76.5218     570 -76.8656
     571 -76.8958     572 -76.7651     573 -76.7734     574 -76.7207     575 -76.6402
     576 -76.6222     577 -76.6093     578 -76.8048     579 -82.3349     580 -82.3338
     581 -82.3527     582 -82.3597     583 -82.2729     584 -82.3002     585 -82.4957
     586 -82.5180     587 -82.5802     588 -82.2064     589 -82.1633     590 -82.4212
     591 -82.4144     592 -82.2670     593 -82.4077     594 -82.6518     595 -82.5506
     596 -82.7377     597 -82.4829     598 -82.4737     599 -82.6087     600 -82.2438
     601 -82.2609     602 -82.3152     603 -82.5006     604 -82.3623     605 -82.6715
     606 -82.3301     607 -82.3815     608 -82.6268     609 -82.6196     610 -82.3171
     611 -82.5778     612 -82.4253     613 -82.2814     614 -82.3324     615 -82.4640
     616 -82.5132     617 -82.3864     618 -82.7761     619 -82.7829     620 -82.7284
     621 -82.2677     622 -82.3788     623 -82.3689     624 -82.2918     625 -82.5058
     626 -82.1241     627 -82.1445     628 -82.2706     629 -82.2908     630 -82.3560
     631 -82.7851     632 -82.4259     633 -82.4230     634 -82.4836     635 -82.5061
     636 -82.2981     637 -82.3862     638 -82.2435     639 -82.2595     640 -82.3442
     641 -82.3964     642 -82.3960     643 -82.6101     644 -82.5047     645 -82.4083
     646 -82.4504     647 -82.6007     648 -82.3758     649 -82.3244     650 -82.2611
 
 
 
 E-fermi :  -1.4503     XC(G=0):  -6.4850     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
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      2     -29.0003      2.00000
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     12     -28.8402      2.00000
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     16     -28.7229      2.00000
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     18     -28.6870      2.00000
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     20     -28.6587      2.00000
     21     -28.6425      2.00000
     22     -28.6214      2.00000
     23     -28.6006      2.00000
     24     -28.5410      2.00000
     25     -27.0320      2.00000
     26     -26.8300      2.00000
     27     -26.7221      2.00000
     28     -26.6996      2.00000
     29     -26.6910      2.00000
     30     -26.6873      2.00000
     31     -26.6334      2.00000
     32     -26.6273      2.00000
     33     -26.6253      2.00000
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     40     -26.5212      2.00000
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     42     -26.5035      2.00000
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     46     -26.4729      2.00000
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     48     -26.4529      2.00000
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     50     -26.4402      2.00000
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     56     -26.4099      2.00000
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     65     -26.3046      2.00000
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     67     -26.2874      2.00000
     68     -26.2568      2.00000
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     76     -23.2117      2.00000
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     92     -23.0182      2.00000
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   1239      -1.7112      2.06916
   1240      -1.7030      2.07048
   1241      -1.6909      2.07076
   1242      -1.6593      2.05837
   1243      -1.6546      2.05446
   1244      -1.6298      2.02186
   1245      -1.6147      1.99079
   1246      -1.6047      1.96507
   1247      -1.6010      1.95431
   1248      -1.5763      1.86595
   1249      -1.5714      1.84486
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   1372       3.8159     -0.00000
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   1400       4.1796      0.00000
   1401       4.2002      0.00000
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   1405       4.2635      0.00000
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   1422       4.4850      0.00000
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   1424       4.5041      0.00000
   1425       4.5502      0.00000
   1426       4.5576      0.00000
   1427       4.5854      0.00000
   1428       4.5867      0.00000
   1429       4.5896      0.00000
   1430       4.6351      0.00000
   1431       4.6451      0.00000
   1432       4.6723      0.00000
   1433       4.6866      0.00000
   1434       4.7041      0.00000
   1435       4.7571      0.00000
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   1437       4.8078      0.00000
   1438       4.8226      0.00000
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   1481       5.4109      0.00000
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   1499       5.5663      0.00000
   1500       5.5798      0.00000
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   1502       5.6018      0.00000
   1503       5.6103      0.00000
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   1505       5.6355      0.00000
   1506       5.6514      0.00000
   1507       5.6539      0.00000
   1508       5.6658      0.00000
   1509       5.6694      0.00000
   1510       5.6864      0.00000
   1511       5.6885      0.00000
   1512       5.6975      0.00000
   1513       5.7062      0.00000
   1514       5.7134      0.00000
   1515       5.7196      0.00000
   1516       5.7366      0.00000
   1517       5.7451      0.00000
   1518       5.7554      0.00000
   1519       5.7731      0.00000
   1520       5.7793      0.00000
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   1522       5.7995      0.00000
   1523       5.8094      0.00000
   1524       5.8162      0.00000
   1525       5.8247      0.00000
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   1527       5.8405      0.00000
   1528       5.8573      0.00000
   1529       5.8630      0.00000
   1530       5.8762      0.00000
   1531       5.8915      0.00000
   1532       5.8992      0.00000
   1533       5.9008      0.00000
   1534       5.9194      0.00000
   1535       5.9234      0.00000
   1536       5.9278      0.00000
   1537       5.9394      0.00000
   1538       5.9458      0.00000
   1539       5.9548      0.00000
   1540       5.9638      0.00000
   1541       5.9713      0.00000
   1542       5.9859      0.00000
   1543       5.9956      0.00000
   1544       6.0067      0.00000
   1545       6.0152      0.00000
   1546       6.0183      0.00000
   1547       6.0244      0.00000
   1548       6.0287      0.00000
   1549       6.0368      0.00000
   1550       6.0456      0.00000
   1551       6.0595      0.00000
   1552       6.0603      0.00000
   1553       6.0834      0.00000
   1554       6.0858      0.00000
   1555       6.0977      0.00000
   1556       6.1038      0.00000
   1557       6.1184      0.00000
   1558       6.1259      0.00000
   1559       6.1439      0.00000
   1560       6.1465      0.00000
   1561       6.1561      0.00000
   1562       6.1692      0.00000
   1563       6.1727      0.00000
   1564       6.1777      0.00000
   1565       6.1835      0.00000
   1566       6.1903      0.00000
   1567       6.1964      0.00000
   1568       6.2081      0.00000
   1569       6.2158      0.00000
   1570       6.2209      0.00000
   1571       6.2333      0.00000
   1572       6.2428      0.00000
   1573       6.2496      0.00000
   1574       6.2566      0.00000
   1575       6.2684      0.00000
   1576       6.2788      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.088  13.413  -0.001   0.001  -0.000   0.001  -0.004   0.000
 13.413  17.832  -0.001   0.002  -0.000   0.002  -0.006   0.001
 -0.001  -0.001  -4.233   0.003   0.001   8.279  -0.004  -0.001
  0.001   0.002   0.003  -4.233   0.001  -0.004   8.279  -0.001
 -0.000  -0.000   0.001   0.001  -4.226  -0.001  -0.001   8.269
  0.001   0.002   8.279  -0.004  -0.001 -18.322   0.007   0.002
 -0.004  -0.006  -0.004   8.279  -0.001   0.007 -18.319  -0.000
  0.000   0.001  -0.001  -0.001   8.269   0.002  -0.000 -18.312
 total augmentation occupancy for first ion, spin component:           1
  8.497  -3.831   0.190   0.132  -0.040   0.024   0.025  -0.007
 -3.831   1.800  -0.098  -0.089   0.023  -0.010  -0.015   0.004
  0.190  -0.098   1.777  -0.065  -0.040   0.168  -0.011  -0.008
  0.132  -0.089  -0.065   1.914  -0.079  -0.011   0.180  -0.011
 -0.040   0.023  -0.040  -0.079   1.225  -0.008  -0.011   0.081
  0.024  -0.010   0.168  -0.011  -0.008   0.018  -0.002  -0.001
  0.025  -0.015  -0.011   0.180  -0.011  -0.002   0.018  -0.001
 -0.007   0.004  -0.008  -0.011   0.081  -0.001  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -51642.44158 97291.87676 25867.87575-11531.29106  6723.90223 21156.86734
  Hartree  3874.62039124188.80257 63963.97448-11897.98044  4710.33776 15526.14278
  E(xc)  -10733.65055-10587.14073-10630.18331     2.66777     7.95383    32.09369
  Local   14347.20926************************ 23419.58414-11465.50150-36105.61865
  n-local -5845.88655 -5973.81338 -6031.24412     3.63653    17.42937   -62.40052
  augment  1493.95069  1535.90113  1487.53353     5.30724    12.97412    -2.60715
  Kinetic 45512.07503 43205.60159 43676.62914   -21.19795   -66.93466  -552.36050
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -86.2645986   -432.3770446   -144.4829380    -19.2737871    -59.8388541     -7.8830037
  in kB      -14.3853123    -72.1023331    -24.0936864     -3.2140583     -9.9786079     -1.3145540
  external PRESSURE =     -36.8604439 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.242E+03 -.114E+03 0.249E+03   0.242E+03 0.115E+03 -.251E+03   -.575E-01 -.636E+00 0.128E+01   0.958E-03 0.190E-03 -.374E-03
   -.200E+03 -.140E+03 0.581E+02   0.200E+03 0.141E+03 -.576E+02   0.159E+00 -.131E+01 -.322E+00   0.425E-03 -.487E-04 -.344E-04
   -.170E+03 -.127E+03 0.235E+01   0.170E+03 0.128E+03 -.692E+00   0.322E+00 -.119E+01 -.170E+01   0.506E-03 -.412E-03 -.482E-03
   -.225E+03 -.102E+03 0.344E+03   0.225E+03 0.102E+03 -.346E+03   -.172E+00 0.235E+00 0.249E+01   0.124E-02 -.110E-03 -.104E-02
   -.174E+03 -.149E+03 0.306E+03   0.174E+03 0.150E+03 -.307E+03   0.163E+00 -.745E+00 0.115E+01   0.592E-03 0.202E-03 -.840E-03
   -.157E+03 -.112E+03 0.168E+03   0.156E+03 0.112E+03 -.169E+03   0.114E+00 -.345E-01 0.101E+00   0.500E-03 -.269E-03 -.511E-03
   -.244E+03 -.131E+03 0.186E+03   0.244E+03 0.136E+03 -.186E+03   0.666E+00 -.440E+01 0.936E+00   0.112E-02 0.576E-04 -.328E-03
   -.184E+03 -.120E+03 0.325E+02   0.185E+03 0.124E+03 -.342E+02   -.409E+00 -.420E+01 0.197E+01   -.194E-03 -.204E-03 0.154E-02
   -.116E+03 0.626E+01 0.197E+03   0.116E+03 -.626E+01 -.197E+03   -.432E-01 0.561E-01 0.125E-01   0.452E-03 -.299E-03 -.557E-03
   -.871E+02 0.888E+02 0.634E+02   0.865E+02 -.903E+02 -.622E+02   0.465E+00 0.135E+01 -.119E+01   0.783E-03 -.896E-04 -.276E-03
   -.975E+02 0.107E+03 0.138E+03   0.973E+02 -.108E+03 -.138E+03   0.244E+00 0.981E+00 0.135E+00   0.537E-03 -.125E-03 -.200E-03
   -.114E+03 0.295E+00 0.335E+03   0.114E+03 -.544E+00 -.336E+03   -.631E-01 0.295E+00 0.123E+01   0.122E-03 0.423E-04 -.123E-02
   -.117E+03 -.369E+02 0.367E+03   0.117E+03 0.378E+02 -.369E+03   -.266E-01 -.114E+01 0.221E+01   0.343E-03 0.872E-03 -.136E-02
   -.126E+03 0.264E+02 0.307E+03   0.126E+03 -.263E+02 -.308E+03   -.314E+00 0.892E-01 0.147E+01   0.442E-03 0.171E-03 -.113E-02
   -.117E+03 0.115E+03 0.273E+03   0.116E+03 -.119E+03 -.275E+03   0.545E+00 0.393E+01 0.228E+01   0.926E-03 0.247E-02 -.191E-02
   -.917E+02 0.118E+03 0.109E+03   0.916E+02 -.121E+03 -.113E+03   0.191E+00 0.298E+01 0.342E+01   0.523E-03 0.126E-03 0.119E-03
   -.823E+02 0.115E+03 0.583E+02   0.827E+02 -.110E+03 -.541E+02   -.329E+00 -.450E+01 -.413E+01   0.750E-03 -.364E-03 -.745E-03
   -.147E+02 0.204E+03 -.152E+03   0.141E+02 -.206E+03 0.154E+03   0.698E+00 0.190E+01 -.207E+01   0.736E-03 -.130E-02 0.132E-02
   0.216E+02 0.152E+03 -.202E+03   -.217E+02 -.152E+03 0.204E+03   0.239E+00 0.328E+00 -.171E+01   0.472E-03 -.953E-03 0.148E-02
   -.759E+02 0.119E+03 0.183E+03   0.769E+02 -.118E+03 -.186E+03   -.102E+01 -.806E+00 0.307E+01   0.652E-03 -.275E-03 -.675E-03
   -.844E+01 0.744E+02 -.412E+01   0.727E+01 -.759E+02 0.560E+01   0.108E+01 0.162E+01 -.110E+01   0.145E-03 -.615E-03 -.581E-03
   -.513E+01 0.139E+02 -.137E+03   0.515E+01 -.142E+02 0.138E+03   0.146E+00 0.161E+00 -.883E+00   0.199E-03 0.270E-03 0.102E-02
   -.475E+02 -.304E+02 -.178E+03   0.478E+02 0.307E+02 0.177E+03   -.282E+00 -.450E+00 0.654E+00   -.207E-03 0.198E-03 0.169E-02
   -.522E+02 -.661E+02 -.236E+03   0.534E+02 0.676E+02 0.235E+03   -.132E+01 -.166E+01 0.119E+01   -.747E-03 0.289E-04 0.199E-02
   -.300E+02 -.157E+03 -.346E+03   0.296E+02 0.157E+03 0.348E+03   0.407E+00 -.690E+00 -.180E+01   -.105E-02 0.586E-04 0.198E-02
   -.115E+03 -.165E+03 -.161E+03   0.115E+03 0.165E+03 0.159E+03   -.939E+00 -.265E+00 0.194E+01   0.119E-03 0.294E-03 0.197E-02
   -.964E+02 -.284E+03 -.194E+03   0.967E+02 0.285E+03 0.194E+03   -.323E+00 -.785E+00 0.612E+00   0.152E-03 -.571E-04 0.172E-02
   -.489E+02 -.266E+03 -.300E+03   0.489E+02 0.267E+03 0.301E+03   -.798E-01 -.138E+01 -.306E+00   -.518E-03 0.169E-03 0.132E-02
   -.551E+02 -.196E+02 -.224E+03   0.611E+02 0.273E+02 0.219E+03   -.604E+01 -.770E+01 0.504E+01   -.532E-03 0.925E-03 0.114E-02
   -.740E+01 0.513E+02 0.219E+02   0.227E+01 -.600E+02 -.169E+02   0.507E+01 0.856E+01 -.484E+01   -.213E-02 0.376E-03 -.222E-02
   -.218E+03 -.269E+02 -.413E+02   0.219E+03 0.268E+02 0.429E+02   -.277E+00 -.118E+00 -.146E+01   -.480E-03 -.191E-03 0.534E-03
   -.149E+03 -.151E+03 0.136E+03   0.149E+03 0.152E+03 -.136E+03   0.450E-01 -.139E+01 -.323E+00   -.114E-02 -.360E-03 0.341E-03
   -.161E+03 -.156E+03 0.183E+03   0.161E+03 0.158E+03 -.184E+03   0.132E+00 -.165E+01 0.111E+01   -.150E-02 -.519E-03 0.268E-03
   -.317E+03 0.731E+01 -.164E+03   0.317E+03 -.908E+01 0.166E+03   0.211E+00 0.195E+01 -.278E+01   0.334E-03 -.356E-03 -.625E-03
   -.303E+03 -.682E+02 -.189E+03   0.302E+03 0.683E+02 0.190E+03   0.178E+00 -.319E-01 -.125E+01   0.311E-03 -.269E-03 -.668E-03
   -.227E+03 -.718E+02 -.264E+01   0.226E+03 0.717E+02 0.259E+01   0.322E+00 0.240E+00 -.698E-01   -.619E-03 -.590E-03 0.400E-03
   -.126E+03 -.601E+02 -.562E+01   0.127E+03 0.651E+02 0.793E+01   -.899E+00 -.381E+01 -.263E+01   -.108E-02 -.149E-02 0.109E-02
   -.772E+02 -.145E+03 0.115E+03   0.776E+02 0.149E+03 -.111E+03   -.414E+00 -.319E+01 -.371E+01   -.118E-02 -.178E-03 0.973E-04
   -.201E+03 0.467E+02 -.113E+02   0.201E+03 -.470E+02 0.113E+02   0.758E-01 0.255E+00 -.236E-01   -.553E-03 -.536E-03 0.525E-03
   -.116E+03 0.583E+02 0.197E+03   0.115E+03 -.596E+02 -.198E+03   0.283E+00 0.106E+01 0.174E+01   -.116E-02 -.562E-03 0.444E-03
   -.826E+02 0.817E+02 0.108E+03   0.827E+02 -.832E+02 -.108E+03   0.423E-01 0.143E+01 0.286E+00   -.415E-03 -.236E-03 0.190E-03
   -.232E+03 0.866E+02 -.230E+03   0.232E+03 -.874E+02 0.231E+03   0.730E-01 0.951E+00 -.967E+00   0.388E-03 -.239E-03 0.159E-03
   -.192E+03 0.437E+02 -.304E+03   0.192E+03 -.440E+02 0.306E+03   -.895E-02 0.488E-01 -.226E+01   0.522E-03 -.490E-03 0.692E-03
   -.121E+03 0.612E+02 -.160E+03   0.121E+03 -.620E+02 0.161E+03   -.171E+00 0.870E+00 -.120E+01   0.535E-04 -.962E-03 0.762E-03
   -.677E+02 0.105E+03 -.102E+03   0.676E+02 -.110E+03 0.103E+03   0.611E-01 0.475E+01 -.611E+00   -.163E-03 -.135E-03 0.126E-02
   -.282E+02 0.878E+02 0.134E+03   0.278E+02 -.922E+02 -.132E+03   0.391E+00 0.449E+01 -.195E+01   -.323E-03 -.303E-03 -.101E-04
   0.223E+02 0.525E+02 0.980E+02   -.207E+02 -.467E+02 -.100E+03   -.159E+01 -.549E+01 0.192E+01   -.137E-03 0.644E-03 -.472E-03
   -.113E+02 0.131E+03 0.275E+03   0.123E+02 -.132E+03 -.278E+03   -.979E+00 0.132E+01 0.260E+01   0.148E-03 0.522E-03 -.158E-02
   -.414E+02 0.127E+03 0.240E+03   0.423E+02 -.126E+03 -.242E+03   -.979E+00 -.222E+00 0.190E+01   -.181E-03 0.203E-03 -.176E-02
   0.430E+02 0.755E+02 -.517E+02   -.440E+02 -.756E+02 0.548E+02   0.908E+00 0.239E+00 -.301E+01   -.561E-03 0.609E-03 -.958E-04
   0.559E+01 0.281E+02 0.301E+02   -.526E+01 -.291E+02 -.322E+02   -.329E+00 0.104E+01 0.211E+01   -.456E-03 0.524E-03 -.785E-04
   -.182E+02 0.151E+02 0.913E+02   0.186E+02 -.149E+02 -.921E+02   -.553E+00 -.141E+00 0.878E+00   -.169E-03 0.708E-03 -.983E-03
   -.828E+02 0.702E+01 0.422E+02   0.828E+02 -.712E+01 -.416E+02   -.118E-01 0.138E+00 -.668E+00   -.140E-03 0.514E-03 -.591E-03
   -.166E+03 -.142E+02 0.970E+02   0.165E+03 0.149E+02 -.955E+02   0.737E+00 -.983E+00 -.165E+01   0.148E-03 0.106E-03 -.535E-03
   -.258E+03 -.721E+02 0.168E+03   0.260E+03 0.722E+02 -.171E+03   -.147E+01 -.186E+00 0.284E+01   0.819E-03 -.456E-03 0.311E-04
   -.860E+02 -.112E+03 -.118E+03   0.856E+02 0.112E+03 0.120E+03   0.456E+00 0.327E+00 -.159E+01   -.267E-03 0.735E-03 -.195E-03
   -.117E+03 -.122E+03 -.163E+03   0.116E+03 0.124E+03 0.166E+03   0.823E+00 -.114E+01 -.288E+01   -.330E-03 0.143E-03 0.511E-03
   -.188E+03 -.541E+02 0.294E+02   0.187E+03 0.479E+02 -.272E+02   0.114E+01 0.590E+01 -.206E+01   0.321E-03 -.395E-03 0.243E-03
   -.199E+03 0.218E+02 0.145E+03   0.197E+03 -.155E+02 -.136E+03   0.299E+01 -.590E+01 -.849E+01   -.136E-02 -.486E-03 -.134E-02
   -.518E+02 0.112E+01 -.436E+02   0.535E+02 -.761E+01 0.346E+02   -.178E+01 0.643E+01 0.879E+01   -.544E-03 0.505E-03 0.168E-02
   -.366E+03 -.761E+02 0.829E+02   0.366E+03 0.766E+02 -.843E+02   0.205E+00 -.767E+00 0.124E+01   0.137E-02 0.537E-03 0.228E-03
   -.368E+03 -.104E+03 -.876E+02   0.368E+03 0.106E+03 0.882E+02   0.147E+00 -.142E+01 -.354E+00   0.148E-02 0.216E-03 0.610E-03
   -.338E+03 -.952E+02 -.135E+03   0.338E+03 0.964E+02 0.136E+03   0.685E-01 -.108E+01 -.169E+01   0.176E-02 -.327E-03 0.660E-03
   -.312E+03 -.674E+02 0.170E+03   0.312E+03 0.676E+02 -.172E+03   -.245E+00 0.210E+00 0.225E+01   0.161E-02 0.165E-03 0.599E-03
   -.258E+03 -.113E+03 0.130E+03   0.258E+03 0.114E+03 -.131E+03   0.102E+00 -.690E+00 0.104E+01   0.145E-02 0.162E-03 0.565E-03
   -.281E+03 -.829E+02 -.124E+01   0.281E+03 0.830E+02 0.127E+01   0.398E-01 -.158E-01 0.373E-01   0.158E-02 0.697E-04 -.258E-03
   -.383E+03 -.103E+03 0.190E+02   0.383E+03 0.106E+03 -.207E+02   0.405E+00 -.457E+01 0.881E+00   0.134E-02 0.170E-03 0.382E-03
   -.376E+03 -.100E+03 -.577E+02   0.377E+03 0.104E+03 0.563E+02   -.648E+00 -.435E+01 0.204E+01   0.115E-02 0.442E-03 0.993E-03
   -.236E+03 0.437E+02 0.222E+02   0.236E+03 -.438E+02 -.223E+02   -.300E-01 0.116E+00 0.236E-01   0.157E-02 -.146E-03 -.201E-04
   -.259E+03 0.118E+03 -.745E+02   0.259E+03 -.119E+03 0.758E+02   0.125E+00 0.156E+01 -.116E+01   0.205E-02 -.224E-03 0.508E-03
   -.257E+03 0.132E+03 -.185E+01   0.257E+03 -.133E+03 0.185E+01   0.162E+00 0.133E+01 0.211E+00   0.176E-02 0.803E-05 0.332E-03
   -.181E+03 0.417E+02 0.128E+03   0.181E+03 -.420E+02 -.129E+03   -.145E+00 0.310E+00 0.117E+01   0.119E-02 0.329E-03 0.652E-04
   -.173E+03 -.101E+02 0.139E+03   0.173E+03 0.110E+02 -.142E+03   -.842E-01 -.117E+01 0.242E+01   0.115E-02 0.824E-03 -.425E-03
   -.231E+03 0.349E+02 0.119E+03   0.231E+03 -.350E+02 -.121E+03   -.516E-01 0.225E+00 0.143E+01   0.134E-02 0.198E-03 -.638E-03
   -.247E+03 0.977E+02 0.110E+03   0.246E+03 -.102E+03 -.112E+03   0.459E+00 0.403E+01 0.223E+01   0.135E-02 0.145E-02 -.823E-03
   -.278E+03 0.143E+03 0.722E+02   0.277E+03 -.147E+03 -.761E+02   0.128E+00 0.324E+01 0.354E+01   0.160E-02 0.268E-04 0.855E-03
   -.272E+03 0.107E+03 0.984E+02   0.272E+03 -.102E+03 -.944E+02   0.380E+00 -.453E+01 -.381E+01   0.102E-02 -.757E-03 -.552E-03
   -.155E+03 0.201E+03 0.245E+02   0.154E+03 -.203E+03 -.228E+02   0.104E+01 0.153E+01 -.176E+01   0.183E-03 -.436E-03 -.658E-05
   -.787E+02 0.122E+03 0.508E+02   0.780E+02 -.122E+03 -.491E+02   0.798E+00 0.276E+00 -.178E+01   0.430E-03 -.583E-03 -.547E-03
   -.315E+03 0.934E+02 0.188E+03   0.317E+03 -.927E+02 -.191E+03   -.131E+01 -.673E+00 0.257E+01   0.133E-02 -.533E-03 -.163E-03
   -.232E+03 0.499E+02 0.103E+03   0.231E+03 -.513E+02 -.102E+03   0.943E+00 0.137E+01 -.107E+01   0.422E-03 -.448E-03 -.336E-03
   -.150E+03 -.467E+01 0.908E+02   0.150E+03 0.452E+01 -.902E+02   0.141E+00 0.289E+00 -.526E+00   0.313E-03 -.308E-03 -.417E-03
   -.136E+03 -.295E+01 0.128E+03   0.137E+03 0.300E+01 -.129E+03   -.500E+00 -.934E-01 0.675E+00   -.260E-03 -.366E-04 -.328E-03
   -.864E+02 -.345E+02 0.836E+02   0.879E+02 0.363E+02 -.850E+02   -.143E+01 -.188E+01 0.125E+01   -.540E-03 0.266E-03 -.752E-04
   -.135E+02 -.606E+02 -.157E+02   0.120E+02 0.599E+02 0.188E+02   0.149E+01 0.582E+00 -.317E+01   -.147E-02 0.287E-03 0.321E-03
   -.200E+03 -.129E+03 0.176E+03   0.201E+03 0.129E+03 -.178E+03   -.815E+00 -.209E+00 0.192E+01   -.415E-03 0.158E-03 -.458E-03
   -.137E+03 -.201E+03 0.201E+03   0.138E+03 0.203E+03 -.203E+03   -.100E+01 -.163E+01 0.152E+01   -.219E-03 -.316E-03 -.116E-03
   -.398E+02 -.929E+02 0.109E+03   0.403E+02 0.885E+02 -.113E+03   -.467E+00 0.423E+01 0.393E+01   -.782E-03 -.118E-03 0.136E-03
   -.574E+02 -.220E+02 0.684E+02   0.627E+02 0.307E+02 -.736E+02   -.556E+01 -.852E+01 0.516E+01   0.206E-02 0.342E-03 0.161E-02
   -.282E+03 0.368E+02 0.783E+02   0.278E+03 -.453E+02 -.729E+02   0.466E+01 0.814E+01 -.512E+01   -.380E-02 0.122E-02 -.104E-02
   -.250E+03 -.145E+02 -.122E+03   0.251E+03 0.145E+02 0.124E+03   -.430E+00 -.572E-01 -.146E+01   -.281E-03 -.670E-03 0.714E-03
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   -.607E+02 -.482E+02 0.133E+03   0.847E+02 0.429E+02 -.181E+03   -.241E+02 0.519E+01 0.477E+02   0.197E-02 -.250E-03 0.190E-02
   -.261E+03 -.407E+03 0.416E+03   0.289E+03 0.436E+03 -.450E+03   -.285E+02 -.295E+02 0.331E+02   0.253E-02 -.396E-02 -.915E-03
   0.157E+03 -.499E+03 -.138E+03   -.176E+03 0.530E+03 0.174E+03   0.195E+02 -.309E+02 -.364E+02   0.377E-02 -.102E-02 0.257E-02
   -.245E+03 -.113E+03 0.102E+02   0.281E+03 0.848E+02 0.196E+02   -.356E+02 0.283E+02 -.299E+02   0.361E-02 -.946E-03 -.217E-02
   0.126E+02 -.176E+03 0.835E+03   -.390E+02 0.204E+03 -.874E+03   0.266E+02 -.275E+02 0.393E+02   0.236E-03 -.532E-04 -.311E-02
   -.176E+03 0.212E+03 0.625E+03   0.211E+03 -.240E+03 -.652E+03   -.349E+02 0.289E+02 0.264E+02   -.312E-03 -.229E-04 -.199E-02
   0.123E+03 0.403E+03 0.319E+03   -.159E+03 -.435E+03 -.303E+03   0.357E+02 0.315E+02 -.163E+02   -.232E-02 -.828E-03 -.397E-02
 -----------------------------------------------------------------------------------------------
   0.150E+02 -.828E+00 -.858E+01   0.255E-10 -.415E-11 0.216E-11   -.151E+02 0.892E+00 0.849E+01   0.793E-01 -.589E-01 0.949E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.03858      3.16515      1.36723         0.093567     -0.232918     -0.238175
     12.83767      3.58160      2.67647        -0.113133     -0.042740      0.188376
     12.81032      4.93906      3.02752        -0.001091      0.103614     -0.044173
     13.06626      4.08308      0.33077         0.072671      0.331115     -0.040601
     12.95969      5.43887      0.65841         0.048186     -0.045986      0.082677
     12.92046      5.91690      1.99545        -0.004855      0.063287     -0.027181
     13.19031      1.68085      1.32542         0.065625      0.167539      0.087234
     12.64589      2.34487      3.50092         0.038655     -0.005422      0.249383
     13.03985      7.40382      2.23987        -0.114138      0.055868     -0.213365
     13.03061      8.00178      3.52570        -0.072554     -0.176889      0.025295
     13.29550      9.36739      3.65076        -0.019212     -0.018335      0.247269
     13.20803      8.28881      1.13535         0.045431      0.045905      0.093530
     13.42720      9.66876      1.27267        -0.025078     -0.312394     -0.133978
     13.50751     10.19340      2.55717        -0.053610      0.239052      0.009405
     13.71855     11.60031      3.03080        -0.048743     -0.422191      0.319423
     13.38440     10.19600      4.89235         0.106992      0.235548     -0.484064
     13.72379     12.67790      5.37622         0.047469      0.127170      0.097445
     13.43511     12.56617      6.74494         0.114174      0.054214      0.036098
     13.43798     13.68265      7.58785         0.106059      0.111626      0.264196
     14.07304     13.97043      4.95465        -0.009944     -0.074823      0.063224
     14.08826     15.08480      5.81423        -0.094724      0.073480      0.384604
     13.76698     15.00874      7.22280         0.171262     -0.073362     -0.057532
     13.85224     16.13370      8.28806         0.062464     -0.206875     -0.097671
     13.28915     16.10581      9.62231        -0.104031     -0.127933     -0.002554
     13.37224     17.22597     10.46188        -0.013676     -0.122210     -0.023785
     14.51281     17.36259      8.00323        -0.052841     -0.155775      0.111617
     14.49771     18.49432      8.82049         0.038454     -0.060965      0.119757
     13.92597     18.43293     10.07671        -0.084446     -0.110795      0.099965
     12.48875     14.99502     10.29585        -0.062696     -0.016391     -0.177574
     14.66180     16.30664      5.14330        -0.068309     -0.102081      0.116568
      9.73473      3.85647      4.77638        -0.014916     -0.254435      0.150233
      9.74153      4.78977      3.74806        -0.010000     -0.079006     -0.192603
      9.85300      6.16283      4.02141        -0.013552      0.083687      0.104631
      9.83750      4.24933      6.10316         0.029954      0.186955     -0.096270
      9.88535      5.61103      6.39001         0.130255     -0.011655      0.045048
      9.91569      6.60218      5.37766         0.035317      0.127108     -0.116581
      9.49021      2.48156      4.24152         0.275216      1.157606     -0.313897
      9.61353      4.01920      2.45741        -0.002086      0.052014     -0.093298
     10.00345      8.05494      5.76986         0.002320     -0.023537     -0.047233
     10.10859      9.09066      4.80294         0.022077     -0.179761     -0.187250
     10.21353     10.41253      5.22479         0.078951     -0.030601     -0.117103
      9.95420      8.44892      7.13600         0.084207      0.087587     -0.107180
     10.03087      9.79120      7.54602        -0.094557     -0.212471     -0.078125
     10.18396     10.76847      6.56930         0.031749      0.077020      0.157391
     10.27731     12.25131      6.68706        -0.081904      0.036396     -0.016132
     10.35095     11.65773      4.42422        -0.053506      0.116440     -0.522628
     10.78793     14.09457      4.96752        -0.009114      0.257811     -0.140765
     11.28813     14.41926      3.70065        -0.000523      0.139900     -0.023107
     11.69991     15.72355      3.40227        -0.098796      0.161846     -0.092739
     10.67712     15.17537      5.85326        -0.084864      0.145155      0.090648
     11.02790     16.50696      5.52903         0.004386      0.107067     -0.009576
     11.58394     16.86492      4.22867        -0.075009      0.105922      0.012726
     12.02434     18.27274      3.70725        -0.039046      0.035199     -0.096714
     12.57410     18.69276      2.42909         0.000164     -0.258027     -0.055863
     12.87675     20.04435      2.15379        -0.061331     -0.149347     -0.190939
     11.90513     19.38330      4.56566         0.095837     -0.167152      0.219612
     12.17632     20.72216      4.29594         0.109869      0.051199     -0.076327
     12.62849     21.10759      3.02910        -0.051742     -0.371436      0.121590
     12.97139     17.80891      1.23448         0.147897      0.442467      0.289980
     10.79764     17.43598      6.73123        -0.048620     -0.069192     -0.271196
     10.36024      7.09190     14.64695         0.221650     -0.279203     -0.124648
     10.25400      7.50912     15.97113         0.047458     -0.083237      0.282116
     10.27988      8.87140     16.32567         0.129600      0.181272      0.094030
     10.38195      8.03400     13.62596         0.035850      0.443768     -0.031098
     10.32836      9.39786     13.96681         0.053181      0.031554      0.085777
     10.34364      9.87750     15.30729         0.101934      0.047330      0.059877
     10.45198      5.59333     14.60427         0.396205     -0.982607     -0.858775
     10.08577      6.25775     16.80714        -0.053448     -0.184455      0.688967
     10.44785     11.39055     15.56905        -0.023166      0.076949     -0.046261
     10.45673     11.99338     16.86430        -0.020574     -0.051731      0.069442
     10.61179     13.38890     17.00446        -0.003853     -0.077398      0.207047
     10.55886     12.30405     14.47448        -0.019669      0.012113      0.053212
     10.69773     13.69718     14.62262         0.009338     -0.283048     -0.121734
     10.74234     14.23010     15.90684         0.028988      0.151788     -0.089014
     10.87838     15.65847     16.35578        -0.026762     -0.381609      0.283349
     10.63771     14.26445     18.23578         0.102155      0.083750     -0.299082
     10.69891     16.81295     18.65655         0.029238      0.177207      0.258143
     10.14087     16.75761     19.93991        -0.011032     -0.075626     -0.042229
      9.94904     17.91320     20.71093         0.024617      0.066540     -0.058791
     11.11717     18.10759     18.28056         0.034769      0.030055      0.006511
     11.00184     19.26505     19.09172        -0.051075     -0.036643      0.125860
     10.39409     19.22070     20.41762        -0.040591      0.140197      0.095501
     10.18069     20.36319      0.21986        -0.077293     -0.047678     -0.289375
      9.56463     20.30707      1.53822        -0.010452     -0.080751     -0.161015
      9.35598      0.19973      2.32452        -0.007456     -0.093758     -0.084656
     10.56369      0.43446     21.17344        -0.127865     -0.048534      0.047045
     10.25966      1.59206      0.65336         0.016270     -0.127113     -0.260877
      9.66856      1.50488      1.91593         0.034208     -0.137594      0.006286
      8.92615     19.10785      2.22808        -0.195357      0.085032     -0.040402
     11.63535     20.47959     18.39713        -0.024628     -0.293305      0.245845
      7.19351      7.64451     17.46004        -0.011159     -0.059292     -0.004421
      7.15988      8.58855     16.43464        -0.028783      0.108596     -0.121581
      7.17404      9.97115     16.70521        -0.023470     -0.011016      0.050373
      7.30231      8.04123     18.78684         0.010857      0.156202     -0.005671
      7.31499      9.41067     19.06862         0.150985      0.074642     -0.127126
      7.24902     10.41377     18.05891        -0.038308      0.007367      0.042311
      6.90373      6.28791     16.90176         0.115065      0.328315     -0.000332
      7.02833      7.82831     15.14034        -0.068308      0.091946     -0.222676
      7.22921     11.87450     18.46937         0.052123      0.036038     -0.107756
      7.27636     12.95870     17.53885         0.024783     -0.134994     -0.007901
      7.25048     14.27719     18.01539         0.052211     -0.023506     -0.213691
      7.20384     12.21983     19.84820         0.146808      0.145589     -0.085419
      7.23375     13.54700     20.30763        -0.065757     -0.379364     -0.046519
      7.21119     14.57250     19.37477         0.030099      0.091757      0.147768
      7.18358     16.04968     19.57405        -0.043188      0.217748      0.290008
      7.34276     15.57946     17.28382        -0.076082      0.157342     -0.417121
      7.55541     18.02414     18.00555         0.017453      0.310089     -0.153093
      8.27796     18.40989     16.87541         0.085712      0.202166     -0.124882
      8.61309     19.75088     16.66653         0.080265      0.012217     -0.167880
      7.16509     19.08101     18.85265         0.008932      0.220555     -0.160745
      7.42764     20.45556     18.57520         0.032154      0.071478      0.003909
      8.21191     20.87447     17.41192         0.045211     -0.053429     -0.056244
      8.71442      1.01648     16.91060         0.090626      0.028992      0.220371
      9.35102      1.39624     15.65600        -0.083392     -0.571119     -0.244865
      9.76843      2.70891     15.36575         0.069088     -0.073285      0.241037
      8.64410      2.12855     17.77168         0.205400      0.179434      0.060790
      9.14400      3.42163     17.51778        -0.115262     -0.055790      0.310662
      9.69308      3.77004     16.27308        -0.050654     -0.033725      0.256501
      9.78019      0.51322     14.45956        -0.096689     -0.022195     -0.116410
      6.78635      0.10797     19.63424         0.122405     -0.042471     -0.273286
      6.94723     10.87339      6.12272        -0.021639     -0.276263     -0.107642
      6.81501     11.31248      7.43178        -0.039515     -0.066737      0.239740
      6.87937     12.67545      7.76695         0.059493      0.179865      0.010253
      7.21535     11.77432      5.10188        -0.011063      0.300695     -0.054873
      7.30663     13.13581      5.42285        -0.042583     -0.062141      0.106974
      7.10992     13.64085      6.73934         0.044942      0.043694      0.081384
      6.93004      9.37682      6.07739        -0.060372      0.390250      0.599718
      6.74087     10.08028      8.29549         0.024166     -0.010812     -0.129189
      7.21124     15.13934      6.98156         0.016728      0.012997     -0.000695
      7.08274     15.77123      8.25344         0.055093     -0.119868      0.002769
      7.22292     17.17058      8.35234         0.036914     -0.034496      0.225430
      7.50004     15.99675      5.88053        -0.072260      0.048496      0.110886
      7.54545     17.39299      5.98252        -0.029701     -0.269497     -0.196376
      7.40102     17.97889      7.23731        -0.005270      0.105736      0.013179
      7.60432     19.41043      7.65435        -0.217947     -0.606583      0.556657
      7.37527     18.04851      9.56648        -0.050101      0.297233     -0.652081
      7.62554     20.58252      9.96619        -0.009452     -0.016119      0.086271
      7.16662     20.56150     11.29022         0.007430      0.197827      0.127292
      7.09877      0.47276     12.06240         0.008863      0.010886      0.004400
      8.11258      0.57918      9.56251         0.171774      0.220380      0.082622
      8.17368      1.72492     10.40437        -0.009628     -0.011346      0.233479
      7.60554      1.75279     11.74209         0.055827      0.065019      0.047318
      7.47478      2.93031     12.79044         0.210249     -0.150125     -0.479362
      6.89364      2.85836     14.11089        -0.223727     -0.083616      0.211526
      6.71257      4.01156     14.90640        -0.034030      0.011126      0.348110
      7.91561      4.25972     12.50949         0.227558     -0.036793     -0.144071
      7.71728      5.41008     13.30333        -0.059869     -0.243814     -0.221192
      7.10496      5.31946     14.55707         0.034342     -0.494941     -0.128325
      6.27232      1.63732     14.82464        -0.450656      0.298350      0.496380
      9.02045      2.82642      9.79497         0.096404      0.072191      0.208653
      4.16569     11.49045     10.69063         0.042142     -0.052182     -0.117827
      3.90501     12.35696      9.63665         0.018672      0.101155     -0.276301
      3.93707     13.74367      9.78483         0.081551      0.182680     -0.097676
      4.49659     12.00855     11.93506         0.143785      0.168083      0.067231
      4.53203     13.40325     12.10484         0.023545      0.032317     -0.143604
      4.26064     14.31551     11.04116         0.098773      0.019806      0.034463
      3.86068     10.09011     10.26873         0.037925      0.196868     -0.133291
      3.47420     11.54829      8.45889         0.169975     -0.231644      0.308935
      4.31051     15.81546     11.25290         0.155499     -0.078158     -0.097474
      4.04304     16.77265     10.22266         0.085433     -0.281535     -0.135165
      4.12745     18.14118     10.50899         0.020161      0.047670      0.000319
      4.72328     16.31698     12.51482         0.012267      0.110242     -0.211195
      4.79374     17.68651     12.78751        -0.017739     -0.255277      0.078834
      4.43238     18.58382     11.79088        -0.012520      0.142646     -0.023025
      4.31325     20.06319     11.82407        -0.039837     -0.068540      0.109117
      4.06977     19.36421      9.63606        -0.251183      0.025452     -1.447082
      4.35541      0.64739     10.08886         0.211038      0.137511     -0.126135
      4.78264      0.97453      8.80148         0.097057      0.284294     -0.081696
      5.23987      2.26623      8.51158         0.059763     -0.000310      0.057885
      4.26071      1.76068     10.94893        -0.015462     -0.135270      0.119440
      4.73460      3.07690     10.65772        -0.025016     -0.174298     -0.040583
      5.35077      3.38947      9.37717         0.037706      0.026396      0.039383
      5.96165      4.75207      8.83401         0.143775      0.201167      0.110539
      6.46740      5.05793      7.51319         0.027811     -0.261740      0.187443
      6.80122      6.37582      7.09457        -0.008276      0.023289      0.014061
      5.94269      5.93577      9.60853         0.010924     -0.419491      0.188928
      6.23811      7.23770      9.19881        -0.084540      0.151642      0.149115
      6.62881      7.53422      7.88900        -0.095047     -0.252662     -0.066448
      6.60260      4.00587      6.41856         0.332529      0.179117      0.013545
      4.35442      3.96444     11.85744        -0.072479      0.262809     -0.267554
      0.97384     14.22913      0.86889         0.046578     -0.252616      0.260632
      1.59025     14.66799      2.03999         0.062224     -0.134701      0.210905
      1.60887     16.04681      2.36190         0.089862      0.081394      0.234068
      0.54659     15.12738     21.16630        -0.246557      0.204433     -0.141127
      0.62910     16.48623      0.19128        -0.026840      0.012887      0.222709
      1.06859     17.00193      1.44142         0.019881      0.077326     -0.194853
      0.89230     12.74718      0.85181         0.017783      0.051839      0.080855
      2.20739     13.41294      2.68896        -0.763148     -0.025240     -0.953753
      0.96469     18.51774      1.63289         0.004362     -0.057355      0.063867
      1.32961     19.24031      2.80866        -0.123746     -0.140340     -0.107702
      1.16286     20.63826      2.82519         0.245500     -0.067064      0.303474
      0.47584     19.30215      0.54457        -0.066150      0.036516      0.000121
      0.28337     20.68690      0.58693         0.149404     -0.374490      0.188850
      0.61750      0.08621      1.76142        -0.042667      0.263338     -0.194460
      0.56890      1.55307      2.06359         0.267152     -0.697293      0.337360
      1.60993      0.39216      3.84374        -0.275801      0.017232     -0.594701
      1.37554      2.93482      4.05963         0.105500     -0.067721      0.141831
      1.96108      2.96161      5.32630        -0.075633      0.155763     -0.136678
      2.09139      4.16027      6.01809         0.028508      0.060695      0.141501
      0.90432      4.18122      3.61999        -0.026434      0.168484      0.083566
      1.01114      5.38617      4.34823         0.237308      0.147015      0.323203
      1.71115      5.46712      5.61812        -0.141069      0.076347     -0.197735
      2.06709      6.71243      6.48647         0.035911      0.143892     -0.311545
      2.54770      6.68195      7.82829        -0.043834     -0.430265      0.055405
      3.01095      7.78731      8.55140        -0.056792     -0.000345      0.178661
      2.04962      8.06836      6.03302        -0.099123     -0.200967     -0.154341
      2.52059      9.19127      6.74738        -0.118381     -0.078210     -0.423987
      3.04542      9.08146      8.04613        -0.008516     -0.091052      0.025678
      2.81984      5.42549      8.59986        -0.024055      0.254844     -0.081135
      0.26452      6.52844      3.67546        -0.134237     -0.174822      0.124311
      4.67549     14.08576      0.69540        -0.026863     -0.129909     -0.061911
      4.06561     14.98578     -0.17423        -0.140990      0.159412     -0.237264
      4.07639     16.38677      0.08404        -0.034932     -0.077540     -0.046090
      5.34897     14.55576      1.81669         0.048719      0.246928      0.116962
      5.35907     15.93146      2.08020        -0.213152     -0.121913     -0.132766
      4.70364     16.90039      1.26726         0.009742      0.062765      0.145696
      4.51878     12.67566      0.20495        -0.018369     -0.032743     -0.033044
      3.49367     14.14217     19.94498        -0.019037     -0.153059      0.064463
      4.74596     18.37403      1.74324         0.000146     -0.117550      0.051473
      4.14253     19.49200      1.09435        -0.003135      0.084828     -0.055724
      4.31807     20.80030      1.61189        -0.094885      0.089199     -0.252308
      5.46418     18.68055      2.93982        -0.151670      0.116577     -0.136941
      5.64710     19.97635      3.44447        -0.043522     -0.232525     -0.088230
      5.07347     21.03931      2.75408         0.027245      0.218015      0.040392
      5.16627      1.25763      3.02777        -0.654990     -0.419230     -0.750033
      3.84418      0.89216      1.10489         0.134758      0.125881      0.322590
      4.01421      3.35461      2.00744        -0.177876      0.286653     -0.411782
      3.08820      3.94415      1.10971         0.097520      0.171869     -0.143335
      2.82825      5.34145      1.07560         0.061664     -0.231581     -0.161675
      4.53781      4.29944      2.91819         0.073094     -0.026873     -0.121126
      4.26460      5.69221      2.85484        -0.333910      0.122604     -0.116861
      3.44534      6.35127      1.86895         0.047035      0.284713      0.108150
      3.14497      7.94787      1.75674         0.026709      0.102405     -0.030571
      2.11553      8.54983      0.94522        -0.227245     -0.052606      0.069812
      1.71191      9.90485      1.03693        -0.106300     -0.270476     -0.285275
      3.77010      9.00742      2.52270        -0.208078      0.145058     -0.310544
      3.31707     10.35383      2.66787         0.003246     -0.493016     -0.328981
      2.23196     10.85352      1.91789         0.333289      0.200490      0.160789
      1.17954      7.80352      0.01064        -0.670112     -0.164129      0.485549
      4.90364      6.47044      3.95550         0.060782     -0.090603      0.257818
     18.09637     17.33814     13.62386        -0.141744     -0.083589     -0.116493
     19.11627     17.81016     14.44169         0.127293     -0.021383      0.132188
     19.39131     19.17607     14.56872        -0.018126      0.161282      0.091376
     17.36085     18.22670     12.83934        -0.089946      0.226603      0.166064
     17.63064     19.60170     12.95216         0.043978     -0.068322      0.129947
     18.60848     20.12354     13.84757        -0.024194      0.093695      0.042439
     18.02395     15.84568     13.72933        -0.083483      0.045063      0.061281
     19.78722     16.62054     15.06410        -0.018517      0.017506      0.073893
     18.73273      0.36107     14.07053         0.021065      0.076264      0.035175
     19.71346      0.94347     14.93297        -0.102178     -0.210854      0.034271
     19.65241      2.31417     15.21850         0.116635      0.002509      0.159978
     17.79334      1.25664     13.48127         0.010895      0.010077      0.081196
     17.78745      2.64063     13.73450        -0.194321     -0.287023     -0.219913
     18.72040      3.15719     14.62382        -0.075099      0.186857     -0.102656
     18.93981      4.56910     15.08252         0.098028     -0.316842      0.025170
     20.43888      3.14269     16.19014         0.169485      0.062652      0.223627
     20.63376      5.66858     16.63970         0.020215      0.325616      0.266150
      0.68591      5.63270     17.12546        -0.220957      0.017710      0.147758
      1.30172      6.78583     17.60624         0.621069      0.231240      0.177402
     19.98910      6.91060     16.81932         0.058103     -0.236025      0.142341
     20.59053      8.04703     17.42438        -0.243116     -0.027838     -0.041869
      0.72394      8.05968     17.81432         0.163352      0.135466      0.070115
      1.59946      9.21089     18.43873         0.421711      0.027487     -0.089419
      2.96139      9.15278     18.96284        -0.482866     -0.548705     -0.180009
      3.61878     10.27565     19.53124         0.137059     -0.018993     -0.041801
      1.09965     10.52350     18.58873        -0.259868      0.165325     -0.035848
      1.76125     11.63725     19.13288         0.100226      0.232763     -0.054099
      3.06971     11.55678     19.63664        -0.554002      0.331369     -0.045069
      4.02841      8.02721     18.86315         0.264059      0.722359      0.401515
     19.54575      9.13607     17.68650         0.001016      0.071839      0.185487
      1.96383     18.19569     14.10922        -0.018599     -0.153341      0.200624
      1.23681     19.13183     13.38539        -0.121766      0.010860     -0.163551
      1.33160     20.50201     13.65397        -0.142383      0.035968     -0.026733
      2.85748     18.61928     15.08815         0.055080      0.318402      0.138312
      2.97082     19.99524     15.35177         0.038753      0.031677     -0.036807
      2.19358     20.97927     14.67511        -0.092071     -0.015673      0.283527
      1.63921     16.81946     13.62955         0.260565      0.133527      0.050830
      0.46091     18.37868     12.33951         0.257344     -0.051512      0.298431
      2.32795      1.19111     15.00862        -0.284584      0.116381     -0.070929
      1.70036      2.20662     14.22246        -0.002584     -0.308452     -0.084090
      1.95604      3.54815     14.50179         0.016750      0.274546     -0.089374
      3.11569      1.63892     16.10314        -0.111682      0.069571     -0.012524
      3.45402      2.99423     16.30033        -0.024732     -0.390549      0.021963
      2.89292      3.94242     15.45532         0.229082      0.217392      0.104898
      3.14314      5.42492     15.30121        -1.120428     -1.061531     -0.531731
      1.40483      4.78651     13.88567        -1.241756      0.126189     -1.136132
      1.63152      7.27735     14.41805        -0.202713      0.285449     -0.104085
      0.33636      7.55876     13.98264        -0.003509      0.181520     -0.036095
     21.03940      8.83337     14.11134        -0.022867      0.070607     -0.131374
      2.34721      8.40036     14.88400         0.211183      0.138832     -0.007396
      1.80305      9.71438     14.98104        -0.203899     -0.063069     -0.079401
      0.42126     10.00706     14.57595        -0.118415      0.117424      0.048849
     20.87591     11.36605     14.56221         0.152349     -0.027662     -0.032120
     19.50446     11.66988     14.14595         0.106662     -0.094094      0.078494
     18.97720     12.98383     14.20300        -0.086149     -0.205946     -0.142352
      0.28137     12.55277     14.94342        -0.023042     -0.106593      0.171348
     -0.25543     13.84139     15.04566        -0.097377      0.069381      0.082001
     19.69077     14.11280     14.64101        -0.049927     -0.425022     -0.010367
     18.45069     10.68620     13.61322         0.143554      0.278831      0.282156
      2.88613     10.69605     15.46398        -0.136410     -0.038966     -0.217451
     16.12414      0.41728      5.23781         0.036462     -0.094458     -0.203621
     16.87061      0.84707      6.32784         0.152606     -0.082625      0.216689
     16.93592      2.20465      6.69643        -0.013469      0.091483     -0.014837
     15.38325      1.32201      4.50350         0.077171      0.288299     -0.029520
     15.44453      2.67557      4.84926         0.066889     -0.079118      0.017737
     16.22157      3.17223      5.92004         0.055389      0.061357      0.076518
     16.38740     20.23912      4.93728         0.180997      0.120645      0.145612
     17.56923     20.88565      6.86501         0.081436      0.023608     -0.065171
     16.25431      4.67603      6.14590        -0.086881     -0.043904      0.063857
     17.03522      5.30433      7.15064        -0.116204     -0.157619      0.140184
     16.95735      6.69571      7.32910         0.040581     -0.005627      0.286132
     15.44941      5.53907      5.34585         0.091923     -0.014508      0.121284
     15.44221      6.93348      5.48882         0.017968     -0.287366     -0.097368
     16.21679      7.51187      6.48508        -0.029157      0.202355     -0.001292
     16.43303      8.95728      6.84112         0.275712     -0.656579      0.336237
     17.52626      7.57240      8.40800        -0.326672      0.145846     -0.574837
     17.74931     10.11185      8.71966        -0.018577     -0.004305      0.020102
     18.81507     10.01376      9.61447        -0.163121     -0.052490      0.070970
     19.39187     11.14924     10.17342        -0.004245      0.199707      0.191518
     17.28947     11.42327      8.50152        -0.045886      0.145889      0.020907
     17.82709     12.56519      9.14303         0.160309      0.235389      0.231027
     18.96290     12.48025     10.04518        -0.045806      0.019134      0.016691
     19.74663     13.57590     10.81902        -0.036145      0.002936     -0.139631
     21.03622     13.45911     11.48449        -0.177971      0.103516     -0.114313
      0.42462     14.58876     12.02089        -0.006986     -0.001455     -0.088786
     19.24617     14.90172     10.89470         0.090281      0.003383      0.017828
     19.93558     16.03222     11.37643        -0.093241     -0.026911     -0.108585
     21.19184     15.89727     11.97908        -0.075849     -0.274312     -0.025692
      0.76123     12.28683     11.56845         0.181691      0.153644      0.138306
     17.03907     13.83180      8.81248         0.245784     -0.255817     -0.000848
     20.38861      1.34736      6.11703         0.022532      0.001106      0.106830
     19.81396      2.39555      5.39492        -0.196543      0.050952     -0.088240
     19.80462      3.70031      5.85127        -0.067781      0.240661      0.115972
     20.91176      1.59396      7.37998        -0.113271      0.201389      0.106035
     20.83744      2.90156      7.88720        -0.093060     -0.002385      0.070280
     20.31397      3.99405      7.14248        -0.021939      0.229257      0.180127
     20.24142      0.08546      5.32879        -0.172900      0.384928      0.120362
     19.16275      1.84019      4.16548         0.474016     -0.191399      0.682968
     20.36427      5.42059      7.64527        -0.106436     -0.004111     -0.023881
     19.98124      6.47803      6.78605        -0.198561     -0.309703     -0.077398
     20.26405      7.80002      7.11373        -0.076915      0.079782     -0.004296
     -0.40218      5.79541      8.92210        -0.032231      0.139611     -0.021359
     -0.02815      7.12427      9.21122        -0.106555     -0.247260     -0.063395
     20.95876      8.11776      8.26980         0.030906      0.112349      0.075981
      0.02852      9.58067      8.23731        -1.527109     -1.532820     -1.548028
     19.97912      9.06315      6.36727         0.184937     -0.134596      0.378148
     20.43033     11.53040      6.79129        -0.163385     -0.116714     -0.120934
     19.52341     11.93771      5.80624        -0.036138      0.248980     -0.010347
     19.21827     13.28606      5.61961        -0.075376      0.215577     -0.103770
     21.05278     12.58371      7.48166         0.034040      0.215272      0.029501
     20.79211     13.95384      7.23931        -0.002326      0.109373     -0.108856
     19.80039     14.39895      6.27717         0.091282      0.004254      0.043815
     19.30082     15.83512      5.98541        -0.014360     -0.042150     -0.039482
     18.48238     16.29634      4.88361         0.072271     -0.223822      0.044866
     17.95728     17.60896      4.84512        -0.025423     -0.057403     -0.153009
     19.54495     16.88960      6.90492         0.070764     -0.113416      0.041696
     18.93647     18.14618      6.91962         0.050606     -0.019947      0.023784
     18.06589     18.54038      5.89633         0.164428     -0.180366     -0.096262
     17.92529     15.41648      3.75554         0.105536      0.039780     -0.025421
      0.49880     14.85780      8.00142        -0.159142     -0.003410     -0.240826
     12.69177      5.22427      4.08215        -0.001679     -0.065505     -0.270028
     13.15794      3.77153     20.54942         0.002217     -0.051475     -0.025275
     12.90871      6.15491     21.09579         0.105792     -0.165583      0.027848
     12.80812      7.41992      4.42797         0.053525      0.071327     -0.166109
     13.16788      7.88545      0.11986         0.068173      0.176219      0.149710
     13.53165     10.29419      0.38489         0.041931      0.052733      0.044806
     13.24119     13.47067      8.63363         0.050077     -0.104848     -0.169903
     13.27896     11.58286      7.17088        -0.200177     -0.046680      0.146131
     14.38067     14.12424      3.92945        -0.088786     -0.022363     -0.115083
     12.93687     17.15502     11.44785        -0.087042      0.008007      0.209218
     15.04237     17.50632      7.08013        -0.004311     -0.143309      0.043720
     14.90226     19.44676      8.47797         0.253200     -0.095352     -0.208607
      9.89471      6.88967      3.20251        -0.115512     -0.192149      0.062876
      9.78601      3.52527      6.90339         0.124906     -0.071860     -0.012818
      9.84540      5.89905      7.44726         0.200561     -0.067469     -0.253184
     10.10251      8.86040      3.72786         0.007565      0.134208      0.294743
      9.81799      7.69421      7.91713         0.064932      0.148519     -0.138728
      9.91587     10.05271      8.60070         0.146344      0.008912     -0.032981
     12.15615     15.83976      2.43019        -0.079982     -0.101576      0.031409
     11.36558     13.65210      2.93778         0.183498      0.032759     -0.097388
     10.29036     14.98071      6.84888         0.094135     -0.010163     -0.036472
     13.30720     20.27264      1.18587        -0.044971      0.023739     -0.012190
     11.59192     19.20659      5.57418         0.004288      0.141874      0.104765
     12.06421      0.19444      5.08601        -0.204995      0.033385      0.107281
     10.23750      9.14901     17.38957         0.015438     -0.096921     -0.257496
     10.41180      7.75095     12.57237         0.026305     -0.097361      0.045550
     10.26760     10.12014     13.14563         0.106960     -0.211507      0.108180
     10.29892     11.38730     17.76289         0.150429      0.062057     -0.063472
     10.52771     11.93207     13.44629         0.055405      0.035008      0.155076
     10.76766     14.34361     13.74325         0.021857     -0.077230      0.039571
      9.41635     17.74824      0.37378         0.050223     -0.136151     -0.056255
      9.88241     15.79040     20.36818        -0.199195      0.105954      0.021874
     11.54913     18.26199     17.30120         0.039176     -0.176979     -0.120306
      8.93103      0.05789      3.30878        -0.033808      0.114846      0.023700
     11.15952      0.60772     20.29100        -0.145269      0.103655     -0.056327
     10.46628      2.56609      0.21719         0.214166      0.016113     -0.015561
      7.09662     10.70805     15.89231         0.013570     -0.324696      0.114531
      7.26730      7.31339     19.59733         0.143304     -0.028420     -0.041010
      7.31025      9.70159     20.12432         0.150020     -0.096312     -0.216979
      7.37539     12.77245     16.45982        -0.124168      0.094622      0.252661
      7.14623     11.44104     20.61425         0.092756      0.171824     -0.164487
      7.24885     13.74984      0.11966         0.048423      0.021460     -0.080176
      9.27752     19.92141     15.83593         0.036292     -0.153563     -0.032393
      8.61760     17.67426     16.14884         0.087735      0.070369      0.055397
      6.64366     18.84356     19.77669         0.003681     -0.007916     -0.126576
     10.15159      2.86717     14.37011         0.202441      0.307962     -0.023408
      8.20339      1.98223     18.75042         0.057723      0.132293      0.069136
      9.10183      4.15507     18.32160        -0.161044     -0.031627     -0.063695
      6.79940     12.99538      8.81483        -0.007395     -0.168712     -0.227875
      7.42327     11.43947      4.08448        -0.117066     -0.052572     -0.022892
      7.61641     13.81508      4.62023        -0.251631     -0.188292      0.135848
      6.92283     15.17167      9.16146         0.064683      0.210380     -0.181782
      7.78558     15.55623      4.91662        -0.296037      0.229576      0.188905
      7.80210     17.98019      5.09824        -0.071133      0.029658      0.173768
      6.60031      0.33326     13.00725         0.061638     -0.100102     -0.216687
      6.83531     19.63396     11.75025         0.008821     -0.001377     -0.034228
      8.49249      0.70018      8.55558         0.038643     -0.143483     -0.083476
      6.25821      3.87920     15.88449         0.083666      0.064465     -0.124950
      8.52600      4.44289     11.62503        -0.375871     -0.055195      0.104155
      8.00930      6.38950     12.92599         0.199411     -0.115821     -0.109248
      3.63178     14.37694      8.94693         0.243513     -0.143229      0.057319
      4.64758     11.34934     12.78769         0.156276      0.030092     -0.149973
      4.71318     13.77601     13.12142         0.031012     -0.095951     -0.287724
      3.81142     16.44938      9.19931        -0.011768      0.086900      0.206704
      4.99684     15.62259     13.31383         0.000713      0.168223     -0.132905
      5.13692     18.01900     13.76558        -0.011571      0.106184      0.002839
      5.53259      2.36367      7.48537         0.051862     -0.103954      0.086872
      4.77189      0.22307      8.01526         0.115316      0.040576     -0.085284
      3.81440      1.60309     11.92568         0.108457     -0.054284     -0.013278
      7.18073      6.47475      6.08818        -0.059522      0.117952     -0.137543
      5.57416      5.86370     10.61481         0.170853      0.133373      0.041308
      6.10921      8.04615      9.91338        -0.028839     -0.115200      0.124276
      2.05538     16.39389      3.30685        -0.128944     -0.193154     -0.207056
      0.17577     14.80932     20.19155        -0.088684     -0.133560      0.061551
      0.32459     17.16908     20.65948        -0.061324     -0.172901      0.042899
      1.73370     18.72838      3.69240        -0.059003      0.152700     -0.168173
      0.23211     18.82780     20.85276        -0.009929      0.083645      0.127251
     -0.05997     -0.03319     20.96947        -0.144376      0.114855     -0.126642
      2.51456      3.98336      6.98276         0.021698      0.017423     -0.272236
      2.29502      2.04490      5.80011         0.085007      0.046892      0.053180
      0.38848      4.23926      2.68322        -0.252108     -0.114370     -0.415985
      3.30773      7.63012      9.58032         0.080175      0.144029     -0.109591
      1.65544      8.28046      5.03970         0.144272      0.045190      0.085553
      2.43616     10.17377      6.29301         0.030049     -0.002246     -0.190240
      3.59752     17.07734     20.63412         0.071809     -0.224217      0.116103
      5.85850     13.86804      2.49183        -0.023024     -0.047731      0.035296
      5.89402     16.25508      2.97351        -0.079941     -0.149878     -0.092486
      3.54030     19.35292      0.18969         0.133920      0.071498      0.062219
      5.97517     17.88076      3.47626        -0.135429      0.173204      0.032418
      6.28289     20.13376      4.31947        -0.169672      0.064214      0.021130
      2.02186      5.59722      0.40515         0.217219     -0.038595     -0.222403
      2.52873      3.31874      0.40868         0.083971      0.139836      0.086758
      5.16424      3.93085      3.72357         0.068622      0.130301      0.014044
      0.94151     10.21553      0.34602        -0.084962      0.076171      0.159949
      4.68472      8.83161      3.07135         0.044113     -0.077333     -0.102732
      3.85946     11.01766      3.33232         0.208213     -0.010173      0.118483
     20.21480     19.50215     15.21610        -0.254520     -0.092409     -0.004621
     16.57369     17.87542     12.16778         0.053023     -0.024893      0.000880
     17.04233     20.28657     12.32737         0.152534     -0.204613      0.153798
     20.52109      0.33367     15.36827        -0.358887      0.198225      0.031970
     17.01321      0.86789     12.81266         0.218493      0.109589      0.192203
     17.04204      3.28150     13.25217         0.106930     -0.032103      0.069182
      2.35442      6.65259     17.86309        -0.681440      0.013848     -0.190977
      1.23135      4.69711     17.16727         0.103331     -0.064852     -0.080379
     18.94978      6.99612     16.52804        -0.037303     -0.012684     -0.084943
      4.61257     10.08358     19.90405         0.178371      0.256840      0.123869
      0.08855     10.72016     18.26194        -0.019531      0.116500     -0.012142
      1.24504     12.60045     19.16672        -0.080622     -0.263561     -0.134909
      0.72812     21.19748     13.07225        -0.038757      0.006506     -0.096397
      3.49987     17.90184     15.60226        -0.102958      0.009596      0.105860
      3.74537     20.32016     16.05915        -0.264534     -0.114334     -0.079073
      1.04571      1.95312     13.37441         0.164580      0.109101      0.269257
      3.56058      0.91261     16.79523        -0.126788      0.157884     -0.182514
      4.18632      3.24943     17.07157        -0.211694      0.098860     -0.016809
     20.00803      8.87986     13.79570         0.022865      0.045004      0.024688
     21.03701      6.75416     13.52093        -0.413849      0.037922      0.054654
      3.39349      8.27025     15.16861        -0.299981     -0.052066      0.017491
     17.96526     13.13236     13.83301         0.083369     -0.005067      0.098036
      1.33568     12.49504     15.15351         0.018290      0.097725      0.170138
      0.36230     14.64288     15.43109         0.251227      0.008222     -0.060511
     17.58390      2.52121      7.52656        -0.232901     -0.178191     -0.123790
     14.79818      0.99028      3.65315         0.129530     -0.044550     -0.048427
     14.87512      3.37787      4.23889         0.179835     -0.173796      0.058956
     17.71941      4.70373      7.76259        -0.286265      0.211429      0.097040
     14.79455      5.11427      4.57927         0.209111      0.149428      0.145968
     14.81025      7.54004      4.84497         0.188051      0.014152     -0.009373
     20.24818     10.96462     10.79269        -0.128545     -0.174205      0.008262
     19.19479      9.03935      9.89786         0.080558     -0.035180      0.055198
     16.49061     11.58668      7.78870        -0.097182     -0.062292      0.008720
      1.39303     14.42276     12.46445         0.030935      0.172170      0.118797
     18.23546     15.08231     10.54641         0.116775      0.102941     -0.002292
     19.51927     17.02761     11.22043        -0.197659     -0.128474      0.112843
     19.39574      4.47084      5.19099        -0.040482     -0.111698      0.153881
      0.08503      0.78705      7.97004         0.027992     -0.020549      0.073007
     -0.03392      3.06913      8.89367        -0.042234      0.032587     -0.075186
     19.50073      6.25043      5.83414         0.001883      0.132940      0.310941
     -0.24765      5.03760      9.69655         0.039396      0.162518     -0.137380
      0.52382      7.33693     10.12872        -0.227720      0.087194      0.102093
     18.42283     13.45805      4.91218         0.057369     -0.084832      0.020059
     19.02757     11.19695      5.19346        -0.186972      0.000162     -0.075418
      0.52638     12.35257      8.23896         0.072774     -0.115512      0.004109
     17.32386     17.84795      4.00074        -0.011834      0.121292     -0.066430
     20.24551     16.73051      7.70949        -0.183189     -0.018390      0.080155
     19.15205     18.83184      7.73171         0.106824     -0.037135      0.122487
     13.87043     19.27502     10.76509         0.097183      0.160871     -0.074865
     19.13854     21.06096      3.51151         0.150737      0.172870      0.156656
     12.80559      1.21371      2.63383         0.128144      0.117439     -0.034263
     13.64947     11.55468      4.47281        -0.070141     -0.123017      0.299538
      9.51827      2.61945      2.80966         0.112299     -0.052421     -0.274317
     10.48045     12.74574      5.34427        -0.031923      0.005285      0.026822
     10.05882      5.12390     15.91607         0.283133      0.378048     -0.204329
     10.76966     15.64287     17.79361        -0.004709      0.035285     -0.005807
      7.01826      6.41587     15.47507        -0.094813      0.133731     -0.061514
      7.31069     16.63405     18.27421        -0.017928     -0.141848      0.057681
      6.74975      8.91557      7.42969         0.042994     -0.011177      0.042001
      7.56715     19.41802      9.10314        -0.077856     -0.129806     -0.024141
      3.50938     10.16128      8.86461        -0.155952      0.215503     -0.302557
      4.14957     20.52963     10.48422        -0.062090     -0.091295      0.184353
      1.76636     12.25375      1.87811         0.230810     -0.190257     -0.019776
      1.20251      1.70182      3.34298         0.033731      0.166836      0.153640
      3.70241     12.71789     20.29096        -0.094003      0.231626      0.083752
      4.33283      1.92266      2.03835        -0.098461     -0.053028      0.021041
     19.14545     15.44242     14.54782         0.103210      0.100894      0.006371
     20.02189      4.52336     16.01451         0.074931     -0.161734      0.138436
      0.66275     16.97121     12.60030        -0.308998      0.109076     -0.175619
      2.08297      5.91422     14.45555         0.151302      0.016153      0.018506
     17.37521     19.80694      5.89916        -0.093675      0.039025     -0.005812
     17.21651      8.94676      8.05079         0.061288      0.117966     -0.034008
     19.47117      0.46952      4.21430        -0.180967     -0.336307     -0.534770
     20.63395     10.13117      7.07090        -0.110164      0.224803      0.038946
     12.42522      2.28314      4.70509        -0.040197      0.141978     -0.226653
     13.63776      1.01790      0.40300        -0.180742      0.017065      0.207370
     13.24305      9.80189      6.03346        -0.078490     -0.111772      0.292121
     13.88907     12.59032      2.34753         0.074781      0.228876     -0.090345
      9.59259      4.45209      1.31403         0.026928     -0.069267      0.168145
      9.29605      1.46852      4.86584        -0.013734     -0.700421      0.399260
     10.31767     11.75885      3.19714         0.039656     -0.076849      0.451220
     10.14596     12.93022      7.69572         0.124029     -0.156348     -0.307287
      9.97706      6.17078     18.02965         0.141755      0.256339     -0.593524
     10.86015      4.88120     13.66945        -0.670390      1.070533      1.270409
     10.57195     13.90820     19.39539        -0.018249     -0.131064      0.319476
     11.04688     16.64263     15.65934        -0.019101      0.140203     -0.028299
      6.91642      8.28402     14.01054         0.145829     -0.214270      0.250215
      6.56430      5.29555     17.52326         0.257392     -0.061736     -0.048381
      7.43418     15.75066     16.07231        -0.097091     -0.064939      0.382961
      7.05754     16.66348     20.63290         0.141030     -0.296065     -0.655242
      6.73524     10.05162      9.51400         0.065156      0.020341      0.195251
      7.10387      8.68832      5.09396         0.001452     -0.311149     -0.148893
      7.38322     17.69668     10.72462         0.052843     -0.153549      0.649712
      7.77978     20.36789      6.93268        -0.049812      0.436764     -0.137708
      3.13895     11.94731      7.35932         0.003823      0.097115     -0.278277
      3.85870      9.08736     10.96442         0.035533      0.075242     -0.052506
      4.01709     19.38440      8.40177        -0.022074      0.034524      1.029534
      4.29906     20.76308     12.82109         0.090218      0.015269     -0.114206
      2.95633     13.34528      3.62815         0.437127     -0.113971      0.702019
      0.16667     12.09696      0.11200         0.064126      0.024576      0.176867
      2.23534      0.18714      4.86139         0.238108     -0.100479      0.302121
      0.08925      2.43544      1.38065        -0.068266      0.257232     -0.122299
      2.99160     14.52268     18.90432        -0.061188     -0.029319      0.092022
      5.02564     11.67386      0.70166        -0.196321      0.164027     -0.173093
      3.17404      1.12024      0.11596        -0.047677      0.048577     -0.103037
      5.82120      1.79198      3.89193         0.331332      0.363288      0.344752
     -0.54868     16.62924     15.86667        -0.029385      0.024101     -0.026386
     17.17095     15.11393     13.25057         0.234703      0.081031      0.123386
     -0.02279      2.74215     17.02577        -0.125172      0.183940     -0.148461
     18.33488      5.56788     14.73563        -0.057333      0.124526     -0.035626
     21.09399     18.82824     11.40107        -0.354352      0.118172     -0.248434
      2.13849     15.76576     14.00273        -0.123390      0.167219      0.089799
      0.49509      4.84485     13.03671         0.992227     -0.072693      0.979942
      4.06493      6.08303     15.70587         0.723936      0.671794      0.589831
     18.17952     20.79014      7.91569         0.063755     -0.042498      0.029587
     15.89852     19.57861      4.03214         0.265458      0.019913      0.194100
     18.08568      7.20595      9.41724         0.176519     -0.085400      0.616687
     16.07586      9.94031      6.22247         0.009294      0.223933     -0.025913
     18.47731      2.40094      3.33508        -0.234074      0.150235     -0.428583
     20.65932     20.21712      5.54433        -0.005036      0.012113      0.013827
     19.29548      9.17591      5.36945        -0.364150      0.141152     -0.320816
      0.70793     10.17949      9.00438         1.193909      1.290297      1.530439
     14.00573     17.49183      5.31337        -0.058159     -0.102977      0.188767
     15.92228     16.50735      5.64857        -0.027170     -0.018589      0.093598
     14.79214     16.17272      3.80773         0.020345     -0.004760     -0.200179
     11.93683     15.37607     11.49359        -0.046238     -0.013226     -0.013142
     11.43423     14.58901      9.53316        -0.001083     -0.129092     -0.032686
     13.23015     13.87918     10.61713         0.039487     -0.002154     -0.095369
     11.94783     17.93958      7.25774         0.052979      0.177999     -0.137045
     10.00309     18.52191      6.44997         0.019119      0.011073     -0.064141
     10.17765     16.81679      7.77385        -0.024340     -0.130019      0.126280
     13.21428     18.54604      0.11021         0.074440     -0.033630     -0.173513
     14.12348     17.13094      1.47682         0.144043     -0.300286      0.055801
     12.03414     16.89575      0.85110        -0.018972     -0.135611      0.010883
     10.85738      0.34909     18.35567         0.132781     -0.100565      0.196667
     12.81314     -0.42933     18.99735         0.065008      0.102400      0.105211
     11.92500     20.23760     17.09293         0.262889     -0.036352     -0.186643
      8.59823     19.35633      3.54283         0.016329     -0.043515     -0.184167
      7.74626     18.80938      1.59229         0.132995     -0.186584     -0.159548
      9.62739     17.93986      2.30333         0.087250      0.024711     -0.164184
      7.68153      0.82036     20.39517         0.026457      0.014396     -0.201871
      5.91757      1.01769     19.09495         0.107893      0.056866     -0.172965
      6.05690     20.66549     20.55168        -0.078003     -0.002028     -0.042550
      9.92487      1.22821     13.29653         0.013179     -0.021465      0.008492
     11.01745      0.00188     14.70093         0.348302     -0.394371      0.193884
      8.98050     20.72144     14.09090         0.348433      0.043676      0.033309
      8.41306      4.05744      9.64421         0.155202     -0.294650      0.072660
     10.15859      3.05545     10.52623        -0.073362      0.033804      0.218583
      9.45358      2.50508      8.55066         0.263405     -0.126490     -0.184496
      6.05083      1.88124     16.16728         0.130168      0.084349     -0.151272
      5.04387      1.33261     14.32370         0.383188      0.002270     -0.141440
      6.95463      0.45980     14.85185        -0.079762      0.110192     -0.170883
      5.09179      5.08403     12.13650        -0.201299     -0.120656     -0.175018
      3.04787      4.38517     11.76725        -0.026538     -0.159266     -0.002668
      4.39609      3.27404     13.01485         0.032588     -0.277870      0.291899
      7.18568      4.48879      5.29218         0.100422      0.041263     -0.219385
      7.38065      2.93494      6.77727        -0.111335      0.013417      0.182165
      5.39994      3.49445      6.00496        -0.087833     -0.009423      0.081738
     -0.56839      7.24261      4.48538         0.280989     -0.098512     -0.139833
      1.08868      7.47214      3.14716         0.037355     -0.014099      0.043874
     -0.54564      6.07067      2.68819        -0.215890     -0.016421     -0.004872
      3.24917      5.70165      9.84498         0.041507     -0.139742      0.212472
      1.83902      4.48892      8.78611        -0.185858      0.026870      0.017394
      3.81356      4.77081      7.94098         0.014328     -0.032058     -0.005782
      6.09273      6.97618      3.51333         0.174787      0.053327     -0.011006
      4.16652      7.49857      4.46604        -0.079766     -0.032237     -0.016563
      5.13593      5.72211      5.05964        -0.129520     -0.009043     -0.244177
      0.25096      8.62816     20.71368        -0.190346     -0.230264     -0.203661
      1.76368      7.12553     -1.02074         0.227331     -0.116227      0.426388
      0.42821      6.86330      0.66945         0.042003      0.025737     -0.186792
     19.40104      9.38905     19.02487         0.245781      0.088486      0.004710
     19.80454     10.34692     17.07846        -0.009250     -0.201878      0.069076
     18.29916      8.79229     17.25987        -0.095402      0.014199     -0.069827
      4.86799      8.10031     19.96207         0.016388      0.122041     -0.061608
      3.83971      6.69108     18.79472        -0.452548     -0.198084     -0.141259
      4.72748      8.36063     17.73145        -0.011467     -0.337512      0.125633
      3.38170     11.42996     14.41334        -0.151379      0.195713     -0.065268
      2.54387     11.61205     16.41515        -0.208913     -0.098422     -0.021423
      3.96747     10.06490     15.98798         0.207288     -0.085787     -0.002495
     17.33473     11.31718     13.15076        -0.167249     -0.012817     -0.060379
     18.86886      9.91337     12.56621         0.059857     -0.081817     -0.030687
     18.01968      9.83221     14.58244        -0.012541     -0.249147      0.228074
     16.22245     14.19800      9.85379         0.074330      0.047473      0.083685
     17.79153     14.93254      8.49661         0.055943     -0.098982      0.061518
     16.23360     13.64683      7.73828        -0.037203      0.055223     -0.165431
      1.76991     12.52097     12.46244         0.017753      0.071625      0.135208
      0.34125     11.04311     11.94418        -0.232765     -0.046939     -0.190847
      1.37683     12.15637     10.37124        -0.133708     -0.172774     -0.251289
      1.23230     15.63587      7.14944         0.023555      0.183961     -0.233901
     21.21496     15.71635      8.92782        -0.103903     -0.019156     -0.118942
      1.38666     14.14761      8.73037         0.376133     -0.081077     -0.000581
     17.28855     16.13434      2.79643         0.169802      0.105234     -0.201661
     18.85077     14.65504      3.08857         0.246865      0.192702      0.108338
     16.97673     14.51965      4.21929         0.107069      0.069813     -0.093219
 -----------------------------------------------------------------------------------
    total drift:                                0.003459      0.005576      0.012975


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4567.7759468674 eV

  energy  without entropy=    -4567.9262929345  energy(sigma->0) =    -4567.82606222
 
 d Force = 0.3044334E-01[-0.964E-03, 0.619E-01]  d Energy = 0.3057556E-01-0.132E-03
 d Force = 0.2136774E+03[ 0.214E+03, 0.214E+03]  d Ewald  = 0.2136775E+03-0.627E-04


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   52(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.2637974E+00  (-0.4780999E+02)
 number of electron    2497.9999964 magnetization 
 augmentation part      162.6867892 magnetization 

  free energy =  -0.456751215674E+04  energy without entropy=  -0.456766256131E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   52(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) :-0.1050393E+01  (-0.1263372E+01)
 number of electron    2497.9999965 magnetization 
 augmentation part      162.7343922 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8673
  0.8673

  free energy =  -0.456856255008E+04  energy without entropy=  -0.456871107702E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   52(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3704
 total energy-change (2. order) : 0.3867105E-01  (-0.2685291E-01)
 number of electron    2497.9999965 magnetization 
 augmentation part      162.7021931 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3986
  1.1032  1.6940

  free energy =  -0.456852387903E+04  energy without entropy=  -0.456867367690E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   52(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3520
 total energy-change (2. order) :-0.2132337E-02  (-0.2043061E-01)
 number of electron    2497.9999965 magnetization 
 augmentation part      162.6612181 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2811
  2.1789  0.8686  0.7959

  free energy =  -0.456852601136E+04  energy without entropy=  -0.456867514113E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   52(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3600
 total energy-change (2. order) :-0.1919150E-02  (-0.4329585E-02)
 number of electron    2497.9999965 magnetization 
 augmentation part      162.6657661 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2938
  2.3432  0.9706  0.9706  0.8909

  free energy =  -0.456852793051E+04  energy without entropy=  -0.456867778403E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   52(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) : 0.1842482E-02  (-0.2073490E-02)
 number of electron    2497.9999965 magnetization 
 augmentation part      162.6728702 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2371
  2.3952  1.0780  1.0780  0.8170  0.8170

  free energy =  -0.456852608803E+04  energy without entropy=  -0.456867544483E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   52(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3608
 total energy-change (2. order) :-0.1132244E-03  (-0.5182587E-03)
 number of electron    2497.9999965 magnetization 
 augmentation part      162.6740287 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2221
  2.4129  1.1974  1.1974  0.9367  0.9367  0.6516

  free energy =  -0.456852620126E+04  energy without entropy=  -0.456867604686E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   52(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3528
 total energy-change (2. order) : 0.9191537E-04  (-0.7351500E-04)
 number of electron    2497.9999965 magnetization 
 augmentation part      162.6768914 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2277
  2.4649  1.0753  1.0753  1.2578  1.2578  0.8632  0.5995

  free energy =  -0.456852610934E+04  energy without entropy=  -0.456867573415E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   52(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3624
 total energy-change (2. order) :-0.1922753E-04  (-0.6030046E-04)
 number of electron    2497.9999965 magnetization 
 augmentation part      162.6760233 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2330
  2.5106  1.0501  1.0501  1.3637  1.3637  0.9580  0.9580  0.6102

  free energy =  -0.456852612857E+04  energy without entropy=  -0.456867577396E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   52(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3504
 total energy-change (2. order) :-0.2538422E-04  (-0.8592163E-05)
 number of electron    2497.9999965 magnetization 
 augmentation part      162.6757547 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2349
  2.5906  1.7996  1.0694  1.0694  1.2655  0.9372  0.9372  0.8357  0.6095

  free energy =  -0.456852615395E+04  energy without entropy=  -0.456867581458E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   52(  11)  ---------------------------------------



 eigenvalue-minimisations  :  2472
 total energy-change (2. order) :-0.2454669E-04  (-0.2077507E-05)
 number of electron    2497.9999965 magnetization 
 augmentation part      162.6755640 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2502
  2.6260  1.9109  1.4451  1.0466  1.0466  0.9698  0.9698  0.9373  0.9373  0.6129

  free energy =  -0.456852617850E+04  energy without entropy=  -0.456867582892E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   52(  12)  ---------------------------------------



 eigenvalue-minimisations  :  2240
 total energy-change (2. order) :-0.2175118E-04  (-0.3703855E-06)
 number of electron    2497.9999965 magnetization 
 augmentation part      162.6755895 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2913
  2.6747  2.3176  1.4036  1.4036  1.0630  1.0630  0.9515  0.9515  0.8808  0.8808
  0.6145

  free energy =  -0.456852620025E+04  energy without entropy=  -0.456867585621E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   52(  13)  ---------------------------------------



 eigenvalue-minimisations  :  2240
 total energy-change (2. order) :-0.2236912E-04  (-0.3634736E-06)
 number of electron    2497.9999965 magnetization 
 augmentation part      162.6757020 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3100
  2.9503  2.4649  1.4660  1.4660  1.0439  1.0439  0.9960  0.9960  0.9482  0.9482
  0.6148  0.7816

  free energy =  -0.456852622262E+04  energy without entropy=  -0.456867587588E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   52(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2208
 total energy-change (2. order) :-0.1240816E-04  (-0.1727847E-06)
 number of electron    2497.9999965 magnetization 
 augmentation part      162.6756550 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3618
  3.4581  2.5419  1.5820  1.5820  1.0657  1.0657  1.1700  1.1700  0.9286  0.9286
  0.6153  0.8477  0.7472

  free energy =  -0.456852623503E+04  energy without entropy=  -0.456867588856E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   52(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2256
 total energy-change (2. order) :-0.8701842E-05  (-0.1476508E-06)
 number of electron    2497.9999965 magnetization 
 augmentation part      162.6756550 magnetization 

  free energy =  -0.456852624373E+04  energy without entropy=  -0.456867589798E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0311       2 -56.1343       3 -56.0674       4 -55.8144       5 -55.8247
       6 -56.2935       7 -58.1730       8 -58.2342       9 -56.2627      10 -55.9565
      11 -56.0090      12 -55.7999      13 -55.7906      14 -55.9750      15 -58.0907
      16 -58.0842      17 -56.3490      18 -54.9735      19 -54.9103      20 -55.1127
      21 -55.6566      22 -55.6576      23 -55.7275      24 -55.6308      25 -54.9584
      26 -54.8369      27 -54.9542      28 -54.9251      29 -60.4076      30 -60.3657
      31 -55.6487      32 -55.8238      33 -55.7364      34 -55.2997      35 -55.4927
      36 -55.9748      37 -57.7989      38 -58.0339      39 -56.0687      40 -55.7968
      41 -55.9046      42 -55.7027      43 -55.7274      44 -55.8838      45 -58.1027
      46 -58.1281      47 -56.4398      48 -55.1256      49 -54.9709      50 -55.2681
      51 -55.8993      52 -55.8717      53 -55.7610      54 -55.7166      55 -55.0812
      56 -54.8338      57 -54.9810      58 -56.3454      59 -60.3501      60 -60.6111
      61 -55.9524      62 -56.0101      63 -55.9183      64 -55.7501      65 -55.7434
      66 -56.2164      67 -58.1158      68 -58.1558      69 -56.2370      70 -55.9045
      71 -56.0136      72 -55.7300      73 -55.6777      74 -55.9217      75 -58.0767
      76 -58.1537      77 -56.4500      78 -55.1042      79 -54.9964      80 -55.2433
      81 -55.8565      82 -55.8746      83 -55.9217      84 -55.9314      85 -55.1956
      86 -55.0942      87 -55.2090      88 -56.4484      89 -60.7124      90 -60.4541
      91 -55.6916      92 -55.8166      93 -55.7368      94 -55.4692      95 -55.5384
      96 -56.0245      97 -57.8743      98 -57.9865      99 -56.1530     100 -55.9010
     101 -56.0165     102 -55.6763     103 -55.7182     104 -55.9326     105 -58.1253
     106 -58.2204     107 -56.4868     108 -55.1668     109 -54.9965     110 -55.4137
     111 -55.9894     112 -55.9069     113 -55.7767     114 -55.7791     115 -55.0744
     116 -54.9278     117 -55.0164     118 -56.3433     119 -60.4249     120 -60.6198
     121 -55.9109     122 -55.9739     123 -55.8558     124 -55.7310     125 -55.7495
     126 -56.1477     127 -58.0458     128 -58.1723     129 -56.0765     130 -55.7607
     131 -55.8477     132 -55.6375     133 -55.5655     134 -55.7852     135 -57.8907
     136 -58.0040     137 -56.4317     138 -55.1051     139 -54.9391     140 -55.2454
     141 -55.8543     142 -55.8604     143 -55.9293     144 -55.9115     145 -55.1689
     146 -55.1298     147 -55.2046     148 -56.4166     149 -60.5879     150 -60.5687
     151 -55.5843     152 -55.6237     153 -55.4829     154 -55.3138     155 -55.4211
     156 -55.8665     157 -57.9212     158 -57.8439     159 -55.9733     160 -55.7321
     161 -55.8872     162 -55.5181     163 -55.5764     164 -55.7954     165 -57.9621
     166 -58.0898     167 -56.4686     168 -55.0784     169 -54.8867     170 -55.3105
     171 -55.9419     172 -55.9185     173 -55.8250     174 -55.7393     175 -55.2952
     176 -54.7997     177 -55.0165     178 -56.4470     179 -60.4457     180 -60.6293
     181 -55.9376     182 -56.1107     183 -55.9562     184 -55.7062     185 -55.6948
     186 -56.2284     187 -58.0062     188 -58.2371     189 -56.2377     190 -55.8855
     191 -56.0120     192 -55.7407     193 -55.7130     194 -55.9445     195 -58.0854
     196 -58.1975     197 -56.5069     198 -55.0737     199 -54.9626     200 -55.2708
     201 -55.8913     202 -55.9508     203 -55.8971     204 -55.8224     205 -55.1190
     206 -55.2255     207 -55.1551     208 -56.4348     209 -60.7227     210 -60.5066
     211 -55.9418     212 -56.0838     213 -55.9537     214 -55.7273     215 -55.6917
     216 -56.2077     217 -58.0913     218 -58.2564     219 -56.1005     220 -55.7977
     221 -55.8958     222 -55.5797     223 -55.4810     224 -55.8026     225 -57.9503
     226 -58.1100     227 -56.5211     228 -55.1197     229 -55.0475     230 -55.2455
     231 -55.7713     232 -55.9276     233 -55.9556     234 -55.7061     235 -55.0146
     236 -55.1163     237 -55.1897     238 -56.4431     239 -60.3632     240 -60.3790
     241 -55.9408     242 -55.9950     243 -55.8839     244 -55.7417     245 -55.7648
     246 -56.1844     247 -58.0878     248 -58.1179     249 -56.1758     250 -55.8690
     251 -55.9562     252 -55.7342     253 -55.7033     254 -55.8773     255 -57.9483
     256 -58.0550     257 -56.3464     258 -55.0545     259 -54.8764     260 -55.1838
     261 -55.7949     262 -55.8044     263 -55.8689     264 -55.9521     265 -55.3260
     266 -54.9650     267 -55.1487     268 -56.4193     269 -60.6409     270 -60.3773
     271 -55.8756     272 -55.9560     273 -55.8008     274 -55.6986     275 -55.6658
     276 -56.0698     277 -58.1017     278 -58.1489     279 -55.9571     280 -55.7011
     281 -55.7792     282 -55.5380     283 -55.4958     284 -55.7885     285 -58.0078
     286 -58.0063     287 -56.3966     288 -54.9827     289 -54.9365     290 -55.2567
     291 -55.8839     292 -55.8622     293 -55.8411     294 -55.8062     295 -55.1576
     296 -54.9321     297 -55.0281     298 -56.3791     299 -60.4074     300 -60.5637
     301 -55.8453     302 -55.9870     303 -55.8940     304 -55.5776     305 -55.6126
     306 -56.1044     307 -58.0658     308 -58.2063     309 -56.1144     310 -55.8025
     311 -55.9292     312 -55.6612     313 -55.6173     314 -55.8567     315 -57.9890
     316 -58.0607     317 -56.4045     318 -55.0192     319 -54.8365     320 -55.2254
     321 -55.8008     322 -55.7539     323 -55.8853     324 -55.8947     325 -55.1810
     326 -55.1038     327 -55.2254     328 -56.4381     329 -60.6015     330 -60.4115
     331 -55.7738     332 -55.7860     333 -55.6903     334 -55.6105     335 -55.5867
     336 -56.0451     337 -57.9822     338 -57.9233     339 -55.9163     340 -55.5756
     341 -55.7309     342 -55.5583     343 -55.5389     344 -55.7517     345 -57.9402
     346 -57.9441     347 -56.4416     348 -54.9839     349 -54.9356     350 -55.2252
     351 -55.8122     352 -55.8314     353 -55.7901     354 -55.7589     355 -55.2117
     356 -54.8988     357 -55.0011     358 -56.4163     359 -60.4475     360 -60.5361
     361 -39.0894     362 -38.8174     363 -38.9542     364 -39.0339     365 -38.9634
     366 -38.7684     367 -38.0336     368 -38.1092     369 -38.1005     370 -38.1657
     371 -38.1464     372 -38.2058     373 -38.7474     374 -38.2951     375 -38.6668
     376 -38.7824     377 -38.8182     378 -38.7829     379 -38.1354     380 -38.1282
     381 -38.2845     382 -38.0812     383 -38.1855     384 -38.0129     385 -38.8631
     386 -38.8002     387 -38.8254     388 -38.8463     389 -38.8024     390 -38.5568
     391 -38.1911     392 -38.2116     393 -38.2249     394 -38.1682     395 -38.2643
     396 -38.3447     397 -38.6995     398 -38.4061     399 -38.6861     400 -38.8511
     401 -38.7241     402 -38.7810     403 -38.2369     404 -38.1850     405 -38.4275
     406 -38.1767     407 -38.1063     408 -37.9091     409 -38.7497     410 -38.7658
     411 -38.9302     412 -38.6953     413 -38.8375     414 -38.6041     415 -38.2092
     416 -38.2514     417 -38.1882     418 -38.1662     419 -38.1468     420 -38.3224
     421 -38.5081     422 -38.2717     423 -38.4965     424 -38.6762     425 -38.5824
     426 -38.6594     427 -38.1671     428 -38.0773     429 -38.3693     430 -38.2995
     431 -38.0260     432 -37.9651     433 -38.8083     434 -38.6977     435 -38.9218
     436 -38.7122     437 -38.9858     438 -38.7027     439 -38.4227     440 -38.1293
     441 -38.2413     442 -38.2197     443 -38.2459     444 -38.0860     445 -38.8473
     446 -38.7892     447 -38.8655     448 -38.7502     449 -38.7875     450 -38.3957
     451 -38.1051     452 -38.0054     453 -38.1325     454 -38.0203     455 -38.0830
     456 -38.1695     457 -38.8523     458 -38.6891     459 -38.8379     460 -38.8446
     461 -38.8335     462 -38.6826     463 -38.1143     464 -38.2696     465 -38.2585
     466 -38.4462     467 -38.0673     468 -38.2095     469 -38.8680     470 -38.7068
     471 -38.6880     472 -38.7376     473 -38.5464     474 -38.4485     475 -38.1286
     476 -38.0882     477 -38.1679     478 -38.0853     479 -38.1531     480 -38.0478
     481 -38.8202     482 -38.7508     483 -38.8370     484 -38.8099     485 -38.8768
     486 -38.7613     487 -38.1631     488 -38.1963     489 -38.2067     490 -38.2512
     491 -38.2080     492 -38.3726     493 -38.7759     494 -38.5440     495 -38.6571
     496 -38.6986     497 -38.5112     498 -38.5233     499 -38.1405     500 -37.9492
     501 -38.2158     502 -38.1816     503 -38.0770     504 -37.9912     505 -38.2696
     506 -41.0992     507 -71.6955     508 -71.5609     509 -71.4473     510 -71.5701
     511 -71.4544     512 -71.5404     513 -71.3754     514 -71.5986     515 -71.5925
     516 -71.4292     517 -71.3905     518 -71.5701     519 -71.5424     520 -71.6740
     521 -71.5324     522 -71.4594     523 -71.5344     524 -71.4372     525 -71.5842
     526 -71.4659     527 -71.5843     528 -71.5019     529 -71.2176     530 -71.5287
     531 -76.8970     532 -76.8697     533 -76.7642     534 -76.7730     535 -76.6973
     536 -76.4643     537 -76.8039     538 -76.8370     539 -76.9062     540 -76.8768
     541 -76.8293     542 -76.7505     543 -76.6547     544 -76.6100     545 -76.9094
     546 -76.8474     547 -76.8380     548 -76.7261     549 -76.6858     550 -76.5238
     551 -76.5384     552 -76.6316     553 -76.6744     554 -76.6056     555 -76.8775
     556 -76.6924     557 -76.8761     558 -76.7424     559 -76.9438     560 -76.7858
     561 -76.7829     562 -76.5938     563 -76.7737     564 -76.7950     565 -76.7188
     566 -76.6155     567 -76.8289     568 -76.8247     569 -76.6698     570 -76.6660
     571 -76.8919     572 -76.7738     573 -76.7328     574 -76.6519     575 -76.5597
     576 -76.6350     577 -76.5785     578 -76.4915     579 -82.3926     580 -82.2836
     581 -82.2857     582 -82.3919     583 -82.2548     584 -82.2717     585 -82.4567
     586 -82.4975     587 -82.6262     588 -82.2239     589 -82.1177     590 -82.3804
     591 -82.4353     592 -82.2426     593 -82.3351     594 -82.7036     595 -82.4688
     596 -82.7477     597 -82.4325     598 -82.4781     599 -82.6467     600 -82.2069
     601 -82.2577     602 -82.4744     603 -82.5070     604 -82.3495     605 -82.6513
     606 -82.4132     607 -82.4231     608 -82.5777     609 -82.6397     610 -82.3583
     611 -82.5347     612 -82.4626     613 -82.2591     614 -82.2888     615 -82.4230
     616 -82.5466     617 -82.3751     618 -82.8296     619 -82.6943     620 -82.7819
     621 -82.2452     622 -82.4223     623 -82.3677     624 -82.3538     625 -82.4008
     626 -82.1362     627 -82.1940     628 -82.2689     629 -82.2418     630 -82.3673
     631 -82.7344     632 -82.3473     633 -82.4223     634 -82.4519     635 -82.5403
     636 -82.3040     637 -82.3308     638 -82.2169     639 -82.1997     640 -82.3535
     641 -82.3773     642 -82.4438     643 -82.5943     644 -82.4288     645 -82.3784
     646 -82.4318     647 -82.5956     648 -82.3781     649 -82.3126     650 -82.2497
 
 
 
 E-fermi :  -1.4515     XC(G=0):  -6.4870     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.3097      2.00000
      2     -29.0158      2.00000
      3     -28.9816      2.00000
      4     -28.9765      2.00000
      5     -28.9699      2.00000
      6     -28.9290      2.00000
      7     -28.9112      2.00000
      8     -28.8867      2.00000
      9     -28.8701      2.00000
     10     -28.8591      2.00000
     11     -28.8423      2.00000
     12     -28.8332      2.00000
     13     -28.8191      2.00000
     14     -28.7441      2.00000
     15     -28.7436      2.00000
     16     -28.7400      2.00000
     17     -28.6940      2.00000
     18     -28.6766      2.00000
     19     -28.6311      2.00000
     20     -28.6269      2.00000
     21     -28.6143      2.00000
     22     -28.6019      2.00000
     23     -28.5916      2.00000
     24     -28.5109      2.00000
     25     -27.1045      2.00000
     26     -26.7613      2.00000
     27     -26.7202      2.00000
     28     -26.6870      2.00000
     29     -26.6662      2.00000
     30     -26.6358      2.00000
     31     -26.6303      2.00000
     32     -26.6158      2.00000
     33     -26.6069      2.00000
     34     -26.6057      2.00000
     35     -26.5991      2.00000
     36     -26.5843      2.00000
     37     -26.5749      2.00000
     38     -26.5415      2.00000
     39     -26.5255      2.00000
     40     -26.5206      2.00000
     41     -26.5152      2.00000
     42     -26.5023      2.00000
     43     -26.4831      2.00000
     44     -26.4608      2.00000
     45     -26.4605      2.00000
     46     -26.4543      2.00000
     47     -26.4527      2.00000
     48     -26.4504      2.00000
     49     -26.4449      2.00000
     50     -26.4375      2.00000
     51     -26.4331      2.00000
     52     -26.4186      2.00000
     53     -26.4185      2.00000
     54     -26.4079      2.00000
     55     -26.4068      2.00000
     56     -26.4018      2.00000
     57     -26.4017      2.00000
     58     -26.3779      2.00000
     59     -26.3590      2.00000
     60     -26.3433      2.00000
     61     -26.3304      2.00000
     62     -26.3302      2.00000
     63     -26.3012      2.00000
     64     -26.2903      2.00000
     65     -26.2837      2.00000
     66     -26.2628      2.00000
     67     -26.2497      2.00000
     68     -26.2465      2.00000
     69     -26.2428      2.00000
     70     -26.2339      2.00000
     71     -26.2214      2.00000
     72     -26.2100      2.00000
     73     -23.3597      2.00000
     74     -23.3131      2.00000
     75     -23.2786      2.00000
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   1221      -2.3242      2.00000
   1222      -2.3195      2.00000
   1223      -2.3149      2.00000
   1224      -2.3084      2.00000
   1225      -2.2993      2.00000
   1226      -2.2832      2.00000
   1227      -2.2778      2.00000
   1228      -2.2568      2.00000
   1229      -2.2480      2.00000
   1230      -2.2374      2.00000
   1231      -2.2240      2.00000
   1232      -2.2206      2.00000
   1233      -2.2153      2.00000
   1234      -2.2028      2.00000
   1235      -2.1929      2.00000
   1236      -2.1837      2.00000
   1237      -2.1465      2.00001
   1238      -1.8037      2.03195
   1239      -1.7119      2.06927
   1240      -1.7031      2.07059
   1241      -1.6888      2.07044
   1242      -1.6629      2.06015
   1243      -1.6573      2.05577
   1244      -1.6270      2.01454
   1245      -1.6175      1.99464
   1246      -1.6052      1.96305
   1247      -1.5994      1.94572
   1248      -1.5794      1.87397
   1249      -1.5737      1.84990
   1250       0.1415     -0.00000
   1251       0.1920     -0.00000
   1252       0.2153     -0.00000
   1253       0.2427     -0.00000
   1254       0.2550     -0.00000
   1255       0.2885     -0.00000
   1256       0.3050     -0.00000
   1257       0.3312     -0.00000
   1258       0.3466     -0.00000
   1259       0.3677     -0.00000
   1260       0.3758     -0.00000
   1261       0.4884     -0.00000
   1262       0.6248     -0.00000
   1263       0.6491     -0.00000
   1264       0.7075     -0.00000
   1265       0.7310     -0.00000
   1266       0.7383     -0.00000
   1267       0.7489     -0.00000
   1268       0.7559     -0.00000
   1269       0.7967     -0.00000
   1270       0.8014     -0.00000
   1271       0.8159     -0.00000
   1272       0.8179     -0.00000
   1273       0.8452     -0.00000
   1274       0.8944     -0.00000
   1275       0.9034     -0.00000
   1276       0.9143     -0.00000
   1277       0.9419     -0.00000
   1278       0.9504     -0.00000
   1279       0.9644     -0.00000
   1280       1.0128     -0.00000
   1281       1.0302     -0.00000
   1282       1.0502     -0.00000
   1283       1.1041     -0.00000
   1284       1.1160     -0.00000
   1285       1.1491     -0.00000
   1286       1.2172     -0.00000
   1287       1.2393     -0.00000
   1288       1.3157     -0.00000
   1289       1.3384     -0.00000
   1290       1.3730     -0.00000
   1291       1.4391     -0.00000
   1292       1.5234     -0.00000
   1293       1.5416     -0.00000
   1294       1.5608     -0.00000
   1295       1.5833     -0.00000
   1296       1.6278     -0.00000
   1297       1.6578     -0.00000
   1298       1.8232     -0.00000
   1299       1.8553     -0.00000
   1300       1.8736     -0.00000
   1301       1.8957     -0.00000
   1302       1.9175     -0.00000
   1303       1.9329     -0.00000
   1304       1.9847     -0.00000
   1305       2.0153     -0.00000
   1306       2.0298     -0.00000
   1307       2.0625     -0.00000
   1308       2.0804     -0.00000
   1309       2.0949     -0.00000
   1310       2.1144     -0.00000
   1311       2.1334     -0.00000
   1312       2.1426     -0.00000
   1313       2.1668     -0.00000
   1314       2.1670     -0.00000
   1315       2.1933     -0.00000
   1316       2.2149     -0.00000
   1317       2.2216     -0.00000
   1318       2.2298     -0.00000
   1319       2.2643     -0.00000
   1320       2.3110     -0.00000
   1321       2.3311     -0.00000
   1322       2.3945     -0.00000
   1323       2.4291     -0.00000
   1324       2.4370     -0.00000
   1325       2.4768     -0.00000
   1326       2.5085     -0.00000
   1327       2.5147     -0.00000
   1328       2.5235     -0.00000
   1329       2.5374     -0.00000
   1330       2.5623     -0.00000
   1331       2.5637     -0.00000
   1332       2.5826     -0.00000
   1333       2.5920     -0.00000
   1334       2.6026     -0.00000
   1335       2.6181     -0.00000
   1336       2.6388     -0.00000
   1337       2.6561     -0.00000
   1338       2.6649     -0.00000
   1339       2.6701     -0.00000
   1340       2.6833     -0.00000
   1341       2.6881     -0.00000
   1342       2.7061     -0.00000
   1343       2.7486     -0.00000
   1344       2.7684     -0.00000
   1345       2.7971     -0.00000
   1346       2.9409     -0.00000
   1347       2.9805     -0.00000
   1348       2.9989     -0.00000
   1349       3.0216     -0.00000
   1350       3.0257     -0.00000
   1351       3.0588     -0.00000
   1352       3.0618     -0.00000
   1353       3.1017     -0.00000
   1354       3.1237     -0.00000
   1355       3.1311     -0.00000
   1356       3.1487     -0.00000
   1357       3.1635     -0.00000
   1358       3.1891     -0.00000
   1359       3.2197     -0.00000
   1360       3.2285     -0.00000
   1361       3.2845     -0.00000
   1362       3.3818     -0.00000
   1363       3.4560     -0.00000
   1364       3.5015     -0.00000
   1365       3.5857     -0.00000
   1366       3.6363     -0.00000
   1367       3.6609     -0.00000
   1368       3.7041     -0.00000
   1369       3.7515     -0.00000
   1370       3.7551     -0.00000
   1371       3.7934     -0.00000
   1372       3.8172     -0.00000
   1373       3.8555     -0.00000
   1374       3.8600     -0.00000
   1375       3.8676     -0.00000
   1376       3.8975      0.00000
   1377       3.9096      0.00000
   1378       3.9115      0.00000
   1379       3.9316      0.00000
   1380       3.9576      0.00000
   1381       3.9652      0.00000
   1382       3.9710      0.00000
   1383       3.9872      0.00000
   1384       4.0058      0.00000
   1385       4.0202      0.00000
   1386       4.0283      0.00000
   1387       4.0429      0.00000
   1388       4.0455      0.00000
   1389       4.0560      0.00000
   1390       4.0616      0.00000
   1391       4.0926      0.00000
   1392       4.0983      0.00000
   1393       4.1118      0.00000
   1394       4.1173      0.00000
   1395       4.1225      0.00000
   1396       4.1314      0.00000
   1397       4.1538      0.00000
   1398       4.1652      0.00000
   1399       4.1775      0.00000
   1400       4.1855      0.00000
   1401       4.1982      0.00000
   1402       4.2149      0.00000
   1403       4.2379      0.00000
   1404       4.2464      0.00000
   1405       4.2731      0.00000
   1406       4.2804      0.00000
   1407       4.3039      0.00000
   1408       4.3083      0.00000
   1409       4.3116      0.00000
   1410       4.3329      0.00000
   1411       4.3482      0.00000
   1412       4.3508      0.00000
   1413       4.3658      0.00000
   1414       4.3808      0.00000
   1415       4.3982      0.00000
   1416       4.4132      0.00000
   1417       4.4225      0.00000
   1418       4.4301      0.00000
   1419       4.4469      0.00000
   1420       4.4692      0.00000
   1421       4.4752      0.00000
   1422       4.4829      0.00000
   1423       4.5021      0.00000
   1424       4.5082      0.00000
   1425       4.5426      0.00000
   1426       4.5576      0.00000
   1427       4.5774      0.00000
   1428       4.5850      0.00000
   1429       4.5870      0.00000
   1430       4.6360      0.00000
   1431       4.6447      0.00000
   1432       4.6749      0.00000
   1433       4.6848      0.00000
   1434       4.7032      0.00000
   1435       4.7605      0.00000
   1436       4.7830      0.00000
   1437       4.8099      0.00000
   1438       4.8235      0.00000
   1439       4.8429      0.00000
   1440       4.8498      0.00000
   1441       4.8691      0.00000
   1442       4.8828      0.00000
   1443       4.9006      0.00000
   1444       4.9320      0.00000
   1445       4.9480      0.00000
   1446       4.9594      0.00000
   1447       4.9622      0.00000
   1448       4.9834      0.00000
   1449       4.9982      0.00000
   1450       5.0087      0.00000
   1451       5.0198      0.00000
   1452       5.0481      0.00000
   1453       5.0618      0.00000
   1454       5.0821      0.00000
   1455       5.0898      0.00000
   1456       5.1064      0.00000
   1457       5.1170      0.00000
   1458       5.1385      0.00000
   1459       5.1431      0.00000
   1460       5.1494      0.00000
   1461       5.1856      0.00000
   1462       5.2138      0.00000
   1463       5.2163      0.00000
   1464       5.2275      0.00000
   1465       5.2392      0.00000
   1466       5.2531      0.00000
   1467       5.2662      0.00000
   1468       5.2750      0.00000
   1469       5.2884      0.00000
   1470       5.3014      0.00000
   1471       5.3063      0.00000
   1472       5.3244      0.00000
   1473       5.3379      0.00000
   1474       5.3501      0.00000
   1475       5.3543      0.00000
   1476       5.3626      0.00000
   1477       5.3661      0.00000
   1478       5.3773      0.00000
   1479       5.3911      0.00000
   1480       5.4024      0.00000
   1481       5.4086      0.00000
   1482       5.4117      0.00000
   1483       5.4222      0.00000
   1484       5.4352      0.00000
   1485       5.4407      0.00000
   1486       5.4512      0.00000
   1487       5.4569      0.00000
   1488       5.4700      0.00000
   1489       5.4747      0.00000
   1490       5.4895      0.00000
   1491       5.5025      0.00000
   1492       5.5075      0.00000
   1493       5.5169      0.00000
   1494       5.5202      0.00000
   1495       5.5254      0.00000
   1496       5.5336      0.00000
   1497       5.5419      0.00000
   1498       5.5537      0.00000
   1499       5.5566      0.00000
   1500       5.5716      0.00000
   1501       5.5879      0.00000
   1502       5.5923      0.00000
   1503       5.6046      0.00000
   1504       5.6116      0.00000
   1505       5.6223      0.00000
   1506       5.6418      0.00000
   1507       5.6470      0.00000
   1508       5.6519      0.00000
   1509       5.6656      0.00000
   1510       5.6782      0.00000
   1511       5.6834      0.00000
   1512       5.6895      0.00000
   1513       5.7013      0.00000
   1514       5.7048      0.00000
   1515       5.7138      0.00000
   1516       5.7256      0.00000
   1517       5.7363      0.00000
   1518       5.7463      0.00000
   1519       5.7673      0.00000
   1520       5.7711      0.00000
   1521       5.7879      0.00000
   1522       5.7932      0.00000
   1523       5.8038      0.00000
   1524       5.8103      0.00000
   1525       5.8190      0.00000
   1526       5.8246      0.00000
   1527       5.8405      0.00000
   1528       5.8485      0.00000
   1529       5.8562      0.00000
   1530       5.8689      0.00000
   1531       5.8841      0.00000
   1532       5.8953      0.00000
   1533       5.8999      0.00000
   1534       5.9094      0.00000
   1535       5.9201      0.00000
   1536       5.9265      0.00000
   1537       5.9329      0.00000
   1538       5.9404      0.00000
   1539       5.9537      0.00000
   1540       5.9568      0.00000
   1541       5.9635      0.00000
   1542       5.9843      0.00000
   1543       5.9873      0.00000
   1544       6.0018      0.00000
   1545       6.0107      0.00000
   1546       6.0179      0.00000
   1547       6.0238      0.00000
   1548       6.0239      0.00000
   1549       6.0303      0.00000
   1550       6.0373      0.00000
   1551       6.0577      0.00000
   1552       6.0590      0.00000
   1553       6.0727      0.00000
   1554       6.0807      0.00000
   1555       6.0942      0.00000
   1556       6.0985      0.00000
   1557       6.1184      0.00000
   1558       6.1211      0.00000
   1559       6.1360      0.00000
   1560       6.1404      0.00000
   1561       6.1519      0.00000
   1562       6.1625      0.00000
   1563       6.1718      0.00000
   1564       6.1755      0.00000
   1565       6.1779      0.00000
   1566       6.1907      0.00000
   1567       6.1939      0.00000
   1568       6.2047      0.00000
   1569       6.2119      0.00000
   1570       6.2131      0.00000
   1571       6.2247      0.00000
   1572       6.2350      0.00000
   1573       6.2454      0.00000
   1574       6.2494      0.00000
   1575       6.2625      0.00000
   1576       6.2795      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.087  13.412  -0.001   0.001  -0.000   0.001  -0.004   0.000
 13.412  17.830  -0.001   0.002  -0.000   0.002  -0.006   0.000
 -0.001  -0.001  -4.232   0.003   0.001   8.278  -0.004  -0.001
  0.001   0.002   0.003  -4.233   0.001  -0.004   8.278  -0.001
 -0.000  -0.000   0.001   0.001  -4.225  -0.001  -0.001   8.269
  0.001   0.002   8.278  -0.004  -0.001 -18.321   0.007   0.002
 -0.004  -0.006  -0.004   8.278  -0.001   0.007 -18.318  -0.000
  0.000   0.000  -0.001  -0.001   8.269   0.002  -0.000 -18.311
 total augmentation occupancy for first ion, spin component:           1
  8.454  -3.806   0.185   0.130  -0.037   0.023   0.024  -0.006
 -3.806   1.787  -0.096  -0.089   0.021  -0.010  -0.015   0.003
  0.185  -0.096   1.775  -0.065  -0.040   0.167  -0.012  -0.008
  0.130  -0.089  -0.065   1.904  -0.080  -0.012   0.178  -0.011
 -0.037   0.021  -0.040  -0.080   1.223  -0.008  -0.011   0.080
  0.023  -0.010   0.167  -0.012  -0.008   0.017  -0.002  -0.001
  0.024  -0.015  -0.012   0.178  -0.011  -0.002   0.018  -0.001
 -0.006   0.003  -0.008  -0.011   0.080  -0.001  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -51526.48636 96602.61188 25527.17357-11427.07707  6722.62800 20967.77576
  Hartree  4033.21051123494.25573 63590.64945-11790.35342  4701.33219 15333.58923
  E(xc)  -10733.95806-10587.28853-10630.16113     2.65327     7.98198    32.18501
  Local   14066.55587************************ 23205.18761-11451.36668-35726.06135
  n-local -5845.28978 -5975.13863 -6031.78440     4.16781    17.11421   -62.02714
  augment  1494.44583  1535.59054  1487.61608     5.12991    12.72591    -2.66323
  Kinetic 45512.46201 43211.11827 43671.35364   -21.92645   -67.33451  -554.63591
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -91.2012619   -424.9007199   -146.6803351    -22.2183509    -56.9188900    -11.8376279
  in kB      -15.2085404    -70.8555961    -24.4601200     -3.7050879     -9.4916805     -1.9740192
  external PRESSURE =     -36.8414188 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.240E+03 -.115E+03 0.250E+03   0.240E+03 0.115E+03 -.251E+03   -.567E-01 -.535E+00 0.137E+01   -.969E-04 0.181E-03 -.884E-04
   -.198E+03 -.139E+03 0.595E+02   0.198E+03 0.141E+03 -.591E+02   0.237E+00 -.123E+01 -.381E+00   -.770E-04 0.885E-04 -.615E-04
   -.169E+03 -.127E+03 0.271E+01   0.169E+03 0.129E+03 -.111E+01   0.295E+00 -.110E+01 -.176E+01   -.982E-04 0.507E-04 -.733E-04
   -.223E+03 -.102E+03 0.343E+03   0.224E+03 0.102E+03 -.345E+03   -.206E+00 0.133E+00 0.248E+01   -.848E-04 0.214E-03 -.281E-03
   -.172E+03 -.149E+03 0.305E+03   0.172E+03 0.150E+03 -.306E+03   0.190E+00 -.745E+00 0.110E+01   -.109E-03 0.154E-03 -.337E-03
   -.156E+03 -.112E+03 0.168E+03   0.155E+03 0.112E+03 -.168E+03   0.834E-01 -.406E-01 0.646E-01   -.138E-03 0.656E-04 -.193E-03
   -.243E+03 -.133E+03 0.183E+03   0.242E+03 0.138E+03 -.184E+03   0.616E+00 -.434E+01 0.929E+00   -.113E-03 0.161E-03 0.577E-04
   -.184E+03 -.118E+03 0.333E+02   0.184E+03 0.122E+03 -.352E+02   -.432E+00 -.413E+01 0.194E+01   -.645E-04 0.651E-04 0.580E-04
   -.114E+03 0.659E+01 0.196E+03   0.114E+03 -.665E+01 -.196E+03   -.367E-01 -.277E-01 0.610E-01   -.155E-03 0.113E-04 -.176E-03
   -.864E+02 0.889E+02 0.631E+02   0.859E+02 -.904E+02 -.619E+02   0.446E+00 0.137E+01 -.125E+01   -.110E-03 -.187E-05 -.562E-04
   -.966E+02 0.106E+03 0.139E+03   0.963E+02 -.107E+03 -.139E+03   0.240E+00 0.989E+00 0.101E+00   -.719E-04 -.205E-06 -.521E-04
   -.112E+03 0.324E+00 0.334E+03   0.112E+03 -.627E+00 -.335E+03   -.353E-01 0.306E+00 0.120E+01   -.165E-03 -.577E-04 -.264E-03
   -.117E+03 -.383E+02 0.365E+03   0.117E+03 0.392E+02 -.367E+03   -.746E-01 -.998E+00 0.232E+01   -.111E-03 -.818E-04 -.148E-03
   -.123E+03 0.256E+02 0.307E+03   0.124E+03 -.255E+02 -.308E+03   -.251E+00 -.151E-01 0.155E+01   -.734E-04 -.540E-04 -.812E-04
   -.116E+03 0.116E+03 0.272E+03   0.115E+03 -.120E+03 -.274E+03   0.476E+00 0.389E+01 0.227E+01   -.269E-04 -.552E-04 -.289E-04
   -.917E+02 0.118E+03 0.106E+03   0.916E+02 -.121E+03 -.109E+03   0.127E+00 0.297E+01 0.341E+01   -.385E-04 -.382E-04 -.331E-04
   -.800E+02 0.116E+03 0.575E+02   0.804E+02 -.111E+03 -.532E+02   -.285E+00 -.455E+01 -.423E+01   0.262E-04 0.274E-04 -.509E-04
   -.135E+02 0.205E+03 -.152E+03   0.130E+02 -.207E+03 0.154E+03   0.690E+00 0.196E+01 -.217E+01   0.341E-04 0.311E-04 -.354E-04
   0.230E+02 0.151E+03 -.202E+03   -.231E+02 -.151E+03 0.204E+03   0.255E+00 0.324E+00 -.165E+01   0.514E-04 0.929E-04 0.253E-04
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 -----------------------------------------------------------------------------------------------
   0.107E+02 -.302E+01 -.151E+02   -.385E-10 0.205E-11 -.341E-11   -.106E+02 0.301E+01 0.151E+02   0.611E-02 0.294E-02 0.316E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.04535      3.16391      1.36104         0.075665     -0.091592     -0.084544
     12.83998      3.57939      2.67420        -0.037334     -0.027485     -0.003879
     12.81697      4.93469      3.02695        -0.004218      0.234086     -0.152632
     13.07525      4.08640      0.32585         0.063458      0.163965      0.009411
     12.96330      5.43999      0.65578         0.063182      0.027281      0.058022
     12.92690      5.91583      1.99386        -0.031922      0.061826     -0.007040
     13.20284      1.67963      1.32569        -0.205383      0.570066      0.460311
     12.65133      2.34522      3.49916         0.059788      0.059932     -0.020631
     13.04482      7.40536      2.23762        -0.127478     -0.090013     -0.048804
     13.03930      7.99852      3.52792        -0.081895     -0.151417     -0.074523
     13.29977      9.36554      3.65266        -0.001458      0.019788      0.081768
     13.20933      8.28808      1.13471         0.055801      0.002890      0.037612
     13.43089      9.66393      1.26890        -0.028069     -0.083981      0.101970
     13.50871     10.19360      2.55505        -0.032165      0.079942      0.115043
     13.72532     11.59922      3.03790        -0.153966     -0.650727      0.279317
     13.38651     10.19439      4.89116         0.013246      0.045441     -0.000928
     13.72251     12.67502      5.38735         0.071796     -0.032261     -0.025759
     13.43771     12.55819      6.75813         0.138243      0.115495     -0.137026
     13.44309     13.67421      7.59609         0.118662      0.210920      0.413754
     14.07601     13.96318      4.96357        -0.015264      0.002243      0.101896
     14.09269     15.07806      5.82497        -0.059928      0.135314      0.257257
     13.77429     15.00312      7.22991         0.052640     -0.247191      0.023332
     13.85437     16.12253      8.29300         0.080084     -0.094582      0.021629
     13.28692     16.09722      9.62909        -0.036445     -0.016049     -0.087249
     13.36942     17.21976     10.46718         0.001109     -0.062191     -0.021909
     14.52151     17.34894      8.01070         0.008725     -0.130314      0.072945
     14.50937     18.48274      8.82853         0.039444     -0.044848     -0.001982
     13.92616     18.42708     10.08064        -0.056557     -0.081752      0.074367
     12.48547     14.99235     10.30111        -0.064344     -0.167901     -0.235162
     14.66302     16.30278      5.15416         0.198032     -0.171250     -0.095289
      9.74050      3.85190      4.77737         0.011057      0.100250     -0.117132
      9.74054      4.78673      3.74108        -0.022847     -0.070689      0.081794
      9.84558      6.16190      4.01297         0.000895      0.022302      0.109944
      9.85214      4.25293      6.10149         0.005186     -0.021438     -0.046730
      9.90070      5.61363      6.38511         0.126232      0.023276     -0.091151
      9.91938      6.60238      5.36848         0.015801      0.198307     -0.043851
      9.49558      2.48966      4.23520         0.086785     -0.033093      0.287261
      9.60773      4.01716      2.45356         0.034398      0.000377      0.064383
     10.00402      8.05844      5.76181         0.009518     -0.059537     -0.081509
     10.10064      9.09671      4.79514         0.064381     -0.173265     -0.067634
     10.21401     10.41792      5.22158        -0.003485     -0.078665      0.012519
      9.96197      8.44981      7.12946         0.036006      0.009131     -0.127863
     10.03270      9.78885      7.54325        -0.027680     -0.043566     -0.198783
     10.18607     10.77293      6.57050         0.014241     -0.141295     -0.027967
     10.27567     12.25538      6.68838         0.061020     -0.536191     -0.858955
     10.34291     11.66250      4.42116         0.033960      0.154334     -0.183723
     10.78300     14.10303      4.96322         0.012863      0.024414     -0.103237
     11.28454     14.42328      3.69502        -0.032163      0.080459      0.009550
     11.69415     15.72592      3.39627        -0.082648      0.286081     -0.064912
     10.67316     15.18258      5.84876        -0.120379      0.057525     -0.034744
     11.02245     16.51067      5.52484         0.073323      0.212736     -0.073940
     11.58003     16.86947      4.22405        -0.070281      0.035823     -0.005587
     12.02215     18.27644      3.70465        -0.003528      0.039120     -0.086817
     12.57714     18.69359      2.42315        -0.066301     -0.195226      0.214277
     12.88238     20.04397      2.15516        -0.071088     -0.058099     -0.107117
     11.90708     19.38573      4.56774         0.070783     -0.209476      0.202835
     12.18113     20.72506      4.29884         0.057967      0.009882     -0.026924
     12.63170     21.10747      3.03280         0.028305     -0.249238     -0.031925
     12.98042     17.81459      1.23843         0.209119      0.127330      0.110256
     10.79606     17.43571      6.72739         0.047853      0.122427     -0.294397
     10.36954      7.09080     14.65006         0.219257     -0.388869     -0.020323
     10.26483      7.50574     15.97709         0.063597     -0.231614      0.238052
     10.29443      8.86289     16.33654         0.127570      0.339705     -0.218482
     10.38924      8.03121     13.62991         0.053788      0.558771      0.047434
     10.33390      9.39841     13.97212         0.077414     -0.089557      0.079347
     10.35444      9.87228     15.31381         0.064593      0.098777      0.123803
     10.47023      5.57759     14.59765        -0.632415      1.283672      1.507052
     10.09742      6.25001     16.82434         0.229547      0.193995     -1.725244
     10.45451     11.39021     15.57517        -0.014743     -0.070596      0.007640
     10.46934     11.99233     16.87306        -0.016325     -0.096264     -0.070454
     10.62144     13.38734     17.00606         0.005241      0.006425      0.161299
     10.56034     12.29845     14.47719         0.001895     -0.027394      0.046950
     10.70167     13.68965     14.62124        -0.014386     -0.167980     -0.051653
     10.74595     14.22849     15.90363         0.051820      0.044499      0.037344
     10.88556     15.65585     16.35509        -0.091290     -0.439929      0.379900
     10.65035     14.26253     18.23499         0.056729      0.131541     -0.079208
     10.70180     16.81175     18.66200         0.063700      0.124644      0.069442
     10.13246     16.75586     19.93982         0.067620     -0.052422     -0.132366
      9.94617     17.91067     20.70764        -0.063747      0.177349      0.176853
     11.13155     18.10277     18.28696        -0.005122      0.003443      0.060806
     11.01195     19.26136     19.09354        -0.064749      0.006737      0.259954
     10.39647     19.22016     20.42047        -0.081482     -0.002610     -0.013731
     10.17340     20.35757      0.21893         0.002186      0.158683     -0.263944
      9.55145     20.30828      1.53482         0.079562     -0.133650     -0.151949
      9.34499      0.19984      2.32337         0.007356     -0.054991     -0.193462
     10.56172      0.43148     21.17345        -0.136875     -0.249337     -0.068751
     10.26293      1.58771      0.64960        -0.028196     -0.149954     -0.066524
      9.67119      1.50135      1.91401        -0.023005     -0.074784      0.042967
      8.91675     19.10987      2.22245        -0.392591     -0.021423     -0.230481
     11.65663     20.46985     18.40350         0.178438     -0.197167      0.009406
      7.20610      7.64461     17.45403        -0.024280     -0.001035      0.026283
      7.16500      8.58764     16.42580        -0.101633      0.035095     -0.020166
      7.16432      9.96776     16.69544         0.025808      0.106881      0.132241
      7.31752      8.04420     18.78140         0.031015      0.036183     -0.080918
      7.33258      9.41321     19.05826         0.112769      0.101304     -0.022250
      7.25151     10.41383     18.05038        -0.036618      0.096830     -0.061084
      6.91315      6.28823     16.89682         0.249914      0.622194     -0.191675
      7.02545      7.82494     15.13412         0.059835     -0.071907      0.121247
      7.23007     11.87869     18.46144         0.030688     -0.078212     -0.074924
      7.26325     12.96321     17.53156         0.060792     -0.188493      0.021939
      7.24319     14.28005     18.00916         0.017836      0.013477     -0.011664
      7.21552     12.22106     19.84263         0.111175      0.018198     -0.144022
      7.24188     13.54368     20.30395        -0.033221     -0.163372     -0.113104
      7.21327     14.57327     19.37318         0.031144      0.001586     -0.012620
      7.18359     16.05356     19.57492         0.085119     -0.559882     -0.840043
      7.32826     15.58289     17.27688        -0.074431      0.054942      0.170890
      7.54833     18.03173     17.99730         0.086193     -0.003769     -0.129860
      8.27797     18.41154     16.86886         0.012386      0.084467     -0.064911
      8.61343     19.74928     16.65933         0.127770      0.132026     -0.218106
      7.15790     19.08893     18.84152        -0.023632      0.093675     -0.234199
      7.42562     20.45909     18.57047         0.163223      0.163367     -0.178773
      8.21838     20.87587     17.40465        -0.003770     -0.076693      0.068316
      8.72830      1.01497     16.91079         0.058582      0.105246      0.125277
      9.36807      1.39914     15.65769        -0.025334     -0.738950     -0.304253
      9.79576      2.71070     15.37412        -0.047554     -0.155782      0.200325
      8.64812      2.12983     17.76877         0.183447      0.089374      0.099075
      9.14668      3.42103     17.52141        -0.047218      0.123547      0.281573
      9.70391      3.77100     16.27741         0.011138      0.064362      0.339991
      9.79970      0.50525     14.45673         0.078100      0.590015      0.155888
      6.77775      0.10672     19.62375         0.200416      0.166811     -0.181287
      6.94485     10.86977      6.12301        -0.018896     -0.037033      0.042718
      6.81520     11.30844      7.43640        -0.008160     -0.041771      0.035903
      6.87746     12.67283      7.77124         0.058287      0.139846     -0.047205
      7.20687     11.77776      5.10205        -0.043769      0.114303      0.043116
      7.29549     13.13639      5.42659        -0.038845      0.027449      0.102850
      7.10245     13.63986      6.74478         0.060934      0.155397      0.053980
      6.93008      9.37766      6.08625        -0.008312      0.089735      0.128769
      6.74875     10.07399      8.29564         0.014428      0.096347     -0.023045
      7.20389     15.14580      6.98639        -0.006211     -0.211673      0.066996
      7.08461     15.77387      8.26175         0.060580     -0.143000     -0.099767
      7.22632     17.17089      8.36037         0.023754      0.062611      0.096159
      7.48420     16.00081      5.88449        -0.049230     -0.029955      0.023095
      7.53294     17.39402      5.98443        -0.040330     -0.132579     -0.029076
      7.39688     17.97983      7.24141        -0.032981      0.013386      0.103273
      7.59170     19.40726      7.66680        -0.082618     -0.017155     -0.045837
      7.38094     18.05263      9.56853        -0.033603      0.047190     -0.132272
      7.62633     20.58689      9.97298        -0.001994     -0.071756     -0.039078
      7.16754     20.56419     11.29629         0.060274      0.081524      0.015272
      7.11147      0.47331     12.06551        -0.032897      0.142149      0.127130
      8.12517      0.58138      9.56730         0.101632     -0.092626      0.053243
      8.19076      1.72211     10.40269        -0.104832      0.167002      0.490467
      7.61765      1.75344     11.74415         0.029039     -0.075644     -0.002453
      7.47650      2.92096     12.79343         0.284842      0.137074     -0.502678
      6.88791      2.85831     14.10805        -0.224720     -0.119224      0.428543
      6.70714      4.01163     14.91085         0.062370     -0.188068      0.020000
      7.91973      4.25607     12.51169         0.198366     -0.311332     -0.313037
      7.72152      5.40234     13.29897        -0.068373     -0.202601     -0.068514
      7.10840      5.30702     14.55573         0.079302      0.044618     -0.104446
      6.26979      1.64044     14.83482        -0.122210      0.261462      0.177054
      9.04374      2.81732      9.79805         0.235705      0.159714      0.133338
      4.17737     11.49109     10.68176         0.041123      0.070074     -0.110896
      3.91693     12.35780      9.62424         0.035285     -0.022936     -0.128361
      3.94867     13.74413      9.77265         0.097753      0.156954     -0.061963
      4.50978     12.01276     11.92759         0.086433      0.086485     -0.092286
      4.54097     13.40705     12.09393         0.046119     -0.032708     -0.085851
      4.27059     14.31499     11.03074         0.073897      0.142162     -0.054546
      3.86278     10.09213     10.26170         0.038483      0.377889     -0.236607
      3.48144     11.54278      8.45230         0.095629      0.011807      0.094230
      4.31794     15.81740     11.24167         0.141116     -0.124301     -0.141446
      4.04310     16.77333     10.21190         0.124348     -0.100811      0.045895
      4.12888     18.14465     10.50128         0.013574     -0.099811      0.040401
      4.73323     16.31972     12.50182         0.009700      0.113089     -0.150896
      4.79576     17.68716     12.78173        -0.053307     -0.139851     -0.050375
      4.43442     18.58782     11.78538        -0.043261     -0.087616     -0.139115
      4.31083     20.06042     11.81291        -0.012433      0.339963      0.572105
      4.06139     19.36711      9.62728        -0.212803     -0.045036     -0.959478
      4.35467      0.65110     10.08092         0.136153     -0.052305      0.081008
      4.78424      0.97911      8.79616         0.071599      0.126709     -0.070054
      5.24719      2.26728      8.51549         0.117355      0.160168     -0.015993
      4.25529      1.75837     10.94763        -0.016528     -0.255195     -0.010156
      4.73327      3.06721     10.66581         0.130210      0.117767     -0.233200
      5.35789      3.38712      9.38908         0.004772     -0.051982     -0.077118
      5.96723      4.75188      8.84497         0.159627      0.057426      0.031303
      6.47215      5.05341      7.51774        -0.037497     -0.229515      0.381239
      6.80639      6.36823      7.10166        -0.015945      0.128627      0.082166
      5.95114      5.93236      9.62006        -0.051895     -0.437566      0.324104
      6.24208      7.23276      9.20918        -0.045988      0.336398      0.048217
      6.63189      7.52732      7.89673        -0.072096     -0.180298     -0.101490
      6.61191      4.00579      6.42518         0.212351     -0.035533      0.023360
      4.34407      3.95627     11.85641        -0.044206      0.170711     -0.085017
      0.96564     14.21955      0.87881        -0.071005     -0.040079      0.083271
      1.58570     14.66055      2.04745         0.004822     -0.148928      0.119782
      1.60654     16.03983      2.37028        -0.062448      0.104472     -0.116511
      0.53104     15.11849     21.17186        -0.141053      0.053082     -0.014552
      0.62201     16.47712      0.19723        -0.119237      0.107760      0.040658
      1.06527     16.99805      1.44163         0.099204     -0.056223      0.082974
      0.88081     12.74173      0.86761        -0.090296     -0.263737     -0.159424
      2.19614     13.40235      2.68736        -0.207252     -0.077382     -0.213264
      0.96018     18.51560      1.63600         0.031367     -0.178360     -0.014683
      1.32649     19.23679      2.81022        -0.076499     -0.077233     -0.030341
      1.16799     20.63571      2.82657         0.060360      0.092626      0.014895
      0.47300     19.29741      0.54532        -0.024577     -0.084318      0.082411
      0.28334     20.67761      0.58773         0.027483     -0.037578      0.060805
      0.61720      0.08568      1.75825         0.087300     -0.018809      0.020174
      0.56671      1.54610      2.06728         0.048769     -0.170864     -0.031105
      1.61097      0.39603      3.83606        -0.022513     -0.140323     -0.156765
      1.37577      2.93446      4.06336        -0.085354      0.062253     -0.102406
      1.96115      2.96561      5.32778        -0.044144      0.128541     -0.069737
      2.08988      4.16753      6.01536         0.003188      0.054360      0.083457
      0.89215      4.18006      3.61988         0.010513      0.063069      0.052649
      0.99871      5.38593      4.34877         0.159558      0.120117      0.100103
      1.70243      5.47280      5.61417        -0.085671     -0.058595     -0.186051
      2.06192      6.71031      6.47667         0.126371      0.189891      0.063331
      2.54489      6.67675      7.82813        -0.119961     -0.123776     -0.130855
      2.99782      7.78903      8.55186        -0.088448      0.094872     -0.104825
      2.04401      8.06688      6.02538        -0.084169     -0.371188     -0.172817
      2.51597      9.18805      6.73266        -0.026491      0.083925     -0.168415
      3.03707      9.08343      8.03775        -0.040592     -0.161468      0.014607
      2.82361      5.43161      8.60718        -0.366567      0.050286     -0.152367
      0.24772      6.52183      3.66703        -0.284273     -0.132481      0.255208
      4.67131     14.08413      0.69335        -0.005304     -0.105092     -0.036805
      4.06435     14.98402     -0.18025        -0.075489      0.030746     -0.192680
      4.07841     16.38293      0.07231         0.036261      0.045938      0.144789
      5.34259     14.55505      1.81765         0.026247      0.218985      0.085738
      5.34824     15.93094      2.08016        -0.122750     -0.001447     -0.062195
      4.70001     16.90257      1.26261        -0.024910     -0.044979      0.063306
      4.51383     12.67244      0.20290        -0.155048      0.374935     -0.102466
      3.49446     14.13497     19.93865         0.175039     -0.144911      0.631053
      4.74371     18.37806      1.73826        -0.060595     -0.145889     -0.050216
      4.14492     19.49813      1.08286         0.041890     -0.054377     -0.007600
      4.32157     20.80250      1.60083        -0.038912      0.170091     -0.106791
      5.45558     18.68141      2.93773        -0.155863      0.027299     -0.164731
      5.63914     19.97390      3.44274        -0.068104     -0.153828     -0.115747
      5.07297     21.03768      2.74871        -0.052482      0.277836     -0.056418
      5.16127      1.25534      3.01515        -0.093854      0.098877      0.005215
      3.85015      0.89714      1.10088         0.063400      0.104292      0.187311
      4.01622      3.36551      1.99605        -0.081784      0.088591     -0.315356
      3.09183      3.95231      1.09570         0.180421      0.201642      0.001592
      2.83851      5.34829      1.06460         0.007243     -0.160457     -0.215736
      4.54461      4.30467      2.90711         0.125054     -0.068577     -0.086425
      4.26828      5.69390      2.84748        -0.210709      0.390745      0.118453
      3.45440      6.35361      1.86652        -0.197529      0.323309     -0.166751
      3.14132      7.94779      1.74429         0.002025      0.062181     -0.000340
      2.09715      8.54869      0.94263        -0.182927     -0.223582      0.148170
      1.69293      9.89488      1.04163         0.085770      0.136604      0.015084
      3.77194      9.00367      2.50199        -0.060497      0.082365     -0.288629
      3.32671     10.35091      2.65155        -0.038299     -0.452936     -0.197539
      2.22996     10.84812      1.92133         0.208580     -0.031150     -0.054862
      1.14454      7.81297      0.02049        -0.382975     -0.483956      0.268807
      4.90375      6.47815      3.95627         0.132553     -0.268429      0.114329
     18.08617     17.33879     13.63251        -0.012767     -0.006036     -0.005939
     19.10921     17.80846     14.45442        -0.018649     -0.013982      0.064132
     19.38228     19.17348     14.58719        -0.017320      0.274408      0.065939
     17.35384     18.23148     12.84804         0.000887      0.101560      0.201952
     17.63286     19.60377     12.95941        -0.003942     -0.033850      0.122735
     18.60325     20.12379     13.86183         0.045428      0.155320      0.073059
     18.01324     15.84393     13.74011         0.557893      0.677255      0.360186
     19.77729     16.62072     15.07756         0.126225     -0.067943      0.129011
     18.72888      0.36739     14.08360         0.024043     -0.167155      0.023612
     19.70537      0.94603     14.95200        -0.142928     -0.219027     -0.015885
     19.64707      2.31575     15.23369        -0.033928      0.067552      0.005019
     17.79337      1.25737     13.48517         0.003271     -0.021444      0.078399
     17.78472      2.63868     13.73452        -0.012493     -0.178418     -0.069447
     18.71554      3.15774     14.62725         0.031199      0.036076     -0.027007
     18.93793      4.56780     15.08431         0.218421     -0.480661      0.099934
     20.43404      3.14568     16.20015        -0.000945      0.157815      0.112873
     20.63517      5.67771     16.65047        -0.278457     -0.109040     -0.014212
      0.68313      5.63598     17.13184        -0.062128      0.076300      0.183887
      1.29467      6.79029     17.61714         0.523509      0.056584      0.116073
     19.98015      6.90743     16.83133         0.406669     -0.027979      0.324943
     20.58122      8.04812     17.43445        -0.253892     -0.106759     -0.085916
      0.71370      8.05944     17.81941         0.298902      0.304158      0.135190
      1.59971      9.21459     18.44135         0.069248      0.047692     -0.173562
      2.95682      9.15521     18.95868        -0.300051     -0.315930      0.015035
      3.61392     10.28117     19.53036         0.016711      0.255793     -0.061471
      1.09105     10.52809     18.58883        -0.210340      0.102632     -0.106413
      1.74967     11.64414     19.12999         0.315054      0.052964      0.081865
      3.06119     11.56860     19.64408        -0.684721     -0.201391     -0.323272
      4.02643      8.04114     18.87044         0.428257      0.441231      0.152069
     19.53922      9.13354     17.70371        -0.164198      0.083158      0.019216
      1.95801     18.19550     14.11547        -0.006415      0.139159      0.111349
      1.23076     19.13202     13.38108        -0.027208     -0.036190     -0.008688
      1.32118     20.50359     13.64541        -0.084140      0.093521     -0.004391
      2.85134     18.62958     15.09508        -0.082111      0.102721      0.046967
      2.95290     20.00600     15.35947         0.064750     -0.096414     -0.065952
      2.18042     20.98249     14.67193        -0.152175      0.165921      0.276496
      1.63821     16.81841     13.63367        -0.176191      0.889409     -0.172469
      0.45807     18.37762     12.33777         0.141387     -0.059645      0.087716
      2.31301      1.20014     15.00809        -0.283448     -0.056099     -0.076403
      1.69274      2.21458     14.21685         0.071942     -0.144939      0.015207
      1.94788      3.55983     14.50143         0.032784     -0.085949     -0.057322
      3.09005      1.64327     16.11342        -0.090882      0.115283     -0.096682
      3.43265      2.99546     16.31200        -0.085689     -0.233346     -0.119436
      2.88507      3.95125     15.46228        -0.087994     -0.072839     -0.120963
      3.12467      5.41945     15.29402         0.236334      0.137513      0.098158
      1.39415      4.78930     13.87312        -0.291539      0.150643     -0.310338
      1.62551      7.28378     14.40329        -0.018362      0.160333      0.034418
      0.32868      7.56392     13.97273         0.087242      0.131927     -0.008912
     21.03402      8.83613     14.10510        -0.028660      0.245849     -0.078137
      2.34544      8.40394     14.86751         0.083227      0.115329     -0.077517
      1.80143      9.71470     14.97089        -0.157276      0.069270     -0.086071
      0.41835     10.01128     14.57203        -0.121188      0.018140      0.002936
     20.87662     11.36978     14.55990         0.102859     -0.035836     -0.005283
     19.50077     11.67008     14.14650         0.254364     -0.112621      0.140607
     18.97408     12.98114     14.20867        -0.094613     -0.116747     -0.066049
      0.28135     12.55547     14.94925         0.001673     -0.194868      0.112336
     -0.25475     13.84367     15.05024        -0.167577     -0.063898      0.030645
     19.69017     14.10828     14.64719        -0.131722     -0.181218     -0.048993
     18.44944     10.68796     13.62340        -0.012604     -0.037357      0.111080
      2.89437     10.69403     15.44496        -0.255601      0.080001     -0.186821
     16.13247      0.41652      5.23611         0.082707      0.043070     -0.038319
     16.87266      0.84228      6.33698         0.020662     -0.074616      0.001429
     16.93313      2.19844      6.70878        -0.063246      0.143606     -0.039379
     15.39437      1.32492      4.50090         0.119220      0.147693     -0.020558
     15.45453      2.67518      4.85044         0.100379      0.025484      0.091229
     16.22282      3.16945      5.93106         0.024798      0.085397      0.034773
     16.39733     20.24011      4.93847         0.303069      0.322212      0.389110
     17.57071     20.88048      6.86890        -0.013753      0.057961     -0.234732
     16.25017      4.67741      6.16021        -0.017134     -0.226209      0.102902
     17.02417      5.30398      7.17165        -0.152269     -0.141259      0.101512
     16.94663      6.69499      7.34711        -0.059626      0.062571      0.128118
     15.45352      5.53708      5.35289         0.061490     -0.055196      0.073570
     15.44736      6.92925      5.48903         0.111112     -0.134601      0.024271
     16.21461      7.51249      6.49101         0.030682     -0.033029      0.051262
     16.44268      8.95084      6.84631         0.024806     -0.170483     -0.004860
     17.51250      7.57636      8.41777        -0.039890     -0.035566     -0.070290
     17.74975     10.11436      8.72600        -0.092592     -0.042210     -0.025428
     18.81363     10.01312      9.62319        -0.234390     -0.013151      0.008830
     19.38539     11.14985     10.18172         0.037873      0.271069      0.234406
     17.28477     11.42594      8.50862        -0.014021     -0.027762      0.059185
     17.82274     12.56610      9.14772         0.273268      0.254246      0.215174
     18.96037     12.48277     10.04859        -0.018072     -0.109929     -0.013105
     19.75040     13.57488     10.81487        -0.148245      0.070509     -0.123702
     21.03696     13.45872     11.47706         0.026709      0.191766     -0.007621
      0.42605     14.59141     12.01858        -0.007577     -0.077598     -0.140908
     19.24552     14.90010     10.89486         0.086419     -0.035596     -0.008999
     19.92846     16.03154     11.37704         0.057212     -0.241978     -0.023531
     21.18652     15.89779     11.97982        -0.003911     -0.241534      0.008296
      0.76906     12.28980     11.55786         0.048005      0.144057     -0.105998
     17.04167     13.82890      8.81277         0.000929     -0.066232      0.044608
     20.38459      1.35199      6.12126        -0.015465      0.174414      0.143383
     19.80739      2.40111      5.39846        -0.112582     -0.037082     -0.008411
     19.79921      3.70711      5.85594        -0.141810      0.161835     -0.009288
     20.90741      1.60219      7.38446        -0.037024      0.030186      0.122802
     20.82786      2.90750      7.89251        -0.104039      0.007393      0.040882
     20.30160      3.99943      7.14802        -0.004132      0.190075      0.211801
     20.24170      0.09522      5.33401        -0.237935      0.276715     -0.058210
     19.16959      1.83824      4.16824         0.032201      0.192268      0.130829
     20.34623      5.42361      7.65077        -0.025295     -0.040270      0.075706
     19.96302      6.47690      6.79257        -0.110907     -0.000096      0.049459
     20.24814      7.80298      7.11850         0.007586     -0.130619      0.161452
     -0.41791      5.79955      8.92863        -0.033904      0.133056     -0.047558
     -0.04201      7.12535      9.21846        -0.143003     -0.069598     -0.157089
     20.94725      8.12436      8.27701        -0.144905     -0.242211     -0.132360
      0.00361      9.57120      8.22488         0.616532      0.659688      0.809882
     19.97142      9.05992      6.37670        -0.464690      0.179554     -0.622339
     20.42491     11.53457      6.78120        -0.073392      0.036298      0.036560
     19.51539     11.94574      5.79549         0.082908     -0.037389      0.101418
     19.21734     13.29270      5.61338        -0.041496      0.316314     -0.059586
     21.05851     12.58814      7.46997        -0.044029      0.005715     -0.089463
     20.80427     13.95619      7.23066        -0.113912      0.186902     -0.195621
     19.80825     14.40125      6.27255         0.009078      0.020174     -0.043154
     19.30760     15.83536      5.97784        -0.021929      0.077242      0.020142
     18.48998     16.29915      4.87316         0.160640     -0.234274      0.141734
     17.96560     17.61115      4.83715         0.034612     -0.021144     -0.031519
     19.54790     16.88873      6.90385         0.133222     -0.286684      0.038565
     18.93983     18.14363      6.92248         0.073071     -0.025458      0.012558
     18.07572     18.53764      5.89472         0.035752     -0.044851     -0.133540
     17.94052     15.42444      3.74178         0.089412     -0.028117     -0.065177
      0.51480     14.85775      7.98556        -0.052199      0.114317     -0.206553
     12.70026      5.22221      4.07990        -0.008689     -0.069170     -0.228804
     13.17219      3.77485     20.54423        -0.004813     -0.034965     -0.008730
     12.91017      6.15634     21.09080         0.111143     -0.194467      0.091183
     12.82152      7.41289      4.42896         0.050860      0.081881     -0.172011
     13.16848      7.88755      0.11953         0.061637      0.136485      0.116264
     13.53402     10.29157      0.38529         0.052111      0.075848     -0.033415
     13.25160     13.45949      8.64515         0.062370     -0.054458     -0.246899
     13.28488     11.57832      7.18631        -0.217494     -0.145062      0.153084
     14.38510     14.11747      3.93849        -0.100418     -0.029161     -0.101180
     12.93385     17.15251     11.45521        -0.076277      0.007240      0.145736
     15.06264     17.48581      7.08843        -0.081284     -0.141789      0.186379
     14.92338     19.43166      8.47524         0.189099     -0.187835     -0.109572
      9.87393      6.88869      3.19329        -0.104120     -0.192048      0.067554
      9.80875      3.52693      6.90448         0.121676     -0.003191     -0.064781
      9.86916      5.90107      7.44003         0.199786     -0.031033     -0.180293
     10.08763      8.86737      3.72108         0.010362      0.135957      0.258004
      9.82709      7.69466      7.91073         0.073508      0.141254     -0.152521
      9.92097     10.04953      8.59559         0.127286      0.007510      0.065779
     12.14529     15.83897      2.42159        -0.066178     -0.071417      0.036890
     11.36440     13.65893      2.92823         0.166488      0.029993     -0.043824
     10.27511     14.98726      6.83549         0.077870     -0.023212      0.103490
     13.32568     20.27606      1.19607        -0.039531      0.028246     -0.090693
     11.58890     19.21255      5.57826         0.045173      0.131080     -0.006626
     12.06274      0.19244      5.09301        -0.179579      0.055287      0.070070
     10.25514      9.14139     17.39528         0.007390     -0.060356     -0.107351
     10.42892      7.75001     12.57725         0.006725     -0.105526      0.004124
     10.27450     10.11865     13.14754         0.101028     -0.218965      0.161105
     10.32304     11.38418     17.77256         0.139100      0.081179     -0.074668
     10.53056     11.92440     13.44871         0.045478      0.037198      0.195261
     10.76947     14.33362     13.74163         0.028687     -0.052404     -0.002787
      9.40929     17.74245      0.37311         0.124457     -0.080422     -0.203985
      9.86587     15.79447     20.36985        -0.207857      0.018959      0.021228
     11.57753     18.25274     17.31402         0.034303     -0.180275     -0.144030
      8.90244      0.06155      3.29995        -0.004182      0.120742      0.053866
     11.15132      0.60180     20.28532        -0.143539      0.098572     -0.028010
     10.47989      2.55614      0.21395         0.212141      0.122218     -0.039371
      7.06856     10.70308     15.88328         0.029882     -0.312612      0.111487
      7.28988      7.31590     19.59429         0.130738      0.016818     -0.083367
      7.33259      9.70492     20.11423         0.158161     -0.091471     -0.229930
      7.35293     12.77590     16.45316        -0.118988      0.091533      0.210208
      7.16529     11.44147     20.60888         0.095863      0.162498     -0.183267
      7.26750     13.74867      0.11395         0.030669      0.009459     -0.018299
      9.27362     19.91201     15.82284         0.037425     -0.114618      0.006222
      8.61919     17.67587     16.14250         0.075461      0.062805      0.076361
      6.61505     18.84804     19.74826        -0.010776     -0.007698      0.000893
     10.18655      2.88210     14.38363         0.190197      0.208074     -0.032885
      8.19466      1.98704     18.74085         0.049419      0.100807      0.122930
      9.10175      4.15237     18.33175        -0.174182     -0.100198     -0.168088
      6.79721     12.99205      8.81643        -0.007038     -0.146707     -0.139086
      7.41063     11.44535      4.08365        -0.109221     -0.053254     -0.042559
      7.59777     13.81809      4.62218        -0.247230     -0.196443      0.158879
      6.92841     15.17369      9.16672         0.057930      0.160685     -0.112596
      7.75980     15.56169      4.91657        -0.293881      0.213282      0.209656
      7.78433     17.98292      5.10323        -0.052258      0.067854      0.087815
      6.62279      0.33201     13.01656         0.063518     -0.067176     -0.260045
      6.83383     19.64031     11.76362         0.023073     -0.000207     -0.087135
      8.51475      0.68883      8.56420         0.041784     -0.114290     -0.141151
      6.24746      3.87626     15.88050         0.028973      0.079102      0.022336
      8.52429      4.43327     11.62044        -0.376728     -0.049728      0.143751
      8.02762      6.37745     12.92007         0.144393     -0.111666     -0.051187
      3.64375     14.37625      8.93523         0.239106     -0.115149      0.035445
      4.66028     11.35491     12.78012         0.162934      0.016702     -0.122819
      4.71776     13.77829     13.11070         0.042526     -0.062845     -0.260139
      3.80251     16.45563      9.19276        -0.024552      0.034039      0.104145
      5.01492     15.62916     13.30029        -0.003857      0.120024     -0.126832
      5.13243     18.02358     13.75921         0.012761      0.085958      0.053008
      5.54219      2.36248      7.48680         0.033116     -0.070546      0.204647
      4.77118      0.23284      8.00315         0.118887      0.055601     -0.033094
      3.79130      1.60220     11.91182         0.078644     -0.101186      0.126335
      7.19387      6.46345      6.09977        -0.056092      0.157436     -0.207639
      5.58618      5.86677     10.63208         0.205587      0.086226     -0.076378
      6.10963      8.04149      9.92596        -0.002084     -0.147448      0.058613
      2.05085     16.38228      3.31018        -0.046486     -0.106706     -0.036889
      0.15596     14.80082     20.19527        -0.058117     -0.112084      0.164232
      0.31030     17.15943     20.66201        -0.013151     -0.238812      0.141208
      1.72744     18.72898      3.69767        -0.053732      0.120421     -0.181899
      0.22670     18.82176     20.85659        -0.015121      0.057322      0.084716
     -0.06986     -0.04224     20.96953        -0.091210      0.051113     -0.035373
      2.52159      3.99340      6.97569         0.021289      0.037593     -0.220607
      2.29777      2.05262      5.80893         0.081474      0.054582      0.009637
      0.37026      4.23081      2.67900        -0.141495     -0.118736     -0.215640
      3.29082      7.64017      9.57964         0.109802      0.107698      0.001079
      1.65771      8.27333      5.03032         0.090609      0.066151      0.007189
      2.43277     10.17022      6.27485         0.046400     -0.023467     -0.166624
      3.60894     17.07353     20.61961         0.028266     -0.183786      0.064827
      5.85485     13.87239      2.49821        -0.061535     -0.039300     -0.012767
      5.88655     16.25837      2.97545        -0.161006     -0.205658     -0.198785
      3.54825     19.35922      0.17605         0.107400      0.059964      0.030891
      5.96009     17.87925      3.47718        -0.137781      0.180603      0.026584
      6.26807     20.12645      4.31953        -0.111348      0.100245      0.107200
      2.04016      5.60877      0.38325         0.250964     -0.017069     -0.169813
      2.52927      3.33089      0.40091         0.025942      0.041204     -0.019325
      5.18342      3.93949      3.70636         0.010645      0.100427     -0.018054
      0.91466     10.21473      0.36674        -0.127496      0.071298      0.123392
      4.69519      8.82166      3.03923        -0.030286     -0.050101     -0.130042
      3.87238     11.00311      3.32721         0.175346      0.006599      0.040707
     20.20265     19.50330     15.23878        -0.276832     -0.127584     -0.025777
     16.57032     17.87977     12.17334         0.031273     -0.008408     -0.013391
     17.05304     20.28737     12.32642         0.139204     -0.175742      0.155112
     20.50622      0.33349     15.39022        -0.303003      0.163123      0.059566
     17.01845      0.86828     12.81325         0.188526      0.074177      0.166975
     17.04796      3.28136     13.25059         0.003737      0.028249     -0.000619
      2.33833      6.64875     17.88835        -0.534605      0.060406     -0.190712
      1.23548      4.70335     17.16412         0.056574     -0.046816     -0.061507
     18.94667      6.98514     16.55553        -0.382803      0.015735     -0.201375
      4.61622     10.09868     19.88970         0.105043      0.241906      0.121170
      0.08013     10.72631     18.25076         0.091250      0.062829      0.040114
      1.22567     12.59653     19.16693        -0.137446     -0.072986     -0.130475
      0.72167     21.20161     13.05583         0.021079     -0.081727     -0.026106
      3.49055     17.90659     15.61141        -0.128814      0.108360      0.088003
      3.71726     20.32450     16.07825        -0.232928     -0.039128     -0.073764
      1.04777      1.96049     13.36259         0.142254      0.110708      0.256553
      3.52901      0.92107     16.81155        -0.129427      0.101966     -0.175646
      4.15574      3.25443     17.08492        -0.109236      0.090568      0.091844
     20.00139      8.88307     13.79352         0.033867      0.050090      0.027625
     21.02530      6.76493     13.51220        -0.446518     -0.034808      0.031340
      3.39319      8.27493     15.13337        -0.197708     -0.091468      0.081240
     17.95506     13.13207     13.86082         0.081154     -0.021260      0.045182
      1.33624     12.49632     15.16303        -0.022745      0.089510      0.161748
      0.36820     14.63741     15.43326         0.266418      0.136318     -0.017103
     17.57130      2.51292      7.54484        -0.188545     -0.157041     -0.081556
     14.81327      0.99519      3.64660         0.137027     -0.038503     -0.046338
     14.89211      3.37944      4.23607         0.169022     -0.168021      0.061457
     17.70379      4.70496      7.78748        -0.262367      0.174610      0.120056
     14.80596      5.11203      4.58087         0.199752      0.134993      0.140523
     14.82700      7.53475      4.83653         0.140324      0.050545     -0.053646
     20.23763     10.96243     10.80664        -0.145173     -0.141006     -0.019438
     19.20056      9.04333      9.91008         0.040780     -0.065801      0.040883
     16.47721     11.58200      7.80536        -0.097456     -0.040054     -0.030953
      1.40220     14.42610     12.45494        -0.111174      0.200184      0.070564
     18.23462     15.07799     10.54772         0.090577      0.096562     -0.005041
     19.50375     17.01678     11.22965        -0.260345      0.100818      0.079945
     19.39313      4.47563      5.19047        -0.032324     -0.113539      0.181044
      0.09505      0.79374      7.96934        -0.045844      0.085271      0.025172
     -0.04294      3.07314      8.89717        -0.023786      0.059110     -0.023240
     19.48156      6.25633      5.84643        -0.072360      0.068341      0.119083
     -0.26325      5.04619      9.70674         0.037262      0.124152     -0.151643
      0.50193      7.34252     10.13716        -0.178298      0.075956      0.154470
     18.41911     13.46481      4.90978         0.046471     -0.034627      0.011006
     19.01548     11.20664      5.18074        -0.157987      0.025368     -0.023710
      0.54078     12.35089      8.21460         0.092075     -0.152315      0.065360
     17.33682     17.85521      3.99202        -0.041298      0.127526     -0.080959
     20.24521     16.72209      7.71333        -0.237709     -0.002651      0.015574
     19.15775     18.82126      7.74136         0.061969     -0.016204      0.082237
     13.86686     19.27818     10.76052         0.095565      0.082409     -0.081660
     19.16114     21.06951      3.50172         0.074476      0.054620      0.045061
     12.81482      1.21713      2.63183         0.071769     -0.135230      0.160470
     13.64840     11.55188      4.47404        -0.055485     -0.107370      0.593391
      9.52061      2.61876      2.80792         0.119923     -0.067773     -0.315046
     10.48140     12.74930      5.34792        -0.050275      0.112077     -0.303062
     10.07618      5.12380     15.91516         0.123486     -0.021354      0.187734
     10.77596     15.64569     17.79018        -0.024412     -0.193312      0.226989
      7.02915      6.41698     15.47012        -0.152985     -0.148004     -0.079691
      7.30742     16.63258     18.27450        -0.008581      0.226538     -0.248065
      6.75622      8.91258      7.43029        -0.007513     -0.123054      0.270554
      7.56133     19.41926      9.10364        -0.071173     -0.061183      0.277831
      3.50786     10.16407      8.85619        -0.167344      0.057895     -0.314336
      4.14504     20.52920     10.48353        -0.064682      0.060321     -0.190414
      1.75568     12.23856      1.88773         0.235794      0.161762      0.016080
      1.19950      1.70316      3.33966         0.145452      0.040725      0.336209
      3.69289     12.71593     20.29169        -0.008264      0.341251      0.131011
      4.33625      1.92757      2.03468        -0.210244     -0.106844     -0.145570
     19.13869     15.44265     14.55302         0.284402     -0.017470      0.162639
     20.01843      4.52482     16.01484         0.292190     -0.015309      0.344428
      0.65697     16.97311     12.60473        -0.354223      0.067912     -0.257508
      2.08427      5.91892     14.45208        -0.227458     -0.006371     -0.220898
     17.38017     19.80696      5.90043         0.020491     -0.090355      0.031241
     17.21253      8.94798      8.05383         0.199693      0.090390      0.162788
     19.47570      0.47310      4.21072        -0.015470     -0.153852     -0.228394
     20.62782     10.13599      7.07823        -0.358710     -0.079366     -0.276043
     12.42530      2.28899      4.69854        -0.073096      0.081597      0.061653
     13.64538      1.01944      0.41119         0.098719     -0.391436     -0.330988
     13.23695      9.79336      6.03665         0.013355      0.095144     -0.172041
     13.89720     12.58749      2.35902         0.138122      0.499287     -0.273316
      9.58167      4.44791      1.31295         0.016335      0.019127     -0.068226
      9.29966      1.46232      4.86498         0.157949      0.196393     -0.131535
     10.30746     11.76342      3.19812         0.014283     -0.028861      0.203418
     10.14659     12.92833      7.68268        -0.012323      0.501733      0.707682
      9.99416      6.16941     18.01810        -0.060332      0.020394      1.525383
     10.85968      4.89579     13.69224         0.386523     -0.834799     -1.155455
     10.58532     13.90706     19.39825         0.007615     -0.046534      0.065404
     11.05192     16.64149     15.66546         0.025698      0.330699     -0.244556
      6.91164      8.27365     14.00887         0.070189      0.013027     -0.220700
      6.57760      5.29879     17.51481         0.143286     -0.380385      0.169692
      7.41163     15.75289     16.07212        -0.070813      0.043347     -0.130788
      7.05977     16.66042     20.61504        -0.008061      0.427513      0.619286
      6.75015     10.04929      9.51456         0.057150     -0.033094      0.203270
      7.10070      8.68608      5.09883        -0.024941     -0.159357      0.053123
      7.40312     17.69518     10.73159         0.038496      0.031838      0.207218
      7.76016     20.37354      6.94030        -0.129797     -0.010157      0.177929
      3.14555     11.94746      7.35213         0.036853      0.020525     -0.187756
      3.85374      9.09280     10.95586         0.043336     -0.133255      0.092150
      4.00085     19.38696      8.40020        -0.037990      0.082903      0.608874
      4.29968     20.76765     12.81209         0.084990     -0.205025     -0.326085
      2.95233     13.34011      3.63331         0.024243     -0.109251      0.157574
      0.15703     12.08635      0.12624         0.109788      0.165733      0.247060
      2.24254      0.18768      4.85568         0.052933      0.018437      0.017535
      0.08243      2.43517      1.38524         0.068249     -0.059771      0.054257
      2.99584     14.51758     18.90677        -0.326708      0.131417     -0.495517
      5.01667     11.67657      0.69895        -0.004018     -0.224385     -0.016442
      3.18076      1.12183      0.11002        -0.044956      0.086639     -0.084043
      5.82317      1.79727      3.88588        -0.090390     -0.043965     -0.210324
     -0.55691     16.62942     15.88272        -0.198646      0.008533     -0.160834
     17.16887     15.11980     13.26878        -0.487085     -0.554109     -0.277800
     -0.03434      2.74649     17.03886         0.031946      0.125745     -0.009764
     18.33602      5.56377     14.73875        -0.245504      0.428370     -0.152896
     21.09402     18.82226     11.39038        -0.230509      0.062308     -0.039671
      2.12499     15.77317     14.00561         0.285729     -0.626186      0.364121
      0.50639      4.84892     13.02792         0.180488     -0.006425      0.242802
      4.06314      6.08968     15.70289        -0.312313     -0.121975      0.149813
     18.17933     20.78426      7.91645         0.211039     -0.073981      0.290435
     15.91266     19.58182      4.03798         0.052098     -0.252742     -0.196486
     18.07152      7.20943      9.43524        -0.037902      0.070645      0.221708
     16.09447      9.93788      6.21833         0.076788     -0.018953      0.113415
     18.48531      2.40099      3.32604         0.069246     -0.064189     -0.037328
     20.65471     20.22596      5.54392         0.088583     -0.109781      0.105675
     19.28213      9.17852      5.36643         0.222144      0.028074      0.534030
      0.70734     10.19777      9.01671        -0.627507     -0.475059     -0.526069
     14.01326     17.48673      5.32195        -0.112703     -0.082325      0.158392
     15.93099     16.50424      5.65782        -0.164401     -0.065654      0.024802
     14.80141     16.16504      3.81125        -0.048295      0.037546      0.079853
     11.93174     15.37347     11.49446        -0.082497     -0.011774      0.038815
     11.43312     14.58217      9.53374         0.034673     -0.107658      0.006152
     13.22828     13.87454     10.62450        -0.000989      0.041608     -0.093916
     11.95196     17.93855      7.25198        -0.000697      0.105465     -0.144467
     10.00846     18.52932      6.45032        -0.032032     -0.015867     -0.072583
     10.17563     16.82111      7.76669        -0.051937     -0.186102      0.216266
     13.22482     18.54519      0.11182         0.097642      0.012408     -0.157671
     14.13475     17.13113      1.48357         0.013593     -0.182707      0.050312
     12.04589     16.89456      0.84898         0.023548     -0.052372      0.049950
     10.89267      0.34641     18.34656         0.048626     -0.114723      0.192504
     12.83421     -0.43689     19.00807        -0.003546      0.023592      0.106500
     11.96173     20.22072     17.09552         0.183173     -0.015653      0.035607
      8.57654     19.35200      3.52952         0.012271     -0.005058     -0.081483
      7.73747     18.80975      1.57064         0.223052     -0.160399     -0.071237
      9.61475     17.94053      2.29593         0.135061      0.028484     -0.135365
      7.66531      0.82917     20.39349         0.000095     -0.075546     -0.274769
      5.91012      1.01541     19.08271         0.079001      0.077025     -0.224830
      6.04747     20.66523     20.53575        -0.118805     -0.066270      0.024039
      9.95964      1.23840     13.30606        -0.028188     -0.058236     -0.103577
     11.03551      0.00082     14.70838         0.431087     -0.493233      0.211485
      9.00800     20.72993     14.08069         0.100095     -0.241742     -0.068995
      8.44900      4.05272      9.63051         0.100112     -0.313215      0.101633
     10.17382      3.04734     10.54613        -0.115666      0.004778      0.148764
      9.49192      2.48789      8.55805         0.258738     -0.108057     -0.086844
      6.05518      1.88074     16.16889         0.057821      0.153460      0.094917
      5.05548      1.32079     14.33327         0.020053     -0.025446     -0.210492
      6.96797      0.47004     14.85246         0.003591      0.015559     -0.107224
      5.05637      5.08836     12.14230        -0.134245     -0.076613     -0.239061
      3.03282      4.35101     11.75879        -0.116900     -0.143681      0.015188
      4.39960      3.26692     13.01838        -0.029192     -0.261288      0.241195
      7.18711      4.48317      5.29555         0.164007      0.082466     -0.215647
      7.39106      2.93687      6.79355        -0.088465      0.062475      0.126247
      5.40963      3.48468      6.01094        -0.053446      0.056451      0.096753
     -0.57565      7.24433      4.48597         0.308944     -0.151491     -0.176661
      1.06310      7.46075      3.12418         0.097144     -0.001215      0.023098
     -0.58015      6.05898      2.69287        -0.116925      0.002975      0.068460
      3.24417      5.70647      9.85229         0.100945     -0.100657      0.264186
      1.83194      4.49410      8.79049        -0.090301      0.106591      0.018696
      3.80773      4.77099      7.95055         0.203599     -0.106429     -0.008107
      6.10161      6.97574      3.51797         0.053080      0.017992      0.033908
      4.17038      7.50939      4.46225        -0.040391     -0.076730     -0.018277
      5.12839      5.72022      5.05759        -0.132847      0.068790     -0.238567
      0.22109      8.63541     20.72903        -0.372928     -0.107058     -0.184748
      1.71907      7.13996     -1.02629         0.335885     -0.110994      0.428091
      0.41154      6.85495      0.66757        -0.078850      0.054121     -0.062986
     19.40691      9.38877     19.04049         0.168355      0.086559     -0.015292
     19.78432     10.34455     17.08768         0.022157     -0.216233      0.095516
     18.28684      8.78375     17.27699         0.063475      0.052233      0.079077
      4.87126      8.11616     19.96501        -0.089640      0.052397     -0.086744
      3.83154      6.70073     18.79708        -0.365120      0.005135     -0.044353
      4.73949      8.36793     17.73791        -0.160894     -0.329509      0.241620
      3.37843     11.43440     14.39214        -0.181024      0.163080     -0.024070
      2.56073     11.60879     16.40597        -0.192236     -0.154127     -0.078140
      3.97843     10.06347     15.95573         0.259068     -0.141987      0.018341
     17.32919     11.31009     13.15684        -0.110001      0.023264      0.016726
     18.86202      9.90735     12.57110         0.051640      0.029967      0.102630
     18.01963      9.82720     14.59363         0.052453     -0.106453      0.141317
     16.22032     14.19370      9.85924         0.134860      0.003664     -0.042980
     17.78577     14.93681      8.50218         0.079055     -0.159098      0.047264
     16.23397     13.64707      7.73550         0.052516      0.052671     -0.054320
      1.77384     12.52531     12.44852         0.086641      0.033300      0.195304
      0.34691     11.04427     11.92296        -0.166172     -0.049859     -0.090094
      1.38096     12.16345     10.35403        -0.136229     -0.098381     -0.105026
      1.24405     15.64079      7.12932        -0.046421      0.121789     -0.178430
     21.24099     15.71795      8.92072        -0.087625     -0.093245     -0.167936
      1.40915     14.14451      8.70355         0.342150     -0.049953     -0.008092
     17.31371     16.14456      2.77832         0.153411      0.108743     -0.198142
     18.87137     14.66143      3.08068         0.200586      0.202393      0.137401
     16.98466     14.52965      4.19782         0.149709      0.077824     -0.118464
 -----------------------------------------------------------------------------------
    total drift:                                0.018503     -0.002948      0.016598


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4568.5262437306 eV

  energy  without entropy=    -4568.6758979787  energy(sigma->0) =    -4568.57612848
 
 d Force = 0.7483353E+00[ 0.214E+00, 0.128E+01]  d Energy = 0.7502969E+00-0.196E-02
 d Force = 0.9140085E+03[ 0.911E+03, 0.917E+03]  d Ewald  = 0.9140120E+03-0.344E-02


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.750297  1 .order   -0.748335   -1.282865   -0.213805
  (g-gl).g = 0.413E+01      g.g   = 0.414E+01  gl.gl    = 0.476E+01
 g(Force)  = 0.414E+01   g(Stress)= 0.000E+00 ortho     =-0.140E-01
 gamma     =   0.86761
 trial     =   0.31084
 opt step  =   0.37300  (harmonic =   0.37300) maximal distance =0.04601026
 next E    = -4568.545662   (d E  =  -0.76972)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   53(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.1810722E-01  (-0.1913404E+01)
 number of electron    2497.9999979 magnetization 
 augmentation part      162.6795753 magnetization 

  free energy =  -0.456850812781E+04  energy without entropy=  -0.456865776920E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   53(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3528
 total energy-change (2. order) :-0.4006427E-01  (-0.4904411E-01)
 number of electron    2497.9999979 magnetization 
 augmentation part      162.6816360 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8825
  0.8825

  free energy =  -0.456854819208E+04  energy without entropy=  -0.456869746608E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   53(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3672
 total energy-change (2. order) : 0.1294014E-02  (-0.1044351E-02)
 number of electron    2497.9999979 magnetization 
 augmentation part      162.6807978 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4119
  1.1024  1.7214

  free energy =  -0.456854689807E+04  energy without entropy=  -0.456869643804E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   53(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) :-0.3913719E-03  (-0.7951677E-03)
 number of electron    2497.9999979 magnetization 
 augmentation part      162.6780326 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2851
  2.1921  0.8870  0.7762

  free energy =  -0.456854728944E+04  energy without entropy=  -0.456869664578E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   53(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3616
 total energy-change (2. order) :-0.1185406E-03  (-0.1676996E-03)
 number of electron    2497.9999979 magnetization 
 augmentation part      162.6780522 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2905
  2.3491  0.9638  0.9638  0.8855

  free energy =  -0.456854740798E+04  energy without entropy=  -0.456869696207E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   53(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) : 0.6481149E-04  (-0.7846840E-04)
 number of electron    2497.9999979 magnetization 
 augmentation part      162.6787102 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2319
  2.4047  1.0905  1.0905  0.7870  0.7870

  free energy =  -0.456854734317E+04  energy without entropy=  -0.456869677632E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   53(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3512
 total energy-change (2. order) :-0.6628747E-05  (-0.2241750E-04)
 number of electron    2497.9999979 magnetization 
 augmentation part      162.6785538 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2167
  2.4119  1.1972  1.1972  0.9319  0.9319  0.6302

  free energy =  -0.456854734980E+04  energy without entropy=  -0.456869689274E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   53(   8)  ---------------------------------------



 eigenvalue-minimisations  :  2720
 total energy-change (2. order) : 0.3136083E-05  (-0.2755293E-05)
 number of electron    2497.9999979 magnetization 
 augmentation part      162.6785538 magnetization 

  free energy =  -0.456854734666E+04  energy without entropy=  -0.456869685416E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0285       2 -56.1308       3 -56.0655       4 -55.8144       5 -55.8241
       6 -56.2926       7 -58.1735       8 -58.2316       9 -56.2611      10 -55.9550
      11 -56.0069      12 -55.7977      13 -55.7892      14 -55.9731      15 -58.0900
      16 -58.0799      17 -56.3500      18 -54.9745      19 -54.9105      20 -55.1125
      21 -55.6587      22 -55.6578      23 -55.7271      24 -55.6314      25 -54.9611
      26 -54.8366      27 -54.9555      28 -54.9271      29 -60.4068      30 -60.3653
      31 -55.6514      32 -55.8246      33 -55.7373      34 -55.3026      35 -55.4934
      36 -55.9763      37 -57.7925      38 -58.0343      39 -56.0672      40 -55.7945
      41 -55.9008      42 -55.7005      43 -55.7243      44 -55.8798      45 -58.1013
      46 -58.1240      47 -56.4387      48 -55.1256      49 -54.9703      50 -55.2676
      51 -55.8995      52 -55.8725      53 -55.7645      54 -55.7199      55 -55.0851
      56 -54.8363      57 -54.9845      58 -56.3484      59 -60.3497      60 -60.6104
      61 -55.9363      62 -55.9949      63 -55.9084      64 -55.7413      65 -55.7364
      66 -56.2085      67 -58.1224      68 -58.1564      69 -56.2338      70 -55.9023
      71 -56.0123      72 -55.7271      73 -55.6762      74 -55.9209      75 -58.0750
      76 -58.1501      77 -56.4518      78 -55.1067      79 -54.9982      80 -55.2448
      81 -55.8613      82 -55.8787      83 -55.9243      84 -55.9328      85 -55.1978
      86 -55.0954      87 -55.2108      88 -56.4509      89 -60.7111      90 -60.4538
      91 -55.6869      92 -55.8111      93 -55.7331      94 -55.4672      95 -55.5350
      96 -56.0221      97 -57.8684      98 -57.9804      99 -56.1514     100 -55.8975
     101 -56.0125     102 -55.6746     103 -55.7157     104 -55.9280     105 -58.1264
     106 -58.2183     107 -56.4892     108 -55.1714     109 -55.0017     110 -55.4181
     111 -55.9943     112 -55.9137     113 -55.7762     114 -55.7789     115 -55.0714
     116 -54.9275     117 -55.0160     118 -56.3394     119 -60.4271     120 -60.6213
     121 -55.9108     122 -55.9727     123 -55.8549     124 -55.7313     125 -55.7490
     126 -56.1484     127 -58.0421     128 -58.1709     129 -56.0783     130 -55.7612
     131 -55.8484     132 -55.6385     133 -55.5667     134 -55.7862     135 -57.8866
     136 -58.0041     137 -56.4361     138 -55.1083     139 -54.9385     140 -55.2489
     141 -55.8583     142 -55.8633     143 -55.9298     144 -55.9097     145 -55.1672
     146 -55.1298     147 -55.2036     148 -56.4147     149 -60.5867     150 -60.5695
     151 -55.5838     152 -55.6219     153 -55.4817     154 -55.3140     155 -55.4197
     156 -55.8663     157 -57.9231     158 -57.8379     159 -55.9748     160 -55.7326
     161 -55.8862     162 -55.5184     163 -55.5774     164 -55.7953     165 -57.9563
     166 -58.0905     167 -56.4691     168 -55.0793     169 -54.8857     170 -55.3097
     171 -55.9415     172 -55.9184     173 -55.8289     174 -55.7420     175 -55.2981
     176 -54.8039     177 -55.0217     178 -56.4517     179 -60.4458     180 -60.6300
     181 -55.9419     182 -56.1139     183 -55.9590     184 -55.7118     185 -55.6983
     186 -56.2329     187 -58.0076     188 -58.2335     189 -56.2412     190 -55.8881
     191 -56.0147     192 -55.7421     193 -55.7155     194 -55.9481     195 -58.0850
     196 -58.1961     197 -56.5116     198 -55.0779     199 -54.9651     200 -55.2743
     201 -55.8940     202 -55.9529     203 -55.9009     204 -55.8248     205 -55.1219
     206 -55.2266     207 -55.1577     208 -56.4380     209 -60.7245     210 -60.5070
     211 -55.9402     212 -56.0809     213 -55.9528     214 -55.7275     215 -55.6913
     216 -56.2085     217 -58.0936     218 -58.2569     219 -56.1012     220 -55.7976
     221 -55.8948     222 -55.5785     223 -55.4800     224 -55.8034     225 -57.9434
     226 -58.1082     227 -56.5228     228 -55.1198     229 -55.0464     230 -55.2450
     231 -55.7721     232 -55.9259     233 -55.9552     234 -55.7072     235 -55.0154
     236 -55.1163     237 -55.1922     238 -56.4462     239 -60.3614     240 -60.3803
     241 -55.9381     242 -55.9933     243 -55.8828     244 -55.7405     245 -55.7630
     246 -56.1830     247 -58.0892     248 -58.1145     249 -56.1751     250 -55.8674
     251 -55.9545     252 -55.7330     253 -55.7026     254 -55.8759     255 -57.9462
     256 -58.0526     257 -56.3458     258 -55.0550     259 -54.8731     260 -55.1835
     261 -55.7961     262 -55.8048     263 -55.8701     264 -55.9532     265 -55.3273
     266 -54.9666     267 -55.1491     268 -56.4199     269 -60.6380     270 -60.3789
     271 -55.8756     272 -55.9568     273 -55.8036     274 -55.7008     275 -55.6667
     276 -56.0721     277 -58.1046     278 -58.1434     279 -55.9616     280 -55.7044
     281 -55.7814     282 -55.5417     283 -55.5007     284 -55.7936     285 -57.9958
     286 -58.0137     287 -56.3982     288 -54.9868     289 -54.9381     290 -55.2540
     291 -55.8851     292 -55.8640     293 -55.8448     294 -55.8114     295 -55.1635
     296 -54.9355     297 -55.0319     298 -56.3824     299 -60.4078     300 -60.5640
     301 -55.8431     302 -55.9849     303 -55.8934     304 -55.5769     305 -55.6119
     306 -56.1048     307 -58.0634     308 -58.2038     309 -56.1159     310 -55.8040
     311 -55.9304     312 -55.6614     313 -55.6180     314 -55.8576     315 -57.9848
     316 -58.0595     317 -56.4065     318 -55.0199     319 -54.8329     320 -55.2271
     321 -55.8019     322 -55.7533     323 -55.8834     324 -55.8932     325 -55.1813
     326 -55.1014     327 -55.2226     328 -56.4362     329 -60.5983     330 -60.4098
     331 -55.7775     332 -55.7904     333 -55.6943     334 -55.6145     335 -55.5899
     336 -56.0496     337 -57.9837     338 -57.9184     339 -55.9240     340 -55.5832
     341 -55.7415     342 -55.5658     343 -55.5470     344 -55.7642     345 -57.9293
     346 -57.9484     347 -56.4486     348 -54.9898     349 -54.9372     350 -55.2256
     351 -55.8139     352 -55.8337     353 -55.7903     354 -55.7599     355 -55.2128
     356 -54.8995     357 -55.0020     358 -56.4175     359 -60.4471     360 -60.5359
     361 -39.0899     362 -38.8163     363 -38.9506     364 -39.0324     365 -38.9648
     366 -38.7711     367 -38.0276     368 -38.1149     369 -38.1001     370 -38.1645
     371 -38.1391     372 -38.1995     373 -38.7468     374 -38.2892     375 -38.6730
     376 -38.7822     377 -38.8164     378 -38.7855     379 -38.1337     380 -38.1275
     381 -38.2946     382 -38.0881     383 -38.1819     384 -38.0145     385 -38.8666
     386 -38.7978     387 -38.8191     388 -38.8449     389 -38.7996     390 -38.5582
     391 -38.1826     392 -38.2199     393 -38.2280     394 -38.1693     395 -38.2643
     396 -38.3533     397 -38.6952     398 -38.4029     399 -38.6827     400 -38.8505
     401 -38.7234     402 -38.7823     403 -38.2413     404 -38.1893     405 -38.4395
     406 -38.1789     407 -38.1070     408 -37.9063     409 -38.7524     410 -38.7658
     411 -38.9282     412 -38.7003     413 -38.8380     414 -38.6105     415 -38.2052
     416 -38.2537     417 -38.1933     418 -38.1780     419 -38.1454     420 -38.3235
     421 -38.5083     422 -38.2739     423 -38.4981     424 -38.6830     425 -38.5838
     426 -38.6624     427 -38.1606     428 -38.0773     429 -38.3781     430 -38.3057
     431 -38.0234     432 -37.9652     433 -38.8204     434 -38.6976     435 -38.9156
     436 -38.7129     437 -38.9910     438 -38.6953     439 -38.4254     440 -38.1301
     441 -38.2319     442 -38.2285     443 -38.2520     444 -38.0842     445 -38.8502
     446 -38.7866     447 -38.8574     448 -38.7531     449 -38.7877     450 -38.3997
     451 -38.0995     452 -38.0149     453 -38.1291     454 -38.0252     455 -38.0799
     456 -38.1683     457 -38.8486     458 -38.6900     459 -38.8370     460 -38.8478
     461 -38.8364     462 -38.6903     463 -38.1159     464 -38.2718     465 -38.2800
     466 -38.4427     467 -38.0640     468 -38.2193     469 -38.8639     470 -38.7039
     471 -38.6928     472 -38.7432     473 -38.5531     474 -38.4579     475 -38.1290
     476 -38.1000     477 -38.1710     478 -38.0924     479 -38.1532     480 -38.0586
     481 -38.8222     482 -38.7497     483 -38.8365     484 -38.8141     485 -38.8781
     486 -38.7640     487 -38.1551     488 -38.1981     489 -38.2098     490 -38.2472
     491 -38.2077     492 -38.3838     493 -38.7765     494 -38.5395     495 -38.6623
     496 -38.7141     497 -38.5175     498 -38.5305     499 -38.1438     500 -37.9479
     501 -38.2128     502 -38.1854     503 -38.0720     504 -37.9924     505 -38.2670
     506 -41.1127     507 -71.6916     508 -71.5623     509 -71.4507     510 -71.5574
     511 -71.4288     512 -71.5352     513 -71.3637     514 -71.5868     515 -71.5967
     516 -71.4404     517 -71.3927     518 -71.5682     519 -71.5502     520 -71.6818
     521 -71.5369     522 -71.4627     523 -71.5274     524 -71.4294     525 -71.5763
     526 -71.4629     527 -71.5798     528 -71.5094     529 -71.2195     530 -71.5493
     531 -76.8977     532 -76.8769     533 -76.7531     534 -76.7724     535 -76.7006
     536 -76.4410     537 -76.8053     538 -76.8471     539 -76.9392     540 -76.9283
     541 -76.8253     542 -76.7484     543 -76.6524     544 -76.6090     545 -76.9150
     546 -76.8643     547 -76.8357     548 -76.7137     549 -76.6793     550 -76.5068
     551 -76.5264     552 -76.6367     553 -76.6842     554 -76.5900     555 -76.8624
     556 -76.6898     557 -76.8683     558 -76.7320     559 -76.9509     560 -76.7936
     561 -76.7804     562 -76.5712     563 -76.7683     564 -76.8077     565 -76.7194
     566 -76.6153     567 -76.8200     568 -76.8391     569 -76.7005     570 -76.6267
     571 -76.8914     572 -76.7752     573 -76.7254     574 -76.6380     575 -76.5438
     576 -76.6372     577 -76.5730     578 -76.4336     579 -82.4039     580 -82.2741
     581 -82.2720     582 -82.3985     583 -82.2511     584 -82.2661     585 -82.4488
     586 -82.4934     587 -82.6352     588 -82.2276     589 -82.1093     590 -82.3719
     591 -82.4387     592 -82.2397     593 -82.3216     594 -82.7138     595 -82.4532
     596 -82.7495     597 -82.4219     598 -82.4796     599 -82.6544     600 -82.1993
     601 -82.2583     602 -82.5062     603 -82.5075     604 -82.3483     605 -82.6478
     606 -82.4307     607 -82.4314     608 -82.5679     609 -82.6429     610 -82.3668
     611 -82.5263     612 -82.4700     613 -82.2552     614 -82.2798     615 -82.4153
     616 -82.5530     617 -82.3740     618 -82.8404     619 -82.6764     620 -82.7924
     621 -82.2405     622 -82.4310     623 -82.3671     624 -82.3680     625 -82.3790
     626 -82.1392     627 -82.2052     628 -82.2680     629 -82.2327     630 -82.3700
     631 -82.7241     632 -82.3317     633 -82.4229     634 -82.4449     635 -82.5473
     636 -82.3050     637 -82.3195     638 -82.2124     639 -82.1879     640 -82.3553
     641 -82.3736     642 -82.4535     643 -82.5912     644 -82.4146     645 -82.3741
     646 -82.4277     647 -82.5953     648 -82.3794     649 -82.3113     650 -82.2466
 
 
 
 E-fermi :  -1.4516     XC(G=0):  -6.4876     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.3130      2.00000
      2     -29.0246      2.00000
      3     -28.9789      2.00000
      4     -28.9778      2.00000
      5     -28.9772      2.00000
      6     -28.9295      2.00000
      7     -28.9075      2.00000
      8     -28.8837      2.00000
      9     -28.8631      2.00000
     10     -28.8451      2.00000
     11     -28.8448      2.00000
     12     -28.8285      2.00000
     13     -28.8141      2.00000
     14     -28.7649      2.00000
     15     -28.7438      2.00000
     16     -28.7339      2.00000
     17     -28.6917      2.00000
     18     -28.6672      2.00000
     19     -28.6211      2.00000
     20     -28.6151      2.00000
     21     -28.6062      2.00000
     22     -28.5978      2.00000
     23     -28.5899      2.00000
     24     -28.5055      2.00000
     25     -27.1190      2.00000
     26     -26.7467      2.00000
     27     -26.7280      2.00000
     28     -26.6878      2.00000
     29     -26.6560      2.00000
     30     -26.6380      2.00000
     31     -26.6356      2.00000
     32     -26.6193      2.00000
     33     -26.6046      2.00000
     34     -26.6028      2.00000
     35     -26.5953      2.00000
     36     -26.5722      2.00000
     37     -26.5712      2.00000
     38     -26.5407      2.00000
     39     -26.5393      2.00000
     40     -26.5184      2.00000
     41     -26.5168      2.00000
     42     -26.5036      2.00000
     43     -26.4826      2.00000
     44     -26.4694      2.00000
     45     -26.4681      2.00000
     46     -26.4502      2.00000
     47     -26.4485      2.00000
     48     -26.4467      2.00000
     49     -26.4402      2.00000
     50     -26.4353      2.00000
     51     -26.4342      2.00000
     52     -26.4137      2.00000
     53     -26.4110      2.00000
     54     -26.4046      2.00000
     55     -26.4021      2.00000
     56     -26.3976      2.00000
     57     -26.3954      2.00000
     58     -26.3693      2.00000
     59     -26.3492      2.00000
     60     -26.3440      2.00000
     61     -26.3198      2.00000
     62     -26.3187      2.00000
     63     -26.2932      2.00000
     64     -26.2855      2.00000
     65     -26.2781      2.00000
     66     -26.2522      2.00000
     67     -26.2513      2.00000
     68     -26.2433      2.00000
     69     -26.2399      2.00000
     70     -26.2275      2.00000
     71     -26.2208      2.00000
     72     -26.2036      2.00000
     73     -23.4572      2.00000
     74     -23.3278      2.00000
     75     -23.3129      2.00000
     76     -23.2613      2.00000
     77     -23.2608      2.00000
     78     -23.2381      2.00000
     79     -23.2104      2.00000
     80     -23.1869      2.00000
     81     -23.1784      2.00000
     82     -23.1604      2.00000
     83     -23.1496      2.00000
     84     -23.1354      2.00000
     85     -23.1268      2.00000
     86     -23.0736      2.00000
     87     -23.0525      2.00000
     88     -23.0442      2.00000
     89     -23.0355      2.00000
     90     -23.0148      2.00000
     91     -22.9919      2.00000
     92     -22.9897      2.00000
     93     -22.9782      2.00000
     94     -22.9741      2.00000
     95     -22.9592      2.00000
     96     -22.9434      2.00000
     97     -22.9102      2.00000
     98     -22.8948      2.00000
     99     -22.8708      2.00000
    100     -22.8416      2.00000
    101     -22.8218      2.00000
    102     -22.8110      2.00000
    103     -22.7996      2.00000
    104     -22.7483      2.00000
    105     -22.7406      2.00000
    106     -22.7389      2.00000
    107     -22.7294      2.00000
    108     -22.7216      2.00000
    109     -22.6823      2.00000
    110     -22.6406      2.00000
    111     -22.6046      2.00000
    112     -22.5971      2.00000
    113     -22.5664      2.00000
    114     -22.5466      2.00000
    115     -22.5431      2.00000
    116     -22.5355      2.00000
    117     -22.5081      2.00000
    118     -22.4973      2.00000
    119     -22.4543      2.00000
    120     -22.3427      2.00000
    121     -20.5345      2.00000
    122     -20.4270      2.00000
    123     -20.4157      2.00000
    124     -20.4001      2.00000
    125     -20.3999      2.00000
    126     -20.3125      2.00000
    127     -20.3073      2.00000
    128     -20.3038      2.00000
    129     -20.3025      2.00000
    130     -20.2768      2.00000
    131     -20.2739      2.00000
    132     -20.2683      2.00000
    133     -20.2603      2.00000
    134     -20.2387      2.00000
    135     -20.2253      2.00000
    136     -20.2253      2.00000
    137     -20.2118      2.00000
    138     -20.2038      2.00000
    139     -20.1631      2.00000
    140     -20.1511      2.00000
    141     -20.1466      2.00000
    142     -20.1359      2.00000
    143     -20.1151      2.00000
    144     -19.9976      2.00000
    145     -18.6520      2.00000
    146     -18.5372      2.00000
    147     -18.4896      2.00000
    148     -18.4867      2.00000
    149     -18.4816      2.00000
    150     -18.4655      2.00000
    151     -18.4367      2.00000
    152     -18.4180      2.00000
    153     -18.4114      2.00000
    154     -18.4079      2.00000
    155     -18.3500      2.00000
    156     -18.3466      2.00000
    157     -18.3255      2.00000
    158     -18.2444      2.00000
    159     -18.2104      2.00000
    160     -18.2029      2.00000
    161     -18.2006      2.00000
    162     -18.1897      2.00000
    163     -18.1552      2.00000
    164     -18.1499      2.00000
    165     -18.1474      2.00000
    166     -18.1360      2.00000
    167     -18.0949      2.00000
    168     -18.0601      2.00000
    169     -17.9193      2.00000
    170     -17.9080      2.00000
    171     -17.8892      2.00000
    172     -17.8753      2.00000
    173     -17.8383      2.00000
    174     -17.8182      2.00000
    175     -17.7976      2.00000
    176     -17.7708      2.00000
    177     -17.7563      2.00000
    178     -17.7432      2.00000
    179     -17.7230      2.00000
    180     -17.6880      2.00000
    181     -17.6013      2.00000
    182     -17.5533      2.00000
    183     -17.5388      2.00000
    184     -17.5177      2.00000
    185     -17.5131      2.00000
    186     -17.4963      2.00000
    187     -17.4883      2.00000
    188     -17.4850      2.00000
    189     -17.4775      2.00000
    190     -17.4734      2.00000
    191     -17.4455      2.00000
    192     -17.4427      2.00000
    193     -16.7356      2.00000
    194     -16.6990      2.00000
    195     -16.6567      2.00000
    196     -16.6445      2.00000
    197     -16.6094      2.00000
    198     -16.5936      2.00000
    199     -16.5728      2.00000
    200     -16.5419      2.00000
    201     -16.5143      2.00000
    202     -16.4814      2.00000
    203     -16.4775      2.00000
    204     -16.4708      2.00000
    205     -16.1444      2.00000
    206     -16.1376      2.00000
    207     -16.1054      2.00000
    208     -16.0933      2.00000
    209     -16.0491      2.00000
    210     -16.0352      2.00000
    211     -16.0080      2.00000
    212     -15.9563      2.00000
    213     -15.9472      2.00000
    214     -15.8968      2.00000
    215     -15.8814      2.00000
    216     -15.7791      2.00000
    217     -15.7584      2.00000
    218     -15.6420      2.00000
    219     -15.6294      2.00000
    220     -15.6175      2.00000
    221     -15.6116      2.00000
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    223     -15.5906      2.00000
    224     -15.5772      2.00000
    225     -15.5475      2.00000
    226     -15.5314      2.00000
    227     -15.5054      2.00000
    228     -15.4717      2.00000
    229     -15.4595      2.00000
    230     -15.4459      2.00000
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    232     -15.4325      2.00000
    233     -15.4295      2.00000
    234     -15.4171      2.00000
    235     -15.4111      2.00000
    236     -15.4072      2.00000
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    238     -15.3832      2.00000
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    240     -15.3565      2.00000
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    264     -15.1191      2.00000
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    266     -15.1004      2.00000
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    270     -15.0340      2.00000
    271     -14.9735      2.00000
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   1496       5.5320      0.00000
   1497       5.5392      0.00000
   1498       5.5531      0.00000
   1499       5.5540      0.00000
   1500       5.5694      0.00000
   1501       5.5847      0.00000
   1502       5.5934      0.00000
   1503       5.6024      0.00000
   1504       5.6114      0.00000
   1505       5.6201      0.00000
   1506       5.6401      0.00000
   1507       5.6447      0.00000
   1508       5.6497      0.00000
   1509       5.6647      0.00000
   1510       5.6763      0.00000
   1511       5.6819      0.00000
   1512       5.6876      0.00000
   1513       5.6989      0.00000
   1514       5.7032      0.00000
   1515       5.7132      0.00000
   1516       5.7252      0.00000
   1517       5.7350      0.00000
   1518       5.7446      0.00000
   1519       5.7648      0.00000
   1520       5.7704      0.00000
   1521       5.7868      0.00000
   1522       5.7914      0.00000
   1523       5.8027      0.00000
   1524       5.8086      0.00000
   1525       5.8177      0.00000
   1526       5.8233      0.00000
   1527       5.8397      0.00000
   1528       5.8465      0.00000
   1529       5.8545      0.00000
   1530       5.8672      0.00000
   1531       5.8819      0.00000
   1532       5.8943      0.00000
   1533       5.8987      0.00000
   1534       5.9066      0.00000
   1535       5.9194      0.00000
   1536       5.9258      0.00000
   1537       5.9311      0.00000
   1538       5.9395      0.00000
   1539       5.9535      0.00000
   1540       5.9542      0.00000
   1541       5.9623      0.00000
   1542       5.9831      0.00000
   1543       5.9862      0.00000
   1544       5.9998      0.00000
   1545       6.0098      0.00000
   1546       6.0171      0.00000
   1547       6.0224      0.00000
   1548       6.0236      0.00000
   1549       6.0288      0.00000
   1550       6.0362      0.00000
   1551       6.0570      0.00000
   1552       6.0581      0.00000
   1553       6.0705      0.00000
   1554       6.0791      0.00000
   1555       6.0922      0.00000
   1556       6.0986      0.00000
   1557       6.1174      0.00000
   1558       6.1204      0.00000
   1559       6.1342      0.00000
   1560       6.1387      0.00000
   1561       6.1510      0.00000
   1562       6.1608      0.00000
   1563       6.1697      0.00000
   1564       6.1755      0.00000
   1565       6.1774      0.00000
   1566       6.1891      0.00000
   1567       6.1942      0.00000
   1568       6.2038      0.00000
   1569       6.2100      0.00000
   1570       6.2119      0.00000
   1571       6.2227      0.00000
   1572       6.2331      0.00000
   1573       6.2438      0.00000
   1574       6.2484      0.00000
   1575       6.2600      0.00000
   1576       6.2784      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.087  13.411  -0.001   0.001  -0.000   0.001  -0.004   0.000
 13.411  17.830  -0.001   0.002  -0.000   0.002  -0.006   0.000
 -0.001  -0.001  -4.232   0.003   0.001   8.278  -0.004  -0.001
  0.001   0.002   0.003  -4.233   0.001  -0.004   8.278  -0.001
 -0.000  -0.000   0.001   0.001  -4.225  -0.001  -0.001   8.269
  0.001   0.002   8.278  -0.004  -0.001 -18.320   0.007   0.002
 -0.004  -0.006  -0.004   8.278  -0.001   0.007 -18.318  -0.000
  0.000   0.000  -0.001  -0.001   8.269   0.002  -0.000 -18.311
 total augmentation occupancy for first ion, spin component:           1
  8.445  -3.802   0.184   0.130  -0.037   0.023   0.024  -0.006
 -3.802   1.785  -0.096  -0.089   0.021  -0.010  -0.015   0.003
  0.184  -0.096   1.775  -0.066  -0.040   0.167  -0.012  -0.008
  0.130  -0.089  -0.066   1.902  -0.080  -0.012   0.178  -0.011
 -0.037   0.021  -0.040  -0.080   1.222  -0.008  -0.011   0.080
  0.023  -0.010   0.167  -0.012  -0.008   0.017  -0.002  -0.001
  0.024  -0.015  -0.012   0.178  -0.011  -0.002   0.018  -0.001
 -0.006   0.003  -0.008  -0.011   0.080  -0.001  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -51502.78554 96464.70175 25459.22085-11406.22191  6722.58384 20929.89047
  Hartree  4065.44221123355.59833 63515.82498-11768.80279  4699.62554 15295.08563
  E(xc)  -10734.02039-10587.32142-10630.15966     2.65039     7.98753    32.20239
  Local   14009.45547************************ 23162.28825-11448.74713-35650.06510
  n-local -5845.16663 -5975.37826 -6031.87869     4.26780    17.04547   -61.95390
  augment  1494.54379  1535.52275  1487.61812     5.09421    12.66969    -2.67746
  Kinetic 45512.58691 43212.31754 43670.42347   -22.06690   -67.38510  -555.06882
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -92.0854704   -423.1901625   -146.8019637    -22.7909496    -56.2201576    -12.5867938
  in kB      -15.3559893    -70.5703470    -24.4804025     -3.8005733     -9.3751613     -2.0989486
  external PRESSURE =     -36.8022463 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.239E+03 -.115E+03 0.250E+03   0.239E+03 0.115E+03 -.251E+03   -.565E-01 -.515E+00 0.139E+01   0.145E-03 0.729E-03 -.511E-03
   -.198E+03 -.139E+03 0.598E+02   0.198E+03 0.141E+03 -.594E+02   0.252E+00 -.121E+01 -.393E+00   0.540E-04 0.642E-03 -.107E-03
   -.169E+03 -.128E+03 0.278E+01   0.169E+03 0.129E+03 -.119E+01   0.290E+00 -.108E+01 -.177E+01   0.130E-03 -.754E-04 -.426E-03
   -.223E+03 -.102E+03 0.343E+03   0.223E+03 0.102E+03 -.345E+03   -.213E+00 0.113E+00 0.248E+01   0.423E-04 0.644E-03 -.117E-02
   -.171E+03 -.149E+03 0.304E+03   0.171E+03 0.150E+03 -.306E+03   0.195E+00 -.745E+00 0.109E+01   -.406E-03 0.406E-03 -.118E-02
   -.155E+03 -.112E+03 0.167E+03   0.155E+03 0.112E+03 -.167E+03   0.772E-01 -.418E-01 0.572E-01   -.169E-03 -.168E-03 -.718E-03
   -.242E+03 -.133E+03 0.183E+03   0.241E+03 0.138E+03 -.183E+03   0.606E+00 -.433E+01 0.928E+00   0.376E-03 0.326E-03 -.263E-03
   -.184E+03 -.118E+03 0.334E+02   0.184E+03 0.122E+03 -.354E+02   -.437E+00 -.411E+01 0.193E+01   -.544E-04 0.260E-03 0.101E-02
   -.114E+03 0.665E+01 0.196E+03   0.114E+03 -.673E+01 -.196E+03   -.353E-01 -.444E-01 0.708E-01   -.234E-03 -.476E-03 -.819E-03
   -.863E+02 0.889E+02 0.630E+02   0.858E+02 -.904E+02 -.619E+02   0.442E+00 0.138E+01 -.126E+01   0.183E-03 -.434E-03 -.519E-03
   -.964E+02 0.106E+03 0.139E+03   0.962E+02 -.107E+03 -.139E+03   0.239E+00 0.990E+00 0.946E-01   -.665E-04 -.268E-03 -.514E-03
   -.112E+03 0.331E+00 0.334E+03   0.112E+03 -.645E+00 -.335E+03   -.297E-01 0.308E+00 0.120E+01   -.574E-03 -.447E-03 -.111E-02
   -.117E+03 -.386E+02 0.365E+03   0.117E+03 0.395E+02 -.367E+03   -.841E-01 -.969E+00 0.234E+01   -.319E-03 -.254E-03 -.907E-03
   -.123E+03 0.254E+02 0.307E+03   0.123E+03 -.253E+02 -.308E+03   -.239E+00 -.362E-01 0.157E+01   -.244E-03 -.183E-03 -.667E-03
   -.116E+03 0.116E+03 0.272E+03   0.115E+03 -.120E+03 -.274E+03   0.462E+00 0.388E+01 0.226E+01   0.457E-05 0.646E-03 -.119E-02
   -.917E+02 0.118E+03 0.105E+03   0.916E+02 -.121E+03 -.109E+03   0.115E+00 0.296E+01 0.341E+01   -.524E-04 -.933E-04 -.931E-03
   -.795E+02 0.116E+03 0.573E+02   0.799E+02 -.111E+03 -.531E+02   -.276E+00 -.456E+01 -.425E+01   0.914E-04 0.404E-03 -.269E-03
   -.133E+02 0.205E+03 -.152E+03   0.128E+02 -.207E+03 0.154E+03   0.688E+00 0.198E+01 -.219E+01   0.653E-04 -.266E-03 0.680E-03
   0.233E+02 0.150E+03 -.202E+03   -.234E+02 -.151E+03 0.204E+03   0.258E+00 0.324E+00 -.164E+01   -.336E-04 -.272E-03 0.912E-03
   -.750E+02 0.117E+03 0.183E+03   0.761E+02 -.116E+03 -.186E+03   -.105E+01 -.743E+00 0.315E+01   -.104E-04 -.330E-03 0.142E-03
   -.758E+01 0.734E+02 -.211E+01   0.644E+01 -.749E+02 0.348E+01   0.109E+01 0.173E+01 -.114E+01   -.224E-03 -.328E-03 0.947E-04
   -.320E+01 0.145E+02 -.136E+03   0.319E+01 -.148E+02 0.137E+03   0.311E-01 0.596E-01 -.846E+00   -.471E-04 0.284E-03 0.556E-03
   -.446E+02 -.314E+02 -.178E+03   0.449E+02 0.317E+02 0.178E+03   -.273E+00 -.410E+00 0.698E+00   -.959E-04 0.553E-05 0.796E-03
   -.518E+02 -.670E+02 -.234E+03   0.531E+02 0.686E+02 0.233E+03   -.132E+01 -.158E+01 0.117E+01   -.348E-03 -.241E-03 0.708E-03
   -.292E+02 -.157E+03 -.345E+03   0.288E+02 0.158E+03 0.346E+03   0.442E+00 -.632E+00 -.178E+01   -.241E-03 -.347E-03 0.473E-03
   -.113E+03 -.165E+03 -.161E+03   0.114E+03 0.165E+03 0.159E+03   -.916E+00 -.282E+00 0.192E+01   0.117E-03 -.257E-03 0.120E-02
   -.962E+02 -.283E+03 -.194E+03   0.966E+02 0.284E+03 0.193E+03   -.348E+00 -.783E+00 0.465E+00   0.218E-03 -.647E-03 0.866E-03
   -.475E+02 -.265E+03 -.299E+03   0.475E+02 0.266E+03 0.299E+03   -.138E-01 -.134E+01 -.361E+00   -.970E-04 -.310E-03 0.258E-03
   -.540E+02 -.187E+02 -.223E+03   0.600E+02 0.262E+02 0.217E+03   -.606E+01 -.767E+01 0.507E+01   -.129E-03 0.575E-03 -.872E-04
   -.668E+01 0.524E+02 0.234E+02   0.187E+01 -.612E+02 -.187E+02   0.506E+01 0.866E+01 -.483E+01   -.154E-02 0.536E-03 -.804E-03
   -.217E+03 -.281E+02 -.427E+02   0.217E+03 0.283E+02 0.442E+02   -.302E+00 -.265E-01 -.170E+01   0.584E-03 0.384E-03 -.125E-03
   -.148E+03 -.150E+03 0.135E+03   0.148E+03 0.152E+03 -.135E+03   -.769E-02 -.131E+01 -.212E+00   -.178E-03 0.648E-03 -.459E-03
   -.159E+03 -.156E+03 0.183E+03   0.158E+03 0.158E+03 -.184E+03   0.182E+00 -.166E+01 0.114E+01   -.772E-03 0.227E-03 -.523E-03
   -.315E+03 0.727E+01 -.163E+03   0.315E+03 -.911E+01 0.166E+03   0.172E+00 0.178E+01 -.281E+01   0.125E-02 0.930E-03 0.806E-04
   -.301E+03 -.685E+02 -.188E+03   0.301E+03 0.686E+02 0.189E+03   0.152E+00 -.838E-01 -.133E+01   0.873E-03 0.118E-03 0.359E-03
   -.225E+03 -.722E+02 -.117E+01   0.225E+03 0.721E+02 0.116E+01   0.294E+00 0.258E+00 -.198E-01   -.195E-03 -.156E-03 0.105E-03
   -.124E+03 -.547E+02 -.920E+01   0.125E+03 0.583E+02 0.123E+02   -.915E+00 -.389E+01 -.269E+01   0.689E-03 0.595E-03 -.191E-03
   -.765E+02 -.145E+03 0.114E+03   0.769E+02 0.148E+03 -.111E+03   -.375E+00 -.317E+01 -.369E+01   -.132E-03 0.100E-02 -.339E-03
   -.199E+03 0.471E+02 -.924E+01   0.199E+03 -.474E+02 0.916E+01   0.842E-01 0.207E+00 -.882E-02   -.558E-03 -.322E-03 0.188E-03
   -.114E+03 0.577E+02 0.198E+03   0.113E+03 -.589E+02 -.200E+03   0.372E+00 0.101E+01 0.180E+01   -.109E-02 -.227E-03 -.494E-03
   -.831E+02 0.820E+02 0.107E+03   0.831E+02 -.834E+02 -.108E+03   -.951E-01 0.136E+01 0.293E+00   -.692E-03 -.105E-03 -.304E-03
   -.231E+03 0.877E+02 -.229E+03   0.231E+03 -.887E+02 0.229E+03   -.149E-01 0.932E+00 -.938E+00   0.649E-04 -.320E-03 0.338E-03
   -.191E+03 0.438E+02 -.302E+03   0.191E+03 -.439E+02 0.304E+03   0.733E-01 0.166E+00 -.229E+01   -.637E-04 -.424E-03 0.236E-03
   -.121E+03 0.622E+02 -.159E+03   0.121E+03 -.631E+02 0.161E+03   -.210E+00 0.692E+00 -.133E+01   -.440E-03 -.418E-03 0.337E-03
   -.674E+02 0.109E+03 -.967E+02   0.674E+02 -.114E+03 0.963E+02   0.103E+00 0.468E+01 -.618E+00   -.578E-03 0.898E-03 0.102E-02
   -.273E+02 0.858E+02 0.133E+03   0.269E+02 -.901E+02 -.131E+03   0.466E+00 0.442E+01 -.196E+01   -.690E-03 0.716E-04 -.400E-03
   0.230E+02 0.532E+02 0.992E+02   -.215E+02 -.477E+02 -.101E+03   -.146E+01 -.553E+01 0.198E+01   -.802E-03 0.175E-03 -.112E-03
   -.119E+02 0.132E+03 0.275E+03   0.128E+02 -.133E+03 -.277E+03   -.100E+01 0.133E+01 0.257E+01   -.843E-03 0.259E-03 -.415E-03
   -.420E+02 0.125E+03 0.239E+03   0.429E+02 -.125E+03 -.241E+03   -.973E+00 -.181E+00 0.194E+01   -.112E-02 0.343E-04 -.484E-03
   0.422E+02 0.757E+02 -.509E+02   -.432E+02 -.759E+02 0.539E+02   0.805E+00 0.209E+00 -.304E+01   -.976E-03 0.250E-03 -.270E-04
   0.543E+01 0.271E+02 0.321E+02   -.510E+01 -.279E+02 -.343E+02   -.250E+00 0.107E+01 0.213E+01   -.850E-03 -.241E-04 0.888E-05
   -.189E+02 0.149E+02 0.915E+02   0.194E+02 -.147E+02 -.924E+02   -.559E+00 -.174E+00 0.882E+00   -.758E-03 0.338E-03 -.307E-03
   -.818E+02 0.654E+01 0.424E+02   0.818E+02 -.660E+01 -.418E+02   0.244E-01 0.101E+00 -.661E+00   -.452E-03 0.126E-03 -.163E-03
   -.163E+03 -.137E+02 0.947E+02   0.162E+03 0.145E+02 -.928E+02   0.766E+00 -.968E+00 -.157E+01   -.300E-03 0.302E-03 0.137E-03
   -.256E+03 -.724E+02 0.166E+03   0.257E+03 0.725E+02 -.169E+03   -.147E+01 -.153E+00 0.284E+01   0.338E-03 -.483E-04 0.382E-03
   -.855E+02 -.111E+03 -.118E+03   0.851E+02 0.110E+03 0.120E+03   0.440E+00 0.340E+00 -.167E+01   0.790E-05 0.216E-04 -.260E-03
   -.116E+03 -.122E+03 -.163E+03   0.115E+03 0.123E+03 0.166E+03   0.772E+00 -.118E+01 -.287E+01   0.336E-03 -.331E-04 -.192E-03
   -.186E+03 -.541E+02 0.290E+02   0.184E+03 0.480E+02 -.270E+02   0.123E+01 0.587E+01 -.214E+01   0.286E-03 0.341E-04 0.190E-03
   -.198E+03 0.222E+02 0.143E+03   0.195E+03 -.163E+02 -.134E+03   0.302E+01 -.590E+01 -.855E+01   -.200E-02 0.368E-03 0.542E-04
   -.523E+02 0.618E+00 -.420E+02   0.542E+02 -.687E+01 0.329E+02   -.178E+01 0.641E+01 0.886E+01   -.559E-03 -.547E-03 0.677E-03
   -.363E+03 -.758E+02 0.817E+02   0.363E+03 0.758E+02 -.829E+02   0.191E+00 -.450E+00 0.121E+01   0.206E-02 -.429E-03 -.791E-03
   -.366E+03 -.103E+03 -.860E+02   0.365E+03 0.104E+03 0.867E+02   0.200E+00 -.121E+01 -.446E+00   0.188E-02 -.796E-03 0.367E-03
   -.338E+03 -.970E+02 -.134E+03   0.338E+03 0.983E+02 0.136E+03   0.527E-01 -.900E+00 -.181E+01   0.158E-02 -.164E-02 0.695E-03
   -.309E+03 -.687E+02 0.170E+03   0.310E+03 0.690E+02 -.172E+03   -.226E+00 0.254E+00 0.217E+01   0.176E-02 -.183E-02 -.720E-04
   -.255E+03 -.113E+03 0.130E+03   0.255E+03 0.114E+03 -.131E+03   0.129E+00 -.758E+00 0.100E+01   0.109E-02 -.153E-02 0.116E-03
   -.280E+03 -.828E+02 -.277E+01   0.280E+03 0.828E+02 0.289E+01   -.361E-02 0.846E-01 0.177E-01   0.108E-02 -.128E-02 -.241E-03
   -.377E+03 -.114E+03 0.531E+01   0.375E+03 0.120E+03 -.405E+01   0.377E+00 -.423E+01 0.829E+00   0.314E-02 -.238E-02 -.197E-02
   -.374E+03 -.999E+02 -.457E+02   0.375E+03 0.104E+03 0.415E+02   -.563E+00 -.408E+01 0.194E+01   0.177E-02 -.130E-02 0.223E-02
   -.234E+03 0.442E+02 0.211E+02   0.234E+03 -.444E+02 -.211E+02   -.941E-02 0.772E-01 0.274E-01   0.826E-03 -.752E-03 -.216E-03
   -.258E+03 0.118E+03 -.752E+02   0.258E+03 -.120E+03 0.763E+02   0.123E+00 0.155E+01 -.126E+01   0.114E-02 -.513E-03 0.358E-03
   -.255E+03 0.130E+03 -.144E+01   0.255E+03 -.132E+03 0.133E+01   0.154E+00 0.137E+01 0.262E+00   0.795E-03 0.664E-04 0.194E-03
   -.179E+03 0.420E+02 0.128E+03   0.179E+03 -.424E+02 -.129E+03   -.995E-01 0.348E+00 0.118E+01   0.525E-03 0.505E-04 -.125E-03
   -.172E+03 -.106E+02 0.138E+03   0.172E+03 0.114E+02 -.141E+03   -.146E+00 -.104E+01 0.246E+01   0.481E-03 0.270E-03 -.357E-03
   -.228E+03 0.343E+02 0.119E+03   0.228E+03 -.345E+02 -.121E+03   0.182E-01 0.180E+00 0.154E+01   0.516E-03 0.232E-03 -.431E-03
   -.245E+03 0.100E+03 0.110E+03   0.244E+03 -.105E+03 -.112E+03   0.413E+00 0.408E+01 0.228E+01   0.308E-03 0.669E-03 -.565E-03
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   0.511E+03 -.417E+03 -.101E+03   -.503E+03 0.462E+03 0.772E+02   -.724E+01 -.445E+02 0.240E+02   -.451E-03 0.149E-02 -.571E-04
   0.945E+03 0.139E+03 -.915E+02   -.994E+03 -.151E+03 0.754E+02   0.491E+02 0.118E+02 0.163E+02   0.163E-03 -.202E-03 0.160E-02
   -.422E+03 0.434E+02 -.392E+03   0.453E+03 -.425E+02 0.433E+03   -.304E+02 -.795E+00 -.406E+02   -.137E-03 0.212E-03 0.146E-02
   -.101E+01 0.522E+03 -.972E+02   -.353E+01 -.576E+03 0.960E+02   0.420E+01 0.542E+02 0.122E+01   -.202E-02 -.694E-03 0.107E-02
   -.235E+03 -.104E+03 0.169E+03   0.260E+03 0.116E+03 -.211E+03   -.252E+02 -.129E+02 0.425E+02   0.184E-04 0.598E-03 0.902E-03
   -.312E+03 -.309E+03 0.102E+03   0.329E+03 0.336E+03 -.141E+03   -.172E+02 -.270E+02 0.392E+02   -.155E-02 0.386E-03 -.608E-03
   0.982E+02 -.491E+03 -.275E+03   -.110E+03 0.526E+03 0.313E+03   0.117E+02 -.347E+02 -.385E+02   -.152E-03 0.811E-03 -.118E-02
   -.392E+03 -.683E+02 -.397E+02   0.436E+03 0.436E+02 0.614E+02   -.438E+02 0.245E+02 -.217E+02   -.925E-03 0.117E-02 -.319E-02
   0.867E+03 -.540E+02 -.177E+03   -.912E+03 0.769E+02 0.158E+03   0.446E+02 -.229E+02 0.190E+02   -.713E-04 0.139E-02 0.154E-02
   0.459E+03 0.408E+03 0.301E+02   -.445E+03 -.437E+03 -.706E+02   -.139E+02 0.286E+02 0.406E+02   0.789E-03 0.402E-03 0.154E-02
   0.743E+03 0.298E+03 -.419E+03   -.761E+03 -.331E+03 0.457E+03   0.175E+02 0.329E+02 -.380E+02   0.123E-02 0.158E-02 0.660E-03
   0.386E+03 -.577E+02 -.617E+03   -.417E+03 0.705E+02 0.656E+03   0.314E+02 -.128E+02 -.391E+02   -.344E-03 -.196E-03 0.178E-02
   0.106E+02 -.393E+03 -.881E+02   0.173E+02 0.436E+03 0.750E+02   -.278E+02 -.427E+02 0.132E+02   -.168E-02 0.733E-04 0.250E-02
   0.252E+03 0.164E+03 0.122E+03   -.285E+03 -.170E+03 -.165E+03   0.324E+02 0.579E+01 0.429E+02   -.917E-03 -.138E-03 0.859E-03
   -.233E+03 -.173E+03 -.396E+03   0.273E+03 0.180E+03 0.431E+03   -.399E+02 -.724E+01 -.349E+02   -.497E-03 0.571E-03 0.173E-02
   0.253E+03 0.354E+03 -.218E+03   -.267E+03 -.402E+03 0.234E+03   0.137E+02 0.487E+02 -.156E+02   -.108E-03 0.227E-03 0.197E-02
   -.604E+02 -.539E+02 0.131E+03   0.837E+02 0.487E+02 -.179E+03   -.234E+02 0.518E+01 0.476E+02   0.242E-03 0.363E-03 0.185E-02
   -.257E+03 -.406E+03 0.414E+03   0.285E+03 0.436E+03 -.447E+03   -.280E+02 -.295E+02 0.330E+02   0.112E-02 0.113E-02 -.847E-03
   0.154E+03 -.496E+03 -.141E+03   -.173E+03 0.527E+03 0.177E+03   0.187E+02 -.308E+02 -.364E+02   0.189E-02 0.130E-03 0.121E-02
   -.246E+03 -.113E+03 0.128E+02   0.282E+03 0.843E+02 0.165E+02   -.360E+02 0.285E+02 -.293E+02   0.193E-02 0.104E-02 -.112E-02
   0.182E+02 -.179E+03 0.833E+03   -.442E+02 0.207E+03 -.872E+03   0.261E+02 -.276E+02 0.396E+02   0.293E-02 0.347E-03 -.159E-02
   -.172E+03 0.210E+03 0.619E+03   0.207E+03 -.239E+03 -.645E+03   -.349E+02 0.288E+02 0.259E+02   0.172E-02 0.420E-03 -.195E-02
   0.127E+03 0.401E+03 0.324E+03   -.163E+03 -.432E+03 -.308E+03   0.359E+02 0.313E+02 -.159E+02   -.167E-03 -.781E-04 -.227E-02
 -----------------------------------------------------------------------------------------------
   0.975E+01 -.347E+01 -.165E+02   0.986E-11 0.568E-12 -.381E-11   -.975E+01 0.346E+01 0.164E+02   0.210E-01 0.317E-02 0.931E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.04671      3.16366      1.35980         0.072044     -0.063300     -0.054300
     12.84045      3.57895      2.67375        -0.022236     -0.024206     -0.042160
     12.81830      4.93382      3.02684        -0.004783      0.259966     -0.174194
     13.07704      4.08707      0.32486         0.061821      0.130717      0.019109
     12.96402      5.44021      0.65525         0.065954      0.041834      0.053086
     12.92818      5.91562      1.99354        -0.037534      0.061459     -0.003187
     13.20535      1.67939      1.32575        -0.261385      0.653945      0.538937
     12.65242      2.34529      3.49880         0.064408      0.072793     -0.075268
     13.04581      7.40567      2.23716        -0.130102     -0.119358     -0.015722
     13.04103      7.99787      3.52836        -0.084045     -0.146261     -0.094499
     13.30062      9.36517      3.65304         0.001867      0.027018      0.049002
     13.20959      8.28793      1.13458         0.057699     -0.006036      0.026197
     13.43163      9.66296      1.26814        -0.028690     -0.038101      0.148820
     13.50895     10.19364      2.55463        -0.027691      0.048353      0.136020
     13.72667     11.59900      3.03932        -0.175215     -0.697182      0.271407
     13.38693     10.19407      4.89093        -0.005869      0.008020      0.093205
     13.72225     12.67444      5.38958         0.076543     -0.063580     -0.049691
     13.43824     12.55659      6.76076         0.142774      0.127611     -0.172226
     13.44411     13.67253      7.59774         0.121306      0.230760      0.443795
     14.07661     13.96172      4.96536        -0.016392      0.017380      0.109304
     14.09358     15.07671      5.82712        -0.052988      0.147811      0.231563
     13.77576     15.00200      7.23133         0.028725     -0.281908      0.039607
     13.85479     16.12030      8.29398         0.083722     -0.071419      0.045936
     13.28647     16.09550      9.63045        -0.022560      0.006621     -0.104216
     13.36886     17.21852     10.46823         0.004192     -0.050132     -0.021721
     14.52325     17.34621      8.01219         0.021293     -0.125715      0.065246
     14.51170     18.48043      8.83014         0.039602     -0.041662     -0.026159
     13.92620     18.42591     10.08143        -0.050793     -0.075683      0.069076
     12.48482     14.99181     10.30216        -0.064848     -0.198205     -0.246599
     14.66326     16.30201      5.15634         0.250212     -0.185334     -0.136446
      9.74166      3.85099      4.77757         0.016157      0.171541     -0.168625
      9.74034      4.78613      3.73968        -0.025130     -0.067793      0.135905
      9.84410      6.16171      4.01129         0.004058      0.010370      0.111145
      9.85507      4.25365      6.10116         0.000331     -0.063003     -0.037004
      9.90377      5.61415      6.38413         0.124796      0.030389     -0.118488
      9.92012      6.60242      5.36665         0.011986      0.212291     -0.029501
      9.49666      2.49128      4.23394         0.051363     -0.260534      0.400034
      9.60658      4.01675      2.45279         0.041853     -0.010338      0.096440
     10.00414      8.05914      5.76021         0.010915     -0.066784     -0.088366
     10.09905      9.09792      4.79359         0.072879     -0.172098     -0.043349
     10.21410     10.41900      5.22094        -0.019896     -0.088556      0.037784
      9.96352      8.44999      7.12815         0.026077     -0.006575     -0.132146
     10.03307      9.78838      7.54270        -0.014485     -0.009849     -0.222862
     10.18649     10.77382      6.57074         0.010683     -0.185222     -0.064935
     10.27534     12.25620      6.68864         0.091031     -0.659776     -1.039707
     10.34131     11.66345      4.42054         0.051873      0.161486     -0.115180
     10.78201     14.10473      4.96236         0.017436     -0.022124     -0.096000
     11.28382     14.42408      3.69389        -0.038482      0.068440      0.016050
     11.69299     15.72639      3.39507        -0.079440      0.310925     -0.059713
     10.67237     15.18402      5.84787        -0.127311      0.039668     -0.059270
     11.02136     16.51141      5.52401         0.087339      0.234404     -0.086896
     11.57925     16.87038      4.22313        -0.069467      0.021994     -0.009237
     12.02171     18.27718      3.70413         0.003538      0.039898     -0.084631
     12.57775     18.69376      2.42196        -0.079947     -0.182046      0.268776
     12.88350     20.04389      2.15543        -0.072859     -0.039710     -0.090958
     11.90748     19.38622      4.56816         0.065650     -0.217940      0.199319
     12.18209     20.72563      4.29942         0.047553      0.001795     -0.016797
     12.63234     21.10745      3.03354         0.044289     -0.225314     -0.062572
     12.98223     17.81573      1.23922         0.220706      0.064383      0.073636
     10.79575     17.43566      6.72662         0.067077      0.160744     -0.299141
     10.37140      7.09058     14.65069         0.219206     -0.407615      0.000525
     10.26700      7.50507     15.97829         0.067018     -0.259917      0.229226
     10.29734      8.86119     16.33872         0.127051      0.371350     -0.280920
     10.39070      8.03065     13.63070         0.057435      0.582173      0.062387
     10.33501      9.39853     13.97318         0.082399     -0.113534      0.077826
     10.35660      9.87124     15.31511         0.057338      0.109432      0.136511
     10.47388      5.57444     14.59632        -0.878808      1.807537      2.080200
     10.09975      6.24846     16.82778         0.289775      0.273199     -2.261241
     10.45584     11.39014     15.57640        -0.012818     -0.099948      0.018467
     10.47186     11.99212     16.87481        -0.015551     -0.105030     -0.098030
     10.62337     13.38702     17.00637         0.006996      0.022944      0.152103
     10.56063     12.29733     14.47773         0.006365     -0.035297      0.045981
     10.70245     13.68814     14.62096        -0.019129     -0.144782     -0.037640
     10.74667     14.22817     15.90299         0.056510      0.023217      0.062596
     10.88700     15.65533     16.35495        -0.104365     -0.452100      0.399367
     10.65288     14.26215     18.23483         0.047668      0.141121     -0.035403
     10.70238     16.81152     18.66309         0.070539      0.114654      0.031967
     10.13078     16.75551     19.93980         0.083734     -0.048062     -0.150998
      9.94560     17.91017     20.70699        -0.081071      0.200096      0.223785
     11.13442     18.10181     18.28824        -0.013149     -0.002347      0.071403
     11.01398     19.26062     19.09391        -0.067248      0.015399      0.286439
     10.39695     19.22006     20.42104        -0.089767     -0.031569     -0.035781
     10.17194     20.35645      0.21874         0.018031      0.200171     -0.258616
      9.54882     20.30853      1.53414         0.097458     -0.144096     -0.150507
      9.34279      0.19986      2.32314         0.010283     -0.046521     -0.214120
     10.56132      0.43088     21.17345        -0.138537     -0.289854     -0.092370
     10.26358      1.58685      0.64885        -0.037302     -0.153935     -0.027509
      9.67171      1.50064      1.91363        -0.034652     -0.062847      0.050626
      8.91487     19.11027      2.22132        -0.430489     -0.042853     -0.267926
     11.66089     20.46790     18.40477         0.217687     -0.176881     -0.036475
      7.20862      7.64463     17.45283        -0.027023      0.010945      0.032580
      7.16603      8.58746     16.42403        -0.115852      0.020830      0.000026
      7.16237      9.96708     16.69349         0.035736      0.130576      0.148581
      7.32057      8.04479     18.78031         0.034920      0.012187     -0.095477
      7.33610      9.41371     19.05619         0.104602      0.107127     -0.001698
      7.25200     10.41384     18.04867        -0.036688      0.114354     -0.081647
      6.91504      6.28829     16.89583         0.277366      0.682595     -0.231012
      7.02488      7.82426     15.13287         0.085808     -0.105403      0.192979
      7.23024     11.87953     18.45985         0.026666     -0.100420     -0.068300
      7.26063     12.96412     17.53011         0.067847     -0.199080      0.028148
      7.24173     14.28063     18.00791         0.011361      0.020681      0.028571
      7.21786     12.22131     19.84151         0.104148     -0.007989     -0.156415
      7.24351     13.54302     20.30321        -0.026844     -0.120006     -0.125997
      7.21369     14.57342     19.37286         0.031182     -0.016726     -0.044693
      7.18359     16.05434     19.57509         0.113049     -0.728257     -1.086237
      7.32536     15.58358     17.27549        -0.073846      0.034049      0.291506
      7.54691     18.03325     17.99565         0.100355     -0.065243     -0.125445
      8.27798     18.41188     16.86755        -0.002426      0.061071     -0.052748
      8.61350     19.74896     16.65789         0.137603      0.156098     -0.228689
      7.15646     19.09052     18.83929        -0.031072      0.067931     -0.246879
      7.42521     20.45980     18.56952         0.189357      0.181798     -0.214594
      8.21967     20.87614     17.40319        -0.013241     -0.081097      0.092276
      8.73107      1.01467     16.91083         0.051758      0.119789      0.106849
      9.37148      1.39972     15.65802        -0.013093     -0.771207     -0.315758
      9.80122      2.71106     15.37579        -0.070671     -0.172931      0.191321
      8.64892      2.13009     17.76818         0.178720      0.071528      0.107438
      9.14722      3.42091     17.52213        -0.033777      0.158825      0.276260
      9.70608      3.77119     16.27827         0.023940      0.085065      0.355886
      9.80360      0.50366     14.45617         0.116262      0.714933      0.210258
      6.77603      0.10647     19.62165         0.215711      0.208642     -0.162586
      6.94438     10.86904      6.12307        -0.018378      0.010809      0.072561
      6.81523     11.30763      7.43733        -0.002133     -0.036650     -0.004589
      6.87708     12.67230      7.77210         0.058169      0.131722     -0.058983
      7.20518     11.77844      5.10208        -0.050144      0.077044      0.062434
      7.29326     13.13651      5.42734        -0.037837      0.045551      0.101751
      7.10096     13.63966      6.74587         0.064221      0.177044      0.048391
      6.93009      9.37783      6.08803         0.001767      0.030340      0.034385
      6.75033     10.07273      8.29567         0.012425      0.117895     -0.001387
      7.20242     15.14709      6.98736        -0.010383     -0.255906      0.080986
      7.08499     15.77440      8.26341         0.061596     -0.147749     -0.120827
      7.22699     17.17095      8.36198         0.021171      0.082094      0.070591
      7.48103     16.00162      5.88529        -0.044438     -0.046041      0.005238
      7.53044     17.39423      5.98482        -0.042062     -0.104863      0.004433
      7.39605     17.98001      7.24223        -0.038423     -0.004812      0.121195
      7.58918     19.40662      7.66929        -0.057581      0.097253     -0.166468
      7.38208     18.05346      9.56894        -0.028946     -0.002944     -0.029416
      7.62649     20.58777      9.97434        -0.000468     -0.082149     -0.063781
      7.16772     20.56473     11.29751         0.070514      0.057955     -0.007051
      7.11401      0.47342     12.06614        -0.040851      0.168407      0.152167
      8.12769      0.58182      9.56825         0.087333     -0.156146      0.045827
      8.19418      1.72155     10.40236        -0.123575      0.203941      0.542171
      7.62007      1.75357     11.74456         0.023663     -0.104038     -0.012349
      7.47685      2.91909     12.79402         0.299709      0.194199     -0.506923
      6.88677      2.85830     14.10748        -0.225087     -0.126743      0.471503
      6.70605      4.01165     14.91174         0.081490     -0.228192     -0.045334
      7.92055      4.25534     12.51213         0.193342     -0.367218     -0.347897
      7.72236      5.40079     13.29810        -0.069888     -0.192579     -0.037382
      7.10909      5.30454     14.55546         0.088990      0.152373     -0.100149
      6.26929      1.64107     14.83686        -0.054872      0.253973      0.111137
      9.04840      2.81550      9.79867         0.263575      0.178063      0.118403
      4.17971     11.49121     10.67999         0.040963      0.094356     -0.109649
      3.91931     12.35797      9.62176         0.038172     -0.047751     -0.098827
      3.95099     13.74422      9.77021         0.100798      0.151949     -0.054598
      4.51242     12.01361     11.92609         0.075261      0.070189     -0.124017
      4.54275     13.40781     12.09174         0.050626     -0.045854     -0.073887
      4.27258     14.31488     11.02866         0.068959      0.166846     -0.072613
      3.86320     10.09253     10.26029         0.039097      0.414490     -0.257340
      3.48289     11.54168      8.45099         0.081130      0.061610      0.051560
      4.31943     15.81778     11.23942         0.138084     -0.133324     -0.150400
      4.04311     16.77347     10.20974         0.132429     -0.064938      0.082041
      4.12916     18.14535     10.49973         0.012123     -0.129352      0.048458
      4.73522     16.32026     12.49922         0.009160      0.113585     -0.138549
      4.79616     17.68729     12.78058        -0.060356     -0.116978     -0.076132
      4.43483     18.58862     11.78428        -0.049253     -0.134151     -0.162223
      4.31034     20.05986     11.81068        -0.006477      0.420789      0.664788
      4.05971     19.36769      9.62553        -0.204428     -0.059241     -0.859550
      4.35452      0.65185     10.07934         0.121146     -0.089522      0.121861
      4.78456      0.98002      8.79509         0.066408      0.095164     -0.068104
      5.24865      2.26749      8.51628         0.129228      0.192214     -0.030157
      4.25421      1.75791     10.94737        -0.016954     -0.280523     -0.034945
      4.73300      3.06527     10.66743         0.162033      0.177346     -0.271647
      5.35931      3.38665      9.39146        -0.001933     -0.067730     -0.100028
      5.96835      4.75184      8.84716         0.162575      0.028512      0.015704
      6.47310      5.05251      7.51865        -0.050573     -0.223246      0.420043
      6.80742      6.36671      7.10308        -0.017246      0.150139      0.095255
      5.95282      5.93168      9.62237        -0.064397     -0.440693      0.350746
      6.24288      7.23177      9.21125        -0.038330      0.373122      0.028336
      6.63251      7.52594      7.89827        -0.067718     -0.166488     -0.108391
      6.61377      4.00578      6.42650         0.188012     -0.078077      0.025013
      4.34200      3.95464     11.85621        -0.038704      0.154068     -0.048153
      0.96400     14.21763      0.88079        -0.094563      0.002038      0.048053
      1.58479     14.65907      2.04894        -0.006615     -0.151621      0.101363
      1.60608     16.03843      2.37196        -0.092948      0.108143     -0.186960
      0.52793     15.11672     21.17297        -0.119721      0.023459      0.010510
      0.62059     16.47529      0.19843        -0.137949      0.126238      0.004402
      1.06461     16.99728      1.44167         0.114683     -0.082024      0.137670
      0.87851     12.74064      0.87077        -0.112185     -0.327089     -0.206935
      2.19389     13.40023      2.68704        -0.099141     -0.086570     -0.069223
      0.95928     18.51517      1.63662         0.036616     -0.202551     -0.030230
      1.32586     19.23608      2.81053        -0.067011     -0.064680     -0.014797
      1.16901     20.63519      2.82684         0.023774      0.123716     -0.041744
      0.47243     19.29646      0.54547        -0.016127     -0.109187      0.098785
      0.28333     20.67575      0.58789         0.002887      0.030710      0.035393
      0.61714      0.08557      1.75762         0.112891     -0.074826      0.061757
      0.56627      1.54471      2.06802         0.005336     -0.067096     -0.103727
      1.61118      0.39681      3.83452         0.027810     -0.171958     -0.070577
      1.37582      2.93439      4.06411        -0.123682      0.087988     -0.151255
      1.96117      2.96641      5.32807        -0.037661      0.123137     -0.056079
      2.08958      4.16898      6.01482        -0.001872      0.052840      0.072086
      0.88972      4.17983      3.61985         0.018416      0.042151      0.046726
      0.99623      5.38588      4.34888         0.144128      0.114398      0.055662
      1.70068      5.47393      5.61338        -0.074934     -0.086286     -0.184109
      2.06088      6.70989      6.47471         0.143879      0.200047      0.136789
      2.54432      6.67571      7.82810        -0.134554     -0.062103     -0.166204
      2.99519      7.78937      8.55195        -0.094685      0.113319     -0.161933
      2.04289      8.06658      6.02385        -0.081737     -0.405248     -0.176581
      2.51504      9.18741      6.72972        -0.008153      0.116731     -0.117701
      3.03540      9.08382      8.03607        -0.046956     -0.175581      0.012461
      2.82436      5.43283      8.60864        -0.434255      0.010591     -0.166611
      0.24436      6.52051      3.66535        -0.313311     -0.123427      0.281304
      4.67047     14.08380      0.69294        -0.001103     -0.100037     -0.031855
      4.06410     14.98367     -0.18145        -0.062282      0.004882     -0.183524
      4.07882     16.38216      0.06997         0.049976      0.071010      0.182920
      5.34131     14.55491      1.81784         0.022023      0.213594      0.079677
      5.34607     15.93083      2.08016        -0.104845      0.022587     -0.048583
      4.69928     16.90301      1.26168        -0.031583     -0.066434      0.047271
      4.51284     12.67180      0.20250        -0.183198      0.458608     -0.117307
      3.49462     14.13353     19.93739         0.215659     -0.144148      0.748026
      4.74326     18.37886      1.73727        -0.072624     -0.151508     -0.070564
      4.14539     19.49936      1.08057         0.050763     -0.082723      0.001996
      4.32226     20.80294      1.59861        -0.027751      0.186338     -0.077458
      5.45387     18.68158      2.93731        -0.156754      0.009122     -0.170390
      5.63755     19.97341      3.44239        -0.073071     -0.137640     -0.121327
      5.07287     21.03736      2.74763        -0.068308      0.289621     -0.075732
      5.16027      1.25488      3.01262         0.014670      0.198371      0.150698
      3.85135      0.89814      1.10008         0.048957      0.100065      0.159998
      4.01662      3.36769      1.99377        -0.062934      0.049523     -0.296113
      3.09256      3.95394      1.09290         0.197369      0.207998      0.030566
      2.84057      5.34965      1.06240        -0.003631     -0.145984     -0.226559
      4.54598      4.30571      2.90490         0.136025     -0.077332     -0.079444
      4.26902      5.69424      2.84601        -0.186217      0.443452      0.165720
      3.45621      6.35408      1.86604        -0.246879      0.331226     -0.222373
      3.14059      7.94777      1.74180        -0.003139      0.053679      0.005479
      2.09347      8.54846      0.94211        -0.173307     -0.259192      0.163147
      1.68913      9.89289      1.04257         0.124093      0.219100      0.073223
      3.77230      9.00292      2.49784        -0.030698      0.070033     -0.284579
      3.32864     10.35033      2.64829        -0.047260     -0.443970     -0.171495
      2.22956     10.84704      1.92202         0.184460     -0.077623     -0.096567
      1.13754      7.81486      0.02246        -0.323847     -0.549500      0.225630
      4.90377      6.47969      3.95643         0.147426     -0.303800      0.086537
     18.08413     17.33892     13.63424         0.012995      0.009632      0.015805
     19.10780     17.80812     14.45697        -0.047544     -0.012301      0.050642
     19.38048     19.17297     14.59089        -0.017115      0.296856      0.060876
     17.35244     18.23243     12.84978         0.018927      0.076753      0.209146
     17.63330     19.60418     12.96086        -0.013707     -0.026914      0.121122
     18.60220     20.12384     13.86468         0.059363      0.167373      0.078764
     18.01110     15.84358     13.74226         0.694304      0.810788      0.424174
     19.77530     16.62075     15.08025         0.154904     -0.085001      0.139989
     18.72811      0.36866     14.08622         0.024849     -0.215452      0.021247
     19.70375      0.94654     14.95581        -0.151269     -0.220247     -0.026042
     19.64600      2.31607     15.23673        -0.064114      0.080294     -0.026289
     17.79338      1.25752     13.48595         0.001687     -0.028077      0.077721
     17.78418      2.63829     13.73452         0.023530     -0.156539     -0.039216
     18.71457      3.15785     14.62793         0.052268      0.006008     -0.011748
     18.93755      4.56754     15.08467         0.242702     -0.514614      0.115099
     20.43307      3.14628     16.20216        -0.034836      0.176825      0.090661
     20.63545      5.67954     16.65263        -0.337107     -0.194100     -0.069774
      0.68258      5.63664     17.13312        -0.029504      0.087442      0.191336
      1.29326      6.79118     17.61932         0.504884      0.021495      0.103637
     19.97836      6.90680     16.83373         0.478121      0.014313      0.361266
     20.57935      8.04833     17.43646        -0.256161     -0.122744     -0.095008
      0.71165      8.05940     17.82043         0.325798      0.338033      0.147989
      1.59976      9.21533     18.44187        -0.001783      0.051842     -0.190756
      2.95591      9.15569     18.95785        -0.262888     -0.269491      0.054349
      3.61295     10.28227     19.53019        -0.005412      0.309304     -0.064747
      1.08933     10.52901     18.58885        -0.200463      0.090345     -0.120543
      1.74736     11.64552     19.12942         0.358145      0.016717      0.108797
      3.05948     11.57096     19.64557        -0.712473     -0.309418     -0.380254
      4.02604      8.04393     18.87190         0.460759      0.384624      0.103282
     19.53792      9.13303     17.70715        -0.196035      0.086597     -0.014138
      1.95684     18.19547     14.11672        -0.003496      0.197430      0.093724
      1.22955     19.13205     13.38022        -0.008732     -0.044809      0.022166
      1.31910     20.50390     13.64370        -0.072561      0.104711     -0.000067
      2.85012     18.63164     15.09647        -0.109432      0.059798      0.028875
      2.94931     20.00815     15.36101         0.070200     -0.121881     -0.071689
      2.17779     20.98314     14.67129        -0.163905      0.201619      0.275125
      1.63801     16.81820     13.63450        -0.266193      1.049484     -0.220150
      0.45750     18.37741     12.33742         0.118467     -0.061686      0.045610
      2.31002      1.20195     15.00798        -0.283215     -0.090076     -0.077199
      1.69122      2.21617     14.21573         0.086520     -0.113096      0.035056
      1.94624      3.56216     14.50136         0.035718     -0.159012     -0.051052
      3.08492      1.64414     16.11547        -0.086985      0.124528     -0.113759
      3.42838      2.99570     16.31433        -0.097675     -0.201881     -0.148798
      2.88350      3.95302     15.46368        -0.150726     -0.133885     -0.164931
      3.12098      5.41836     15.29258         0.491410      0.364595      0.216443
      1.39202      4.78986     13.87061        -0.091233      0.152861     -0.131901
      1.62430      7.28507     14.40033         0.018051      0.134809      0.062109
      0.32715      7.56495     13.97075         0.105574      0.122016     -0.003374
     21.03295      8.83669     14.10385        -0.029821      0.280845     -0.067305
      2.34508      8.40465     14.86421         0.058357      0.110653     -0.090619
      1.80111      9.71476     14.96886        -0.147591      0.095864     -0.087186
      0.41776     10.01212     14.57125        -0.121720     -0.001238     -0.006085
     20.87677     11.37053     14.55944         0.093031     -0.037606      0.000414
     19.50004     11.67013     14.14661         0.283850     -0.115975      0.152911
     18.97346     12.98061     14.20981        -0.097969     -0.098775     -0.051639
      0.28134     12.55601     14.95041         0.006448     -0.212296      0.100607
     -0.25461     13.84413     15.05115        -0.181711     -0.090521      0.020409
     19.69005     14.10737     14.64843        -0.147769     -0.133158     -0.056579
     18.44919     10.68831     13.62544        -0.044374     -0.099638      0.076618
      2.89601     10.69362     15.44115        -0.279504      0.104015     -0.179983
     16.13414      0.41636      5.23577         0.091236      0.070836     -0.005029
     16.87307      0.84132      6.33880        -0.005381     -0.072757     -0.041777
     16.93257      2.19720      6.71125        -0.072889      0.154172     -0.044460
     15.39660      1.32550      4.50038         0.127239      0.119301     -0.018598
     15.45654      2.67510      4.85068         0.106844      0.046826      0.106291
     16.22308      3.16889      5.93326         0.018454      0.089961      0.025816
     16.39931     20.24031      4.93871         0.328350      0.364170      0.439714
     17.57100     20.87945      6.86968        -0.033298      0.064935     -0.269514
     16.24934      4.67769      6.16307        -0.002996     -0.262220      0.110851
     17.02196      5.30391      7.17585        -0.159350     -0.138158      0.093471
     16.94449      6.69484      7.35072        -0.079451      0.076479      0.096050
     15.45435      5.53668      5.35430         0.055365     -0.063852      0.063612
     15.44838      6.92841      5.48907         0.129200     -0.103515      0.048593
     16.21418      7.51261      6.49220         0.042355     -0.080095      0.061562
     16.44461      8.94955      6.84735        -0.024910     -0.073970     -0.074624
     17.50975      7.57716      8.41973         0.016131     -0.070823      0.029018
     17.74984     10.11486      8.72727        -0.107208     -0.049642     -0.034325
     18.81334     10.01299      9.62494        -0.248569     -0.005674     -0.003566
     19.38409     11.14997     10.18338         0.046402      0.285429      0.242984
     17.28383     11.42647      8.51004        -0.008145     -0.062582      0.066264
     17.82187     12.56628      9.14866         0.296140      0.257976      0.212335
     18.95986     12.48328     10.04927        -0.012622     -0.135818     -0.018993
     19.75116     13.57467     10.81404        -0.171078      0.084214     -0.120499
     21.03710     13.45865     11.47558         0.067811      0.209173      0.013823
      0.42634     14.59194     12.01812        -0.007519     -0.092433     -0.151216
     19.24539     14.89978     10.89489         0.085736     -0.043567     -0.014370
     19.92703     16.03141     11.37716         0.088227     -0.285383     -0.006601
     21.18545     15.89790     11.97996         0.010683     -0.235140      0.015029
      0.77062     12.29039     11.55574         0.020111      0.142079     -0.153824
     17.04219     13.82833      8.81283        -0.047618     -0.028019      0.053021
     20.38379      1.35292      6.12210        -0.022999      0.209211      0.150993
     19.80607      2.40222      5.39917        -0.095673     -0.054795      0.007171
     19.79812      3.70847      5.85688        -0.156391      0.146143     -0.034536
     20.90654      1.60383      7.38536        -0.021193     -0.004258      0.126389
     20.82595      2.90869      7.89357        -0.106101      0.009373      0.034920
     20.29912      4.00050      7.14913        -0.000425      0.182356      0.218042
     20.24176      0.09717      5.33505        -0.250655      0.254897     -0.094002
     19.17096      1.83785      4.16879        -0.053565      0.268199      0.022316
     20.34263      5.42421      7.65187        -0.008901     -0.047765      0.095597
     19.95938      6.47668      6.79388        -0.092731      0.061707      0.075221
     20.24496      7.80357      7.11945         0.024319     -0.173809      0.194167
     -0.42106      5.80038      8.92993        -0.034172      0.131508     -0.052954
     -0.04478      7.12556      9.21990        -0.150075     -0.034466     -0.175969
     20.94495      8.12568      8.27845        -0.180621     -0.317725     -0.172698
     -0.00137      9.56930      8.22239         0.984579      1.042570      1.212760
     19.96988      9.05928      6.37859        -0.588229      0.242671     -0.814752
     20.42382     11.53541      6.77919        -0.055209      0.066098      0.067769
     19.51378     11.94735      5.79334         0.106390     -0.094515      0.123838
     19.21715     13.29403      5.61214        -0.034376      0.337170     -0.050414
     21.05965     12.58903      7.46763        -0.059260     -0.037030     -0.112261
     20.80670     13.95667      7.22893        -0.136668      0.202980     -0.212837
     19.80982     14.40171      6.27162        -0.007296      0.022713     -0.060420
     19.30896     15.83541      5.97633        -0.023901      0.101620      0.032110
     18.49150     16.29972      4.87107         0.178237     -0.236672      0.161524
     17.96727     17.61159      4.83555         0.046170     -0.013615     -0.006800
     19.54849     16.88856      6.90363         0.145775     -0.321923      0.037844
     18.94050     18.14312      6.92305         0.077425     -0.026165      0.010439
     18.07769     18.53710      5.89439         0.010206     -0.018743     -0.140955
     17.94356     15.42604      3.73903         0.085761     -0.041933     -0.072713
      0.51800     14.85774      7.98238        -0.031294      0.137413     -0.198588
     12.70195      5.22180      4.07945        -0.010113     -0.069924     -0.220520
     13.17504      3.77552     20.54319        -0.006359     -0.031586     -0.005274
     12.91046      6.15662     21.08981         0.112249     -0.200220      0.103832
     12.82420      7.41148      4.42916         0.050333      0.084047     -0.173298
     13.16860      7.88797      0.11946         0.060299      0.128499      0.109552
     13.53449     10.29105      0.38537         0.054148      0.080542     -0.049068
     13.25368     13.45726      8.64745         0.064745     -0.044324     -0.262085
     13.28606     11.57742      7.18940        -0.221029     -0.164774      0.154530
     14.38599     14.11611      3.94030        -0.102806     -0.030440     -0.098459
     12.93325     17.15201     11.45669        -0.074124      0.007110      0.132995
     15.06669     17.48171      7.09009        -0.097235     -0.141290      0.214837
     14.92760     19.42864      8.47470         0.175779     -0.206323     -0.089504
      9.86977      6.88850      3.19145        -0.101893     -0.192466      0.069004
      9.81330      3.52726      6.90470         0.120829      0.010590     -0.075318
      9.87391      5.90148      7.43859         0.199816     -0.023641     -0.165872
     10.08466      8.86876      3.71973         0.010901      0.136308      0.250844
      9.82891      7.69475      7.90945         0.075233      0.139843     -0.155355
      9.92199     10.04890      8.59456         0.123547      0.007268      0.085694
     12.14312     15.83881      2.41987        -0.063368     -0.065343      0.038066
     11.36416     13.66029      2.92632         0.163058      0.029468     -0.033049
     10.27206     14.98857      6.83281         0.074323     -0.025869      0.131161
     13.32937     20.27674      1.19811        -0.038626      0.029009     -0.105500
     11.58829     19.21375      5.57907         0.053392      0.128828     -0.028802
     12.06244      0.19204      5.09441        -0.174507      0.059508      0.062486
     10.25867      9.13986     17.39643         0.005847     -0.052828     -0.076827
     10.43235      7.74983     12.57823         0.002769     -0.107060     -0.004071
     10.27589     10.11836     13.14793         0.099818     -0.220427      0.171646
     10.32786     11.38355     17.77449         0.136783      0.085271     -0.077369
     10.53113     11.92287     13.44920         0.043425      0.037627      0.203351
     10.76983     14.33162     13.74131         0.030000     -0.047533     -0.011195
      9.40787     17.74130      0.37298         0.139232     -0.069169     -0.233039
      9.86256     15.79528     20.37019        -0.209477      0.001722      0.021015
     11.58321     18.25089     17.31659         0.032808     -0.181067     -0.147981
      8.89672      0.06229      3.29819         0.002316      0.122125      0.058640
     11.14968      0.60061     20.28419        -0.143313      0.097494     -0.022200
     10.48261      2.55415      0.21331         0.211892      0.143307     -0.043960
      7.06294     10.70208     15.88148         0.033228     -0.310930      0.111802
      7.29440      7.31641     19.59369         0.128067      0.025844     -0.091923
      7.33706      9.70558     20.11222         0.159701     -0.090501     -0.232656
      7.34844     12.77659     16.45183        -0.117986      0.090930      0.202083
      7.16910     11.44156     20.60780         0.096387      0.160726     -0.187204
      7.27123     13.74844      0.11281         0.027208      0.006981     -0.006248
      9.27284     19.91013     15.82022         0.037409     -0.106738      0.014204
      8.61951     17.67619     16.14123         0.072949      0.061244      0.080611
      6.60933     18.84894     19.74257        -0.013044     -0.007232      0.024098
     10.19354      2.88509     14.38633         0.187474      0.187938     -0.034119
      8.19291      1.98800     18.73894         0.047934      0.094536      0.133048
      9.10173      4.15183     18.33378        -0.176779     -0.113674     -0.188878
      6.79678     12.99138      8.81675        -0.006973     -0.142274     -0.121132
      7.40810     11.44652      4.08349        -0.107629     -0.053452     -0.046437
      7.59404     13.81869      4.62257        -0.246456     -0.198249      0.163703
      6.92953     15.17410      9.16777         0.056585      0.150606     -0.098756
      7.75464     15.56278      4.91655        -0.293446      0.210142      0.214119
      7.78078     17.98346      5.10423        -0.048503      0.075564      0.070525
      6.62728      0.33176     13.01842         0.063933     -0.060409     -0.269142
      6.83353     19.64158     11.76629         0.025924      0.000189     -0.097799
      8.51920      0.68656      8.56592         0.041931     -0.108779     -0.151765
      6.24531      3.87568     15.87970         0.017710      0.082003      0.051990
      8.52395      4.43135     11.61952        -0.377020     -0.048699      0.151864
      8.03128      6.37504     12.91889         0.133131     -0.111266     -0.039450
      3.64614     14.37611      8.93289         0.238190     -0.109434      0.031079
      4.66282     11.35603     12.77861         0.164168      0.014002     -0.117363
      4.71867     13.77874     13.10856         0.044758     -0.056263     -0.254620
      3.80073     16.45688      9.19145        -0.027324      0.023553      0.083757
      5.01854     15.63047     13.29758        -0.004764      0.110534     -0.125785
      5.13153     18.02450     13.75794         0.017604      0.081886      0.062871
      5.54412      2.36224      7.48709         0.029365     -0.063869      0.228026
      4.77104      0.23479      8.00072         0.119571      0.058697     -0.022560
      3.78668      1.60202     11.90905         0.072779     -0.110473      0.152946
      7.19650      6.46119      6.10208        -0.055418      0.165322     -0.221344
      5.58858      5.86738     10.63554         0.212209      0.076560     -0.099563
      6.10971      8.04056      9.92848         0.003231     -0.153910      0.045459
      2.04995     16.37995      3.31085        -0.029537     -0.089143     -0.001970
      0.15200     14.79912     20.19601        -0.051884     -0.107753      0.184660
      0.30744     17.15750     20.66252        -0.003327     -0.251772      0.160737
      1.72619     18.72910      3.69873        -0.052715      0.114001     -0.184771
      0.22561     18.82056     20.85736        -0.016138      0.052019      0.076204
     -0.07184     -0.04406     20.96954        -0.080319      0.038454     -0.017158
      2.52300      3.99541      6.97428         0.021156      0.041703     -0.210632
      2.29832      2.05416      5.81070         0.080725      0.056268      0.000759
      0.36662      4.22912      2.67815        -0.119494     -0.119368     -0.176189
      3.28743      7.64218      9.57950         0.115701      0.100540      0.023150
      1.65816      8.27191      5.02845         0.080035      0.070225     -0.008337
      2.43209     10.16951      6.27122         0.049699     -0.027765     -0.161911
      3.61122     17.07276     20.61670         0.019793     -0.175826      0.054719
      5.85411     13.87326      2.49948        -0.069342     -0.037560     -0.022521
      5.88505     16.25903      2.97584        -0.177003     -0.216773     -0.219731
      3.54984     19.36048      0.17332         0.102159      0.057624      0.024716
      5.95707     17.87894      3.47736        -0.138312      0.182204      0.025211
      6.26510     20.12499      4.31954        -0.099691      0.107466      0.124462
      2.04382      5.61108      0.37887         0.257819     -0.012875     -0.158834
      2.52938      3.33332      0.39935         0.013976      0.021384     -0.040704
      5.18725      3.94122      3.70292        -0.001536      0.094640     -0.024735
      0.90929     10.21458      0.37088        -0.134971      0.070256      0.117136
      4.69728      8.81967      3.03280        -0.045804     -0.044546     -0.135572
      3.87497     11.00020      3.32618         0.168380      0.009608      0.024750
     20.20022     19.50353     15.24331        -0.281321     -0.134754     -0.030095
     16.56964     17.88063     12.17446         0.027012     -0.005078     -0.016216
     17.05518     20.28754     12.32623         0.136799     -0.170191      0.155637
     20.50324      0.33346     15.39461        -0.291926      0.156164      0.065003
     17.01950      0.86836     12.81337         0.182634      0.067016      0.162006
     17.04914      3.28133     13.25027        -0.016889      0.040536     -0.014781
      2.33511      6.64798     17.89340        -0.505796      0.069703     -0.190565
      1.23631      4.70460     17.16349         0.046962     -0.042786     -0.057677
     18.94605      6.98295     16.56103        -0.453997      0.020950     -0.224330
      4.61695     10.10170     19.88683         0.089345      0.239119      0.120392
      0.07845     10.72754     18.24852         0.113389      0.052060      0.050835
      1.22180     12.59575     19.16697        -0.149215     -0.034736     -0.129481
      0.72038     21.20243     13.05254         0.032997     -0.099320     -0.011863
      3.48869     17.90754     15.61324        -0.133955      0.128235      0.084418
      3.71163     20.32537     16.08208        -0.227258     -0.024355     -0.073222
      1.04818      1.96196     13.36022         0.138112      0.111068      0.254373
      3.52269      0.92276     16.81481        -0.130028      0.090966     -0.174602
      4.14962      3.25543     17.08759        -0.089074      0.089041      0.113717
     20.00006      8.88372     13.79308         0.036187      0.051069      0.028266
     21.02296      6.76709     13.51045        -0.453114     -0.049584      0.026784
      3.39313      8.27587     15.12632        -0.178057     -0.099187      0.093486
     17.95302     13.13201     13.86638         0.082429     -0.024738      0.035298
      1.33635     12.49658     15.16494        -0.030921      0.087815      0.160015
      0.36939     14.63631     15.43369         0.269627      0.161931     -0.008417
     17.56878      2.51126      7.54850        -0.179956     -0.152932     -0.073279
     14.81629      0.99617      3.64529         0.138474     -0.037378     -0.045749
     14.89551      3.37975      4.23550         0.166982     -0.167082      0.062146
     17.70067      4.70521      7.79246        -0.257608      0.167222      0.124477
     14.80825      5.11158      4.58119         0.197968      0.132141      0.139670
     14.83035      7.53369      4.83485         0.131256      0.057466     -0.062145
     20.23552     10.96199     10.80943        -0.148630     -0.134270     -0.024956
     19.20171      9.04413      9.91252         0.032868     -0.071701      0.038025
     16.47453     11.58106      7.80870        -0.096995     -0.035666     -0.038348
      1.40403     14.42677     12.45304        -0.139782      0.205774      0.061240
     18.23446     15.07713     10.54798         0.085358      0.095268     -0.005580
     19.50065     17.01461     11.23149        -0.273532      0.147007      0.073692
     19.39261      4.47658      5.19036        -0.030606     -0.113953      0.186563
      0.09706      0.79508      7.96920        -0.061111      0.106672      0.015671
     -0.04474      3.07395      8.89787        -0.020037      0.064441     -0.012830
     19.47773      6.25751      5.84888        -0.087644      0.055394      0.080059
     -0.26637      5.04791      9.70878         0.036879      0.116523     -0.154651
      0.49755      7.34364     10.13884        -0.168504      0.073729      0.164781
     18.41836     13.46616      4.90930         0.044222     -0.024505      0.009197
     19.01307     11.20858      5.17819        -0.152055      0.030464     -0.013291
      0.54366     12.35056      8.20972         0.095351     -0.159661      0.077010
     17.33941     17.85666      3.99027        -0.047159      0.128766     -0.083778
     20.24515     16.72041      7.71410        -0.248503      0.000482      0.002641
     19.15890     18.81914      7.74330         0.052955     -0.012098      0.073949
     13.86614     19.27881     10.75961         0.095269      0.066319     -0.083235
     19.16566     21.07122      3.49976         0.060254      0.031749      0.023111
     12.81667      1.21781      2.63143         0.060061     -0.185249      0.199613
     13.64819     11.55132      4.47428        -0.052749     -0.104914      0.652247
      9.52108      2.61862      2.80757         0.121404     -0.070609     -0.323821
     10.48159     12.75001      5.34865        -0.053909      0.133230     -0.369958
     10.07965      5.12378     15.91497         0.090134     -0.103269      0.268793
     10.77722     15.64625     17.78949        -0.028343     -0.239107      0.273487
      7.03133      6.41721     15.46913        -0.164574     -0.204069     -0.082449
      7.30676     16.63229     18.27455        -0.006955      0.298764     -0.310653
      6.75751      8.91199      7.43041        -0.017437     -0.145371      0.317228
      7.56016     19.41951      9.10374        -0.069525     -0.047967      0.341065
      3.50755     10.16463      8.85451        -0.169975      0.025516     -0.316595
      4.14414     20.52911     10.48339        -0.065696      0.090604     -0.267073
      1.75354     12.23552      1.88966         0.236669      0.233414      0.023196
      1.19889      1.70343      3.33900         0.168128      0.015879      0.373174
      3.69098     12.71554     20.29184         0.009998      0.365237      0.142167
      4.33694      1.92856      2.03395        -0.233093     -0.117822     -0.179525
     19.13734     15.44270     14.55406         0.320981     -0.040323      0.194043
     20.01774      4.52511     16.01491         0.334808      0.011920      0.384852
      0.65581     16.97349     12.60561        -0.363705      0.060156     -0.274465
      2.08454      5.91986     14.45138        -0.304867     -0.007861     -0.270267
     17.38117     19.80696      5.90069         0.043296     -0.115765      0.039099
     17.21173      8.94822      8.05444         0.228026      0.084876      0.203586
     19.47660      0.47381      4.21000         0.015973     -0.119130     -0.167325
     20.62659     10.13696      7.07970        -0.411317     -0.136529     -0.345026
     12.42531      2.29016      4.69723        -0.080227      0.069477      0.120580
     13.64690      1.01974      0.41283         0.156263     -0.476707     -0.443265
     13.23573      9.79166      6.03728         0.032184      0.135956     -0.262217
     13.89883     12.58692      2.36132         0.151288      0.554436     -0.310518
      9.57948      4.44708      1.31273         0.013985      0.036954     -0.116078
      9.30039      1.46108      4.86480         0.190176      0.364101     -0.230130
     10.30541     11.76433      3.19832         0.008876     -0.019128      0.152996
     10.14671     12.92795      7.68007        -0.041214      0.643032      0.923996
      9.99758      6.16914     18.01579        -0.104269     -0.029817      2.005916
     10.85959      4.89871     13.69679         0.639531     -1.291013     -1.744718
     10.58800     13.90683     19.39883         0.013049     -0.030098      0.015147
     11.05292     16.64126     15.66668         0.034886      0.369234     -0.288000
      6.91068      8.27157     14.00854         0.054633      0.059108     -0.317432
      6.58026      5.29943     17.51312         0.120102     -0.446139      0.214103
      7.40712     15.75333     16.07208        -0.066416      0.065858     -0.236284
      7.06021     16.65981     20.61147        -0.040381      0.585557      0.896516
      6.75313     10.04883      9.51468         0.055873     -0.043578      0.204568
      7.10006      8.68563      5.09980        -0.029840     -0.129699      0.092388
      7.40710     17.69488     10.73298         0.035095      0.068398      0.119599
      7.75624     20.37467      6.94183        -0.144420     -0.096318      0.238716
      3.14687     11.94748      7.35070         0.043274      0.005238     -0.170142
      3.85275      9.09389     10.95415         0.044523     -0.175291      0.121295
      3.99760     19.38747      8.39988        -0.041673      0.092738      0.521867
      4.29980     20.76856     12.81029         0.083889     -0.248389     -0.367152
      2.95153     13.33907      3.63434        -0.055248     -0.109377      0.053428
      0.15510     12.08422      0.12908         0.118331      0.193816      0.261026
      2.24398      0.18778      4.85454         0.016495      0.041807     -0.038150
      0.08107      2.43512      1.38615         0.094749     -0.121546      0.087989
      2.99669     14.51656     18.90726        -0.381528      0.164889     -0.616716
      5.01487     11.67711      0.69841         0.035479     -0.304528      0.016166
      3.18211      1.12215      0.10883        -0.044527      0.094128     -0.079843
      5.82356      1.79833      3.88466        -0.170354     -0.121927     -0.315138
     -0.55855     16.62945     15.88593        -0.232565      0.005295     -0.187518
     17.16845     15.12098     13.27243        -0.640567     -0.688568     -0.362445
     -0.03664      2.74736     17.04148         0.063755      0.114210      0.017950
     18.33625      5.56295     14.73937        -0.284033      0.490377     -0.176822
     21.09403     18.82106     11.38824        -0.206032      0.051409      0.001969
      2.12229     15.77465     14.00619         0.370591     -0.794315      0.422574
      0.50864      4.84973     13.02617         0.006576      0.008121      0.081449
      4.06279      6.09101     15.70229        -0.500075     -0.266329      0.070892
     18.17929     20.78309      7.91660         0.241241     -0.080454      0.343865
     15.91549     19.58246      4.03915         0.008330     -0.309494     -0.277206
     18.06869      7.21012      9.43884        -0.079438      0.101192      0.144669
     16.09819      9.93740      6.21750         0.089277     -0.066927      0.141430
     18.48691      2.40100      3.32424         0.126922     -0.105332      0.039417
     20.65379     20.22773      5.54384         0.107421     -0.135005      0.124201
     19.27947      9.17904      5.36583         0.332453      0.005616      0.695332
      0.70723     10.20143      9.01918        -0.925724     -0.770497     -0.862310
     14.01476     17.48571      5.32367        -0.123832     -0.077011      0.152215
     15.93274     16.50362      5.65967        -0.190887     -0.075174      0.011026
     14.80326     16.16350      3.81195        -0.061882      0.045717      0.133799
     11.93072     15.37294     11.49464        -0.089580     -0.011683      0.049043
     11.43289     14.58080      9.53386         0.041707     -0.103489      0.013797
     13.22791     13.87361     10.62598        -0.009132      0.050507     -0.093585
     11.95279     17.93834      7.25083        -0.011030      0.091129     -0.145850
     10.00954     18.53080      6.45039        -0.041951     -0.021217     -0.074094
     10.17522     16.82198      7.76526        -0.058002     -0.197392      0.234690
     13.22693     18.54502      0.11214         0.102694      0.021335     -0.154412
     14.13700     17.13117      1.48492        -0.012102     -0.159864      0.049049
     12.04824     16.89432      0.84855         0.031752     -0.036809      0.057382
     10.89973      0.34588     18.34474         0.032889     -0.116795      0.191195
     12.83842     -0.43840     19.01022        -0.018071      0.007892      0.106174
     11.96907     20.21735     17.09604         0.167703     -0.011184      0.078956
      8.57220     19.35113      3.52685         0.010757      0.002700     -0.060902
      7.73571     18.80983      1.56631         0.241413     -0.155191     -0.054331
      9.61223     17.94066      2.29445         0.144523      0.028730     -0.129903
      7.66206      0.83094     20.39315        -0.005251     -0.092916     -0.289364
      5.90863      1.01496     19.08026         0.073249      0.080920     -0.235214
      6.04558     20.66518     20.53257        -0.127676     -0.079563      0.037487
      9.96660      1.24043     13.30797        -0.034720     -0.065304     -0.124731
     11.03913      0.00061     14.70987         0.446708     -0.512621      0.215500
      9.01350     20.73163     14.07865         0.048055     -0.303206     -0.092354
      8.45619      4.05177      9.62777         0.091100     -0.316480      0.107018
     10.17687      3.04571     10.55011        -0.125892     -0.000382      0.132712
      9.49959      2.48445      8.55953         0.256587     -0.104844     -0.066070
      6.05604      1.88065     16.16922         0.043722      0.167430      0.145849
      5.05780      1.31843     14.33518        -0.054095     -0.032252     -0.225217
      6.97064      0.47209     14.85258         0.020585     -0.001828     -0.094311
      5.04929      5.08923     12.14347        -0.124257     -0.068934     -0.252297
      3.02981      4.34417     11.75709        -0.132600     -0.139656      0.019265
      4.40030      3.26550     13.01908        -0.041523     -0.257184      0.230311
      7.18740      4.48205      5.29623         0.177058      0.090650     -0.215211
      7.39314      2.93726      6.79680        -0.084191      0.072858      0.114934
      5.41157      3.48273      6.01213        -0.046833      0.068543      0.100019
     -0.57710      7.24467      4.48609         0.314880     -0.162263     -0.185098
      1.05799      7.45847      3.11958         0.108832      0.001277      0.020055
     -0.58705      6.05665      2.69380        -0.095590      0.008540      0.085183
      3.24317      5.70743      9.85375         0.112584     -0.093194      0.273582
      1.83053      4.49514      8.79137        -0.072126      0.121303      0.019272
      3.80657      4.77102      7.95247         0.242047     -0.122089     -0.009129
      6.10338      6.97566      3.51890         0.028450      0.010985      0.042498
      4.17115      7.51155      4.46149        -0.032572     -0.085697     -0.018704
      5.12689      5.71985      5.05718        -0.133909      0.084550     -0.237564
      0.21512      8.63685     20.73210        -0.409058     -0.083577     -0.180197
      1.71015      7.14284     -1.02740         0.355403     -0.110517      0.428325
      0.40821      6.85328      0.66720        -0.102944      0.060334     -0.039035
     19.40809      9.38872     19.04362         0.153107      0.086423     -0.019688
     19.78027     10.34408     17.08952         0.026931     -0.218936      0.101588
     18.28438      8.78204     17.28042         0.094457      0.059959      0.108098
      4.87191      8.11933     19.96559        -0.110709      0.038537     -0.091956
      3.82991      6.70266     18.79756        -0.348079      0.044275     -0.025194
      4.74189      8.36939     17.73920        -0.190067     -0.327744      0.264206
      3.37778     11.43528     14.38789        -0.187260      0.155592     -0.014812
      2.56410     11.60814     16.40414        -0.189014     -0.164415     -0.089199
      3.98062     10.06319     15.94928         0.269859     -0.153299      0.021744
     17.32808     11.30867     13.15806        -0.098235      0.030527      0.032306
     18.86065      9.90615     12.57208         0.050384      0.051437      0.128331
     18.01961      9.82619     14.59587         0.065201     -0.078114      0.124174
     16.21990     14.19284      9.86033         0.146599     -0.004738     -0.067470
     17.78462     14.93766      8.50330         0.083944     -0.171009      0.044463
     16.23404     13.64712      7.73494         0.070356      0.052072     -0.032213
      1.77463     12.52618     12.44574         0.101310      0.026208      0.207065
      0.34804     11.04450     11.91871        -0.152702     -0.050771     -0.070569
      1.38178     12.16487     10.35059        -0.136711     -0.083326     -0.075684
      1.24640     15.64178      7.12529        -0.059943      0.108384     -0.166102
     21.24620     15.71827      8.91930        -0.084526     -0.107652     -0.178505
      1.41365     14.14389      8.69818         0.335045     -0.043230     -0.010856
     17.31874     16.14661      2.77469         0.150850      0.108735     -0.197988
     18.87549     14.66271      3.07910         0.190515      0.205021      0.143690
     16.98625     14.53165      4.19352         0.158449      0.078864     -0.123622
 -----------------------------------------------------------------------------------
    total drift:                                0.022166      0.000929      0.008610


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4568.5473466603 eV

  energy  without entropy=    -4568.6968541585  energy(sigma->0) =    -4568.59718249
 
 d Force = 0.2101037E-01[-0.739E-03, 0.428E-01]  d Energy = 0.2110293E-01-0.926E-04
 d Force = 0.1821626E+03[ 0.182E+03, 0.182E+03]  d Ewald  = 0.1821626E+03-0.447E-04


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   54(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.1602649E+00  (-0.4339854E+02)
 number of electron    2498.0000092 magnetization 
 augmentation part      162.6255485 magnetization 

  free energy =  -0.456838708494E+04  energy without entropy=  -0.456853752931E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   54(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) :-0.9355497E+00  (-0.1137882E+01)
 number of electron    2498.0000092 magnetization 
 augmentation part      162.6533259 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8567
  0.8567

  free energy =  -0.456932263464E+04  energy without entropy=  -0.456947194013E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   54(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3736
 total energy-change (2. order) : 0.3304720E-01  (-0.2437766E-01)
 number of electron    2498.0000092 magnetization 
 augmentation part      162.6286726 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3906
  1.1215  1.6596

  free energy =  -0.456928958744E+04  energy without entropy=  -0.456943948844E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   54(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) :-0.2477944E-02  (-0.2003131E-01)
 number of electron    2498.0000092 magnetization 
 augmentation part      162.5845226 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2832
  2.1849  0.8324  0.8324

  free energy =  -0.456929206538E+04  energy without entropy=  -0.456944167948E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   54(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3672
 total energy-change (2. order) :-0.1797478E-02  (-0.3969516E-02)
 number of electron    2498.0000092 magnetization 
 augmentation part      162.5946771 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3350
  2.3890  1.0225  1.0225  0.9061

  free energy =  -0.456929386286E+04  energy without entropy=  -0.456944381396E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   54(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) : 0.1960921E-02  (-0.2539707E-02)
 number of electron    2498.0000092 magnetization 
 augmentation part      162.6031614 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2792
  2.3784  1.0170  1.0170  0.9918  0.9918

  free energy =  -0.456929190194E+04  energy without entropy=  -0.456944162501E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   54(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) :-0.1453163E-03  (-0.4121942E-03)
 number of electron    2498.0000092 magnetization 
 augmentation part      162.6040660 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2522
  2.4054  0.9897  0.9897  1.1929  1.1929  0.7427

  free energy =  -0.456929204726E+04  energy without entropy=  -0.456944213323E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   54(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) : 0.5175886E-04  (-0.6505407E-04)
 number of electron    2498.0000092 magnetization 
 augmentation part      162.6063956 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2188
  2.4555  1.0609  1.0609  1.2309  1.2309  0.7762  0.7163

  free energy =  -0.456929199550E+04  energy without entropy=  -0.456944182003E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   54(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) :-0.4454353E-04  (-0.3342680E-04)
 number of electron    2498.0000092 magnetization 
 augmentation part      162.6050361 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2294
  2.5102  1.6111  1.0274  1.0274  1.1342  0.9603  0.9603  0.6044

  free energy =  -0.456929204004E+04  energy without entropy=  -0.456944196058E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   54(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3232
 total energy-change (2. order) :-0.3831013E-04  (-0.4316119E-05)
 number of electron    2498.0000092 magnetization 
 augmentation part      162.6047687 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2368
  2.6004  1.8512  1.0604  1.0604  1.2196  0.9367  0.9367  0.8736  0.5925

  free energy =  -0.456929207835E+04  energy without entropy=  -0.456944197917E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   54(  11)  ---------------------------------------



 eigenvalue-minimisations  :  2664
 total energy-change (2. order) :-0.3498618E-04  (-0.2218363E-05)
 number of electron    2498.0000092 magnetization 
 augmentation part      162.6045749 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2383
  2.6192  1.8713  1.4215  1.0286  1.0286  0.9733  0.9733  0.9345  0.9339  0.5994

  free energy =  -0.456929211334E+04  energy without entropy=  -0.456944201079E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   54(  12)  ---------------------------------------



 eigenvalue-minimisations  :  2248
 total energy-change (2. order) :-0.2925395E-04  (-0.4119525E-06)
 number of electron    2498.0000092 magnetization 
 augmentation part      162.6046537 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2923
  2.6676  2.3727  1.5326  1.0459  1.0459  1.2728  0.9647  0.9647  0.8724  0.8724
  0.6038

  free energy =  -0.456929214259E+04  energy without entropy=  -0.456944204808E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   54(  13)  ---------------------------------------



 eigenvalue-minimisations  :  2304
 total energy-change (2. order) :-0.3251262E-04  (-0.4762494E-06)
 number of electron    2498.0000092 magnetization 
 augmentation part      162.6047263 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3048
  2.9974  2.4977  1.5215  1.0393  1.0393  1.3256  0.9541  0.9541  0.9673  0.9673
  0.7907  0.6034

  free energy =  -0.456929217510E+04  energy without entropy=  -0.456944207622E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   54(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2272
 total energy-change (2. order) :-0.1485375E-04  (-0.2915471E-06)
 number of electron    2498.0000092 magnetization 
 augmentation part      162.6046538 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3464
  3.5427  2.5473  1.5312  1.5312  1.0449  1.0449  1.1252  1.1252  0.9326  0.9326
  0.8316  0.6059  0.7081

  free energy =  -0.456929218996E+04  energy without entropy=  -0.456944209150E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   54(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2232
 total energy-change (2. order) :-0.8839619E-05  (-0.1383533E-06)
 number of electron    2498.0000092 magnetization 
 augmentation part      162.6046538 magnetization 

  free energy =  -0.456929219880E+04  energy without entropy=  -0.456944209878E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0500       2 -56.1418       3 -56.0762       4 -55.8328       5 -55.8345
       6 -56.3086       7 -58.1505       8 -58.2343       9 -56.2800      10 -55.9713
      11 -56.0269      12 -55.8072      13 -55.8118      14 -56.0043      15 -58.0866
      16 -58.0819      17 -56.3641      18 -54.9868      19 -54.9066      20 -55.1182
      21 -55.6643      22 -55.6551      23 -55.7084      24 -55.6208      25 -54.9598
      26 -54.8199      27 -54.9501      28 -54.9258      29 -60.3866      30 -60.3674
      31 -55.6773      32 -55.8443      33 -55.7528      34 -55.3296      35 -55.5092
      36 -55.9966      37 -57.7985      38 -58.0280      39 -56.0796      40 -55.7973
      41 -55.9040      42 -55.7048      43 -55.7321      44 -55.8946      45 -58.0662
      46 -58.1385      47 -56.4490      48 -55.1383      49 -54.9674      50 -55.2684
      51 -55.9041      52 -55.8767      53 -55.7789      54 -55.7364      55 -55.0990
      56 -54.8519      57 -55.0091      58 -56.3678      59 -60.3441      60 -60.6068
      61 -55.9789      62 -56.0371      63 -55.9391      64 -55.7778      65 -55.7650
      66 -56.2436      67 -58.1004      68 -58.1328      69 -56.2546      70 -55.9200
      71 -56.0289      72 -55.7400      73 -55.6926      74 -55.9473      75 -58.0614
      76 -58.1457      77 -56.4617      78 -55.1168      79 -54.9977      80 -55.2509
      81 -55.8735      82 -55.8883      83 -55.9215      84 -55.9307      85 -55.2082
      86 -55.0845      87 -55.2103      88 -56.4548      89 -60.7037      90 -60.4374
      91 -55.7025      92 -55.8240      93 -55.7406      94 -55.4822      95 -55.5425
      96 -56.0377      97 -57.8425      98 -57.9789      99 -56.1676     100 -55.9019
     101 -56.0232     102 -55.6841     103 -55.7308     104 -55.9473     105 -58.0999
     106 -58.2144     107 -56.4958     108 -55.1762     109 -55.0026     110 -55.4200
     111 -55.9976     112 -55.9200     113 -55.7904     114 -55.7876     115 -55.0815
     116 -54.9287     117 -55.0309     118 -56.3684     119 -60.4216     120 -60.6217
     121 -55.9209     122 -55.9774     123 -55.8527     124 -55.7416     125 -55.7495
     126 -56.1543     127 -58.0329     128 -58.1627     129 -56.0901     130 -55.7643
     131 -55.8597     132 -55.6441     133 -55.5776     134 -55.7991     135 -57.8918
     136 -57.9951     137 -56.4513     138 -55.1125     139 -54.9319     140 -55.2651
     141 -55.8713     142 -55.8692     143 -55.9422     144 -55.9056     145 -55.1768
     146 -55.1297     147 -55.2212     148 -56.4348     149 -60.5795     150 -60.5817
     151 -55.5969     152 -55.6291     153 -55.4809     154 -55.3239     155 -55.4142
     156 -55.8686     157 -57.9314     158 -57.8202     159 -55.9624     160 -55.7128
     161 -55.8565     162 -55.4975     163 -55.5598     164 -55.7717     165 -57.9395
     166 -58.1048     167 -56.4453     168 -55.0742     169 -54.8716     170 -55.2934
     171 -55.9355     172 -55.9046     173 -55.8488     174 -55.7679     175 -55.3256
     176 -54.8333     177 -55.0527     178 -56.4811     179 -60.4699     180 -60.6352
     181 -55.9503     182 -56.1219     183 -55.9669     184 -55.7272     185 -55.7074
     186 -56.2471     187 -58.0330     188 -58.2067     189 -56.2545     190 -55.8966
     191 -56.0285     192 -55.7475     193 -55.7289     194 -55.9652     195 -58.0866
     196 -58.1801     197 -56.5264     198 -55.0910     199 -54.9703     200 -55.2912
     201 -55.9086     202 -55.9573     203 -55.9228     204 -55.8522     205 -55.1476
     206 -55.2353     207 -55.1829     208 -56.4610     209 -60.7378     210 -60.5236
     211 -55.9409     212 -56.0751     213 -55.9497     214 -55.7320     215 -55.6865
     216 -56.2128     217 -58.0990     218 -58.2239     219 -56.1043     220 -55.7948
     221 -55.8873     222 -55.5703     223 -55.4810     224 -55.8032     225 -57.9350
     226 -58.0831     227 -56.5358     228 -55.1210     229 -55.0473     230 -55.2576
     231 -55.7788     232 -55.9265     233 -55.9494     234 -55.7116     235 -55.0205
     236 -55.1091     237 -55.1992     238 -56.4575     239 -60.3660     240 -60.3899
     241 -55.9572     242 -56.0033     243 -55.8906     244 -55.7527     245 -55.7655
     246 -56.1945     247 -58.0615     248 -58.1237     249 -56.1869     250 -55.8720
     251 -55.9673     252 -55.7364     253 -55.7152     254 -55.8964     255 -57.9370
     256 -58.0544     257 -56.3458     258 -55.0536     259 -54.8419     260 -55.1791
     261 -55.7910     262 -55.8003     263 -55.8884     264 -55.9656     265 -55.3602
     266 -54.9930     267 -55.1686     268 -56.4468     269 -60.6357     270 -60.3888
     271 -55.9131     272 -55.9896     273 -55.8361     274 -55.7316     275 -55.6860
     276 -56.1058     277 -58.0988     278 -58.1357     279 -55.9806     280 -55.7080
     281 -55.7837     282 -55.5508     283 -55.5126     284 -55.8081     285 -57.9758
     286 -58.0402     287 -56.4046     288 -55.0088     289 -54.9470     290 -55.2526
     291 -55.8995     292 -55.8742     293 -55.8655     294 -55.8376     295 -55.1878
     296 -54.9559     297 -55.0589     298 -56.4095     299 -60.4122     300 -60.5716
     301 -55.8610     302 -56.0011     303 -55.9078     304 -55.5943     305 -55.6273
     306 -56.1256     307 -58.0442     308 -58.1988     309 -56.1408     310 -55.8242
     311 -55.9563     312 -55.6793     313 -55.6424     314 -55.8832     315 -57.9870
     316 -58.0581     317 -56.4208     318 -55.0338     319 -54.8287     320 -55.2457
     321 -55.8124     322 -55.7572     323 -55.8787     324 -55.8937     325 -55.1862
     326 -55.0882     327 -55.2220     328 -56.4444     329 -60.5994     330 -60.4095
     331 -55.7982     332 -55.8137     333 -55.7131     334 -55.6326     335 -55.6026
     336 -56.0669     337 -57.9739     338 -57.9123     339 -55.9337     340 -55.5909
     341 -55.7494     342 -55.5679     343 -55.5503     344 -55.7748     345 -57.9385
     346 -57.9714     347 -56.4605     348 -55.0155     349 -54.9509     350 -55.2404
     351 -55.8322     352 -55.8414     353 -55.7978     354 -55.7693     355 -55.2258
     356 -54.9076     357 -55.0177     358 -56.4373     359 -60.4560     360 -60.5452
     361 -39.1231     362 -38.8045     363 -38.9637     364 -39.0698     365 -39.0005
     366 -38.7699     367 -38.0824     368 -38.0886     369 -38.0699     370 -38.1168
     371 -38.1132     372 -38.1694     373 -38.7630     374 -38.2927     375 -38.7150
     376 -38.8385     377 -38.8352     378 -38.7680     379 -38.1403     380 -38.1233
     381 -38.3009     382 -38.0969     383 -38.2123     384 -38.0198     385 -38.9028
     386 -38.7848     387 -38.8540     388 -38.8699     389 -38.8300     390 -38.5666
     391 -38.1872     392 -38.2378     393 -38.2068     394 -38.1539     395 -38.2431
     396 -38.3406     397 -38.7239     398 -38.3941     399 -38.7202     400 -38.8882
     401 -38.7480     402 -38.7786     403 -38.2685     404 -38.1914     405 -38.4259
     406 -38.1036     407 -38.1069     408 -37.9254     409 -38.7759     410 -38.7608
     411 -38.9485     412 -38.7322     413 -38.8774     414 -38.6415     415 -38.2313
     416 -38.2463     417 -38.1945     418 -38.2239     419 -38.2230     420 -38.3136
     421 -38.5390     422 -38.2839     423 -38.5184     424 -38.7033     425 -38.5596
     426 -38.6403     427 -38.1702     428 -38.0832     429 -38.3982     430 -38.3145
     431 -38.0940     432 -38.0183     433 -38.8533     434 -38.7068     435 -38.9278
     436 -38.7344     437 -39.0141     438 -38.6578     439 -38.4727     440 -38.1127
     441 -38.1618     442 -38.2379     443 -38.3024     444 -38.1034     445 -38.8559
     446 -38.7669     447 -38.8452     448 -38.7598     449 -38.7859     450 -38.3992
     451 -38.1078     452 -38.0252     453 -38.1405     454 -38.0364     455 -38.0488
     456 -38.0928     457 -38.8903     458 -38.6751     459 -38.8609     460 -38.9040
     461 -38.8787     462 -38.7132     463 -38.2383     464 -38.2484     465 -38.2259
     466 -38.4406     467 -38.1100     468 -38.2573     469 -38.8793     470 -38.7006
     471 -38.7427     472 -38.7902     473 -38.5789     474 -38.4642     475 -38.1489
     476 -38.1038     477 -38.2187     478 -38.1245     479 -38.1661     480 -38.0539
     481 -38.8598     482 -38.7481     483 -38.8665     484 -38.8632     485 -38.9234
     486 -38.7796     487 -38.1769     488 -38.1929     489 -38.2125     490 -38.2274
     491 -38.1979     492 -38.3783     493 -38.8264     494 -38.5391     495 -38.6828
     496 -38.7858     497 -38.5310     498 -38.5206     499 -38.1894     500 -37.9482
     501 -38.1957     502 -38.1785     503 -38.1027     504 -37.9905     505 -38.2407
     506 -41.2114     507 -71.7058     508 -71.6059     509 -71.4404     510 -71.5787
     511 -71.5952     512 -71.5595     513 -71.3836     514 -71.6105     515 -71.6071
     516 -71.4793     517 -71.4244     518 -71.4623     519 -71.5783     520 -71.6911
     521 -71.5970     522 -71.4786     523 -71.5427     524 -71.4470     525 -71.6056
     526 -71.4159     527 -71.6121     528 -71.5364     529 -71.2246     530 -71.5100
     531 -76.9028     532 -76.7829     533 -76.7347     534 -76.6905     535 -76.6863
     536 -76.4404     537 -76.8579     538 -76.7079     539 -76.7469     540 -76.7375
     541 -76.7988     542 -76.6634     543 -76.6339     544 -76.5184     545 -76.9057
     546 -76.7528     547 -76.8043     548 -76.6726     549 -76.6211     550 -76.4937
     551 -76.4644     552 -76.6178     553 -76.8373     554 -76.6242     555 -76.7650
     556 -76.7472     557 -76.8169     558 -76.7130     559 -76.8346     560 -76.7729
     561 -76.7236     562 -76.5354     563 -76.7934     564 -76.6908     565 -76.7213
     566 -76.5459     567 -76.7717     568 -76.7556     569 -76.8370     570 -76.5747
     571 -76.8483     572 -76.7041     573 -76.6884     574 -76.6127     575 -76.5103
     576 -76.5951     577 -76.6565     578 -76.4636     579 -82.3988     580 -82.2639
     581 -82.2542     582 -82.3651     583 -82.2455     584 -82.2417     585 -82.4214
     586 -82.5061     587 -82.6020     588 -82.2327     589 -82.0833     590 -82.2997
     591 -82.4164     592 -82.2081     593 -82.2631     594 -82.7477     595 -82.4540
     596 -82.7096     597 -82.4223     598 -82.4765     599 -82.6275     600 -82.2041
     601 -82.1638     602 -82.5207     603 -82.5516     604 -82.3674     605 -82.6113
     606 -82.5203     607 -82.4555     608 -82.4875     609 -82.7011     610 -82.4050
     611 -82.4447     612 -82.5119     613 -82.2936     614 -82.2435     615 -82.4753
     616 -82.5267     617 -82.3852     618 -82.8325     619 -82.6528     620 -82.7960
     621 -82.2153     622 -82.4241     623 -82.4343     624 -82.3735     625 -82.2984
     626 -82.2442     627 -82.2479     628 -82.2935     629 -82.2159     630 -82.4551
     631 -82.5874     632 -82.3427     633 -82.4419     634 -82.4445     635 -82.5194
     636 -82.2999     637 -82.2835     638 -82.1954     639 -82.1530     640 -82.3603
     641 -82.3642     642 -82.4863     643 -82.5728     644 -82.4040     645 -82.3702
     646 -82.4389     647 -82.5565     648 -82.3739     649 -82.3254     650 -82.2610
 
 
 
 E-fermi :  -1.4670     XC(G=0):  -6.4901     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.2674      2.00000
      2     -29.0528      2.00000
      3     -28.9830      2.00000
      4     -28.9691      2.00000
      5     -28.9524      2.00000
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     10     -28.8268      2.00000
     11     -28.8132      2.00000
     12     -28.8090      2.00000
     13     -28.8075      2.00000
     14     -28.7685      2.00000
     15     -28.7274      2.00000
     16     -28.7060      2.00000
     17     -28.6947      2.00000
     18     -28.6096      2.00000
     19     -28.5961      2.00000
     20     -28.5949      2.00000
     21     -28.5637      2.00000
     22     -28.5604      2.00000
     23     -28.5386      2.00000
     24     -28.5255      2.00000
     25     -27.0950      2.00000
     26     -26.7292      2.00000
     27     -26.7128      2.00000
     28     -26.6874      2.00000
     29     -26.6279      2.00000
     30     -26.6233      2.00000
     31     -26.6137      2.00000
     32     -26.6034      2.00000
     33     -26.5943      2.00000
     34     -26.5930      2.00000
     35     -26.5825      2.00000
     36     -26.5758      2.00000
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     38     -26.5454      2.00000
     39     -26.5444      2.00000
     40     -26.5262      2.00000
     41     -26.5165      2.00000
     42     -26.4956      2.00000
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     44     -26.4740      2.00000
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     46     -26.4540      2.00000
     47     -26.4509      2.00000
     48     -26.4412      2.00000
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     50     -26.4369      2.00000
     51     -26.4349      2.00000
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    209     -16.0744      2.00000
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   1135      -3.0856      2.00000
   1136      -3.0743      2.00000
   1137      -3.0572      2.00000
   1138      -3.0476      2.00000
   1139      -3.0407      2.00000
   1140      -3.0245      2.00000
   1141      -3.0154      2.00000
   1142      -2.9993      2.00000
   1143      -2.9902      2.00000
   1144      -2.9870      2.00000
   1145      -2.9776      2.00000
   1146      -2.9751      2.00000
   1147      -2.9669      2.00000
   1148      -2.9637      2.00000
   1149      -2.9583      2.00000
   1150      -2.9486      2.00000
   1151      -2.9469      2.00000
   1152      -2.9340      2.00000
   1153      -2.9299      2.00000
   1154      -2.9278      2.00000
   1155      -2.9198      2.00000
   1156      -2.9123      2.00000
   1157      -2.9084      2.00000
   1158      -2.9026      2.00000
   1159      -2.8970      2.00000
   1160      -2.8890      2.00000
   1161      -2.8715      2.00000
   1162      -2.8632      2.00000
   1163      -2.8576      2.00000
   1164      -2.8528      2.00000
   1165      -2.8415      2.00000
   1166      -2.8273      2.00000
   1167      -2.8264      2.00000
   1168      -2.8112      2.00000
   1169      -2.8004      2.00000
   1170      -2.7758      2.00000
   1171      -2.7517      2.00000
   1172      -2.7425      2.00000
   1173      -2.7262      2.00000
   1174      -2.7230      2.00000
   1175      -2.7132      2.00000
   1176      -2.6800      2.00000
   1177      -2.6751      2.00000
   1178      -2.6723      2.00000
   1179      -2.6631      2.00000
   1180      -2.6469      2.00000
   1181      -2.6206      2.00000
   1182      -2.6030      2.00000
   1183      -2.5974      2.00000
   1184      -2.5961      2.00000
   1185      -2.5902      2.00000
   1186      -2.5797      2.00000
   1187      -2.5736      2.00000
   1188      -2.5650      2.00000
   1189      -2.5560      2.00000
   1190      -2.5461      2.00000
   1191      -2.5361      2.00000
   1192      -2.5286      2.00000
   1193      -2.5031      2.00000
   1194      -2.4942      2.00000
   1195      -2.4869      2.00000
   1196      -2.4767      2.00000
   1197      -2.4663      2.00000
   1198      -2.4627      2.00000
   1199      -2.4573      2.00000
   1200      -2.4526      2.00000
   1201      -2.4487      2.00000
   1202      -2.4407      2.00000
   1203      -2.4289      2.00000
   1204      -2.4237      2.00000
   1205      -2.4200      2.00000
   1206      -2.4128      2.00000
   1207      -2.4107      2.00000
   1208      -2.4097      2.00000
   1209      -2.4003      2.00000
   1210      -2.3954      2.00000
   1211      -2.3910      2.00000
   1212      -2.3874      2.00000
   1213      -2.3786      2.00000
   1214      -2.3720      2.00000
   1215      -2.3637      2.00000
   1216      -2.3592      2.00000
   1217      -2.3525      2.00000
   1218      -2.3419      2.00000
   1219      -2.3364      2.00000
   1220      -2.3337      2.00000
   1221      -2.3268      2.00000
   1222      -2.3151      2.00000
   1223      -2.3027      2.00000
   1224      -2.2941      2.00000
   1225      -2.2895      2.00000
   1226      -2.2836      2.00000
   1227      -2.2767      2.00000
   1228      -2.2685      2.00000
   1229      -2.2566      2.00000
   1230      -2.2444      2.00000
   1231      -2.2318      2.00000
   1232      -2.2257      2.00000
   1233      -2.2119      2.00000
   1234      -2.2072      2.00000
   1235      -2.2001      2.00000
   1236      -2.1909      2.00000
   1237      -2.1552      2.00001
   1238      -1.8144      2.03391
   1239      -1.7296      2.06879
   1240      -1.7188      2.07056
   1241      -1.7045      2.07047
   1242      -1.6787      2.06041
   1243      -1.6737      2.05655
   1244      -1.6424      2.01444
   1245      -1.6323      1.99315
   1246      -1.6194      1.95957
   1247      -1.6142      1.94382
   1248      -1.5947      1.87324
   1249      -1.5904      1.85507
   1250       0.1066     -0.00000
   1251       0.1715     -0.00000
   1252       0.1934     -0.00000
   1253       0.2133     -0.00000
   1254       0.2339     -0.00000
   1255       0.2498     -0.00000
   1256       0.2592     -0.00000
   1257       0.3093     -0.00000
   1258       0.3192     -0.00000
   1259       0.3322     -0.00000
   1260       0.3549     -0.00000
   1261       0.5006     -0.00000
   1262       0.5934     -0.00000
   1263       0.6316     -0.00000
   1264       0.6902     -0.00000
   1265       0.6987     -0.00000
   1266       0.7116     -0.00000
   1267       0.7141     -0.00000
   1268       0.7397     -0.00000
   1269       0.7742     -0.00000
   1270       0.7793     -0.00000
   1271       0.7915     -0.00000
   1272       0.8017     -0.00000
   1273       0.8314     -0.00000
   1274       0.8794     -0.00000
   1275       0.8956     -0.00000
   1276       0.8988     -0.00000
   1277       0.9285     -0.00000
   1278       0.9439     -0.00000
   1279       0.9529     -0.00000
   1280       1.0023     -0.00000
   1281       1.0176     -0.00000
   1282       1.0409     -0.00000
   1283       1.0947     -0.00000
   1284       1.1093     -0.00000
   1285       1.1408     -0.00000
   1286       1.1992     -0.00000
   1287       1.2349     -0.00000
   1288       1.3020     -0.00000
   1289       1.3267     -0.00000
   1290       1.3636     -0.00000
   1291       1.4281     -0.00000
   1292       1.5035     -0.00000
   1293       1.5208     -0.00000
   1294       1.5483     -0.00000
   1295       1.5700     -0.00000
   1296       1.6140     -0.00000
   1297       1.6453     -0.00000
   1298       1.8095     -0.00000
   1299       1.8365     -0.00000
   1300       1.8582     -0.00000
   1301       1.8781     -0.00000
   1302       1.9021     -0.00000
   1303       1.9180     -0.00000
   1304       1.9707     -0.00000
   1305       2.0000     -0.00000
   1306       2.0154     -0.00000
   1307       2.0607     -0.00000
   1308       2.0662     -0.00000
   1309       2.0859     -0.00000
   1310       2.1006     -0.00000
   1311       2.1174     -0.00000
   1312       2.1311     -0.00000
   1313       2.1543     -0.00000
   1314       2.1578     -0.00000
   1315       2.1831     -0.00000
   1316       2.1980     -0.00000
   1317       2.2027     -0.00000
   1318       2.2221     -0.00000
   1319       2.2401     -0.00000
   1320       2.2963     -0.00000
   1321       2.3205     -0.00000
   1322       2.3918     -0.00000
   1323       2.4232     -0.00000
   1324       2.4283     -0.00000
   1325       2.4678     -0.00000
   1326       2.4965     -0.00000
   1327       2.5057     -0.00000
   1328       2.5106     -0.00000
   1329       2.5237     -0.00000
   1330       2.5490     -0.00000
   1331       2.5561     -0.00000
   1332       2.5737     -0.00000
   1333       2.5886     -0.00000
   1334       2.5952     -0.00000
   1335       2.6143     -0.00000
   1336       2.6299     -0.00000
   1337       2.6500     -0.00000
   1338       2.6525     -0.00000
   1339       2.6609     -0.00000
   1340       2.6701     -0.00000
   1341       2.6841     -0.00000
   1342       2.7003     -0.00000
   1343       2.7352     -0.00000
   1344       2.7535     -0.00000
   1345       2.8115     -0.00000
   1346       2.9394     -0.00000
   1347       2.9800     -0.00000
   1348       2.9946     -0.00000
   1349       3.0142     -0.00000
   1350       3.0195     -0.00000
   1351       3.0539     -0.00000
   1352       3.0606     -0.00000
   1353       3.0964     -0.00000
   1354       3.1162     -0.00000
   1355       3.1284     -0.00000
   1356       3.1431     -0.00000
   1357       3.1599     -0.00000
   1358       3.1791     -0.00000
   1359       3.2200     -0.00000
   1360       3.2284     -0.00000
   1361       3.2827     -0.00000
   1362       3.3777     -0.00000
   1363       3.4568     -0.00000
   1364       3.4974     -0.00000
   1365       3.5841     -0.00000
   1366       3.6371     -0.00000
   1367       3.6609     -0.00000
   1368       3.7032     -0.00000
   1369       3.7505     -0.00000
   1370       3.7539     -0.00000
   1371       3.7969     -0.00000
   1372       3.8148     -0.00000
   1373       3.8426     -0.00000
   1374       3.8549     -0.00000
   1375       3.8626      0.00000
   1376       3.8898      0.00000
   1377       3.9042      0.00000
   1378       3.9080      0.00000
   1379       3.9305      0.00000
   1380       3.9495      0.00000
   1381       3.9641      0.00000
   1382       3.9678      0.00000
   1383       3.9790      0.00000
   1384       3.9979      0.00000
   1385       4.0149      0.00000
   1386       4.0207      0.00000
   1387       4.0351      0.00000
   1388       4.0429      0.00000
   1389       4.0492      0.00000
   1390       4.0571      0.00000
   1391       4.0859      0.00000
   1392       4.0969      0.00000
   1393       4.1087      0.00000
   1394       4.1189      0.00000
   1395       4.1228      0.00000
   1396       4.1263      0.00000
   1397       4.1492      0.00000
   1398       4.1603      0.00000
   1399       4.1776      0.00000
   1400       4.1899      0.00000
   1401       4.1952      0.00000
   1402       4.2146      0.00000
   1403       4.2350      0.00000
   1404       4.2445      0.00000
   1405       4.2689      0.00000
   1406       4.2816      0.00000
   1407       4.2971      0.00000
   1408       4.2976      0.00000
   1409       4.3106      0.00000
   1410       4.3272      0.00000
   1411       4.3407      0.00000
   1412       4.3515      0.00000
   1413       4.3637      0.00000
   1414       4.3768      0.00000
   1415       4.3958      0.00000
   1416       4.4062      0.00000
   1417       4.4169      0.00000
   1418       4.4261      0.00000
   1419       4.4442      0.00000
   1420       4.4630      0.00000
   1421       4.4718      0.00000
   1422       4.4772      0.00000
   1423       4.4956      0.00000
   1424       4.5077      0.00000
   1425       4.5357      0.00000
   1426       4.5552      0.00000
   1427       4.5711      0.00000
   1428       4.5854      0.00000
   1429       4.5865      0.00000
   1430       4.6341      0.00000
   1431       4.6413      0.00000
   1432       4.6746      0.00000
   1433       4.6826      0.00000
   1434       4.7019      0.00000
   1435       4.7641      0.00000
   1436       4.7803      0.00000
   1437       4.8087      0.00000
   1438       4.8227      0.00000
   1439       4.8421      0.00000
   1440       4.8503      0.00000
   1441       4.8718      0.00000
   1442       4.8831      0.00000
   1443       4.9065      0.00000
   1444       4.9314      0.00000
   1445       4.9490      0.00000
   1446       4.9565      0.00000
   1447       4.9597      0.00000
   1448       4.9817      0.00000
   1449       4.9980      0.00000
   1450       5.0063      0.00000
   1451       5.0196      0.00000
   1452       5.0520      0.00000
   1453       5.0570      0.00000
   1454       5.0780      0.00000
   1455       5.0891      0.00000
   1456       5.1054      0.00000
   1457       5.1135      0.00000
   1458       5.1319      0.00000
   1459       5.1387      0.00000
   1460       5.1444      0.00000
   1461       5.1739      0.00000
   1462       5.2055      0.00000
   1463       5.2076      0.00000
   1464       5.2216      0.00000
   1465       5.2295      0.00000
   1466       5.2455      0.00000
   1467       5.2532      0.00000
   1468       5.2632      0.00000
   1469       5.2807      0.00000
   1470       5.2901      0.00000
   1471       5.3063      0.00000
   1472       5.3167      0.00000
   1473       5.3254      0.00000
   1474       5.3308      0.00000
   1475       5.3368      0.00000
   1476       5.3488      0.00000
   1477       5.3529      0.00000
   1478       5.3636      0.00000
   1479       5.3782      0.00000
   1480       5.3852      0.00000
   1481       5.3956      0.00000
   1482       5.3989      0.00000
   1483       5.4147      0.00000
   1484       5.4255      0.00000
   1485       5.4305      0.00000
   1486       5.4409      0.00000
   1487       5.4492      0.00000
   1488       5.4627      0.00000
   1489       5.4767      0.00000
   1490       5.4866      0.00000
   1491       5.4888      0.00000
   1492       5.4916      0.00000
   1493       5.4992      0.00000
   1494       5.5025      0.00000
   1495       5.5141      0.00000
   1496       5.5173      0.00000
   1497       5.5289      0.00000
   1498       5.5450      0.00000
   1499       5.5462      0.00000
   1500       5.5568      0.00000
   1501       5.5707      0.00000
   1502       5.5803      0.00000
   1503       5.5911      0.00000
   1504       5.6033      0.00000
   1505       5.6056      0.00000
   1506       5.6290      0.00000
   1507       5.6326      0.00000
   1508       5.6424      0.00000
   1509       5.6545      0.00000
   1510       5.6653      0.00000
   1511       5.6717      0.00000
   1512       5.6766      0.00000
   1513       5.6862      0.00000
   1514       5.6938      0.00000
   1515       5.7066      0.00000
   1516       5.7194      0.00000
   1517       5.7292      0.00000
   1518       5.7364      0.00000
   1519       5.7561      0.00000
   1520       5.7659      0.00000
   1521       5.7767      0.00000
   1522       5.7825      0.00000
   1523       5.7907      0.00000
   1524       5.8025      0.00000
   1525       5.8093      0.00000
   1526       5.8177      0.00000
   1527       5.8298      0.00000
   1528       5.8352      0.00000
   1529       5.8427      0.00000
   1530       5.8639      0.00000
   1531       5.8748      0.00000
   1532       5.8859      0.00000
   1533       5.8881      0.00000
   1534       5.8982      0.00000
   1535       5.9171      0.00000
   1536       5.9207      0.00000
   1537       5.9234      0.00000
   1538       5.9306      0.00000
   1539       5.9432      0.00000
   1540       5.9463      0.00000
   1541       5.9563      0.00000
   1542       5.9738      0.00000
   1543       5.9812      0.00000
   1544       5.9901      0.00000
   1545       6.0039      0.00000
   1546       6.0048      0.00000
   1547       6.0162      0.00000
   1548       6.0209      0.00000
   1549       6.0249      0.00000
   1550       6.0327      0.00000
   1551       6.0520      0.00000
   1552       6.0532      0.00000
   1553       6.0604      0.00000
   1554       6.0712      0.00000
   1555       6.0822      0.00000
   1556       6.0930      0.00000
   1557       6.1121      0.00000
   1558       6.1148      0.00000
   1559       6.1265      0.00000
   1560       6.1337      0.00000
   1561       6.1453      0.00000
   1562       6.1522      0.00000
   1563       6.1612      0.00000
   1564       6.1710      0.00000
   1565       6.1753      0.00000
   1566       6.1826      0.00000
   1567       6.1861      0.00000
   1568       6.1983      0.00000
   1569       6.2013      0.00000
   1570       6.2095      0.00000
   1571       6.2161      0.00000
   1572       6.2246      0.00000
   1573       6.2374      0.00000
   1574       6.2415      0.00000
   1575       6.2492      0.00000
   1576       6.2732      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.088  13.413  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.413  17.832  -0.001   0.002  -0.000   0.003  -0.006   0.000
 -0.001  -0.001  -4.234   0.003   0.001   8.281  -0.005  -0.001
  0.001   0.002   0.003  -4.234   0.001  -0.005   8.280  -0.001
 -0.000  -0.000   0.001   0.001  -4.226  -0.001  -0.001   8.271
  0.002   0.003   8.281  -0.005  -0.001 -18.326   0.007   0.002
 -0.004  -0.006  -0.005   8.280  -0.001   0.007 -18.322  -0.000
  0.000   0.000  -0.001  -0.001   8.271   0.002  -0.000 -18.316
 total augmentation occupancy for first ion, spin component:           1
  8.443  -3.801   0.157   0.132  -0.033   0.019   0.025  -0.006
 -3.801   1.784  -0.080  -0.092   0.019  -0.008  -0.015   0.003
  0.157  -0.080   1.784  -0.066  -0.041   0.169  -0.012  -0.008
  0.132  -0.092  -0.066   1.893  -0.081  -0.012   0.177  -0.011
 -0.033   0.019  -0.041  -0.081   1.223  -0.008  -0.011   0.080
  0.019  -0.008   0.169  -0.012  -0.008   0.018  -0.002  -0.001
  0.025  -0.015  -0.012   0.177  -0.011  -0.002   0.018  -0.001
 -0.006   0.003  -0.008  -0.011   0.080  -0.001  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -51389.54486 95782.32819 25122.69816-11291.82519  6718.67979 20775.47817
  Hartree  4204.54416122660.82621 63168.74073-11673.76834  4677.26197 15121.31427
  E(xc)  -10733.22394-10586.35984-10629.16135     2.72544     8.06198    32.33369
  Local   13754.02713************************ 22956.25403-11417.35678-35318.61218
  n-local -5843.79965 -5974.59697 -6030.27722     3.94603    16.79633   -62.33311
  augment  1494.59225  1535.12546  1487.30631     4.90636    12.44535    -2.87806
  Kinetic 45509.09403 43209.39348 43661.95443   -24.13732   -70.58623  -557.23100
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -96.4521560   -425.7126966   -157.1027315    -21.8989891    -54.6975867    -11.9282167
  in kB      -16.0841691    -70.9909997    -26.1981380     -3.6518317     -9.1212604     -1.9891256
  external PRESSURE =     -37.7577689 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.238E+03 -.116E+03 0.250E+03   0.238E+03 0.116E+03 -.252E+03   -.618E-01 -.533E+00 0.156E+01   -.375E-04 -.265E-04 0.106E-03
   -.196E+03 -.140E+03 0.608E+02   0.196E+03 0.141E+03 -.606E+02   0.339E+00 -.113E+01 -.427E+00   0.690E-05 -.272E-04 0.557E-04
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 -----------------------------------------------------------------------------------------------
   0.809E+01 -.838E-01 -.211E+02   -.981E-11 -.176E-11 0.870E-11   -.806E+01 0.760E-01 0.211E+02   -.245E-01 0.193E-02 0.135E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.05387      3.16168      1.35341         0.021372      0.215533      0.159177
     12.84226      3.57660      2.67110         0.058185      0.127093     -0.215224
     12.82432      4.93333      3.02396        -0.016573      0.153879     -0.242523
     13.08609      4.09187      0.32062         0.062756     -0.096695      0.023731
     12.96820      5.44180      0.65356         0.081490      0.053466      0.037151
     12.93356      5.91547      1.99205        -0.058528      0.078491     -0.023284
     13.21327      1.68712      1.33328         0.044477     -0.143740     -0.248435
     12.65826      2.34659      3.49617         0.010399      0.054394     -0.041296
     13.04860      7.40548      2.23489        -0.113585     -0.186715      0.115693
     13.04784      7.99292      3.52911        -0.056274      0.042733     -0.189003
     13.30454      9.36384      3.65544        -0.011150     -0.065162     -0.107883
     13.21156      8.28718      1.13435         0.050666     -0.032361      0.032685
     13.43461      9.65802      1.26671        -0.010126      0.240771      0.233877
     13.50967     10.19448      2.55453        -0.024428     -0.171697      0.218868
     13.73049     11.58857      3.04949        -0.025396      0.437639     -0.333932
     13.38878     10.19271      4.89111        -0.072356     -0.120158      0.331656
     13.72212     12.67094      5.39909         0.085467     -0.131052     -0.035598
     13.44254     12.55102      6.77049         0.098033      0.108730      0.001212
     13.45041     13.66793      7.61127         0.150675      0.038248      0.092574
     14.07910     13.95533      4.97500         0.008460      0.172073      0.073511
     14.09691     15.07255      5.84007         0.006368      0.014401     -0.084267
     13.78283     14.99304      7.23836        -0.045254     -0.186614      0.236428
     13.85787     16.10913      8.29911         0.075912      0.013688      0.143006
     13.28412     16.08774      9.63524         0.021591      0.070308     -0.147580
     13.36635     17.21216     10.47278        -0.035121     -0.011396      0.068653
     14.53149     17.33203      8.01990         0.062843     -0.072049      0.081680
     14.52289     18.46929      8.83713         0.002478     -0.084519     -0.073643
     13.92570     18.41953     10.08595         0.037566      0.005828     -0.044594
     12.48094     14.98669     10.30364        -0.058383     -0.212215     -0.166386
     14.66776     16.29597      5.16442         0.288845     -0.139981     -0.152677
      9.74715      3.84913      4.77619         0.036828      0.310719     -0.188341
      9.73909      4.78243      3.73513        -0.030786      0.053389      0.243575
      9.83737      6.16100      4.00508         0.008268     -0.070159      0.096955
      9.86847      4.25609      6.09914         0.002052     -0.125905     -0.052195
      9.91948      5.61694      6.37805         0.105374      0.023783     -0.236624
      9.92365      6.60547      5.35785        -0.001493      0.133825      0.038002
      9.50226      2.49516      4.23357         0.013648     -0.601950      0.323368
      9.60185      4.01474      2.45058         0.063359     -0.076376     -0.004985
     10.00481      8.06144      5.75166         0.023254     -0.067390     -0.096780
     10.09277      9.10113      4.78587         0.110051     -0.015247      0.182136
     10.21428     10.42273      5.21852        -0.077037     -0.173370      0.007031
      9.97097      8.45072      7.12038        -0.016423     -0.041598     -0.165787
     10.03455      9.78609      7.53715         0.029895      0.085520     -0.075293
     10.18856     10.77539      6.57097         0.005546     -0.249749     -0.354053
     10.27507     12.25100      6.67579         0.006620      0.341138      0.183488
     10.33466     11.66999      4.41618         0.114276      0.009852      0.351115
     10.77773     14.11216      4.95714         0.024763     -0.084870     -0.017698
     11.28002     14.42868      3.68897        -0.019432      0.076054     -0.039365
     11.68665     15.73276      3.38878        -0.113328      0.206465      0.017336
     10.66702     15.19114      5.84296        -0.126918      0.016187     -0.156637
     11.01756     16.51797      5.51900         0.077639      0.148430     -0.112092
     11.57474     16.87483      4.21879        -0.033317      0.047919     -0.066210
     12.01976     18.28110      3.70060        -0.000766     -0.028210      0.066573
     12.57945     18.69206      2.42017        -0.041820      0.024463      0.313114
     12.88766     20.04301      2.15545        -0.075794     -0.052717     -0.003166
     11.91015     19.38550      4.57275         0.101152     -0.037550     -0.003830
     12.18713     20.72831      4.30185        -0.039268     -0.153995      0.115597
     12.63588     21.10429      3.03607         0.102146     -0.057117     -0.161806
     12.99347     17.82179      1.24383         0.175819     -0.288907     -0.134716
     10.79521     17.43759      6.71907         0.078621      0.234045     -0.082044
     10.38286      7.08406     14.65354         0.141853      0.115499      0.181667
     10.27780      7.49847     15.98683         0.115909     -0.062759     -0.158195
     10.31235      8.85844     16.34485         0.090049      0.220786     -0.316459
     10.39813      8.03598     13.63515         0.113262      0.102826      0.081462
     10.34120      9.39750     13.97909         0.102690     -0.037989      0.123418
     10.36725      9.86795     15.32292         0.030074      0.153734      0.103600
     10.47869      5.58449     14.61839        -0.095490      0.251730     -0.057215
     10.11432      6.24508     16.81294         0.048167      0.129136      0.497258
     10.46176     11.38847     15.58224         0.004329     -0.179448      0.067797
     10.48318     11.98975     16.88149         0.004040     -0.040591     -0.164667
     10.63229     13.38590     17.00989         0.014271      0.033452     -0.011414
     10.56207     12.29174     14.48082         0.022449     -0.092553      0.078475
     10.70579     13.67929     14.61920        -0.023307      0.064866      0.084886
     10.75073     14.22702     15.90090         0.051325     -0.187698      0.173208
     10.89216     15.64683     16.35972        -0.003716      0.430250     -0.119998
     10.66508     14.26231     18.23363        -0.016300      0.054416      0.338394
     10.70597     16.81197     18.66850         0.074999     -0.031089     -0.118340
     10.12422     16.75326     19.93768         0.075322      0.108448     -0.014870
      9.94187     17.91056     20.70701        -0.037032      0.084362      0.107928
     11.14739     18.09737     18.29506         0.005059      0.056516      0.049432
     11.02231     19.25746     19.09945         0.006857     -0.012011      0.192992
     10.39791     19.21915     20.42316        -0.123294     -0.080836     -0.060859
     10.16552     20.35402      0.21439         0.006734      0.132336     -0.138723
      9.53808     20.30768      1.52900         0.115823     -0.105657     -0.119799
      9.33288      0.19933      2.31919        -0.039925     -0.100737     -0.154077
     10.55765      0.42424     21.17221        -0.079576     -0.185425     -0.230624
     10.26606      1.58079      0.64504        -0.049356     -0.077191      0.102672
      9.67364      1.49657      1.91256        -0.012577      0.040099     -0.082305
      8.90046     19.11154      2.21256        -0.330455     -0.138079     -0.369660
     11.68329     20.45660     18.41010         0.311377     -0.022495     -0.145126
      7.21976      7.64486     17.44778        -0.032615      0.148513     -0.032924
      7.16915      8.58691     16.41596        -0.147049      0.000531      0.127610
      7.15397      9.96575     16.68657         0.064260      0.081491      0.157707
      7.33494      8.04767     18.77404         0.060608     -0.028420     -0.062654
      7.35359      9.41748     19.04670         0.050367      0.029953     -0.059717
      7.25377     10.41544     18.03977        -0.013373      0.142768     -0.078309
      6.92740      6.29781     16.88819         0.054735     -0.275810      0.168280
      7.02341      7.81975     15.12980         0.127849     -0.045077     -0.048362
      7.23138     11.88201     18.45167         0.014607     -0.164386     -0.048479
      7.24957     12.96555     17.52383         0.079582     -0.075536      0.117307
      7.23522     14.28353     18.00260        -0.008869     -0.071658      0.140013
      7.22994     12.22233     19.83431         0.058502     -0.113338     -0.197794
      7.25059     13.53837     20.29814         0.016796      0.142298     -0.074179
      7.21602     14.57389     19.37080         0.024920     -0.160878     -0.260469
      7.18513     16.04805     19.56120         0.002564      0.069555     -0.017534
      7.31111     15.58717     17.27308        -0.018396      0.029430      0.144475
      7.54179     18.03930     17.98642         0.134691     -0.123368     -0.074350
      8.27796     18.41422     16.86086        -0.018763      0.009739     -0.040284
      8.61567     19.74962     16.64823         0.046630      0.155224     -0.088797
      7.14947     19.09868     18.82577        -0.099441     -0.075855     -0.201564
      7.42592     20.46549     18.56229         0.217559      0.136035     -0.283709
      8.22541     20.87632     17.39778         0.026700     -0.025175      0.087401
      8.74446      1.01491     16.91244         0.035004      0.062503     -0.036968
      9.38688      1.39195     15.65529         0.057030     -0.374563     -0.106280
      9.82525      2.71036     15.38602        -0.128482     -0.194810      0.070304
      8.65500      2.13223     17.76697         0.118748     -0.055079      0.140765
      9.14922      3.42251     17.52918         0.067317      0.219758      0.065232
      9.71631      3.77322     16.28703         0.047869     -0.165508      0.308054
      9.82300      0.50604     14.45643         0.372562      0.568079      0.215675
      6.77108      0.10815     19.60985         0.132368      0.260622     -0.054875
      6.94196     10.86587      6.12432        -0.008618      0.208355      0.156231
      6.81537     11.30344      7.44149         0.030145      0.085814     -0.152436
      6.87611     12.67169      7.77522         0.049422     -0.008657     -0.137538
      7.19675     11.78262      5.10307        -0.071641     -0.132323      0.118892
      7.28255     13.13765      5.43214        -0.055591      0.068710      0.123317
      7.09500     13.64115      6.75151         0.057807      0.155194      0.030112
      6.93015      9.37900      6.09660         0.036628     -0.324519     -0.352608
      6.75771     10.06857      8.29579         0.001164      0.100046      0.344951
      7.19555     15.14953      6.99287        -0.002296     -0.294405      0.075453
      7.08753     15.77482      8.26937         0.071666     -0.033807     -0.175339
      7.23038     17.17235      8.37028        -0.005727      0.044832     -0.087450
      7.46595     16.00470      5.88898        -0.064940     -0.095266      0.061500
      7.51844     17.39376      5.98663        -0.057358      0.066578      0.211118
      7.39175     17.98081      7.24762        -0.052876     -0.090772      0.102202
      7.57686     19.40504      7.67842         0.008522      0.327920     -0.386229
      7.38687     18.05718      9.57042         0.010937     -0.222286      0.617944
      7.62721     20.59065      9.97968         0.012068     -0.100468     -0.086149
      7.16951     20.56797     11.30296         0.084484      0.017657     -0.023955
      7.12507      0.47621     12.07104        -0.024354      0.073022      0.035239
      8.14037      0.58171      9.57325         0.043052     -0.236519      0.063669
      8.20812      1.72173     10.40815        -0.061982      0.148361      0.331466
      7.63146      1.75275     11.74627        -0.004184     -0.059259      0.049844
      7.48248      2.91316     12.78990         0.142508      0.230489     -0.134422
      6.87849      2.85653     14.11125         0.005978     -0.058843      0.214191
      6.70218      4.00863     14.91518         0.140316     -0.246820     -0.252025
      7.92692      4.24704     12.50944        -0.011049     -0.448538     -0.184533
      7.72529      5.39110     13.29361        -0.008635     -0.088298      0.030703
      7.11344      5.29523     14.55288         0.104680      0.386545     -0.105910
      6.26623      1.64736     14.84767         0.226197      0.031401     -0.192047
      9.07326      2.80958      9.80309         0.273088      0.060304      0.073127
      4.19094     11.49307     10.67041         0.037887      0.174940     -0.117707
      3.93072     12.35810      9.60909         0.064253      0.002754      0.055482
      3.96295     13.74669      9.75834         0.138161     -0.028559      0.035748
      4.52550     12.01841     11.91759         0.030757     -0.041980     -0.224839
      4.55161     13.41066     12.08077         0.058812     -0.053497     -0.101161
      4.28261     14.31666     11.01815         0.054777      0.156438     -0.154366
      3.86565     10.09998     10.25038         0.011382     -0.086873     -0.013439
      3.49060     11.53748      8.44566        -0.067857      0.311540     -0.418210
      4.32810     15.81775     11.22713         0.129173     -0.078435     -0.120461
      4.04495     16.77321     10.20101         0.144635      0.071838      0.179291
      4.13063     18.14677     10.49334        -0.027303     -0.166132     -0.049985
      4.74443     16.32430     12.48546         0.020455     -0.038123     -0.063982
      4.79719     17.68630     12.77427        -0.064760      0.115967     -0.138708
      4.43603     18.59046     11.77705        -0.058727     -0.183438     -0.137103
      4.30803     20.06302     11.80946        -0.000589     -0.035898     -0.142140
      4.04928     19.36954      9.60589        -0.029236     -0.149301      1.203997
      4.35548      0.65403     10.07373         0.058394     -0.291754      0.132357
      4.78693      0.98550      8.78931         0.056038      0.007163      0.010894
      5.25708      2.27105      8.51945         0.093798      0.118408     -0.020662
      4.24902      1.75200     10.94571         0.036017     -0.117353     -0.096646
      4.73397      3.05881     10.67116         0.165211      0.236769     -0.262431
      5.36580      3.38359      9.40100         0.025996     -0.015230     -0.169613
      5.97565      4.75204      8.85738         0.083728     -0.258252      0.075318
      6.47676      5.04536      7.52849         0.035892      0.043792      0.283314
      6.81191      6.36180      7.11085        -0.009426     -0.030391      0.020869
      5.95967      5.92260      9.63766         0.085733      0.128590      0.094434
      6.24599      7.23231      9.22111        -0.064504     -0.097528     -0.038240
      6.63441      7.51738      7.90387        -0.078796      0.080860      0.053846
      6.62482      4.00465      6.43289        -0.012641     -0.186342      0.042552
      4.33202      3.94926     11.85462        -0.030745     -0.098941      0.137622
      0.95522     14.20889      0.89050        -0.187021      0.152069     -0.108260
      1.58054     14.65022      2.05712        -0.122732     -0.070702     -0.072501
      1.60269     16.03351      2.37710        -0.133908     -0.024024     -0.333022
      0.51209     15.10891     21.17820         0.008640     -0.054327      0.218659
      0.61223     16.46866      0.20393        -0.155970      0.007397     -0.036902
      1.06313     16.99262      1.44372         0.092959     -0.140230      0.221761
      0.86649     12.73123      0.88242         0.153850     -0.086544     -0.017701
      2.18226     13.38938      2.68464         0.468306     -0.111349      0.663547
      0.95565     18.51048      1.63905         0.067995     -0.222285     -0.028136
      1.32210     19.23199      2.81175        -0.045353      0.088504     -0.026113
      1.17401     20.63453      2.82753        -0.111954      0.069209     -0.261278
      0.46962     19.29065      0.54749         0.011295     -0.145017      0.146110
      0.28334     20.66768      0.58910        -0.105355      0.259785     -0.087066
      0.61839      0.08408      1.75555         0.176687     -0.245172      0.158291
      0.56434      1.53743      2.06999        -0.075995      0.342411     -0.220762
      1.61250      0.39802      3.82655         0.275988     -0.173706      0.406229
      1.37436      2.93525      4.06547        -0.195668      0.164874     -0.198643
      1.96072      2.97173      5.32867         0.004344      0.067700      0.028996
      2.08818      4.17634      6.01330        -0.085037      0.029254     -0.147452
      0.87884      4.17935      3.62038        -0.028201     -0.025365     -0.129218
      0.98681      5.38721      4.35013        -0.016455      0.011474     -0.227011
      1.69170      5.47795      5.60728         0.054140     -0.121930     -0.008936
      2.05809      6.71066      6.46761         0.108488     -0.007607      0.285934
      2.53993      6.67012      7.82570        -0.133386      0.312793     -0.174724
      2.98191      7.79247      8.55018        -0.091884     -0.019378     -0.244735
      2.03667      8.05975      6.01448         0.046825     -0.147646     -0.053050
      2.51071      9.18605      6.71467         0.026346     -0.005496      0.102633
      3.02712      9.08324      8.02858        -0.108000     -0.053867     -0.203755
      2.82193      5.43857      8.61308        -0.432681     -0.235436     -0.057093
      0.22476      6.51281      3.66145        -0.179987     -0.048603      0.214379
      4.66664     14.08095      0.69063         0.045894      0.126878      0.058690
      4.06212     14.98212     -0.18943         0.088018     -0.097789      0.056126
      4.08134     16.37961      0.06172         0.066897      0.097214      0.248756
      5.33577     14.55715      1.81980        -0.045043     -0.001157     -0.053042
      5.33475     15.93066      2.07947        -0.017801      0.121007      0.013995
      4.69554     16.90411      1.25808        -0.082574     -0.110448     -0.047745
      4.50583     12.67505      0.19904         0.004413      0.099371      0.150015
      3.49827     14.12500     19.94172        -0.294899      0.321155     -0.171770
      4.74023     18.38050      1.73177        -0.138795     -0.119513     -0.182988
      4.14826     19.50384      1.07009         0.084759     -0.122192      0.058088
      4.32509     20.80748      1.58745         0.053050      0.153663      0.091990
      5.44389     18.68248      2.93309        -0.115680     -0.104859     -0.130178
      5.62930     19.96930      3.43917        -0.103706      0.145046     -0.122991
      5.07149     21.03979      2.74169        -0.087250      0.126924     -0.103120
      5.15590      1.25547      3.00312         0.227108      0.365706      0.411617
      3.85747      0.90405      1.09857        -0.168589      0.109249     -0.209100
      4.01761      3.37833      1.97935         0.167884     -0.141645     -0.023275
      3.09855      3.96421      1.08051         0.104132      0.074867     -0.039532
      2.84990      5.35392      1.04928         0.032907      0.141368     -0.151186
      4.55403      4.30945      2.89370         0.052527      0.100533     -0.130846
      4.26986      5.70178      2.84153        -0.079301      0.348397      0.196976
      3.46116      6.36071      1.86081        -0.360140      0.234726     -0.354361
      3.13720      7.94843      1.73050        -0.128515     -0.056145     -0.069292
      2.07433      8.54392      0.94195        -0.180537     -0.237192      0.215510
      1.67345      9.88675      1.04786         0.188809      0.357535      0.188358
      3.77356      9.00044      2.47506         0.233636     -0.127715     -0.177541
      3.33681     10.34166      2.63105         0.054480     -0.057118      0.148287
      2.23023     10.84105      1.92385         0.040735     -0.168290     -0.244757
      1.10117      7.81607      0.03451         0.029484     -0.491909     -0.049126
      4.90587      6.48263      3.95830         0.103660     -0.197227     -0.136936
     18.07497     17.33965     13.64236         0.212168      0.125300      0.205274
     19.10072     17.80640     14.46930        -0.108537      0.166016      0.020499
     19.37199     19.17462     14.60859        -0.124059      0.127526     -0.034899
     17.34628     18.23784     12.86056        -0.004214     -0.062818      0.124345
     17.63514     19.60571     12.96913        -0.000413      0.002201      0.165485
     18.59822     20.12633     13.87878         0.075951      0.135858      0.071692
     18.01069     15.85294     13.75785        -0.181034     -0.200313     -0.113225
     19.76832     16.61977     15.09445         0.026429     -0.062601     -0.048613
     18.72493      0.37153     14.09846        -0.007873     -0.313513      0.006252
     19.69430      0.94591     14.97285        -0.209300     -0.001276     -0.044524
     19.64025      2.31860     15.25026        -0.150897     -0.001232     -0.145749
     17.79343      1.25780     13.49057         0.057063     -0.084222      0.103651
     17.78200      2.63439     13.73401         0.151078      0.055703      0.095653
     18.71084      3.15842     14.63091         0.140549     -0.164391      0.048052
     18.93911      4.55939     15.08786        -0.166389      0.427249     -0.069117
     20.42817      3.15141     16.21254        -0.093935      0.151669      0.039858
     20.63217      5.68526     16.66154        -0.140634     -0.479922     -0.101014
      0.67964      5.64082     17.14154         0.078581      0.086241      0.162646
      1.29363      6.79555     17.63069        -0.264605      0.040943     -0.098805
     19.97664      6.90410     16.84959         0.000074      0.139586      0.234463
     20.56737      8.04767     17.44437         0.123711     -0.001600      0.057025
      0.70670      8.06375     17.82708         0.274204      0.241538      0.077845
      1.59996      9.21941     18.44169        -0.397410      0.118951     -0.231594
      2.94818      9.15427     18.95478         0.166223      0.222440      0.326722
      3.60844     10.29149     19.52852        -0.164848      0.201896     -0.153619
      1.07876     10.53442     18.58730         0.133273      0.007800     -0.084151
      1.74162     11.65204     19.12825        -0.104205     -0.128283     -0.024893
      3.04206     11.57758     19.64724        -0.196607     -0.471552     -0.287176
      4.03046      8.06186     18.87996         0.221770     -0.146744     -0.139856
     19.52930      9.13189     17.72268        -0.222531     -0.026735     -0.146168
      1.95147     18.19797     14.12370        -0.061837      0.397370     -0.074280
      1.22391     19.13162     13.37657         0.062795      0.094659      0.147255
      1.30859     20.50676     13.63588         0.039721      0.059210      0.096336
      2.84303     18.64186     15.10319        -0.153216     -0.159674      0.001871
      2.93389     20.01633     15.36707        -0.011062     -0.096430     -0.111678
      2.16354     20.98881     14.67211        -0.236675      0.188521      0.146189
      1.63350     16.83143     13.63530         0.037325     -0.246013      0.112819
      0.45651     18.37560     12.33644        -0.226294      0.059736     -0.410922
      2.29253      1.20898     15.00644        -0.171981     -0.184305      0.043647
      1.68542      2.22191     14.21108         0.112952      0.064755      0.118069
      1.93927      3.57069     14.50034         0.024676     -0.334153     -0.060361
      3.06031      1.64980     16.12333        -0.106753      0.006660     -0.209271
      3.40753      2.99410     16.32298        -0.067869      0.119067     -0.192652
      2.87428      3.95928     15.46781        -0.323405     -0.318243     -0.283641
      3.11075      5.41829     15.28894         0.692328      0.678151      0.321280
      1.38103      4.79449     13.85735         1.073348      0.059678      0.937470
      1.61905      7.29277     14.38768         0.116911     -0.067581      0.114966
      0.32155      7.57131     13.96164        -0.005665      0.055876     -0.049724
     21.02762      8.84302     14.09724         0.007919      0.241566     -0.028283
      2.34425      8.40942     14.84791        -0.139591      0.111713     -0.142167
      1.79764      9.71635     14.95839        -0.029513      0.161238     -0.087037
      0.41346     10.01596     14.56759        -0.075476     -0.008228     -0.038292
     20.87868     11.37344     14.55733         0.052644     -0.100660      0.044750
     19.50051     11.66875     14.14918         0.209794     -0.078869      0.142250
     18.96929     12.97682     14.21430         0.000254     -0.074362      0.050830
      0.28140     12.55561     14.95709         0.001251     -0.115527      0.061660
     -0.25645     13.84499     15.05561        -0.061257     -0.154250      0.043244
     19.68750     14.10144     14.65332        -0.151480      0.085009     -0.062392
     18.44745     10.68857     13.63579        -0.147717     -0.321834     -0.050720
      2.89976     10.69318     15.42132        -0.190060      0.119425     -0.071031
     16.14298      0.41662      5.23415         0.123626      0.195660      0.134004
     16.87488      0.83595      6.34659        -0.094844      0.089508     -0.179040
     16.92902      2.19360      6.72194        -0.116258      0.044952     -0.088030
     15.40848      1.32976      4.49775         0.146174     -0.051338     -0.029843
     15.46713      2.67537      4.85320         0.120559      0.092929      0.131852
     16.22447      3.16757      5.94368         0.002885      0.055713      0.011272
     16.41282     20.24613      4.94575         0.030685     -0.137157     -0.166068
     17.57191     20.87559      6.86959         0.259733     -0.021223      0.220052
     16.24552      4.67541      6.17765         0.033377     -0.279468      0.133472
     17.00971      5.30172      7.19632        -0.221961      0.007035      0.043954
     16.93362      6.69522      7.36848        -0.149630     -0.013628     -0.055408
     15.45885      5.53400      5.36159         0.085501     -0.097601      0.081950
     15.45483      6.92314      5.48991         0.155863      0.076955      0.101442
     16.21277      7.51210      6.49845         0.083686     -0.244560      0.102146
     16.45309      8.94266      6.85108        -0.151878      0.330399     -0.231540
     17.49740      7.57983      8.42905         0.293222     -0.144359      0.549498
     17.74880     10.11648      8.73260        -0.131145     -0.040913     -0.018736
     18.80866     10.01233      9.63287        -0.110716      0.144582      0.098455
     19.37880     11.15438     10.19426        -0.105254     -0.023943      0.081247
     17.27942     11.42805      8.51743         0.026803     -0.040368      0.117820
     17.82189     12.57060      9.15582         0.169461      0.015345     -0.004783
     18.95737     12.48375     10.05212         0.076491     -0.019398      0.043854
     19.75230     13.57487     10.80861        -0.125820      0.083700     -0.046060
     21.03869     13.46112     11.46898         0.143636      0.137278      0.005512
      0.42754     14.59311     12.01397         0.067692     -0.089567     -0.122864
     19.24595     14.89771     10.89484        -0.030333     -0.109633     -0.089038
     19.92172     16.02693     11.37762         0.143264     -0.157438      0.068182
     21.18073     15.89520     11.98083         0.000757     -0.113675     -0.003093
      0.77804     12.29503     11.54398        -0.100495      0.076949     -0.230551
     17.04393     13.82530      8.81382        -0.184032      0.154760      0.090037
     20.37981      1.35998      6.12801        -0.104571      0.232138      0.072281
     19.79876      2.40656      5.40250        -0.021762      0.073986      0.144483
     19.79106      3.71666      5.86069        -0.112365     -0.096143      0.040368
     20.90228      1.61129      7.39117         0.017429     -0.083944      0.102990
     20.81576      2.91426      7.89889        -0.094027      0.044974      0.039075
     20.28780      4.00789      7.15713        -0.049689      0.033628      0.076021
     20.23863      0.10954      5.33855        -0.092557     -0.316680     -0.152468
     19.17649      1.83969      4.17161        -0.308436      0.335457     -0.370875
     20.32602      5.42632      7.65819         0.030808      0.008570      0.140143
     19.94148      6.47648      6.80086         0.007166      0.220638      0.224824
     20.23074      7.80392      7.12644        -0.005393     -0.135063      0.084927
     -0.43590      5.80593      8.93518        -0.048301      0.003061     -0.057426
     -0.05948      7.12608      9.22414        -0.100466      0.163128     -0.079686
     20.93199      8.12742      8.28270        -0.151492     -0.239982     -0.171248
     -0.01083      9.57473      8.22742         0.736487      0.849537      0.909269
     19.95490      9.05961      6.37619        -0.107494      0.187339     -0.072709
     20.41812     11.54012      6.77088        -0.021899      0.000243      0.133344
     19.50788     11.95342      5.78518         0.054352     -0.063205      0.084737
     19.21583     13.30466      5.60577         0.074846      0.062416      0.035019
     21.06409     12.59258      7.45542        -0.021513     -0.093032     -0.094473
     20.81597     13.96156      7.21814        -0.106978      0.094862     -0.178204
     19.81691     14.40411      6.26658        -0.111820      0.151424     -0.161971
     19.31483     15.83700      5.96985         0.033437      0.038519      0.089452
     18.50085     16.29909      4.86370         0.113910     -0.043665      0.126338
     17.97550     17.61341      4.82817         0.090457     -0.069342      0.038964
     19.55316     16.88341      6.90316         0.017066     -0.160524     -0.013669
     18.94461     18.14043      6.92581         0.119841     -0.128115     -0.035722
     18.08681     18.53434      5.89101        -0.023050      0.055692     -0.061051
     17.95864     15.43275      3.72548         0.089909     -0.028003     -0.078620
      0.53220     14.85956      7.96520         0.150645      0.147377     -0.109402
     12.70957      5.21897      4.07441        -0.020338     -0.038930     -0.130274
     13.18798      3.77812     20.53837        -0.015080      0.005439      0.035114
     12.91332      6.15522     21.08665         0.110368     -0.160580      0.100024
     12.83712      7.40620      4.42772         0.027387      0.035141     -0.106841
     13.16997      7.89163      0.12064         0.053124      0.070523      0.025653
     13.53739     10.28974      0.38506         0.051941      0.042774     -0.029915
     13.26408     13.44644      8.65444         0.031500     -0.032113     -0.066054
     13.28848     11.57104      7.20560        -0.197856     -0.066425      0.068679
     14.38865     14.10950      3.94724        -0.130658     -0.041480     -0.014986
     12.92949     17.14981     11.46521        -0.035815     -0.001070      0.001283
     15.08390     17.46105      7.10058        -0.127103     -0.130407      0.265493
     14.94927     19.41206      8.47100         0.117765     -0.262266      0.001748
      9.84940      6.88500      3.18396        -0.089661     -0.164104      0.042236
      9.83572      3.52891      6.90469         0.111572      0.047256     -0.097990
      9.89833      5.90300      7.42974         0.200236      0.019950     -0.069364
     10.07121      8.87698      3.71693         0.012402      0.090369      0.069629
      9.83825      7.69706      7.90151         0.075576      0.095343     -0.132219
      9.92833     10.04609      8.59105         0.114135     -0.018699      0.046427
     12.13235     15.83721      2.41252        -0.030426     -0.005610     -0.005543
     11.36529     13.66693      2.91714         0.145672      0.057376      0.035214
     10.25913     14.99420      6.82234         0.069619     -0.038676      0.205910
     13.34573     20.28026      1.20601        -0.044673      0.026687     -0.153698
     11.58625     19.22093      5.58241         0.057198      0.077387     -0.018267
     12.05874      0.19101      5.10166        -0.130969      0.046939     -0.022665
     10.27488      9.13218     17.40061         0.007823     -0.004950      0.020810
     10.44804      7.74753     12.58263        -0.025322     -0.043580      0.055234
     10.28355     10.11401     13.15199         0.087844     -0.180079      0.175712
     10.35175     11.38185     17.78227         0.116482      0.065454     -0.057320
     10.53432     11.91637     13.45416         0.030830      0.011070      0.165764
     10.77190     14.32183     13.73968         0.033402     -0.040862     -0.039884
      9.40329     17.73507      0.36922         0.103865     -0.033844     -0.185613
      9.84461     15.79902     20.37200        -0.192108     -0.037387     -0.011455
     11.60961     18.24000     17.32630        -0.011430     -0.177202     -0.078030
      8.87061      0.06729      3.29091         0.069708      0.111589     -0.029408
     11.14025      0.59652     20.27869        -0.140092      0.072452     -0.000315
     10.49790      2.54699      0.20976         0.173073      0.098772     -0.012897
      7.03774     10.69333     15.87473         0.036874     -0.212350      0.044343
      7.31677      7.31905     19.58966         0.120413      0.063749     -0.131858
      7.35964      9.70740     20.09985         0.169584     -0.047040     -0.133894
      7.32632     12.78097     16.44847        -0.104322      0.057851      0.067480
      7.18783     11.44412     20.60036         0.097072      0.105202     -0.162872
      7.28865     13.74747      0.10750         0.008084     -0.025556     -0.017895
      9.26978     19.90009     15.80844         0.114457     -0.027468     -0.060749
      8.62196     17.67848     16.13652         0.072609      0.034903      0.070750
      6.58300     18.85293     19.71691         0.034085      0.017898      0.028819
     10.22803      2.90128     14.39823         0.123013      0.103012      0.109405
      8.18557      1.99368     18.73199         0.062359      0.063626      0.136585
      9.09927      4.14783     18.34050        -0.185975     -0.005043     -0.113308
      6.79468     12.98641      8.81657        -0.006001     -0.091928      0.015047
      7.39509     11.45116      4.08211        -0.111506     -0.026659     -0.010782
      7.57367     13.81875      4.62656        -0.210430     -0.129023      0.109401
      6.93540     15.17798      9.17124         0.043641      0.058441      0.013926
      7.72710     15.57061      4.91940        -0.253517      0.125852      0.106643
      7.76388     17.98698      5.10975        -0.036974      0.089937     -0.001289
      6.64870      0.32980     13.02329        -0.007870     -0.027178     -0.133198
      6.83252     19.64738     11.77719         0.041938      0.014600     -0.141807
      8.54011      0.67471      8.57174         0.020131     -0.070327     -0.108047
      6.23572      3.87410     15.87675        -0.017993      0.105889      0.169349
      8.51730      4.42189     11.61737        -0.205141     -0.002591     -0.049207
      8.04983      6.36252     12.91295         0.059267     -0.164916      0.020935
      3.66031     14.37400      8.92262         0.202043     -0.010940     -0.071969
      4.67665     11.36131     12.77011         0.163526      0.012747     -0.110253
      4.72346     13.78006     13.09531         0.066601     -0.003155     -0.157395
      3.79221     16.46291      9.18659        -0.035766     -0.026751     -0.010951
      5.03500     15.63797     13.28350        -0.009823      0.065791     -0.120893
      5.12766     18.02979     13.75296         0.008154      0.023552      0.024357
      5.55330      2.36028      7.49148         0.055693      0.000311      0.198347
      4.77200      0.24452      7.98935         0.123065      0.083676      0.017074
      3.76655      1.59971     11.89844         0.064879     -0.135008      0.216286
      7.20776      6.45310      6.10968        -0.098161      0.176443     -0.151802
      5.60243      5.87122     10.64998         0.153521     -0.014571      0.019791
      6.11013      8.03422      9.94060         0.007837     -0.042336      0.072921
      2.04541     16.36813      3.31386         0.026567     -0.008228      0.113600
      0.13320     14.78990     20.20191        -0.044685     -0.093454      0.217806
      0.29432     17.14528     20.66700        -0.004985     -0.188845      0.142450
      1.71975     18.73119      3.70106        -0.018769      0.041577     -0.120942
      0.22045     18.81574     20.86188        -0.027377      0.010560      0.017850
     -0.08197     -0.05181     20.96937        -0.015798     -0.036542      0.094740
      2.52972      4.00515      6.96497         0.076610      0.055240     -0.049152
      2.30192      2.06197      5.81878         0.054275      0.102656     -0.071511
      0.34835      4.21978      2.67191         0.034157     -0.102771      0.106362
      3.27354      7.65272      9.57919         0.106703      0.074480      0.026516
      1.66131      8.26634      5.01977         0.009079      0.051284     -0.135379
      2.42967     10.16589      6.25243         0.060513     -0.005096     -0.157830
      3.62193     17.06690     20.60418        -0.023427     -0.104845      0.005197
      5.84984     13.87672      2.50501        -0.107868      0.002083     -0.068426
      5.87582     16.25910      2.97465        -0.200244     -0.212247     -0.225343
      3.55848     19.36702      0.16119         0.063198      0.038313     -0.028594
      5.94142     17.88002      3.47854        -0.138935      0.162899      0.015738
      6.25020     20.11976      4.32129        -0.096993      0.100772      0.121607
      2.06404      5.62148      0.35670         0.222584     -0.000930     -0.170105
      2.53006      3.34472      0.39169         0.018170     -0.011029     -0.074688
      5.20476      3.95040      3.68686        -0.032756      0.047182     -0.036009
      0.88293     10.21480      0.39141        -0.120925      0.037176      0.119370
      4.70624      8.80997      3.00161        -0.143178     -0.015118     -0.180827
      3.88906     10.98703      3.32185         0.029836     -0.116690     -0.181997
     20.18531     19.50275     15.26364        -0.183105     -0.097917      0.044340
     16.56692     17.88454     12.17932         0.054655      0.033450      0.021118
     17.06682     20.28597     12.32747         0.081320     -0.097528      0.112472
     20.48570      0.33540     15.41556        -0.158773      0.046108      0.134353
     17.02676      0.86961     12.81610         0.087872     -0.000168      0.081794
     17.05432      3.28175     13.24862        -0.073775      0.051581     -0.057872
      2.31357      6.64540     17.91391         0.111386      0.046268     -0.047871
      1.24072      4.70972     17.15984        -0.026702      0.028682     -0.029804
     18.93706      6.97319     16.58313        -0.293036      0.015162     -0.190496
      4.62150     10.11873     19.87534        -0.060224      0.263323      0.094146
      0.07229     10.73387     18.23899         0.074405      0.038744      0.050705
      1.20209     12.59170     19.16542        -0.122174      0.081419     -0.107446
      0.71493     21.20486     13.03738         0.044825     -0.125422      0.015105
      3.47836     17.91361     15.62274        -0.154040      0.200158      0.065048
      3.68287     20.32901     16.09855        -0.138401      0.049027     -0.021915
      1.05193      1.97019     13.35285         0.056764      0.080611      0.153161
      3.49208      0.93173     16.82736        -0.127850      0.028461     -0.154708
      4.12045      3.26121     17.10133        -0.069404      0.041978      0.128674
     19.99448      8.88734     13.79147         0.005593      0.064227      0.018334
     21.00613      6.77626     13.50283        -0.356854      0.015286      0.084088
      3.39045      8.27881     15.09538        -0.017009     -0.108013      0.155784
     17.94481     13.13141     13.89229         0.012185     -0.037266     -0.039514
      1.33644     12.49895     15.17581        -0.055370      0.073119      0.150448
      0.37843     14.63350     15.43555         0.153197      0.129881     -0.041286
     17.55482      2.50161      7.56422        -0.101421     -0.099338      0.016696
     14.83196      1.00015      3.63868         0.161087     -0.011435     -0.022159
     14.91330      3.37892      4.23377         0.124793     -0.109650      0.035889
     17.68291      4.70859      7.81690        -0.180074      0.076293      0.195820
     14.82135      5.11131      4.58455         0.135484      0.075054      0.068557
     14.84744      7.52963      4.82630         0.129487      0.042145     -0.060022
     20.22387     10.95817     10.82185        -0.077720     -0.090337      0.030200
     19.20743      9.04680      9.92421        -0.041991     -0.030599      0.001475
     16.46098     11.57629      7.82341        -0.042910     -0.011142     -0.022786
      1.41052     14.43260     12.44517        -0.225910      0.209222      0.034822
     18.23485     15.07447     10.54911         0.068279      0.089825     -0.000842
     19.48276     17.00670     11.24091        -0.221722      0.135770      0.077616
     19.38981      4.47942      5.19240        -0.079045     -0.003823      0.118189
      0.10539      0.80264      7.96878        -0.107865      0.156251      0.004747
     -0.05327      3.07848      8.90090        -0.004067      0.084255      0.044389
     19.45903      6.26366      5.86120        -0.164166     -0.002936     -0.103269
     -0.28013      5.05734      9.71601         0.036945      0.066362     -0.143308
      0.47527      7.34974     10.14879        -0.182258      0.037165      0.095781
     18.41556     13.47201      4.90724        -0.016566      0.049599     -0.041272
     18.99997     11.21785      5.16638        -0.091957      0.094878      0.069108
      0.55810     12.34687      8.18850         0.023744     -0.122530      0.033900
     17.35062     17.86504      3.98117        -0.031798      0.105995     -0.046862
     20.24151     16.71272      7.71765        -0.196255     -0.031944      0.042379
     19.16483     18.80931      7.75312         0.005532     -0.007281      0.013623
     13.86417     19.28259     10.75432         0.085020     -0.023083     -0.081280
     19.18714     21.07947      3.49112        -0.038186     -0.164705     -0.173330
     12.82592      1.21843      2.63230         0.026647     -0.170784      0.260776
     13.64650     11.54735      4.48422        -0.011530     -0.124742      0.426994
      9.52486      2.61703      2.80161         0.103513     -0.029374     -0.099744
     10.48173     12.75507      5.34698        -0.098173      0.054023     -0.445489
     10.09674      5.12230     15.91777         0.003497      0.015238      0.468022
     10.78260     15.64560     17.79005        -0.017268     -0.321892      0.322881
      7.03906      6.41546     15.46349        -0.168679     -0.201450     -0.017667
      7.30368     16.63498     18.27061        -0.029236      0.251417     -0.409160
      6.76319      8.90729      7.43525        -0.037423     -0.106875      0.316620
      7.55390     19.42000      9.10881        -0.054926      0.004157      0.402341
      3.50386     10.16753      8.84254        -0.106172     -0.080945     -0.090603
      4.13911     20.52994     10.47915        -0.063549      0.195164     -0.423936
      1.74698     12.22479      1.89876         0.214910      0.344743     -0.005529
      1.19841      1.70488      3.34101         0.134130     -0.171162      0.250912
      3.68241     12.71869     20.29443        -0.048088      0.310440      0.059663
      4.33691      1.93146      2.02818        -0.297271     -0.031298     -0.269313
     19.13551     15.44236     14.56144         0.253536     -0.038075      0.177818
     20.01910      4.52660     16.02042         0.202838      0.055477      0.292592
      0.64561     16.97605     12.60594        -0.136826      0.061463     -0.091048
      2.08161      5.92405     14.44456        -0.437265      0.076051     -0.340596
     17.38629     19.80541      5.90238         0.109659     -0.079785      0.085976
     17.21117      8.95048      8.05998         0.214817     -0.072235      0.193620
     19.48095      0.47548      4.20446         0.197328      0.271984      0.294090
     20.61542     10.13952      7.08174        -0.420426     -0.091972     -0.415976
     12.42429      2.29645      4.69287        -0.070606      0.047837      0.197453
     13.65598      1.01470      0.41432        -0.112292      0.003392      0.140675
     13.23058      9.78570      6.03666         0.065205      0.149509     -0.299176
     13.90831     12.59182      2.36763        -0.000547     -0.358645      0.285646
      9.56969      4.44376      1.31018         0.012505      0.086696     -0.136089
      9.30626      1.46033      4.86090         0.212498      0.501935     -0.263945
     10.29620     11.76825      3.20128        -0.021508      0.048353     -0.352477
     10.14673     12.93492      7.68065         0.068706     -0.087790     -0.084754
     10.01180      6.16749     18.03235         0.079504      0.081269     -0.277249
     10.86781      4.89460     13.69403        -0.021744     -0.109281     -0.182478
     10.60039     13.90538     19.40165         0.038640      0.056418     -0.255196
     11.05800     16.64520     15.66838        -0.068715     -0.305653      0.131880
      6.90705      8.26289     14.00272         0.042314      0.079575     -0.259819
      6.59405      5.29636     17.50829         0.320091      0.212184     -0.126064
      7.38561     15.75625     16.06872        -0.079691      0.071520     -0.226029
      7.06170     16.66493     20.60727         0.050233      0.051920      0.096835
      6.76751     10.04611      9.51796         0.046277     -0.042749      0.016274
      7.09675      8.68182      5.10550        -0.053007      0.053566      0.310643
      7.42577     17.69443     10.74097         0.001601      0.227948     -0.368990
      7.73636     20.37853      6.95202        -0.163374     -0.220567      0.297640
      3.15348     11.94769      7.34183         0.115418     -0.084628      0.059183
      3.84882      9.09649     10.94796         0.057065      0.196016     -0.126528
      3.98220     19.39106      8.40550        -0.152593      0.140734     -1.260400
      4.30149     20.76938     12.79710         0.068432      0.192373      0.343366
      2.94712     13.33286      3.63977        -0.446402     -0.102915     -0.459091
      0.14789     12.07714      0.14562        -0.192267     -0.051977     -0.040539
      2.25079      0.18884      4.84880        -0.120826      0.085223     -0.259683
      0.07612      2.43323      1.39153         0.156431     -0.306912      0.156198
      2.99540     14.51413     18.90115        -0.030448     -0.126966      0.094094
      5.00715     11.67547      0.69616        -0.060511     -0.089172     -0.111544
      3.18766      1.12487      0.10232         0.052665      0.092248      0.088726
      5.82306      1.80151      3.87487        -0.258786     -0.210842     -0.414893
     -0.56922     16.62968     15.89807        -0.026622      0.006662      0.012371
     17.15788     15.11704     13.28418         0.166438      0.041938      0.089192
     -0.04634      2.75288     17.05369         0.190793      0.037352      0.137383
     18.33345      5.56582     14.73983         0.127329     -0.204223      0.049452
     21.09127     18.81628     11.37848         0.027126     -0.037770      0.351903
      2.11496     15.77068     14.01453        -0.043410      0.240473      0.054603
      0.51906      4.85356     13.01924        -1.039341      0.084638     -0.910769
      4.05439      6.09349     15.70053        -0.608953     -0.371754      0.016284
     18.18237     20.77663      7.92195         0.037446     -0.031850      0.004242
     15.92854     19.58121      4.04074         0.180631     -0.005113      0.068762
     18.05467      7.21466      9.45725        -0.266380      0.195840     -0.212621
     16.11641      9.93427      6.21563         0.103439     -0.212559      0.189616
     18.49593      2.39962      3.31651         0.250871     -0.140463      0.231920
     20.65104     20.23399      5.54514         0.020806      0.193877      0.127265
     19.27176      9.18151      5.37247        -0.063968      0.044448      0.081356
      0.69418     10.20773      9.01879        -0.734717     -0.664620     -0.665526
     14.01997     17.48002      5.33357        -0.134437     -0.099947      0.099844
     15.93812     16.49975      5.66827        -0.185103     -0.106051     -0.036384
     14.81089     16.15709      3.81698        -0.099210      0.054732      0.278360
     11.92485     15.37041     11.49610        -0.088962     -0.042243      0.013472
     11.43244     14.57314      9.53457         0.029505     -0.104748      0.009785
     13.22607     13.87005     10.63145        -0.026232      0.048839     -0.087677
     11.95641     17.93863      7.24359        -0.074621      0.024914     -0.152785
     10.01388     18.53729      6.44971        -0.102679     -0.038894     -0.077515
     10.17259     16.82326      7.76188         0.023683     -0.123549      0.117724
     13.23795     18.54453      0.11153         0.122372      0.024316     -0.046128
     14.14714     17.12917      1.49176        -0.104197     -0.030885      0.037364
     12.05941     16.89273      0.84739         0.104625      0.081262      0.090518
     10.93244      0.34185     18.33900        -0.029297     -0.153759      0.155548
     12.85744     -0.44520     19.02146        -0.042636     -0.076242      0.109780
     12.00492     20.20177     17.09947         0.094634     -0.009132      0.262183
      8.55252     19.34721      3.51386        -0.024382      0.030325      0.011484
      7.73094     18.80808      1.54579         0.163266     -0.157962     -0.036951
      9.60263     17.94166      2.28592         0.137989      0.058609     -0.097937
      7.64716      0.83774     20.38770         0.021050     -0.119098     -0.293122
      5.90280      1.01397     19.06590         0.061629      0.085382     -0.256553
      6.03523     20.66386     20.51851        -0.067950     -0.039509     -0.018639
      9.99792      1.24886     13.31500        -0.034965     -0.089678     -0.113832
     11.06168     -0.00728     14.71958         0.245643     -0.387122      0.157294
      9.03929     20.73530     14.06807        -0.024892     -0.301824     -0.097526
      8.49028      4.04318      9.61670         0.018577     -0.209693      0.092143
     10.18909      3.03829     10.57009        -0.064967      0.002545      0.086766
      9.53811      2.46731      8.56540         0.220519     -0.070967      0.109901
      6.06061      1.88246     16.17266        -0.047415      0.192150      0.340515
      5.06767      1.30719     14.34089        -0.324127     -0.044790     -0.217082
      6.98312      0.48142     14.85185         0.038259      0.015172     -0.015652
      5.01523      5.09225     12.14536        -0.069125     -0.001451     -0.245655
      3.01426      4.31105     11.74961        -0.164941     -0.129198      0.053803
      4.40295      3.25551     13.02542        -0.093485     -0.108291      0.011996
      7.19110      4.47814      5.29641         0.172080      0.077769     -0.088489
      7.40151      2.94002      6.81323        -0.006542      0.066585      0.035196
      5.41979      3.47473      6.01895         0.042821      0.140436      0.090428
     -0.57948      7.24405      4.48413         0.173110     -0.093372     -0.056205
      1.03608      7.44807      3.09885         0.085801     -0.069064      0.040014
     -0.61989      6.04608      2.69923        -0.014318      0.011138      0.146896
      3.24012      5.71058      9.86413         0.057196     -0.058659      0.073563
      1.82308      4.50152      8.79564        -0.003804      0.166104      0.006249
      3.80451      4.76954      7.96110         0.226292     -0.092582      0.051831
      6.11188      6.97541      3.52372        -0.060808     -0.042462      0.081604
      4.17424      7.52029      4.45777         0.022893     -0.120921     -0.023140
      5.11819      5.71926      5.05209        -0.070874      0.018184     -0.076428
      0.18228      8.64235     20.74369        -0.445222     -0.093671     -0.082463
      1.67418      7.15453     -1.02668         0.401610     -0.118747      0.391735
      0.39158      6.84646      0.66496        -0.332299     -0.077267      0.149359
     19.41553      9.38964     19.05763         0.061632      0.089942     -0.001167
     19.76215     10.33895     17.09932         0.067432     -0.130563      0.073558
     18.27439      8.77504     17.29753         0.108538      0.081127      0.214969
      4.87340      8.13434     19.96704        -0.096810      0.007669     -0.007605
      3.81774      6.71208     18.79937        -0.206468      0.306540      0.099170
      4.75030      8.37164     17.74867        -0.182861     -0.225319      0.212672
      3.37227     11.44145     14.36831        -0.207070      0.105230      0.035429
      2.57695     11.60293     16.39454        -0.169277     -0.204543     -0.119881
      3.99429     10.05981     15.92010         0.112648     -0.079841     -0.059109
     17.32169     11.30260     13.16405         0.010124      0.024846      0.133562
     18.85507      9.90134     12.57828         0.030552      0.125404      0.214867
     18.02044      9.82055     14.60777         0.105006      0.056254      0.031936
     16.21994     14.18884      9.86440         0.143461     -0.032147     -0.135586
     17.78049     14.93925      8.50899         0.122046     -0.175257      0.012872
     16.23533     13.64805      7.73197         0.149614      0.024589      0.071358
      1.77959     12.53050     12.43582         0.075392     -0.038893      0.141805
      0.35115     11.04488     11.89836        -0.044993      0.036429      0.002052
      1.38371     12.17022     10.33383        -0.111094     -0.031055      0.042075
      1.25634     15.64775      7.10465        -0.115391      0.049252     -0.103442
      0.00992     15.71828      8.91040        -0.055672     -0.163878     -0.205728
      1.43875     14.14047      8.67352         0.162942      0.083858     -0.129456
     17.34378     16.15742      2.75546         0.162008      0.076833     -0.139847
     18.89689     14.67133      3.07383         0.174140      0.168860      0.121871
     16.99564     14.54186      4.17222         0.155009      0.062165     -0.150028
 -----------------------------------------------------------------------------------
    total drift:                                0.006251     -0.005805      0.005936


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4569.2921987969 eV

  energy  without entropy=    -4569.4420987849  energy(sigma->0) =    -4569.34216546
 
 d Force = 0.7468128E+00[ 0.307E+00, 0.119E+01]  d Energy = 0.7448521E+00 0.196E-02
 d Force = 0.9056592E+03[ 0.904E+03, 0.908E+03]  d Ewald  = 0.9056557E+03 0.357E-02


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.744852  1 .order   -0.746813   -1.186855   -0.306771
  (g-gl).g = 0.420E+01      g.g   = 0.425E+01  gl.gl    = 0.414E+01
 g(Force)  = 0.425E+01   g(Stress)= 0.000E+00 ortho     =-0.119E-01
 gamma     =   1.01387
 trial     =   0.28025
 opt step  =   0.37794  (harmonic =   0.37794) maximal distance =0.05194357
 next E    = -4569.347625   (d E  =  -0.80028)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   55(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3160
 total energy-change (2. order) : 0.5247009E-01  (-0.5274490E+01)
 number of electron    2498.0000096 magnetization 
 augmentation part      162.5849119 magnetization 

  free energy =  -0.456923971987E+04  energy without entropy=  -0.456938995113E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   55(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) :-0.1092569E+00  (-0.1342953E+00)
 number of electron    2498.0000096 magnetization 
 augmentation part      162.5850712 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8727
  0.8727

  free energy =  -0.456934897673E+04  energy without entropy=  -0.456949879293E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   55(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3688
 total energy-change (2. order) : 0.3394552E-02  (-0.2910698E-02)
 number of electron    2498.0000096 magnetization 
 augmentation part      162.5836272 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4015
  1.1157  1.6872

  free energy =  -0.456934558218E+04  energy without entropy=  -0.456949560888E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   55(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) :-0.8538892E-03  (-0.2307656E-02)
 number of electron    2498.0000096 magnetization 
 augmentation part      162.5747949 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2877
  2.1984  0.8323  0.8323

  free energy =  -0.456934643607E+04  energy without entropy=  -0.456949635120E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   55(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3640
 total energy-change (2. order) :-0.3075431E-03  (-0.4624364E-03)
 number of electron    2498.0000096 magnetization 
 augmentation part      162.5773718 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3373
  2.3945  1.0277  1.0277  0.8992

  free energy =  -0.456934674361E+04  energy without entropy=  -0.456949678589E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   55(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) : 0.2127136E-03  (-0.2956469E-03)
 number of electron    2498.0000096 magnetization 
 augmentation part      162.5794315 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2772
  2.3830  1.0006  1.0006  1.0010  1.0010

  free energy =  -0.456934653090E+04  energy without entropy=  -0.456949648633E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   55(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) :-0.2039070E-04  (-0.4854351E-04)
 number of electron    2498.0000096 magnetization 
 augmentation part      162.5791375 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2471
  2.4066  0.9871  0.9871  1.1831  1.1831  0.7357

  free energy =  -0.456934655129E+04  energy without entropy=  -0.456949663959E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   55(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3464
 total energy-change (2. order) : 0.5302223E-05  (-0.7368553E-05)
 number of electron    2498.0000096 magnetization 
 augmentation part      162.5791375 magnetization 

  free energy =  -0.456934654599E+04  energy without entropy=  -0.456949654498E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0571       2 -56.1454       3 -56.0795       4 -55.8391       5 -55.8380
       6 -56.3140       7 -58.1428       8 -58.2350       9 -56.2864      10 -55.9768
      11 -56.0336      12 -55.8104      13 -55.8194      14 -56.0147      15 -58.0855
      16 -58.0825      17 -56.3689      18 -54.9911      19 -54.9055      20 -55.1201
      21 -55.6663      22 -55.6542      23 -55.7021      24 -55.6173      25 -54.9598
      26 -54.8143      27 -54.9486      28 -54.9257      29 -60.3803      30 -60.3682
      31 -55.6860      32 -55.8510      33 -55.7580      34 -55.3386      35 -55.5144
      36 -56.0034      37 -57.8002      38 -58.0258      39 -56.0836      40 -55.7982
      41 -55.9049      42 -55.7060      43 -55.7346      44 -55.8995      45 -58.0545
      46 -58.1434      47 -56.4525      48 -55.1427      49 -54.9665      50 -55.2688
      51 -55.9057      52 -55.8782      53 -55.7839      54 -55.7420      55 -55.1039
      56 -54.8572      57 -55.0176      58 -56.3744      59 -60.3425      60 -60.6055
      61 -55.9934      62 -56.0515      63 -55.9497      64 -55.7904      65 -55.7746
      66 -56.2557      67 -58.0946      68 -58.1266      69 -56.2615      70 -55.9260
      71 -56.0344      72 -55.7443      73 -55.6982      74 -55.9562      75 -58.0569
      76 -58.1440      77 -56.4654      78 -55.1205      79 -54.9977      80 -55.2534
      81 -55.8780      82 -55.8918      83 -55.9206      84 -55.9298      85 -55.2119
      86 -55.0808      87 -55.2102      88 -56.4561      89 -60.7012      90 -60.4326
      91 -55.7080      92 -55.8286      93 -55.7435      94 -55.4875      95 -55.5452
      96 -56.0433      97 -57.8338      98 -57.9785      99 -56.1733     100 -55.9036
     101 -56.0271     102 -55.6874     103 -55.7361     104 -55.9540     105 -58.0913
     106 -58.2133     107 -56.4983     108 -55.1782     109 -55.0033     110 -55.4211
     111 -55.9990     112 -55.9225     113 -55.7961     114 -55.7911     115 -55.0858
     116 -54.9297     117 -55.0368     118 -56.3789     119 -60.4203     120 -60.6218
     121 -55.9242     122 -55.9791     123 -55.8520     124 -55.7450     125 -55.7496
     126 -56.1562     127 -58.0296     128 -58.1600     129 -56.0940     130 -55.7653
     131 -55.8634     132 -55.6458     133 -55.5811     134 -55.8031     135 -57.8932
     136 -57.9920     137 -56.4565     138 -55.1140     139 -54.9296     140 -55.2707
     141 -55.8758     142 -55.8713     143 -55.9467     144 -55.9044     145 -55.1802
     146 -55.1299     147 -55.2272     148 -56.4418     149 -60.5773     150 -60.5859
     151 -55.6014     152 -55.6320     153 -55.4810     154 -55.3273     155 -55.4123
     156 -55.8695     157 -57.9340     158 -57.8146     159 -55.9580     160 -55.7059
     161 -55.8458     162 -55.4901     163 -55.5535     164 -55.7632     165 -57.9335
     166 -58.1113     167 -56.4371     168 -55.0726     169 -54.8669     170 -55.2880
     171 -55.9336     172 -55.9001     173 -55.8560     174 -55.7770     175 -55.3351
     176 -54.8439     177 -55.0636     178 -56.4914     179 -60.4782     180 -60.6369
     181 -55.9531     182 -56.1248     183 -55.9697     184 -55.7325     185 -55.7104
     186 -56.2520     187 -58.0420     188 -58.1977     189 -56.2591     190 -55.8996
     191 -56.0334     192 -55.7493     193 -55.7336     194 -55.9710     195 -58.0871
     196 -58.1745     197 -56.5314     198 -55.0955     199 -54.9719     200 -55.2970
     201 -55.9136     202 -55.9588     203 -55.9303     204 -55.8615     205 -55.1564
     206 -55.2384     207 -55.1919     208 -56.4689     209 -60.7423     210 -60.5291
     211 -55.9414     212 -56.0736     213 -55.9491     214 -55.7339     215 -55.6851
     216 -56.2147     217 -58.1011     218 -58.2133     219 -56.1057     220 -55.7942
     221 -55.8850     222 -55.5677     223 -55.4815     224 -55.8033     225 -57.9321
     226 -58.0747     227 -56.5404     228 -55.1215     229 -55.0477     230 -55.2620
     231 -55.7811     232 -55.9267     233 -55.9474     234 -55.7131     235 -55.0223
     236 -55.1067     237 -55.2018     238 -56.4613     239 -60.3679     240 -60.3930
     241 -55.9633     242 -56.0063     243 -55.8928     244 -55.7565     245 -55.7659
     246 -56.1980     247 -58.0521     248 -58.1266     249 -56.1905     250 -55.8731
     251 -55.9712     252 -55.7370     253 -55.7191     254 -55.9028     255 -57.9336
     256 -58.0547     257 -56.3458     258 -55.0531     259 -54.8315     260 -55.1779
     261 -55.7892     262 -55.7988     263 -55.8949     264 -55.9703     265 -55.3719
     266 -55.0024     267 -55.1757     268 -56.4564     269 -60.6354     270 -60.3922
     271 -55.9255     272 -56.0007     273 -55.8471     274 -55.7419     275 -55.6923
     276 -56.1170     277 -58.0967     278 -58.1331     279 -55.9866     280 -55.7089
     281 -55.7840     282 -55.5534     283 -55.5163     284 -55.8126     285 -57.9681
     286 -58.0502     287 -56.4065     288 -55.0165     289 -54.9502     290 -55.2520
     291 -55.9046     292 -55.8775     293 -55.8724     294 -55.8465     295 -55.1962
     296 -54.9628     297 -55.0682     298 -56.4185     299 -60.4139     300 -60.5740
     301 -55.8670     302 -56.0066     303 -55.9127     304 -55.6001     305 -55.6323
     306 -56.1326     307 -58.0377     308 -58.1972     309 -56.1491     310 -55.8311
     311 -55.9651     312 -55.6850     313 -55.6505     314 -55.8917     315 -57.9874
     316 -58.0576     317 -56.4256     318 -55.0388     319 -54.8273     320 -55.2522
     321 -55.8161     322 -55.7586     323 -55.8773     324 -55.8938     325 -55.1879
     326 -55.0838     327 -55.2219     328 -56.4472     329 -60.5997     330 -60.4094
     331 -55.8054     332 -55.8218     333 -55.7196     334 -55.6389     335 -55.6070
     336 -56.0729     337 -57.9705     338 -57.9103     339 -55.9370     340 -55.5935
     341 -55.7520     342 -55.5684     343 -55.5512     344 -55.7784     345 -57.9414
     346 -57.9795     347 -56.4649     348 -55.0247     349 -54.9561     350 -55.2459
     351 -55.8388     352 -55.8446     353 -55.8010     354 -55.7728     355 -55.2307
     356 -54.9108     357 -55.0234     358 -56.4445     359 -60.4593     360 -60.5486
     361 -39.1344     362 -38.8004     363 -38.9681     364 -39.0825     365 -39.0127
     366 -38.7691     367 -38.1019     368 -38.0795     369 -38.0598     370 -38.1010
     371 -38.1042     372 -38.1590     373 -38.7679     374 -38.2935     375 -38.7292
     376 -38.8578     377 -38.8415     378 -38.7618     379 -38.1427     380 -38.1219
     381 -38.3031     382 -38.0997     383 -38.2226     384 -38.0214     385 -38.9153
     386 -38.7800     387 -38.8657     388 -38.8779     389 -38.8401     390 -38.5694
     391 -38.1889     392 -38.2441     393 -38.1997     394 -38.1480     395 -38.2358
     396 -38.3359     397 -38.7334     398 -38.3913     399 -38.7334     400 -38.9012
     401 -38.7565     402 -38.7772     403 -38.2781     404 -38.1923     405 -38.4206
     406 -38.0777     407 -38.1071     408 -37.9332     409 -38.7843     410 -38.7588
     411 -38.9553     412 -38.7432     413 -38.8907     414 -38.6518     415 -38.2403
     416 -38.2437     417 -38.1946     418 -38.2400     419 -38.2507     420 -38.3099
     421 -38.5502     422 -38.2873     423 -38.5258     424 -38.7100     425 -38.5514
     426 -38.6326     427 -38.1738     428 -38.0854     429 -38.4048     430 -38.3175
     431 -38.1185     432 -38.0368     433 -38.8649     434 -38.7098     435 -38.9318
     436 -38.7417     437 -39.0219     438 -38.6445     439 -38.4892     440 -38.1067
     441 -38.1380     442 -38.2411     443 -38.3199     444 -38.1103     445 -38.8584
     446 -38.7605     447 -38.8413     448 -38.7624     449 -38.7853     450 -38.3990
     451 -38.1101     452 -38.0289     453 -38.1444     454 -38.0395     455 -38.0378
     456 -38.0673     457 -38.9043     458 -38.6696     459 -38.8687     460 -38.9229
     461 -38.8928     462 -38.7205     463 -38.2837     464 -38.2400     465 -38.2075
     466 -38.4402     467 -38.1258     468 -38.2703     469 -38.8840     470 -38.6991
     471 -38.7589     472 -38.8058     473 -38.5871     474 -38.4657     475 -38.1559
     476 -38.1049     477 -38.2352     478 -38.1350     479 -38.1704     480 -38.0520
     481 -38.8723     482 -38.7473     483 -38.8764     484 -38.8799     485 -38.9385
     486 -38.7841     487 -38.1844     488 -38.1910     489 -38.2132     490 -38.2206
     491 -38.1946     492 -38.3761     493 -38.8438     494 -38.5387     495 -38.6898
     496 -38.8107     497 -38.5352     498 -38.5165     499 -38.2054     500 -37.9483
     501 -38.1897     502 -38.1763     503 -38.1135     504 -37.9900     505 -38.2318
     506 -41.2458     507 -71.7105     508 -71.6209     509 -71.4365     510 -71.5857
     511 -71.6531     512 -71.5677     513 -71.3906     514 -71.6190     515 -71.6108
     516 -71.4927     517 -71.4355     518 -71.4245     519 -71.5883     520 -71.6943
     521 -71.6186     522 -71.4844     523 -71.5474     524 -71.4527     525 -71.6154
     526 -71.3985     527 -71.6239     528 -71.5459     529 -71.2265     530 -71.4960
     531 -76.9040     532 -76.7508     533 -76.7283     534 -76.6625     535 -76.6814
     536 -76.4397     537 -76.8764     538 -76.6605     539 -76.6855     540 -76.6760
     541 -76.7897     542 -76.6343     543 -76.6278     544 -76.4871     545 -76.9029
     546 -76.7146     547 -76.7936     548 -76.6579     549 -76.6012     550 -76.4883
     551 -76.4435     552 -76.6107     553 -76.8941     554 -76.6357     555 -76.7315
     556 -76.7677     557 -76.7989     558 -76.7063     559 -76.7956     560 -76.7659
     561 -76.7043     562 -76.5225     563 -76.8022     564 -76.6512     565 -76.7216
     566 -76.5221     567 -76.7553     568 -76.7271     569 -76.8866     570 -76.5555
     571 -76.8337     572 -76.6791     573 -76.6759     574 -76.6031     575 -76.4986
     576 -76.5800     577 -76.6866     578 -76.4736     579 -82.3970     580 -82.2610
     581 -82.2480     582 -82.3545     583 -82.2446     584 -82.2341     585 -82.4118
     586 -82.5102     587 -82.5903     588 -82.2349     589 -82.0755     590 -82.2746
     591 -82.4081     592 -82.1995     593 -82.2444     594 -82.7591     595 -82.4547
     596 -82.6955     597 -82.4217     598 -82.4758     599 -82.6181     600 -82.2069
     601 -82.1333     602 -82.5257     603 -82.5666     604 -82.3753     605 -82.5990
     606 -82.5520     607 -82.4632     608 -82.4591     609 -82.7206     610 -82.4178
     611 -82.4167     612 -82.5260     613 -82.3073     614 -82.2306     615 -82.4963
     616 -82.5171     617 -82.3898     618 -82.8297     619 -82.6447     620 -82.7972
     621 -82.2065     622 -82.4217     623 -82.4575     624 -82.3770     625 -82.2696
     626 -82.2815     627 -82.2633     628 -82.3018     629 -82.2105     630 -82.4853
     631 -82.5395     632 -82.3464     633 -82.4493     634 -82.4438     635 -82.5097
     636 -82.2984     637 -82.2711     638 -82.1905     639 -82.1413     640 -82.3621
     641 -82.3610     642 -82.4977     643 -82.5664     644 -82.4010     645 -82.3706
     646 -82.4426     647 -82.5438     648 -82.3729     649 -82.3312     650 -82.2651
 
 
 
 E-fermi :  -1.4720     XC(G=0):  -6.4908     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.2516      2.00000
      2     -29.0668      2.00000
      3     -28.9853      2.00000
      4     -28.9644      2.00000
      5     -28.9434      2.00000
      6     -28.9296      2.00000
      7     -28.8730      2.00000
      8     -28.8320      2.00000
      9     -28.8298      2.00000
     10     -28.8205      2.00000
     11     -28.8131      2.00000
     12     -28.8092      2.00000
     13     -28.7887      2.00000
     14     -28.7702      2.00000
     15     -28.7158      2.00000
     16     -28.6970      2.00000
     17     -28.6958      2.00000
     18     -28.5945      2.00000
     19     -28.5904      2.00000
     20     -28.5861      2.00000
     21     -28.5556      2.00000
     22     -28.5457      2.00000
     23     -28.5286      2.00000
     24     -28.5166      2.00000
     25     -27.0867      2.00000
     26     -26.7316      2.00000
     27     -26.7033      2.00000
     28     -26.7020      2.00000
     29     -26.6485      2.00000
     30     -26.6127      2.00000
     31     -26.6050      2.00000
     32     -26.5929      2.00000
     33     -26.5897      2.00000
     34     -26.5849      2.00000
     35     -26.5801      2.00000
     36     -26.5711      2.00000
     37     -26.5689      2.00000
     38     -26.5583      2.00000
     39     -26.5474      2.00000
     40     -26.5422      2.00000
     41     -26.5065      2.00000
     42     -26.4871      2.00000
     43     -26.4848      2.00000
     44     -26.4711      2.00000
     45     -26.4641      2.00000
     46     -26.4597      2.00000
     47     -26.4517      2.00000
     48     -26.4513      2.00000
     49     -26.4334      2.00000
     50     -26.4311      2.00000
     51     -26.4246      2.00000
     52     -26.4154      2.00000
     53     -26.4008      2.00000
     54     -26.4005      2.00000
     55     -26.3869      2.00000
     56     -26.3845      2.00000
     57     -26.3398      2.00000
     58     -26.3341      2.00000
     59     -26.3261      2.00000
     60     -26.3213      2.00000
     61     -26.2880      2.00000
     62     -26.2797      2.00000
     63     -26.2716      2.00000
     64     -26.2632      2.00000
     65     -26.2565      2.00000
     66     -26.2416      2.00000
     67     -26.2410      2.00000
     68     -26.2317      2.00000
     69     -26.2186      2.00000
     70     -26.2046      2.00000
     71     -26.1769      2.00000
     72     -26.1619      2.00000
     73     -23.3294      2.00000
     74     -23.2818      2.00000
     75     -23.2732      2.00000
     76     -23.2061      2.00000
     77     -23.1980      2.00000
     78     -23.1278      2.00000
     79     -23.1117      2.00000
     80     -23.1049      2.00000
     81     -23.0998      2.00000
     82     -23.0980      2.00000
     83     -23.0637      2.00000
     84     -23.0472      2.00000
     85     -23.0443      2.00000
     86     -23.0278      2.00000
     87     -23.0139      2.00000
     88     -23.0088      2.00000
     89     -23.0087      2.00000
     90     -22.9591      2.00000
     91     -22.9569      2.00000
     92     -22.9254      2.00000
     93     -22.9208      2.00000
     94     -22.9055      2.00000
     95     -22.8924      2.00000
     96     -22.8748      2.00000
     97     -22.8634      2.00000
     98     -22.7415      2.00000
     99     -22.7314      2.00000
    100     -22.6665      2.00000
    101     -22.6577      2.00000
    102     -22.6460      2.00000
    103     -22.6432      2.00000
    104     -22.6406      2.00000
    105     -22.6125      2.00000
    106     -22.6019      2.00000
    107     -22.5838      2.00000
    108     -22.5824      2.00000
    109     -22.5548      2.00000
    110     -22.5480      2.00000
    111     -22.5095      2.00000
    112     -22.5063      2.00000
    113     -22.4963      2.00000
    114     -22.4925      2.00000
    115     -22.4776      2.00000
    116     -22.4275      2.00000
    117     -22.4262      2.00000
    118     -22.4117      2.00000
    119     -22.4055      2.00000
    120     -22.4015      2.00000
    121     -20.5180      2.00000
    122     -20.4087      2.00000
    123     -20.3992      2.00000
    124     -20.3919      2.00000
    125     -20.3622      2.00000
    126     -20.3622      2.00000
    127     -20.3239      2.00000
    128     -20.3147      2.00000
    129     -20.2962      2.00000
    130     -20.2797      2.00000
    131     -20.2778      2.00000
    132     -20.2673      2.00000
    133     -20.2539      2.00000
    134     -20.2313      2.00000
    135     -20.2214      2.00000
    136     -20.2042      2.00000
    137     -20.1965      2.00000
    138     -20.1902      2.00000
    139     -20.1891      2.00000
    140     -20.1576      2.00000
    141     -20.1502      2.00000
    142     -20.1426      2.00000
    143     -20.1101      2.00000
    144     -20.0037      2.00000
    145     -18.6664      2.00000
    146     -18.5425      2.00000
    147     -18.5117      2.00000
    148     -18.5023      2.00000
    149     -18.5004      2.00000
    150     -18.4762      2.00000
    151     -18.4382      2.00000
    152     -18.4344      2.00000
    153     -18.4309      2.00000
    154     -18.4255      2.00000
    155     -18.3492      2.00000
    156     -18.3382      2.00000
    157     -18.3293      2.00000
    158     -18.2431      2.00000
    159     -18.2332      2.00000
    160     -18.2219      2.00000
    161     -18.2130      2.00000
    162     -18.2027      2.00000
    163     -18.1678      2.00000
    164     -18.1625      2.00000
    165     -18.1500      2.00000
    166     -18.1486      2.00000
    167     -18.0967      2.00000
    168     -18.0699      2.00000
    169     -17.9360      2.00000
    170     -17.9232      2.00000
    171     -17.9124      2.00000
    172     -17.8904      2.00000
    173     -17.8530      2.00000
    174     -17.8318      2.00000
    175     -17.8082      2.00000
    176     -17.7917      2.00000
    177     -17.7719      2.00000
    178     -17.7603      2.00000
    179     -17.7387      2.00000
    180     -17.7078      2.00000
    181     -17.6112      2.00000
    182     -17.5760      2.00000
    183     -17.5614      2.00000
    184     -17.5368      2.00000
    185     -17.5202      2.00000
    186     -17.5090      2.00000
    187     -17.5058      2.00000
    188     -17.4986      2.00000
    189     -17.4942      2.00000
    190     -17.4871      2.00000
    191     -17.4671      2.00000
    192     -17.4319      2.00000
    193     -16.7645      2.00000
    194     -16.7234      2.00000
    195     -16.6894      2.00000
    196     -16.6750      2.00000
    197     -16.6311      2.00000
    198     -16.6164      2.00000
    199     -16.5937      2.00000
    200     -16.5595      2.00000
    201     -16.5274      2.00000
    202     -16.5069      2.00000
    203     -16.4992      2.00000
    204     -16.4803      2.00000
    205     -16.1799      2.00000
    206     -16.1528      2.00000
    207     -16.1350      2.00000
    208     -16.1235      2.00000
    209     -16.0837      2.00000
    210     -16.0629      2.00000
    211     -16.0303      2.00000
    212     -15.9839      2.00000
    213     -15.9769      2.00000
    214     -15.9311      2.00000
    215     -15.9071      2.00000
    216     -15.8050      2.00000
    217     -15.7809      2.00000
    218     -15.6628      2.00000
    219     -15.6484      2.00000
    220     -15.6315      2.00000
    221     -15.6289      2.00000
    222     -15.6190      2.00000
    223     -15.6036      2.00000
    224     -15.5885      2.00000
    225     -15.5762      2.00000
    226     -15.5529      2.00000
    227     -15.5222      2.00000
    228     -15.4978      2.00000
    229     -15.4739      2.00000
    230     -15.4672      2.00000
    231     -15.4628      2.00000
    232     -15.4559      2.00000
    233     -15.4461      2.00000
    234     -15.4324      2.00000
    235     -15.4241      2.00000
    236     -15.4184      2.00000
    237     -15.4023      2.00000
    238     -15.3973      2.00000
    239     -15.3843      2.00000
    240     -15.3773      2.00000
    241     -15.3689      2.00000
    242     -15.3514      2.00000
    243     -15.3417      2.00000
    244     -15.3359      2.00000
    245     -15.3283      2.00000
    246     -15.3202      2.00000
    247     -15.3139      2.00000
    248     -15.3087      2.00000
    249     -15.2991      2.00000
    250     -15.2746      2.00000
    251     -15.2706      2.00000
    252     -15.2670      2.00000
    253     -15.2623      2.00000
    254     -15.2495      2.00000
    255     -15.2312      2.00000
    256     -15.2194      2.00000
    257     -15.2156      2.00000
    258     -15.2070      2.00000
    259     -15.1975      2.00000
    260     -15.1945      2.00000
    261     -15.1829      2.00000
    262     -15.1743      2.00000
    263     -15.1653      2.00000
    264     -15.1389      2.00000
    265     -15.1298      2.00000
    266     -15.1189      2.00000
    267     -15.1145      2.00000
    268     -15.0925      2.00000
    269     -15.0706      2.00000
    270     -15.0478      2.00000
    271     -14.9889      2.00000
    272     -14.9814      2.00000
    273     -14.9466      2.00000
    274     -14.9302      2.00000
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   1409       4.3095      0.00000
   1410       4.3260      0.00000
   1411       4.3385      0.00000
   1412       4.3512      0.00000
   1413       4.3636      0.00000
   1414       4.3756      0.00000
   1415       4.3947      0.00000
   1416       4.4039      0.00000
   1417       4.4155      0.00000
   1418       4.4248      0.00000
   1419       4.4433      0.00000
   1420       4.4613      0.00000
   1421       4.4703      0.00000
   1422       4.4751      0.00000
   1423       4.4933      0.00000
   1424       4.5076      0.00000
   1425       4.5336      0.00000
   1426       4.5541      0.00000
   1427       4.5695      0.00000
   1428       4.5854      0.00000
   1429       4.5868      0.00000
   1430       4.6335      0.00000
   1431       4.6402      0.00000
   1432       4.6743      0.00000
   1433       4.6819      0.00000
   1434       4.7013      0.00000
   1435       4.7643      0.00000
   1436       4.7798      0.00000
   1437       4.8081      0.00000
   1438       4.8222      0.00000
   1439       4.8419      0.00000
   1440       4.8506      0.00000
   1441       4.8718      0.00000
   1442       4.8828      0.00000
   1443       4.9071      0.00000
   1444       4.9310      0.00000
   1445       4.9486      0.00000
   1446       4.9552      0.00000
   1447       4.9590      0.00000
   1448       4.9814      0.00000
   1449       4.9971      0.00000
   1450       5.0058      0.00000
   1451       5.0195      0.00000
   1452       5.0525      0.00000
   1453       5.0556      0.00000
   1454       5.0758      0.00000
   1455       5.0891      0.00000
   1456       5.1045      0.00000
   1457       5.1125      0.00000
   1458       5.1287      0.00000
   1459       5.1360      0.00000
   1460       5.1423      0.00000
   1461       5.1683      0.00000
   1462       5.2012      0.00000
   1463       5.2048      0.00000
   1464       5.2185      0.00000
   1465       5.2254      0.00000
   1466       5.2416      0.00000
   1467       5.2472      0.00000
   1468       5.2593      0.00000
   1469       5.2772      0.00000
   1470       5.2858      0.00000
   1471       5.3044      0.00000
   1472       5.3106      0.00000
   1473       5.3155      0.00000
   1474       5.3248      0.00000
   1475       5.3315      0.00000
   1476       5.3436      0.00000
   1477       5.3504      0.00000
   1478       5.3603      0.00000
   1479       5.3711      0.00000
   1480       5.3783      0.00000
   1481       5.3915      0.00000
   1482       5.3948      0.00000
   1483       5.4111      0.00000
   1484       5.4219      0.00000
   1485       5.4272      0.00000
   1486       5.4374      0.00000
   1487       5.4465      0.00000
   1488       5.4599      0.00000
   1489       5.4740      0.00000
   1490       5.4798      0.00000
   1491       5.4838      0.00000
   1492       5.4878      0.00000
   1493       5.4939      0.00000
   1494       5.5006      0.00000
   1495       5.5091      0.00000
   1496       5.5130      0.00000
   1497       5.5247      0.00000
   1498       5.5417      0.00000
   1499       5.5451      0.00000
   1500       5.5536      0.00000
   1501       5.5659      0.00000
   1502       5.5747      0.00000
   1503       5.5884      0.00000
   1504       5.5980      0.00000
   1505       5.6019      0.00000
   1506       5.6240      0.00000
   1507       5.6296      0.00000
   1508       5.6398      0.00000
   1509       5.6509      0.00000
   1510       5.6614      0.00000
   1511       5.6670      0.00000
   1512       5.6738      0.00000
   1513       5.6823      0.00000
   1514       5.6907      0.00000
   1515       5.7033      0.00000
   1516       5.7175      0.00000
   1517       5.7270      0.00000
   1518       5.7335      0.00000
   1519       5.7527      0.00000
   1520       5.7638      0.00000
   1521       5.7719      0.00000
   1522       5.7789      0.00000
   1523       5.7851      0.00000
   1524       5.8006      0.00000
   1525       5.8064      0.00000
   1526       5.8158      0.00000
   1527       5.8249      0.00000
   1528       5.8310      0.00000
   1529       5.8399      0.00000
   1530       5.8625      0.00000
   1531       5.8721      0.00000
   1532       5.8823      0.00000
   1533       5.8839      0.00000
   1534       5.8948      0.00000
   1535       5.9152      0.00000
   1536       5.9191      0.00000
   1537       5.9206      0.00000
   1538       5.9270      0.00000
   1539       5.9397      0.00000
   1540       5.9436      0.00000
   1541       5.9541      0.00000
   1542       5.9691      0.00000
   1543       5.9788      0.00000
   1544       5.9871      0.00000
   1545       5.9975      0.00000
   1546       6.0024      0.00000
   1547       6.0154      0.00000
   1548       6.0188      0.00000
   1549       6.0240      0.00000
   1550       6.0327      0.00000
   1551       6.0498      0.00000
   1552       6.0515      0.00000
   1553       6.0561      0.00000
   1554       6.0686      0.00000
   1555       6.0782      0.00000
   1556       6.0902      0.00000
   1557       6.1098      0.00000
   1558       6.1120      0.00000
   1559       6.1227      0.00000
   1560       6.1317      0.00000
   1561       6.1434      0.00000
   1562       6.1487      0.00000
   1563       6.1587      0.00000
   1564       6.1680      0.00000
   1565       6.1740      0.00000
   1566       6.1798      0.00000
   1567       6.1838      0.00000
   1568       6.1960      0.00000
   1569       6.1981      0.00000
   1570       6.2098      0.00000
   1571       6.2137      0.00000
   1572       6.2217      0.00000
   1573       6.2350      0.00000
   1574       6.2386      0.00000
   1575       6.2449      0.00000
   1576       6.2708      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.089  13.413  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.413  17.833  -0.001   0.002  -0.000   0.003  -0.006   0.000
 -0.001  -0.001  -4.234   0.003   0.001   8.282  -0.005  -0.001
  0.001   0.002   0.003  -4.234   0.001  -0.005   8.280  -0.001
 -0.000  -0.000   0.001   0.001  -4.227  -0.001  -0.001   8.272
  0.002   0.003   8.282  -0.005  -0.001 -18.328   0.007   0.002
 -0.004  -0.006  -0.005   8.280  -0.001   0.007 -18.323  -0.000
  0.000   0.000  -0.001  -0.001   8.272   0.002  -0.000 -18.317
 total augmentation occupancy for first ion, spin component:           1
  8.443  -3.800   0.147   0.133  -0.032   0.018   0.025  -0.005
 -3.800   1.784  -0.074  -0.093   0.018  -0.007  -0.015   0.003
  0.147  -0.074   1.787  -0.066  -0.041   0.169  -0.012  -0.008
  0.133  -0.093  -0.066   1.889  -0.081  -0.012   0.176  -0.011
 -0.032   0.018  -0.041  -0.081   1.223  -0.008  -0.011   0.080
  0.018  -0.007   0.169  -0.012  -0.008   0.018  -0.002  -0.001
  0.025  -0.015  -0.012   0.176  -0.011  -0.002   0.018  -0.001
 -0.005   0.003  -0.008  -0.011   0.080  -0.001  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -51349.24295 95544.42326 25005.55513-11252.04965  6717.51004 20721.49298
  Hartree  4254.02847122418.94832 63047.31147-11640.61538  4669.63822 15060.86351
  E(xc)  -10732.94212-10586.02629-10628.81411     2.75120     8.08771    32.37797
  Local   13663.19542************************ 22884.47665-11406.76334-35203.02535
  n-local -5843.29441 -5974.27783 -6029.68850     3.82990    16.70892   -62.45690
  augment  1494.61332  1534.98113  1487.17892     4.84288    12.36507    -2.95020
  Kinetic 45507.91404 43208.48364 43659.16203   -24.85672   -71.67933  -557.96402
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -97.8695203   -426.2784957   -160.1890118    -21.6211243    -54.1327098    -11.6620103
  in kB      -16.3205259    -71.0853512    -26.7127999     -3.6054955     -9.0270627     -1.9447336
  external PRESSURE =     -38.0395590 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.237E+03 -.116E+03 0.251E+03   0.237E+03 0.117E+03 -.252E+03   -.634E-01 -.538E+00 0.162E+01   -.124E-03 0.139E-03 0.119E-02
   -.195E+03 -.140E+03 0.612E+02   0.195E+03 0.141E+03 -.610E+02   0.369E+00 -.110E+01 -.438E+00   -.316E-03 0.512E-03 0.753E-03
   -.168E+03 -.127E+03 0.342E+01   0.168E+03 0.128E+03 -.188E+01   0.247E+00 -.110E+01 -.180E+01   0.329E-03 0.427E-04 0.718E-03
   -.222E+03 -.100E+03 0.341E+03   0.222E+03 0.999E+02 -.344E+03   -.240E+00 -.100E+00 0.255E+01   0.886E-03 0.457E-03 0.126E-02
   -.169E+03 -.149E+03 0.303E+03   0.169E+03 0.150E+03 -.304E+03   0.239E+00 -.805E+00 0.106E+01   0.113E-02 0.426E-03 0.111E-02
   -.154E+03 -.111E+03 0.167E+03   0.154E+03 0.111E+03 -.167E+03   0.479E-01 -.459E-01 0.169E-01   0.738E-03 0.120E-03 0.915E-03
   -.243E+03 -.130E+03 0.186E+03   0.243E+03 0.134E+03 -.188E+03   0.568E+00 -.451E+01 0.943E+00   -.110E-02 0.104E-02 0.125E-02
   -.184E+03 -.116E+03 0.332E+02   0.184E+03 0.120E+03 -.352E+02   -.487E+00 -.404E+01 0.196E+01   -.104E-02 0.749E-03 0.567E-03
   -.112E+03 0.611E+01 0.195E+03   0.112E+03 -.622E+01 -.195E+03   0.137E-01 -.961E-01 0.147E+00   0.612E-03 -.126E-03 0.350E-03
   -.858E+02 0.879E+02 0.627E+02   0.853E+02 -.893E+02 -.616E+02   0.442E+00 0.151E+01 -.133E+01   0.693E-03 -.921E-03 -.657E-04
   -.953E+02 0.107E+03 0.139E+03   0.951E+02 -.108E+03 -.139E+03   0.218E+00 0.963E+00 0.225E-01   0.229E-03 -.114E-02 -.840E-03
   -.110E+03 0.172E+00 0.333E+03   0.110E+03 -.563E+00 -.334E+03   -.238E-01 0.348E+00 0.123E+01   0.459E-03 0.101E-03 -.107E-03
   -.116E+03 -.408E+02 0.363E+03   0.116E+03 0.419E+02 -.365E+03   -.119E+00 -.753E+00 0.246E+01   -.923E-05 -.768E-03 -.578E-03
   -.120E+03 0.246E+02 0.308E+03   0.120E+03 -.249E+02 -.310E+03   -.143E+00 -.162E-01 0.177E+01   -.149E-03 -.859E-03 -.322E-03
   -.116E+03 0.109E+03 0.274E+03   0.116E+03 -.113E+03 -.277E+03   0.429E+00 0.403E+01 0.230E+01   -.404E-03 -.166E-02 -.115E-02
   -.919E+02 0.118E+03 0.104E+03   0.918E+02 -.121E+03 -.107E+03   0.342E-01 0.295E+01 0.342E+01   -.985E-04 -.146E-02 -.133E-02
   -.771E+02 0.115E+03 0.568E+02   0.774E+02 -.111E+03 -.526E+02   -.259E+00 -.470E+01 -.427E+01   -.467E-03 -.766E-03 -.352E-03
   -.116E+02 0.205E+03 -.151E+03   0.110E+02 -.207E+03 0.154E+03   0.641E+00 0.191E+01 -.213E+01   -.245E-03 -.161E-02 0.821E-04
   0.254E+02 0.151E+03 -.201E+03   -.255E+02 -.151E+03 0.202E+03   0.315E+00 0.201E+00 -.190E+01   -.109E-03 -.144E-02 0.361E-03
   -.741E+02 0.114E+03 0.182E+03   0.752E+02 -.113E+03 -.186E+03   -.109E+01 -.733E+00 0.318E+01   -.906E-03 -.149E-02 0.276E-03
   -.604E+01 0.721E+02 0.109E+00   0.492E+01 -.738E+02 0.100E+01   0.115E+01 0.163E+01 -.130E+01   -.122E-02 -.107E-02 -.195E-03
   -.111E+01 0.145E+02 -.135E+03   0.110E+01 -.148E+02 0.136E+03   -.610E-01 0.124E+00 -.752E+00   -.629E-03 -.667E-03 -.181E-03
   -.417E+02 -.324E+02 -.178E+03   0.420E+02 0.328E+02 0.178E+03   -.281E+00 -.340E+00 0.762E+00   -.556E-03 -.120E-03 0.294E-03
   -.507E+02 -.684E+02 -.233E+03   0.520E+02 0.700E+02 0.231E+03   -.131E+01 -.152E+01 0.116E+01   -.551E-03 0.586E-04 -.155E-03
   -.282E+02 -.157E+03 -.343E+03   0.277E+02 0.158E+03 0.345E+03   0.462E+00 -.543E+00 -.175E+01   -.289E-04 0.673E-03 -.755E-03
   -.111E+03 -.165E+03 -.161E+03   0.112E+03 0.166E+03 0.159E+03   -.890E+00 -.286E+00 0.191E+01   -.582E-03 0.682E-04 0.148E-02
   -.957E+02 -.282E+03 -.194E+03   0.961E+02 0.283E+03 0.194E+03   -.378E+00 -.820E+00 0.324E+00   -.252E-03 0.154E-03 0.127E-02
   -.461E+02 -.264E+03 -.297E+03   0.461E+02 0.266E+03 0.298E+03   0.105E+00 -.125E+01 -.483E+00   0.263E-04 0.565E-03 -.276E-03
   -.525E+02 -.187E+02 -.222E+03   0.585E+02 0.261E+02 0.217E+03   -.605E+01 -.767E+01 0.505E+01   0.827E-04 0.619E-04 -.568E-03
   -.512E+01 0.532E+02 0.254E+02   0.364E+00 -.620E+02 -.208E+02   0.506E+01 0.867E+01 -.478E+01   -.305E-02 0.159E-03 -.914E-03
   -.215E+03 -.288E+02 -.439E+02   0.216E+03 0.292E+02 0.455E+02   -.327E+00 -.381E-01 -.179E+01   0.214E-04 -.359E-03 0.335E-03
   -.147E+03 -.151E+03 0.134E+03   0.147E+03 0.152E+03 -.134E+03   -.437E-01 -.123E+01 -.149E+00   -.595E-03 -.292E-03 0.762E-03
   -.156E+03 -.155E+03 0.184E+03   0.156E+03 0.157E+03 -.185E+03   0.219E+00 -.168E+01 0.115E+01   -.112E-02 -.104E-03 0.268E-03
   -.313E+03 0.727E+01 -.164E+03   0.313E+03 -.911E+01 0.166E+03   0.154E+00 0.169E+01 -.286E+01   0.898E-03 0.341E-04 -.142E-03
   -.300E+03 -.684E+02 -.187E+03   0.300E+03 0.686E+02 0.188E+03   0.947E-01 -.141E+00 -.138E+01   0.883E-03 -.643E-03 0.857E-05
   -.223E+03 -.717E+02 0.116E+00   0.222E+03 0.716E+02 -.875E-01   0.281E+00 0.177E+00 0.331E-01   -.293E-03 -.789E-03 0.882E-04
   -.123E+03 -.535E+02 -.939E+01   0.124E+03 0.568E+02 0.124E+02   -.937E+00 -.404E+01 -.269E+01   -.168E-03 -.497E-03 0.552E-03
   -.757E+02 -.145E+03 0.114E+03   0.762E+02 0.148E+03 -.111E+03   -.333E+00 -.320E+01 -.367E+01   -.448E-03 -.824E-03 0.171E-02
   -.197E+03 0.470E+02 -.750E+01   0.197E+03 -.473E+02 0.741E+01   0.111E+00 0.170E+00 -.441E-02   -.655E-03 -.120E-02 -.918E-04
   -.112E+03 0.562E+02 0.200E+03   0.111E+03 -.573E+02 -.201E+03   0.442E+00 0.105E+01 0.194E+01   -.135E-02 -.751E-03 -.114E-02
   -.832E+02 0.818E+02 0.108E+03   0.833E+02 -.833E+02 -.108E+03   -.199E+00 0.127E+01 0.247E+00   -.103E-02 -.872E-03 -.626E-03
   -.230E+03 0.889E+02 -.227E+03   0.231E+03 -.899E+02 0.228E+03   -.107E+00 0.946E+00 -.936E+00   -.898E-05 -.114E-02 -.182E-04
   -.190E+03 0.436E+02 -.301E+03   0.190E+03 -.438E+02 0.304E+03   0.183E+00 0.293E+00 -.227E+01   -.177E-03 -.156E-02 -.493E-03
   -.120E+03 0.625E+02 -.159E+03   0.121E+03 -.636E+02 0.161E+03   -.246E+00 0.824E+00 -.160E+01   -.634E-03 -.749E-03 -.549E-03
   -.654E+02 0.104E+03 -.102E+03   0.652E+02 -.108E+03 0.103E+03   0.166E+00 0.486E+01 -.647E+00   -.981E-03 -.515E-03 -.245E-03
   -.265E+02 0.848E+02 0.130E+03   0.261E+02 -.892E+02 -.128E+03   0.513E+00 0.430E+01 -.202E+01   -.131E-02 -.138E-02 -.137E-03
   0.234E+02 0.533E+02 0.995E+02   -.219E+02 -.478E+02 -.102E+03   -.141E+01 -.565E+01 0.204E+01   -.166E-02 0.271E-03 -.505E-03
   -.127E+02 0.132E+03 0.274E+03   0.137E+02 -.134E+03 -.277E+03   -.103E+01 0.130E+01 0.253E+01   -.210E-02 -.252E-04 -.221E-03
   -.420E+02 0.125E+03 0.238E+03   0.429E+02 -.124E+03 -.240E+03   -.100E+01 -.303E+00 0.205E+01   -.262E-02 0.387E-03 -.321E-03
   0.419E+02 0.756E+02 -.498E+02   -.428E+02 -.758E+02 0.528E+02   0.803E+00 0.200E+00 -.318E+01   -.213E-02 0.421E-03 -.105E-02
   0.548E+01 0.271E+02 0.334E+02   -.516E+01 -.281E+02 -.358E+02   -.244E+00 0.104E+01 0.218E+01   -.234E-02 0.101E-02 -.480E-03
   -.195E+02 0.146E+02 0.915E+02   0.200E+02 -.144E+02 -.925E+02   -.550E+00 -.186E+00 0.864E+00   -.235E-02 0.121E-02 -.285E-03
   -.803E+02 0.587E+01 0.421E+02   0.802E+02 -.597E+01 -.414E+02   0.816E-01 0.479E-01 -.581E+00   -.217E-02 0.149E-02 -.801E-04
   -.160E+03 -.137E+02 0.932E+02   0.159E+03 0.147E+02 -.913E+02   0.846E+00 -.867E+00 -.161E+01   -.204E-02 0.135E-02 0.315E-03
   -.253E+03 -.721E+02 0.165E+03   0.254E+03 0.722E+02 -.168E+03   -.149E+01 -.135E+00 0.296E+01   -.177E-02 0.972E-03 0.876E-03
   -.855E+02 -.111E+03 -.117E+03   0.852E+02 0.110E+03 0.119E+03   0.430E+00 0.496E+00 -.187E+01   -.206E-02 0.131E-02 -.931E-04
   -.115E+03 -.121E+03 -.163E+03   0.114E+03 0.122E+03 0.166E+03   0.703E+00 -.124E+01 -.281E+01   -.171E-02 0.953E-03 0.260E-04
   -.183E+03 -.544E+02 0.288E+02   0.182E+03 0.484E+02 -.269E+02   0.130E+01 0.602E+01 -.215E+01   -.162E-02 0.712E-03 0.462E-03
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   0.104E+03 0.169E+03 -.264E+03   -.101E+03 -.196E+03 0.310E+03   -.377E+01 0.266E+02 -.456E+02   0.105E-02 -.662E-03 0.234E-02
   -.377E+03 -.930E+02 0.372E+03   0.399E+03 0.111E+03 -.418E+03   -.217E+02 -.177E+02 0.460E+02   0.144E-02 -.643E-03 0.160E-03
   -.398E+03 0.361E+03 -.813E+02   0.428E+03 -.402E+03 0.950E+02   -.303E+02 0.413E+02 -.137E+02   0.140E-02 0.887E-03 0.139E-02
   0.219E+03 0.335E+03 0.150E+03   -.264E+03 -.353E+03 -.167E+03   0.444E+02 0.191E+02 0.174E+02   0.488E-02 0.378E-03 0.137E-02
   0.590E+03 -.179E+03 0.150E+03   -.622E+03 0.209E+03 -.120E+03   0.319E+02 -.298E+02 -.301E+02   -.106E-02 -.881E-03 -.473E-02
   0.177E+03 -.286E+03 0.235E+03   -.146E+03 0.322E+03 -.257E+03   -.310E+02 -.362E+02 0.229E+02   -.408E-02 -.157E-02 -.423E-02
   0.782E+03 0.173E+03 0.508E+03   -.816E+03 -.190E+03 -.546E+03   0.343E+02 0.170E+02 0.386E+02   -.475E-02 0.112E-02 -.130E-02
   0.108E+03 -.141E+03 -.410E+03   -.918E+02 0.151E+03 0.462E+03   -.161E+02 -.101E+02 -.522E+02   0.153E-02 0.776E-03 0.427E-02
   0.537E+03 0.422E+03 -.225E+03   -.573E+03 -.456E+03 0.232E+03   0.360E+02 0.341E+02 -.770E+01   0.982E-03 0.183E-02 0.275E-02
   -.588E+02 0.218E+03 0.109E+03   0.985E+02 -.243E+03 -.134E+03   -.395E+02 0.250E+02 0.259E+02   0.188E-02 0.120E-02 0.244E-02
   -.545E+03 -.222E+03 0.482E+03   0.591E+03 0.241E+03 -.498E+03   -.463E+02 -.187E+02 0.160E+02   0.178E-02 -.835E-03 0.319E-03
   0.641E+02 -.388E+03 0.523E+02   -.925E+02 0.427E+03 -.318E+02   0.284E+02 -.399E+02 -.206E+02   0.261E-02 -.211E-02 -.177E-02
   -.812E+02 0.591E+02 -.345E+01   0.887E+02 -.896E+02 0.479E+02   -.750E+01 0.305E+02 -.445E+02   0.858E-03 -.134E-03 -.141E-02
   0.780E+03 -.183E+03 0.612E+02   -.819E+03 0.216E+03 -.841E+02   0.383E+02 -.325E+02 0.228E+02   -.567E-02 0.149E-02 0.149E-02
   0.191E+03 0.366E+03 0.184E+03   -.171E+03 -.391E+03 -.224E+03   -.197E+02 0.245E+02 0.397E+02   -.489E-02 0.285E-02 0.103E-02
   0.689E+03 0.329E+03 0.124E+03   -.719E+03 -.368E+03 -.987E+02   0.294E+02 0.384E+02 -.253E+02   -.296E-02 0.678E-03 -.629E-03
   0.692E+03 -.116E+03 -.442E+03   -.696E+03 0.126E+03 0.495E+03   0.460E+01 -.956E+01 -.529E+02   0.219E-03 0.220E-02 0.198E-02
   0.510E+03 -.418E+03 -.946E+02   -.503E+03 0.463E+03 0.701E+02   -.674E+01 -.446E+02 0.245E+02   -.893E-03 0.157E-02 0.138E-02
   0.943E+03 0.140E+03 -.909E+02   -.991E+03 -.152E+03 0.748E+02   0.487E+02 0.121E+02 0.163E+02   0.143E-02 0.200E-02 0.398E-02
   -.423E+03 0.434E+02 -.391E+03   0.455E+03 -.427E+02 0.433E+03   -.312E+02 -.744E+00 -.414E+02   0.398E-03 0.231E-02 0.248E-03
   -.105E+01 0.516E+03 -.957E+02   -.399E+01 -.568E+03 0.941E+02   0.489E+01 0.523E+02 0.176E+01   -.229E-02 0.340E-02 -.106E-02
   -.237E+03 -.101E+03 0.170E+03   0.262E+03 0.113E+03 -.213E+03   -.257E+02 -.119E+02 0.430E+02   0.102E-02 0.742E-03 0.179E-03
   -.308E+03 -.308E+03 0.975E+02   0.324E+03 0.336E+03 -.137E+03   -.167E+02 -.274E+02 0.393E+02   -.157E-02 -.261E-02 -.157E-02
   0.911E+02 -.486E+03 -.277E+03   -.102E+03 0.519E+03 0.316E+03   0.111E+02 -.342E+02 -.387E+02   -.474E-03 -.534E-02 -.390E-02
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   0.864E+03 -.531E+02 -.176E+03   -.909E+03 0.755E+02 0.157E+03   0.446E+02 -.223E+02 0.193E+02   0.143E-02 -.602E-03 0.410E-02
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   0.739E+03 0.295E+03 -.416E+03   -.756E+03 -.328E+03 0.454E+03   0.171E+02 0.329E+02 -.376E+02   0.332E-02 0.297E-02 0.371E-02
   0.386E+03 -.568E+02 -.616E+03   -.416E+03 0.694E+02 0.655E+03   0.310E+02 -.127E+02 -.388E+02   -.434E-03 -.215E-02 0.521E-03
   0.850E+01 -.395E+03 -.894E+02   0.191E+02 0.438E+03 0.765E+02   -.274E+02 -.431E+02 0.129E+02   -.479E-02 -.145E-02 0.622E-02
   0.248E+03 0.163E+03 0.124E+03   -.280E+03 -.168E+03 -.166E+03   0.321E+02 0.543E+01 0.428E+02   -.368E-02 -.239E-02 0.828E-03
   -.231E+03 -.173E+03 -.395E+03   0.271E+03 0.180E+03 0.430E+03   -.399E+02 -.739E+01 -.353E+02   -.110E-02 -.188E-02 0.239E-02
   0.251E+03 0.351E+03 -.220E+03   -.264E+03 -.399E+03 0.235E+03   0.138E+02 0.484E+02 -.148E+02   0.126E-02 -.117E-02 0.304E-02
   -.601E+02 -.577E+02 0.129E+03   0.828E+02 0.525E+02 -.177E+03   -.228E+02 0.519E+01 0.477E+02   0.128E-02 -.209E-02 0.391E-02
   -.253E+03 -.405E+03 0.411E+03   0.280E+03 0.435E+03 -.444E+03   -.277E+02 -.295E+02 0.329E+02   0.673E-02 0.493E-02 0.254E-03
   0.150E+03 -.493E+03 -.145E+03   -.168E+03 0.524E+03 0.182E+03   0.182E+02 -.306E+02 -.367E+02   0.672E-02 0.693E-03 0.227E-02
   -.245E+03 -.114E+03 0.170E+02   0.281E+03 0.860E+02 0.111E+02   -.359E+02 0.283E+02 -.283E+02   0.536E-02 0.191E-02 0.746E-03
   0.241E+02 -.182E+03 0.830E+03   -.494E+02 0.210E+03 -.869E+03   0.254E+02 -.277E+02 0.397E+02   0.356E-02 -.110E-02 -.596E-02
   -.168E+03 0.209E+03 0.612E+03   0.204E+03 -.237E+03 -.638E+03   -.354E+02 0.288E+02 0.255E+02   0.252E-02 -.242E-02 -.807E-02
   0.134E+03 0.399E+03 0.329E+03   -.170E+03 -.430E+03 -.313E+03   0.364E+02 0.311E+02 -.156E+02   -.126E-02 -.229E-02 -.588E-02
 -----------------------------------------------------------------------------------------------
   0.752E+01 0.108E+01 -.229E+02   0.273E-11 -.313E-11 0.199E-11   -.744E+01 -.106E+01 0.227E+02   -.838E-01 -.324E-01 0.128E+00
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.05637      3.16098      1.35119         0.003470      0.314736      0.232301
     12.84290      3.57578      2.67018         0.086237      0.180618     -0.274936
     12.82641      4.93317      3.02296        -0.020836      0.116974     -0.266511
     13.08925      4.09355      0.31914         0.063325     -0.175301      0.025411
     12.96966      5.44235      0.65297         0.086964      0.057331      0.031778
     12.93543      5.91542      1.99153        -0.065834      0.084583     -0.030336
     13.21603      1.68981      1.33591         0.145356     -0.416298     -0.509746
     12.66030      2.34704      3.49526        -0.008402      0.047741     -0.028346
     13.04957      7.40541      2.23409        -0.107738     -0.210503      0.161825
     13.05021      7.99119      3.52937        -0.046888      0.108275     -0.222370
     13.30591      9.36338      3.65628        -0.015622     -0.097399     -0.162036
     13.21225      8.28692      1.13427         0.048130     -0.042056      0.035000
     13.43565      9.65630      1.26621        -0.003512      0.338472      0.263240
     13.50992     10.19477      2.55450        -0.023162     -0.248684      0.247221
     13.73182     11.58494      3.05303         0.024410      0.812814     -0.528516
     13.38942     10.19224      4.89117        -0.096134     -0.166460      0.415740
     13.72207     12.66973      5.40240         0.088665     -0.154851     -0.030512
     13.44405     12.54908      6.77388         0.082380      0.102238      0.061254
     13.45261     13.66633      7.61598         0.160944     -0.027744     -0.030964
     14.07997     13.95309      4.97836         0.017227      0.225601      0.060964
     14.09808     15.07110      5.84458         0.027407     -0.030970     -0.195644
     13.78530     14.98992      7.24081        -0.071536     -0.154051      0.306084
     13.85894     16.10523      8.30090         0.073417      0.043710      0.176686
     13.28331     16.08504      9.63692         0.037312      0.092276     -0.163142
     13.36547     17.20994     10.47437        -0.048233      0.002535      0.099080
     14.53436     17.32708      8.02259         0.077939     -0.053832      0.086970
     14.52679     18.46540      8.83957        -0.010260     -0.098367     -0.090291
     13.92552     18.41731     10.08753         0.068969      0.034848     -0.083929
     12.47959     14.98491     10.30415        -0.055611     -0.216959     -0.138706
     14.66932     16.29386      5.16724         0.301604     -0.124181     -0.157795
      9.74907      3.84848      4.77571         0.044468      0.360350     -0.194903
      9.73865      4.78115      3.73354        -0.032646      0.095652      0.281420
      9.83503      6.16076      4.00291         0.009830     -0.097597      0.091907
      9.87314      4.25694      6.09843         0.002408     -0.147896     -0.057422
      9.92496      5.61791      6.37593         0.098156      0.021857     -0.278384
      9.92489      6.60653      5.35479        -0.006120      0.106268      0.061324
      9.50422      2.49652      4.23344         0.000643     -0.722089      0.297247
      9.60020      4.01404      2.44981         0.070867     -0.099552     -0.040471
     10.00504      8.06224      5.74868         0.028019     -0.067112     -0.099824
     10.09058      9.10225      4.78319         0.123497      0.039039      0.262256
     10.21434     10.42403      5.21768        -0.097018     -0.203496     -0.004391
      9.97357      8.45098      7.11767        -0.030995     -0.054170     -0.177872
     10.03507      9.78530      7.53522         0.045305      0.118529     -0.023828
     10.18928     10.77594      6.57104         0.003530     -0.273773     -0.454125
     10.27497     12.24919      6.67131        -0.018336      0.670733      0.580657
     10.33235     11.67227      4.41466         0.136853     -0.042622      0.519495
     10.77624     14.11476      4.95532         0.027722     -0.107162      0.009610
     11.27870     14.43028      3.68725        -0.012678      0.078881     -0.058682
     11.68444     15.73498      3.38659        -0.125086      0.170188      0.043797
     10.66516     15.19362      5.84125        -0.126600      0.007496     -0.189667
     11.01623     16.52026      5.51726         0.074068      0.118382     -0.121516
     11.57317     16.87638      4.21727        -0.020893      0.057106     -0.086204
     12.01908     18.28247      3.69938        -0.002448     -0.051710      0.119627
     12.58004     18.69147      2.41954        -0.028834      0.096735      0.329200
     12.88911     20.04270      2.15546        -0.076290     -0.056733      0.026226
     11.91108     19.38525      4.57436         0.113545      0.023908     -0.074365
     12.18889     20.72924      4.30270        -0.069573     -0.206968      0.162176
     12.63711     21.10319      3.03695         0.122141      0.000737     -0.196289
     12.99739     17.82390      1.24544         0.160960     -0.410691     -0.207181
     10.79503     17.43826      6.71643         0.082426      0.260484     -0.006860
     10.38686      7.08179     14.65453         0.115485      0.302011      0.242590
     10.28157      7.49617     15.98981         0.133136      0.011599     -0.292035
     10.31759      8.85748     16.34699         0.077567      0.169683     -0.329348
     10.40072      8.03783     13.63670         0.133402     -0.064119      0.085460
     10.34335      9.39714     13.98115         0.110113     -0.010680      0.139282
     10.37096      9.86680     15.32564         0.020655      0.169192      0.092651
     10.48036      5.58799     14.62608         0.146416     -0.239500     -0.746398
     10.11939      6.24390     16.80776        -0.026023      0.090624      1.358301
     10.46382     11.38789     15.58428         0.010707     -0.207027      0.085522
     10.48712     11.98892     16.88382         0.010727     -0.018906     -0.187310
     10.63540     13.38551     17.01112         0.016915      0.036268     -0.067491
     10.56257     12.28979     14.48190         0.027836     -0.112845      0.089884
     10.70695     13.67621     14.61858        -0.024416      0.138127      0.127324
     10.75214     14.22662     15.90017         0.049704     -0.261101      0.211329
     10.89396     15.64386     16.36138         0.028811      0.725551     -0.291989
     10.66934     14.26236     18.23321        -0.037867      0.024458      0.466873
     10.70723     16.81213     18.67039         0.076547     -0.081423     -0.169985
     10.12194     16.75248     19.93695         0.072677      0.161726      0.031728
      9.94058     17.91070     20.70702        -0.021963      0.044549      0.067771
     11.15191     18.09583     18.29744         0.012075      0.076744      0.041146
     11.02522     19.25636     19.10138         0.032805     -0.021270      0.160377
     10.39824     19.21883     20.42390        -0.134966     -0.098159     -0.069806
     10.16328     20.35317      0.21288         0.002079      0.108421     -0.097011
      9.53434     20.30739      1.52721         0.122103     -0.092204     -0.109028
      9.32943      0.19914      2.31781        -0.058173     -0.119058     -0.132340
     10.55636      0.42192     21.17178        -0.058811     -0.148704     -0.279276
     10.26693      1.57868      0.64371        -0.052717     -0.049836      0.147274
      9.67432      1.49515      1.91219        -0.004920      0.075473     -0.127683
      8.89544     19.11198      2.20950        -0.295587     -0.171166     -0.404721
     11.69110     20.45266     18.41196         0.341873      0.031992     -0.180978
      7.22364      7.64495     17.44602        -0.034254      0.198046     -0.055146
      7.17023      8.58672     16.41314        -0.157733     -0.005601      0.171687
      7.15104      9.96529     16.68416         0.074694      0.064678      0.160548
      7.33996      8.04868     18.77185         0.070149     -0.042578     -0.050838
      7.35969      9.41879     19.04339         0.031791      0.003644     -0.081156
      7.25439     10.41600     18.03667        -0.005171      0.152273     -0.077478
      6.93172      6.30113     16.88553        -0.017521     -0.600732      0.299292
      7.02290      7.81818     15.12873         0.142174     -0.023719     -0.133060
      7.23178     11.88287     18.44882         0.010548     -0.186525     -0.041530
      7.24571     12.96605     17.52164         0.083925     -0.033056      0.148868
      7.23294     14.28454     18.00075        -0.015577     -0.104464      0.178300
      7.23415     12.22268     19.83179         0.042705     -0.151255     -0.213659
      7.25305     13.53675     20.29637         0.032081      0.234451     -0.054845
      7.21683     14.57406     19.37008         0.022435     -0.212816     -0.335633
      7.18567     16.04585     19.55636        -0.032680      0.337365      0.336402
      7.30614     15.58843     17.27225         0.000602      0.027852      0.092604
      7.54001     18.04142     17.98320         0.147111     -0.143408     -0.057229
      8.27795     18.41503     16.85852        -0.024691     -0.007593     -0.035972
      8.61642     19.74984     16.64486         0.014995      0.155125     -0.040365
      7.14703     19.10152     18.82106        -0.125228     -0.126351     -0.183461
      7.42616     20.46747     18.55977         0.227104      0.119660     -0.307022
      8.22741     20.87638     17.39590         0.040052     -0.005597      0.086115
      8.74912      1.01500     16.91301         0.029012      0.041533     -0.086906
      9.39225      1.38924     15.65434         0.080884     -0.236563     -0.031642
      9.83362      2.71012     15.38959        -0.148606     -0.200874      0.027829
      8.65713      2.13297     17.76654         0.097246     -0.098722      0.153671
      9.14991      3.42306     17.53164         0.103061      0.240411     -0.008217
      9.71988      3.77393     16.29009         0.056718     -0.251306      0.290432
      9.82977      0.50687     14.45651         0.457334      0.516590      0.215619
      6.76935      0.10874     19.60574         0.103511      0.279195     -0.017123
      6.94112     10.86476      6.12475        -0.005364      0.277255      0.185234
      6.81542     11.30197      7.44294         0.040899      0.128454     -0.203642
      6.87578     12.67147      7.77631         0.046728     -0.057227     -0.165801
      7.19382     11.78408      5.10342        -0.078811     -0.205514      0.138228
      7.27882     13.13805      5.43381        -0.060531      0.076860      0.130325
      7.09293     13.64166      6.75347         0.055433      0.147788      0.023745
      6.93018      9.37941      6.09959         0.048283     -0.447665     -0.486170
      6.76028     10.06712      8.29583        -0.001940      0.094014      0.465379
      7.19316     15.15038      6.99479         0.000664     -0.307745      0.073520
      7.08842     15.77497      8.27145         0.075473      0.006377     -0.195638
      7.23156     17.17284      8.37317        -0.014982      0.031818     -0.142587
      7.46069     16.00578      5.89027        -0.071548     -0.113754      0.081382
      7.51425     17.39360      5.98726        -0.061675      0.126649      0.283034
      7.39025     17.98108      7.24950        -0.057981     -0.120444      0.095858
      7.57257     19.40448      7.68160         0.030278      0.408914     -0.463658
      7.38854     18.05848      9.57093         0.027167     -0.298401      0.839091
      7.62746     20.59166      9.98154         0.016580     -0.106652     -0.094489
      7.17014     20.56910     11.30486         0.089159      0.003532     -0.029567
      7.12892      0.47717     12.07275        -0.018714      0.039466     -0.005861
      8.14480      0.58167      9.57499         0.027724     -0.264948      0.068482
      8.21298      1.72180     10.41017        -0.039971      0.128929      0.257675
      7.63543      1.75247     11.74686        -0.014567     -0.044211      0.071054
      7.48444      2.91110     12.78846         0.089374      0.244198     -0.009722
      6.87560      2.85592     14.11257         0.084141     -0.035235      0.129772
      6.70083      4.00758     14.91639         0.161024     -0.252315     -0.323441
      7.92915      4.24414     12.50850        -0.082473     -0.476301     -0.124935
      7.72631      5.38773     13.29204         0.013837     -0.050613      0.054129
      7.11496      5.29199     14.55199         0.110389      0.467419     -0.107545
      6.26517      1.64956     14.85144         0.323791     -0.046417     -0.300847
      9.08192      2.80752      9.80463         0.275662      0.019788      0.058427
      4.19485     11.49372     10.66707         0.036951      0.202592     -0.120815
      3.93470     12.35815      9.60467         0.073240      0.020165      0.108654
      3.96712     13.74755      9.75420         0.151499     -0.091717      0.068020
      4.53006     12.02008     11.91462         0.015656     -0.081157     -0.259799
      4.55470     13.41166     12.07695         0.061791     -0.055738     -0.111215
      4.28611     14.31728     11.01449         0.049979      0.152897     -0.183421
      3.86650     10.10258     10.24692         0.000996     -0.258534      0.070372
      3.49329     11.53602      8.44381        -0.119104      0.400346     -0.580347
      4.33112     15.81774     11.22284         0.125939     -0.059744     -0.110530
      4.04559     16.77313     10.19797         0.149151      0.118300      0.213054
      4.13114     18.14727     10.49111        -0.041336     -0.180111     -0.084347
      4.74764     16.32571     12.48067         0.024394     -0.090906     -0.039169
      4.79755     17.68596     12.77207        -0.066332      0.197411     -0.159678
      4.43645     18.59110     11.77454        -0.062174     -0.200161     -0.127686
      4.30723     20.06412     11.80903         0.000540     -0.204184     -0.433272
      4.04564     19.37019      9.59904         0.040090     -0.184680      1.995802
      4.35582      0.65479     10.07177         0.036449     -0.363421      0.135873
      4.78775      0.98740      8.78729         0.052182     -0.022705      0.038093
      5.26002      2.27229      8.52055         0.081170      0.091943     -0.017222
      4.24722      1.74994     10.94513         0.054165     -0.059978     -0.115778
      4.73430      3.05656     10.67246         0.165654      0.257808     -0.258639
      5.36805      3.38252      9.40432         0.036213      0.002956     -0.193782
      5.97820      4.75212      8.86094         0.056587     -0.359175      0.095762
      6.47804      5.04287      7.53192         0.065875      0.136222      0.235540
      6.81348      6.36009      7.11356        -0.006455     -0.093803     -0.006069
      5.96206      5.91944      9.64298         0.136521      0.322651      0.008446
      6.24707      7.23249      9.22455        -0.071938     -0.257915     -0.062678
      6.63508      7.51440      7.90582        -0.082570      0.167473      0.111066
      6.62867      4.00426      6.43512        -0.081913     -0.223648      0.048295
      4.32854      3.94739     11.85406        -0.028461     -0.182610      0.199428
      0.95216     14.20585      0.89389        -0.219428      0.202847     -0.161526
      1.57906     14.64714      2.05998        -0.163434     -0.042750     -0.132769
      1.60151     16.03179      2.37889        -0.148523     -0.069624     -0.384419
      0.50657     15.10619     21.18002         0.052881     -0.080225      0.289939
      0.60932     16.46635      0.20585        -0.162701     -0.034382     -0.050767
      1.06261     16.99100      1.44444         0.085096     -0.160624      0.251193
      0.86230     12.72795      0.88648         0.249378      0.000218      0.051463
      2.17821     13.38560      2.68380         0.659284     -0.117385      0.910996
      0.95438     18.50884      1.63990         0.078850     -0.229208     -0.027472
      1.32079     19.23057      2.81217        -0.037612      0.141932     -0.030483
      1.17576     20.63430      2.82777        -0.159503      0.049132     -0.337908
      0.46863     19.28862      0.54819         0.021039     -0.157523      0.162623
      0.28334     20.66487      0.58952        -0.143191      0.339166     -0.128811
      0.61882      0.08356      1.75484         0.198728     -0.304974      0.190936
      0.56367      1.53489      2.07067        -0.104577      0.485337     -0.260366
      1.61297      0.39845      3.82377         0.361747     -0.173554      0.571003
      1.37385      2.93555      4.06595        -0.221090      0.191715     -0.215144
      1.96057      2.97358      5.32887         0.019059      0.048498      0.058759
      2.08770      4.17890      6.01277        -0.114857      0.021176     -0.224000
      0.87505      4.17918      3.62056        -0.042914     -0.050196     -0.187454
      0.98353      5.38767      4.35057        -0.073588     -0.024273     -0.326420
      1.68857      5.47936      5.60515         0.100123     -0.134829      0.053768
      2.05712      6.71093      6.46513         0.096049     -0.081446      0.338080
      2.53840      6.66817      7.82487        -0.133592      0.443630     -0.178388
      2.97728      7.79355      8.54956        -0.090864     -0.065512     -0.273765
      2.03450      8.05737      6.01122         0.090996     -0.055721     -0.010759
      2.50920      9.18557      6.70942         0.037857     -0.047888      0.178937
      3.02424      9.08304      8.02597        -0.128205     -0.011695     -0.278206
      2.82109      5.44057      8.61463        -0.432198     -0.321208     -0.019454
      0.21793      6.51012      3.66009        -0.133441     -0.022585      0.190676
      4.66530     14.07996      0.68983         0.061863      0.205503      0.090214
      4.06143     14.98158     -0.19221         0.140057     -0.132353      0.139847
      4.08222     16.37872      0.05885         0.072866      0.106364      0.271821
      5.33383     14.55793      1.82048        -0.067882     -0.075768     -0.098303
      5.33081     15.93060      2.07923         0.011821      0.155882      0.035613
      4.69423     16.90449      1.25682        -0.099984     -0.125624     -0.080780
      4.50339     12.67618      0.19784         0.069029     -0.025256      0.243288
      3.49954     14.12202     19.94322        -0.466009      0.483109     -0.478468
      4.73917     18.38107      1.72985        -0.161961     -0.108299     -0.222809
      4.14926     19.50540      1.06644         0.096615     -0.135894      0.077593
      4.32607     20.80906      1.58356         0.081065      0.142647      0.150331
      5.44041     18.68280      2.93162        -0.101403     -0.145352     -0.115971
      5.62642     19.96787      3.43805        -0.113856      0.244393     -0.122912
      5.07101     21.04063      2.73962        -0.094002      0.070318     -0.112826
      5.15438      1.25568      2.99981         0.301439      0.423445      0.502653
      3.85961      0.90611      1.09805        -0.244244      0.110831     -0.338099
      4.01795      3.38204      1.97433         0.248723     -0.206840      0.072584
      3.10063      3.96778      1.07620         0.070857      0.026861     -0.065024
      2.85315      5.35541      1.04471         0.043931      0.243983     -0.126002
      4.55684      4.31075      2.88979         0.023799      0.161600     -0.148034
      4.27016      5.70441      2.83996        -0.041723      0.315751      0.207584
      3.46288      6.36302      1.85898        -0.399472      0.200633     -0.400598
      3.13602      7.94865      1.72656        -0.173733     -0.095352     -0.096045
      2.06765      8.54234      0.94190        -0.182979     -0.229382      0.234190
      1.66799      9.88460      1.04970         0.210347      0.406493      0.227333
      3.77400      8.99958      2.46712         0.326876     -0.197459     -0.140780
      3.33966     10.33864      2.62504         0.087305      0.078541      0.257535
      2.23046     10.83897      1.92449        -0.009588     -0.200591     -0.295774
      1.08849      7.81650      0.03872         0.155090     -0.468426     -0.146989
      4.90660      6.48366      3.95895         0.088537     -0.159354     -0.215362
     18.07178     17.33990     13.64518         0.281002      0.167285      0.270367
     19.09825     17.80580     14.47359        -0.129602      0.228216      0.010257
     19.36903     19.17520     14.61477        -0.161847      0.069277     -0.068921
     17.34413     18.23973     12.86432        -0.012318     -0.111199      0.094930
     17.63578     19.60624     12.97201         0.003916      0.012574      0.180848
     18.59683     20.12719     13.88369         0.081981      0.124965      0.068996
     18.01055     15.85620     13.76328        -0.463747     -0.536044     -0.287263
     19.76588     16.61942     15.09939        -0.019344     -0.054801     -0.115530
     18.72382      0.37253     14.10272        -0.019350     -0.347688      0.000547
     19.69101      0.94568     14.97880        -0.230602      0.075730     -0.051964
     19.63824      2.31948     15.25497        -0.180528     -0.030179     -0.187821
     17.79345      1.25790     13.49218         0.076902     -0.104926      0.113120
     17.78124      2.63303     13.73383         0.195081      0.130788      0.142685
     18.70954      3.15863     14.63195         0.170988     -0.225015      0.068932
     18.93966      4.55655     15.08897        -0.300261      0.743595     -0.128494
     20.42646      3.15320     16.21616        -0.113892      0.142133      0.022695
     20.63103      5.68726     16.66464        -0.071213     -0.581343     -0.112658
      0.67862      5.64228     17.14447         0.116678      0.085219      0.152296
      1.29376      6.79707     17.63466        -0.544408      0.051132     -0.175789
     19.97604      6.90316     16.85512        -0.168026      0.183138      0.191807
     20.56320      8.04743     17.44713         0.254904      0.041907      0.109367
      0.70497      8.06527     17.82940         0.258005      0.207833      0.053838
      1.60003      9.22083     18.44162        -0.537560      0.141927     -0.247157
      2.94549      9.15377     18.95371         0.316198      0.390339      0.420288
      3.60687     10.29470     19.52793        -0.217730      0.167888     -0.182261
      1.07507     10.53631     18.58676         0.248927     -0.020325     -0.071568
      1.73962     11.65432     19.12785        -0.269489     -0.176161     -0.073374
      3.03599     11.57988     19.64782        -0.012408     -0.527821     -0.252198
      4.03200      8.06811     18.88278         0.138003     -0.326857     -0.226251
     19.52629      9.13149     17.72810        -0.231071     -0.065066     -0.191610
      1.94960     18.19884     14.12614        -0.081509      0.468487     -0.131963
      1.22194     19.13147     13.37530         0.087585      0.144549      0.190782
      1.30493     20.50775     13.63315         0.077741      0.042795      0.129212
      2.84056     18.64542     15.10554        -0.168648     -0.235487     -0.007677
      2.92851     20.01918     15.36919        -0.037798     -0.087283     -0.125314
      2.15858     20.99079     14.67239        -0.261767      0.184736      0.101778
      1.63193     16.83605     13.63557         0.128817     -0.674472      0.221247
      0.45616     18.37497     12.33610        -0.344017      0.100661     -0.566894
      2.28644      1.21143     15.00591        -0.134278     -0.217494      0.085977
      1.68340      2.22391     14.20946         0.122271      0.125946      0.147608
      1.93683      3.57366     14.49999         0.020652     -0.395378     -0.063523
      3.05173      1.65177     16.12607        -0.113982     -0.035934     -0.242539
      3.40026      2.99354     16.32600        -0.057066      0.232881     -0.207036
      2.87107      3.96146     15.46925        -0.382960     -0.383813     -0.324582
      3.10718      5.41827     15.28767         0.761919      0.787565      0.357533
      1.37720      4.79610     13.85273         1.508761      0.023422      1.346063
      1.61721      7.29545     14.38327         0.151211     -0.138432      0.133469
      0.31960      7.57352     13.95847        -0.045666      0.033080     -0.066028
     21.02577      8.84522     14.09494         0.020916      0.226920     -0.015119
      2.34396      8.41108     14.84223        -0.208474      0.113056     -0.159330
      1.79642      9.71690     14.95475         0.012924      0.183664     -0.087042
      0.41196     10.01730     14.56631        -0.059165     -0.010265     -0.049383
     20.87934     11.37445     14.55659         0.038751     -0.122477      0.060196
     19.50067     11.66826     14.15008         0.183171     -0.065496      0.138255
     18.96784     12.97549     14.21586         0.031608     -0.066478      0.085078
      0.28143     12.55547     14.95942        -0.000094     -0.081549      0.048213
     -0.25709     13.84529     15.05716        -0.018437     -0.176109      0.051674
     19.68661     14.09937     14.65502        -0.152410      0.160780     -0.064207
     18.44685     10.68866     13.63940        -0.183519     -0.398222     -0.095345
      2.90107     10.69303     15.41441        -0.160043      0.125762     -0.033026
     16.14607      0.41670      5.23358         0.134924      0.240066      0.183506
     16.87550      0.83409      6.34930        -0.126121      0.146369     -0.227061
     16.92779      2.19235      6.72567        -0.131161      0.007039     -0.103808
     15.41262      1.33125      4.49684         0.152620     -0.110744     -0.033644
     15.47082      2.67547      4.85408         0.125439      0.109978      0.141505
     16.22496      3.16711      5.94731        -0.002411      0.043814      0.005686
     16.41753     20.24817      4.94821        -0.070968     -0.308329     -0.373699
     17.57222     20.87425      6.86955         0.360034     -0.051335      0.387630
     16.24419      4.67461      6.18273         0.045941     -0.284893      0.141408
     17.00544      5.30095      7.20345        -0.244020      0.057900      0.024886
     16.92983      6.69535      7.37468        -0.174689     -0.045122     -0.110067
     15.46043      5.53306      5.36413         0.095996     -0.110132      0.088843
     15.45708      6.92131      5.49020         0.164662      0.141111      0.119596
     16.21227      7.51192      6.50063         0.097771     -0.302415      0.116407
     16.45605      8.94026      6.85238        -0.195072      0.471599     -0.287242
     17.49309      7.58076      8.43230         0.387675     -0.167764      0.728816
     17.74844     10.11705      8.73446        -0.139649     -0.037871     -0.013539
     18.80703     10.01210      9.63563        -0.062826      0.195493      0.133766
     19.37695     11.15592     10.19805        -0.157588     -0.130979      0.025914
     17.27789     11.42861      8.52000         0.038189     -0.033090      0.134468
     17.82190     12.57210      9.15832         0.125358     -0.069552     -0.079957
     18.95650     12.48391     10.05312         0.108000      0.021413      0.065894
     19.75270     13.57494     10.80672        -0.109908      0.083783     -0.020140
     21.03924     13.46198     11.46668         0.170076      0.112247      0.002410
      0.42796     14.59351     12.01252         0.093860     -0.088359     -0.113001
     19.24614     14.89699     10.89483        -0.071255     -0.133801     -0.115455
     19.91986     16.02537     11.37779         0.161946     -0.110403      0.094916
     21.17908     15.89426     11.98114        -0.002672     -0.071498     -0.009039
      0.78063     12.29664     11.53988        -0.143104      0.054257     -0.256783
     17.04453     13.82424      8.81416        -0.231206      0.219054      0.102045
     20.37842      1.36245      6.13007        -0.132563      0.240084      0.044620
     19.79622      2.40808      5.40366         0.003922      0.118617      0.191888
     19.78860      3.71951      5.86201        -0.096756     -0.180367      0.067633
     20.90080      1.61389      7.39319         0.031692     -0.112443      0.095245
     20.81220      2.91620      7.90074        -0.090023      0.057419      0.040444
     20.28386      4.01046      7.15992        -0.066391     -0.018968      0.026668
     20.23753      0.11385      5.33977        -0.038025     -0.513966     -0.173957
     19.17841      1.84033      4.17259        -0.395998      0.358358     -0.509090
     20.32023      5.42706      7.66039         0.045454      0.029020      0.156384
     19.93524      6.47641      6.80329         0.042899      0.276425      0.277696
     20.22579      7.80405      7.12887        -0.015463     -0.121849      0.046390
     -0.44107      5.80787      8.93701        -0.053020     -0.042823     -0.059489
     -0.06460      7.12626      9.22562        -0.082600      0.233584     -0.045798
     20.92748      8.12803      8.28419        -0.140865     -0.213395     -0.170735
     -0.01412      9.57663      8.22918         0.648795      0.781029      0.801724
     19.94967      9.05973      6.37535         0.067689      0.165689      0.197578
     20.41613     11.54176      6.76799        -0.010347     -0.020994      0.156522
     19.50582     11.95553      5.78233         0.036772     -0.052678      0.072161
     19.21537     13.30837      5.60355         0.113525     -0.031402      0.065665
     21.06563     12.59381      7.45116        -0.008152     -0.114761     -0.088001
     20.81920     13.96327      7.21438        -0.097433      0.057328     -0.166462
     19.81939     14.40495      6.26482        -0.148618      0.194339     -0.197252
     19.31688     15.83756      5.96759         0.052880      0.018696      0.109898
     18.50411     16.29887      4.86113         0.092388      0.022690      0.114969
     17.97837     17.61404      4.82560         0.105846     -0.086815      0.055844
     19.55479     16.88162      6.90300        -0.027506     -0.105367     -0.032044
     18.94604     18.13949      6.92677         0.134032     -0.162615     -0.052253
     18.08999     18.53338      5.88984        -0.034115      0.079643     -0.033834
     17.96390     15.43509      3.72075         0.090779     -0.024314     -0.080146
      0.53715     14.86019      7.95921         0.212514      0.151251     -0.078638
     12.71222      5.21798      4.07265        -0.023807     -0.028130     -0.098561
     13.19249      3.77903     20.53668        -0.018279      0.018455      0.049272
     12.91431      6.15473     21.08555         0.109656     -0.146699      0.098717
     12.84162      7.40435      4.42722         0.019474      0.017921     -0.083557
     13.17045      7.89290      0.12105         0.050608      0.050295     -0.003831
     13.53840     10.28928      0.38496         0.051157      0.029561     -0.023281
     13.26770     13.44267      8.65687         0.019824     -0.028483      0.003386
     13.28933     11.56882      7.21125        -0.189810     -0.032691      0.038808
     14.38958     14.10720      3.94965        -0.140276     -0.045357      0.013709
     12.92818     17.14905     11.46819        -0.022694     -0.004141     -0.044047
     15.08989     17.45385      7.10424        -0.138214     -0.126632      0.283539
     14.95683     19.40628      8.46970         0.096865     -0.282035      0.034032
      9.84230      6.88379      3.18135        -0.085520     -0.155049      0.033828
      9.84354      3.52949      6.90468         0.108281      0.060322     -0.106617
      9.90684      5.90354      7.42666         0.200581      0.035207     -0.035746
     10.06652      8.87984      3.71595         0.012583      0.074397      0.005568
      9.84151      7.69786      7.89873         0.075732      0.079744     -0.124212
      9.93053     10.04511      8.58982         0.110702     -0.027710      0.032762
     12.12859     15.83665      2.40996        -0.018995      0.015092     -0.020547
     11.36568     13.66925      2.91394         0.139445      0.067008      0.059184
     10.25462     14.99617      6.81869         0.067884     -0.043100      0.231713
     13.35144     20.28149      1.20876        -0.047248      0.025724     -0.169076
     11.58554     19.22344      5.58357         0.058495      0.059697     -0.014899
     12.05745      0.19065      5.10418        -0.115542      0.042511     -0.052735
     10.28053      9.12950     17.40206         0.008619      0.011736      0.055115
     10.45351      7.74673     12.58417        -0.035486     -0.021061      0.076132
     10.28622     10.11250     13.15341         0.083652     -0.166012      0.177144
     10.36008     11.38126     17.78499         0.109462      0.059172     -0.051331
     10.53544     11.91410     13.45589         0.026433      0.001773      0.152775
     10.77262     14.31842     13.73911         0.034599     -0.038591     -0.049879
      9.40170     17.73291      0.36791         0.091639     -0.021497     -0.169139
      9.83835     15.80033     20.37263        -0.185672     -0.049995     -0.023206
     11.61881     18.23620     17.32969        -0.027718     -0.175974     -0.052680
      8.86151      0.06903      3.28837         0.094592      0.108138     -0.061241
     11.13696      0.59509     20.27678        -0.138899      0.063601      0.007304
     10.50324      2.54449      0.20852         0.159088      0.082431     -0.001720
      7.02896     10.69028     15.87238         0.037737     -0.179181      0.021938
      7.32457      7.31998     19.58826         0.117708      0.077306     -0.146190
      7.36751      9.70803     20.09554         0.173222     -0.031738     -0.099287
      7.31861     12.78249     16.44730        -0.099875      0.046362      0.020719
      7.19436     11.44502     20.59777         0.097438      0.085981     -0.154601
      7.29473     13.74713      0.10565         0.001311     -0.037066     -0.022910
      9.26871     19.89659     15.80434         0.141122     -0.000302     -0.087044
      8.62281     17.67928     16.13488         0.072458      0.025677      0.067464
      6.57382     18.85433     19.70797         0.052801      0.027782      0.027866
     10.24006      2.90692     14.40237         0.099693      0.072886      0.159292
      8.18301      1.99566     18.72957         0.068139      0.052761      0.136482
      9.09841      4.14643     18.34284        -0.189507      0.032819     -0.086354
      6.79395     12.98468      8.81651        -0.005700     -0.074270      0.063348
      7.39055     11.45278      4.08162        -0.112849     -0.017420      0.001859
      7.56657     13.81877      4.62795        -0.197994     -0.104910      0.090612
      6.93744     15.17933      9.17245         0.039082      0.025847      0.053819
      7.71751     15.57334      4.92039        -0.239895      0.096656      0.069232
      7.75799     17.98820      5.11168        -0.033214      0.095067     -0.026079
      6.65616      0.32912     13.02498        -0.032730     -0.015623     -0.085529
      6.83217     19.64940     11.78099         0.047521      0.019886     -0.157307
      8.54740      0.67058      8.57377         0.012024     -0.057079     -0.091695
      6.23238      3.87355     15.87572        -0.030763      0.114406      0.210143
      8.51498      4.41860     11.61662        -0.144825      0.013786     -0.121654
      8.05630      6.35816     12.91088         0.032685     -0.184261      0.042263
      3.66524     14.37326      8.91904         0.189284      0.023955     -0.108723
      4.68147     11.36316     12.76715         0.163161      0.012315     -0.107766
      4.72512     13.78052     13.09070         0.074249      0.015474     -0.123139
      3.78925     16.46501      9.18489        -0.038986     -0.044036     -0.043424
      5.04073     15.64058     13.27859        -0.011695      0.050381     -0.119378
      5.12631     18.03164     13.75123         0.005013      0.002988      0.010588
      5.55650      2.35960      7.49301         0.064861      0.022644      0.188005
      4.77233      0.24791      7.98538         0.124358      0.092331      0.030936
      3.75954      1.59891     11.89475         0.062589     -0.143239      0.236322
      7.21168      6.45028      6.11233        -0.113149      0.180340     -0.127459
      5.60726      5.87256     10.65501         0.133320     -0.045815      0.061540
      6.11028      8.03201      9.94483         0.009168     -0.003385      0.083017
      2.04383     16.36401      3.31491         0.046511      0.020117      0.154745
      0.12664     14.78669     20.20397        -0.041985     -0.088370      0.229317
      0.28975     17.14102     20.66857        -0.005387     -0.166942      0.136084
      1.71751     18.73192      3.70187        -0.007001      0.016391     -0.098305
      0.21865     18.81406     20.86346        -0.031410     -0.003948     -0.002635
     -0.08550     -0.05451     20.96931         0.007124     -0.062308      0.133321
      2.53206      4.00855      6.96173         0.096547      0.059994      0.006820
      2.30318      2.06470      5.82160         0.044870      0.118827     -0.096919
      0.34198      4.21653      2.66973         0.086619     -0.096201      0.201807
      3.26869      7.65640      9.57908         0.103473      0.065638      0.027350
      1.66241      8.26440      5.01674        -0.015490      0.044741     -0.179834
      2.42882     10.16463      6.24588         0.064198      0.002606     -0.156630
      3.62566     17.06486     20.59981        -0.038186     -0.080251     -0.012057
      5.84834     13.87793      2.50694        -0.121196      0.015745     -0.084473
      5.87260     16.25913      2.97423        -0.208419     -0.210635     -0.227343
      3.56149     19.36930      0.15696         0.049771      0.031683     -0.047180
      5.93596     17.88039      3.47895        -0.139408      0.156535      0.012175
      6.24501     20.11793      4.32189        -0.096339      0.098442      0.120087
      2.07109      5.62510      0.34897         0.210976      0.003268     -0.172961
      2.53030      3.34869      0.38902         0.019621     -0.022142     -0.086368
      5.21086      3.95360      3.68126        -0.044187      0.031088     -0.040681
      0.87374     10.21488      0.39856        -0.113629      0.025004      0.121815
      4.70936      8.80659      2.99073        -0.177757     -0.004557     -0.196092
      3.89398     10.98243      3.32033        -0.017482     -0.158437     -0.253126
     20.18012     19.50248     15.27072        -0.148683     -0.084961      0.070744
     16.56597     17.88590     12.18102         0.064310      0.046793      0.034119
     17.07087     20.28543     12.32790         0.062544     -0.072496      0.097406
     20.47958      0.33608     15.42286        -0.111961      0.007243      0.159296
     17.02929      0.87005     12.81706         0.054793     -0.023938      0.053260
     17.05612      3.28189     13.24805        -0.093211      0.055315     -0.072889
      2.30606      6.64451     17.92106         0.337791      0.034283      0.008596
      1.24225      4.71150     17.15857        -0.053155      0.054113     -0.019650
     18.93393      6.96979     16.59084        -0.237229      0.013570     -0.179499
      4.62309     10.12467     19.87133        -0.113357      0.271344      0.085432
      0.07015     10.73608     18.23567         0.061062      0.034057      0.050525
      1.19522     12.59028     19.16487        -0.112255      0.120394     -0.099862
      0.71302     21.20571     13.03209         0.049285     -0.134689      0.024954
      3.47476     17.91573     15.62606        -0.160902      0.225435      0.058210
      3.67284     20.33027     16.10429        -0.108763      0.074167     -0.004417
      1.05323      1.97306     13.35028         0.028867      0.069974      0.117638
      3.48141      0.93486     16.83173        -0.127526      0.006880     -0.148105
      4.11029      3.26322     17.10612        -0.063491      0.025405      0.133028
     19.99254      8.88860     13.79091        -0.004989      0.068680      0.015068
     21.00026      6.77946     13.50017        -0.322779      0.037761      0.103995
      3.38951      8.27983     15.08459         0.039264     -0.111139      0.176857
     17.94195     13.13120     13.90131        -0.009808     -0.041953     -0.064167
      1.33648     12.49977     15.17960        -0.063890      0.067742      0.147054
      0.38158     14.63252     15.43620         0.112314      0.118750     -0.052679
     17.54996      2.49825      7.56970        -0.074714     -0.080948      0.048033
     14.83742      1.00154      3.63638         0.168729     -0.002381     -0.013697
     14.91950      3.37863      4.23316         0.110325     -0.089567      0.026987
     17.67672      4.70978      7.82542        -0.152720      0.044462      0.221230
     14.82592      5.11122      4.58572         0.114143      0.055063      0.043696
     14.85340      7.52822      4.82332         0.129589      0.036002     -0.058257
     20.21980     10.95684     10.82617        -0.053161     -0.075145      0.049330
     19.20943      9.04773      9.92828        -0.068274     -0.016048     -0.011436
     16.45625     11.57463      7.82854        -0.023114     -0.002644     -0.017017
      1.41278     14.43463     12.44243        -0.256187      0.210297      0.025820
     18.23498     15.07354     10.54950         0.062276      0.087885      0.000720
     19.47653     17.00395     11.24420        -0.202714      0.130467      0.079097
     19.38884      4.48041      5.19311        -0.096017      0.034959      0.093724
      0.10829      0.80528      7.96863        -0.124845      0.174283      0.000585
     -0.05624      3.08007      8.90196         0.001716      0.091209      0.064339
     19.45251      6.26580      5.86549        -0.191773     -0.023393     -0.168216
     -0.28493      5.06062      9.71853         0.036955      0.048906     -0.139479
      0.46750      7.35187     10.15225        -0.186951      0.024230      0.071032
     18.41458     13.47404      4.90652        -0.037999      0.075538     -0.058894
     18.99540     11.22109      5.16227        -0.070868      0.117045      0.097790
      0.56314     12.34558      8.18110        -0.002517     -0.109307      0.018208
     17.35452     17.86796      3.97799        -0.026289      0.097865     -0.033639
     20.24025     16.71004      7.71889        -0.178433     -0.043461      0.055981
     19.16690     18.80588      7.75655        -0.011016     -0.005680     -0.007784
     13.86348     19.28391     10.75247         0.081588     -0.055044     -0.081053
     19.19462     21.08235      3.48811        -0.070637     -0.233510     -0.243418
     12.82915      1.21865      2.63260         0.015693     -0.165615      0.282647
     13.64592     11.54596      4.48769         0.003670     -0.130413      0.348726
      9.52618      2.61648      2.79953         0.097907     -0.015185     -0.023492
     10.48178     12.75683      5.34639        -0.113102      0.027492     -0.473778
     10.10269      5.12179     15.91874        -0.030276      0.045440      0.542940
     10.78447     15.64537     17.79025        -0.013302     -0.350627      0.340695
      7.04176      6.41486     15.46153        -0.170790     -0.200553      0.004509
      7.30260     16.63592     18.26923        -0.037186      0.235592     -0.445729
      6.76517      8.90566      7.43694        -0.044776     -0.093107      0.316502
      7.55172     19.42018      9.11058        -0.049102      0.022856      0.424813
      3.50258     10.16854      8.83836        -0.083895     -0.119746     -0.011152
      4.13736     20.53023     10.47767        -0.062890      0.234353     -0.477673
      1.74469     12.22105      1.90194         0.207360      0.381663     -0.016080
      1.19824      1.70538      3.34172         0.122319     -0.236132      0.208055
      3.67942     12.71978     20.29534        -0.068229      0.285946      0.031286
      4.33691      1.93247      2.02616        -0.319188     -0.000953     -0.300327
     19.13487     15.44225     14.56401         0.230857     -0.037281      0.172378
     20.01958      4.52712     16.02234         0.156912      0.071170      0.260371
      0.64205     16.97694     12.60606        -0.058465      0.060451     -0.028247
      2.08059      5.92551     14.44218        -0.482731      0.106628     -0.364751
     17.38807     19.80486      5.90297         0.133953     -0.067413      0.103639
     17.21098      8.95127      8.06191         0.210186     -0.127099      0.190923
     19.48247      0.47606      4.20253         0.257098      0.408767      0.457405
     20.61153     10.14041      7.08245        -0.423284     -0.077160     -0.440504
     12.42394      2.29865      4.69135        -0.067184      0.040734      0.223138
     13.65914      1.01294      0.41484        -0.197994      0.162970      0.331303
     13.22879      9.78363      6.03644         0.076440      0.154393     -0.312594
     13.91162     12.59353      2.36982        -0.050934     -0.654556      0.475821
      9.56627      4.44260      1.30928         0.011657      0.103983     -0.142223
      9.30830      1.46007      4.85955         0.220197      0.550120     -0.275369
     10.29299     11.76962      3.20231        -0.033276      0.072362     -0.534386
     10.14674     12.93735      7.68085         0.102343     -0.321553     -0.404583
     10.01676      6.16691     18.03813         0.132375      0.111365     -0.958330
     10.87067      4.89317     13.69307        -0.218043      0.246823      0.291912
     10.60472     13.90487     19.40264         0.047137      0.085521     -0.347980
     11.05977     16.64658     15.66897        -0.101973     -0.527976      0.268335
      6.90579      8.25987     14.00069         0.038159      0.085994     -0.238522
      6.59885      5.29529     17.50660         0.384648      0.429786     -0.236917
      7.37812     15.75727     16.06754        -0.084090      0.073960     -0.221197
      7.06221     16.66671     20.60580         0.078914     -0.122759     -0.161553
      6.77253     10.04517      9.51911         0.043178     -0.042154     -0.048665
      7.09560      8.68049      5.10749        -0.060213      0.116089      0.384637
      7.43228     17.69427     10.74376        -0.011975      0.282767     -0.535280
      7.72943     20.37988      6.95558        -0.169191     -0.264035      0.317777
      3.15578     11.94776      7.33874         0.139356     -0.114848      0.136665
      3.84745      9.09739     10.94581         0.062087      0.321771     -0.210007
      3.97683     19.39231      8.40745        -0.199675      0.160409     -1.958432
      4.30209     20.76966     12.79250         0.064027      0.355452      0.602405
      2.94559     13.33070      3.64167        -0.575509     -0.102756     -0.627190
      0.14538     12.07467      0.15138        -0.304539     -0.140485     -0.148916
      2.25316      0.18920      4.84681        -0.167063      0.099721     -0.334392
      0.07440      2.43257      1.39341         0.177126     -0.370987      0.179009
      2.99495     14.51328     18.89902         0.083798     -0.222945      0.325391
      5.00446     11.67490      0.69537        -0.093075     -0.015854     -0.154719
      3.18959      1.12582      0.10005         0.086063      0.092446      0.145808
      5.82289      1.80262      3.87145        -0.288999     -0.241268     -0.448721
     -0.57294     16.62976     15.90230         0.046689      0.006702      0.083389
     17.15420     15.11567     13.28827         0.424862      0.278571      0.232764
     -0.04971      2.75480     17.05795         0.234751      0.011541      0.179335
     18.33248      5.56682     14.73999         0.261901     -0.432198      0.123538
     21.09031     18.81462     11.37509         0.105621     -0.066971      0.469721
      2.11240     15.76930     14.01744        -0.172654      0.575684     -0.065088
      0.52269      4.85490     13.01683        -1.434242      0.113924     -1.293193
      4.05146      6.09435     15.69991        -0.645660     -0.407444     -0.002286
     18.18344     20.77438      7.92381        -0.031090     -0.015036     -0.110458
     15.93309     19.58077      4.04130         0.236678      0.096485      0.183310
     18.04978      7.21625      9.46367        -0.329492      0.227094     -0.333869
     16.12276      9.93319      6.21498         0.108047     -0.263420      0.206787
     18.49908      2.39914      3.31382         0.292993     -0.152011      0.299808
     20.65008     20.23617      5.54560        -0.007974      0.304963      0.129104
     19.26908      9.18237      5.37478        -0.210568      0.060277     -0.144938
      0.68963     10.20992      9.01865        -0.666776     -0.625367     -0.595365
     14.02178     17.47803      5.33702        -0.138283     -0.107618      0.081755
     15.94000     16.49840      5.67127        -0.183202     -0.116620     -0.054047
     14.81355     16.15486      3.81873        -0.111899      0.057503      0.327125
     11.92281     15.36952     11.49661        -0.089018     -0.052984      0.000888
     11.43228     14.57047      9.53482         0.025193     -0.105336      0.008542
     13.22543     13.86881     10.63336        -0.032267      0.048512     -0.085846
     11.95768     17.93873      7.24107        -0.096017      0.001966     -0.155239
     10.01539     18.53956      6.44948        -0.122759     -0.045385     -0.078974
     10.17167     16.82370      7.76071         0.051424     -0.098468      0.077974
     13.24179     18.54436      0.11132         0.129487      0.025476     -0.008118
     14.15067     17.12848      1.49414        -0.135859      0.013530      0.032582
     12.06330     16.89218      0.84698         0.128996      0.120313      0.101639
     10.94383      0.34045     18.33700        -0.049980     -0.165181      0.142961
     12.86407     -0.44757     19.02537        -0.051302     -0.105781      0.109603
     12.01741     20.19634     17.10066         0.069432     -0.007335      0.327191
      8.54566     19.34585      3.50933        -0.038363      0.038437      0.037392
      7.72928     18.80747      1.53863         0.137499     -0.157514     -0.030065
      9.59929     17.94200      2.28295         0.135789      0.068376     -0.086988
      7.64197      0.84011     20.38580         0.028866     -0.127950     -0.294584
      5.90077      1.01363     19.06089         0.059031      0.086876     -0.262895
      6.03162     20.66341     20.51361        -0.047714     -0.025930     -0.038340
     10.00883      1.25180     13.31745        -0.034854     -0.098841     -0.108530
     11.06954     -0.01003     14.72297         0.176410     -0.344052      0.136647
      9.04828     20.73657     14.06438        -0.049369     -0.301904     -0.098652
      8.50216      4.04019      9.61284        -0.006586     -0.172185      0.085513
     10.19335      3.03570     10.57706        -0.045319      0.002451      0.071064
      9.55153      2.46133      8.56744         0.206794     -0.059322      0.173456
      6.06220      1.88309     16.17387        -0.078692      0.200581      0.410406
      5.07112      1.30328     14.34288        -0.417274     -0.049939     -0.214603
      6.98746      0.48467     14.85160         0.045328      0.021665      0.011756
      5.00336      5.09330     12.14603        -0.047955      0.020358     -0.244918
      3.00884      4.29951     11.74701        -0.171844     -0.128392      0.065802
      4.40387      3.25203     13.02763        -0.112288     -0.056463     -0.062432
      7.19239      4.47678      5.29647         0.170884      0.073183     -0.044670
      7.40443      2.94098      6.81896         0.019980      0.064891      0.006430
      5.42266      3.47194      6.02132         0.072211      0.163832      0.086388
     -0.58031      7.24383      4.48345         0.124411     -0.068850     -0.012553
      1.02844      7.44445      3.09162         0.075018     -0.094687      0.046801
     -0.63133      6.04239      2.70112         0.016140      0.012739      0.170986
      3.23906      5.71167      9.86775         0.037556     -0.046884      0.004104
      1.82049      4.50374      8.79713         0.018836      0.181217      0.001783
      3.80380      4.76902      7.96411         0.221089     -0.082895      0.072412
      6.11485      6.97532      3.52540        -0.092271     -0.061264      0.095565
      4.17532      7.52333      4.45647         0.042166     -0.133039     -0.024923
      5.11515      5.71906      5.05032        -0.049599     -0.005459     -0.019940
      0.17084      8.64426     20.74773        -0.456938     -0.097795     -0.045918
      1.66164      7.15861     -1.02643         0.417118     -0.120990      0.378271
      0.38578      6.84408      0.66418        -0.412739     -0.127689      0.215749
     19.41812      9.38996     19.06251         0.029771      0.091059      0.002992
     19.75583     10.33716     17.10273         0.082013     -0.099987      0.064156
     18.27091      8.77260     17.30349         0.114087      0.088357      0.252841
      4.87391      8.13957     19.96754        -0.090591     -0.002785      0.023889
      3.81350      6.71536     18.80001        -0.156641      0.391154      0.141386
      4.75323      8.37242     17.75198        -0.180237     -0.190264      0.194973
      3.37035     11.44359     14.36148        -0.214812      0.086262      0.054510
      2.58144     11.60112     16.39120        -0.162757     -0.218669     -0.131115
      3.99905     10.05863     15.90993         0.058102     -0.054358     -0.088137
     17.31946     11.30048     13.16614         0.046914      0.022168      0.169224
     18.85313      9.89967     12.58044         0.024349      0.151019      0.243240
     18.02073      9.81859     14.61192         0.117940      0.102620      0.001277
     16.21995     14.18745      9.86582         0.141810     -0.041660     -0.158514
     17.77905     14.93981      8.51098         0.135527     -0.176421      0.001230
     16.23577     13.64837      7.73093         0.177231      0.014770      0.107057
      1.78132     12.53201     12.43236         0.067421     -0.061128      0.118413
      0.35223     11.04501     11.89126        -0.007954      0.065842      0.026379
      1.38438     12.17208     10.32799        -0.102914     -0.012129      0.084510
      1.25980     15.64983      7.09746        -0.135759      0.028127     -0.080655
      0.01782     15.71828      8.90730        -0.046980     -0.183086     -0.214776
      1.44749     14.13928      8.66492         0.101668      0.127049     -0.168431
     17.35251     16.16119      2.74875         0.168226      0.064603     -0.118442
     18.90435     14.67433      3.07200         0.166578      0.157103      0.114807
     16.99891     14.54542      4.16479         0.153844      0.055606     -0.158879
 -----------------------------------------------------------------------------------
    total drift:                               -0.004952     -0.009681      0.010094


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4569.3465459895 eV

  energy  without entropy=    -4569.4965449818  energy(sigma->0) =    -4569.39654565
 
 d Force = 0.5439141E-01[ 0.185E-02, 0.107E+00]  d Energy = 0.5434719E-01 0.442E-04
 d Force = 0.3147466E+03[ 0.315E+03, 0.315E+03]  d Ewald  = 0.3147465E+03 0.124E-03


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   56(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.3116605E+00  (-0.4990826E+02)
 number of electron    2498.0000028 magnetization 
 augmentation part      162.6532668 magnetization 

  free energy =  -0.456903489083E+04  energy without entropy=  -0.456918544653E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   56(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) :-0.1086542E+01  (-0.1314682E+01)
 number of electron    2498.0000028 magnetization 
 augmentation part      162.7190528 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8713
  0.8713

  free energy =  -0.457012143322E+04  energy without entropy=  -0.457027191954E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   56(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3704
 total energy-change (2. order) : 0.4266679E-01  (-0.2727020E-01)
 number of electron    2498.0000028 magnetization 
 augmentation part      162.6794967 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4223
  1.0988  1.7458

  free energy =  -0.457007876643E+04  energy without entropy=  -0.457022998554E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   56(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3608
 total energy-change (2. order) :-0.2631576E-02  (-0.2324924E-01)
 number of electron    2498.0000028 magnetization 
 augmentation part      162.6407286 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2807
  2.1953  0.8686  0.7783

  free energy =  -0.457008139801E+04  energy without entropy=  -0.457023216822E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   56(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3640
 total energy-change (2. order) :-0.1530114E-02  (-0.4766808E-02)
 number of electron    2498.0000028 magnetization 
 augmentation part      162.6472838 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3202
  2.3750  1.0029  1.0029  0.9001

  free energy =  -0.457008292812E+04  energy without entropy=  -0.457023424037E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   56(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) : 0.2485209E-02  (-0.2900978E-02)
 number of electron    2498.0000028 magnetization 
 augmentation part      162.6493592 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2709
  2.3807  1.0257  1.0257  0.9613  0.9613

  free energy =  -0.457008044291E+04  energy without entropy=  -0.457023141629E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   56(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3632
 total energy-change (2. order) :-0.1375379E-03  (-0.4821004E-03)
 number of electron    2498.0000028 magnetization 
 augmentation part      162.6534644 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2495
  2.4148  0.9564  0.9564  1.2251  1.2251  0.7193

  free energy =  -0.457008058045E+04  energy without entropy=  -0.457023210689E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   56(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) : 0.1230881E-03  (-0.6166652E-04)
 number of electron    2498.0000028 magnetization 
 augmentation part      162.6563045 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2241
  2.4693  1.0391  1.0391  1.4056  1.1579  0.8079  0.6501

  free energy =  -0.457008045736E+04  energy without entropy=  -0.457023158299E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   56(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) :-0.2587331E-05  (-0.4690584E-04)
 number of electron    2498.0000028 magnetization 
 augmentation part      162.6550744 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2174
  2.5051  1.4987  1.0122  1.0122  1.2165  0.9532  0.9532  0.5881

  free energy =  -0.457008045995E+04  energy without entropy=  -0.457023172424E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   56(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3496
 total energy-change (2. order) :-0.1777100E-04  (-0.6657201E-05)
 number of electron    2498.0000028 magnetization 
 augmentation part      162.6549854 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2222
  2.5842  1.8044  1.0432  1.0432  1.2208  0.9725  0.9725  0.7799  0.5789

  free energy =  -0.457008047772E+04  energy without entropy=  -0.457023172468E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   56(  11)  ---------------------------------------



 eigenvalue-minimisations  :  2360
 total energy-change (2. order) :-0.1426914E-04  (-0.1603710E-05)
 number of electron    2498.0000028 magnetization 
 augmentation part      162.6547294 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2375
  2.6298  1.9494  1.3783  1.0479  1.0479  0.9659  0.9659  0.9818  0.8218  0.5862

  free energy =  -0.457008049199E+04  energy without entropy=  -0.457023173635E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   56(  12)  ---------------------------------------



 eigenvalue-minimisations  :  2224
 total energy-change (2. order) :-0.1734871E-04  (-0.6886129E-06)
 number of electron    2498.0000028 magnetization 
 augmentation part      162.6547692 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2738
  2.6238  2.3629  1.0424  1.0424  1.3881  1.3881  0.9550  0.9550  0.9133  0.7497
  0.5916

  free energy =  -0.457008050934E+04  energy without entropy=  -0.457023176543E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   56(  13)  ---------------------------------------



 eigenvalue-minimisations  :  2200
 total energy-change (2. order) :-0.1866245E-04  (-0.2945836E-06)
 number of electron    2498.0000028 magnetization 
 augmentation part      162.6548623 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3244
  3.1382  2.5213  1.4934  1.4934  1.0541  1.0541  0.9553  0.9553  0.9515  0.9515
  0.7345  0.5904

  free energy =  -0.457008052800E+04  energy without entropy=  -0.457023178466E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   56(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2264
 total energy-change (2. order) :-0.1467607E-04  (-0.2598416E-06)
 number of electron    2498.0000028 magnetization 
 augmentation part      162.6548787 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3656
  3.5748  2.5630  1.5727  1.5727  1.0549  1.0549  1.1408  1.1408  0.9517  0.9517
  0.8683  0.5910  0.7147

  free energy =  -0.457008054268E+04  energy without entropy=  -0.457023179894E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   56(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2192
 total energy-change (2. order) :-0.8767151E-05  (-0.1683208E-06)
 number of electron    2498.0000028 magnetization 
 augmentation part      162.6548787 magnetization 

  free energy =  -0.457008055144E+04  energy without entropy=  -0.457023180966E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0592       2 -56.1433       3 -56.0670       4 -55.8419       5 -55.8322
       6 -56.3068       7 -58.1490       8 -58.2206       9 -56.2774      10 -55.9636
      11 -56.0232      12 -55.8004      13 -55.8176      14 -56.0111      15 -58.1125
      16 -58.0742      17 -56.3709      18 -54.9981      19 -54.9026      20 -55.1280
      21 -55.6672      22 -55.6482      23 -55.6855      24 -55.6129      25 -54.9657
      26 -54.7988      27 -54.9441      28 -54.9306      29 -60.3815      30 -60.3784
      31 -55.6785      32 -55.8421      33 -55.7458      34 -55.3415      35 -55.5075
      36 -55.9978      37 -57.8333      38 -58.0010      39 -56.0793      40 -55.7879
      41 -55.9031      42 -55.6975      43 -55.7320      44 -55.8990      45 -58.0730
      46 -58.1227      47 -56.4567      48 -55.1439      49 -54.9590      50 -55.2763
      51 -55.9073      52 -55.8743      53 -55.7791      54 -55.7444      55 -55.1011
      56 -54.8574      57 -55.0200      58 -56.3744      59 -60.3491      60 -60.6093
      61 -56.0031      62 -56.0542      63 -55.9489      64 -55.7998      65 -55.7729
      66 -56.2586      67 -58.0850      68 -58.1249      69 -56.2504      70 -55.9132
      71 -56.0142      72 -55.7308      73 -55.6891      74 -55.9443      75 -58.0666
      76 -58.1291      77 -56.4500      78 -55.1148      79 -54.9808      80 -55.2499
      81 -55.8748      82 -55.8808      83 -55.9011      84 -55.9186      85 -55.2230
      86 -55.0615      87 -55.2018      88 -56.4442      89 -60.6967      90 -60.4280
      91 -55.7251      92 -55.8477      93 -55.7496      94 -55.5054      95 -55.5553
      96 -56.0565      97 -57.8629      98 -57.9878      99 -56.1780     100 -55.9004
     101 -56.0327     102 -55.6897     103 -55.7446     104 -55.9650     105 -58.0928
     106 -58.1941     107 -56.4867     108 -55.1625     109 -54.9874     110 -55.4109
     111 -55.9894     112 -55.9082     113 -55.8093     114 -55.8111     115 -55.1062
     116 -54.9418     117 -55.0530     118 -56.3875     119 -60.4162     120 -60.6247
     121 -55.9204     122 -55.9735     123 -55.8409     124 -55.7437     125 -55.7392
     126 -56.1494     127 -58.0393     128 -58.1521     129 -56.0858     130 -55.7490
     131 -55.8471     132 -55.6316     133 -55.5706     134 -55.7884     135 -57.9006
     136 -57.9885     137 -56.4355     138 -55.0947     139 -54.9075     140 -55.2666
     141 -55.8726     142 -55.8539     143 -55.9487     144 -55.9047     145 -55.2041
     146 -55.1306     147 -55.2461     148 -56.4611     149 -60.5643     150 -60.6002
     151 -55.6219     152 -55.6447     153 -55.4903     154 -55.3437     155 -55.4226
     156 -55.8849     157 -57.9539     158 -57.8323     159 -55.9847     160 -55.7317
     161 -55.8923     162 -55.5141     163 -55.5788     164 -55.7991     165 -57.9577
     166 -58.0743     167 -56.4429     168 -55.0621     169 -54.8488     170 -55.2912
     171 -55.9272     172 -55.8916     173 -55.8528     174 -55.7833     175 -55.3376
     176 -54.8517     177 -55.0615     178 -56.4895     179 -60.4996     180 -60.6309
     181 -55.9211     182 -56.0836     183 -55.9395     184 -55.7063     185 -55.6838
     186 -56.2274     187 -58.0214     188 -58.1998     189 -56.2359     190 -55.8696
     191 -56.0029     192 -55.7256     193 -55.7159     194 -55.9443     195 -58.0819
     196 -58.1522     197 -56.5138     198 -55.0871     199 -54.9542     200 -55.2906
     201 -55.9079     202 -55.9435     203 -55.9274     204 -55.8740     205 -55.1639
     206 -55.2378     207 -55.2046     208 -56.4724     209 -60.7394     210 -60.5204
     211 -55.9281     212 -56.0495     213 -55.9294     214 -55.7278     215 -55.6689
     216 -56.2001     217 -58.0843     218 -58.1826     219 -56.0887     220 -55.7738
     221 -55.8602     222 -55.5462     223 -55.4711     224 -55.7794     225 -57.9532
     226 -58.0450     227 -56.5400     228 -55.1207     229 -55.0419     230 -55.2788
     231 -55.7843     232 -55.9189     233 -55.9269     234 -55.7074     235 -55.0021
     236 -55.0922     237 -55.2013     238 -56.4485     239 -60.3675     240 -60.3968
     241 -55.9612     242 -56.0000     243 -55.8783     244 -55.7536     245 -55.7518
     246 -56.1882     247 -58.0600     248 -58.1137     249 -56.1727     250 -55.8493
     251 -55.9571     252 -55.7169     253 -55.7069     254 -55.8896     255 -57.9508
     256 -58.0259     257 -56.3264     258 -55.0306     259 -54.8002     260 -55.1661
     261 -55.7680     262 -55.7767     263 -55.8931     264 -55.9547     265 -55.3713
     266 -54.9975     267 -55.1731     268 -56.4478     269 -60.6450     270 -60.3836
     271 -55.9227     272 -55.9903     273 -55.8397     274 -55.7345     275 -55.6839
     276 -56.1159     277 -58.1072     278 -58.1309     279 -55.9785     280 -55.6937
     281 -55.7892     282 -55.5456     283 -55.5132     284 -55.8062     285 -58.0406
     286 -57.9681     287 -56.4120     288 -55.0104     289 -54.9384     290 -55.2639
     291 -55.9105     292 -55.8714     293 -55.8655     294 -55.8518     295 -55.2036
     296 -54.9634     297 -55.0714     298 -56.4226     299 -60.4286     300 -60.5853
     301 -55.8579     302 -55.9962     303 -55.8973     304 -55.5948     305 -55.6225
     306 -56.1227     307 -58.0300     308 -58.1974     309 -56.1357     310 -55.8104
     311 -55.9438     312 -55.6670     313 -55.6382     314 -55.8732     315 -57.9859
     316 -58.0527     317 -56.4153     318 -55.0374     319 -54.8190     320 -55.2553
     321 -55.8146     322 -55.7543     323 -55.8752     324 -55.9013     325 -55.1998
     326 -55.0791     327 -55.2287     328 -56.4469     329 -60.6152     330 -60.4203
     331 -55.7720     332 -55.7871     333 -55.6896     334 -55.6104     335 -55.5769
     336 -56.0435     337 -57.9456     338 -57.9160     339 -55.9033     340 -55.5630
     341 -55.7174     342 -55.5241     343 -55.5111     344 -55.7339     345 -58.0018
     346 -57.9488     347 -56.4558     348 -55.0247     349 -54.9591     350 -55.2649
     351 -55.8527     352 -55.8399     353 -55.7991     354 -55.7767     355 -55.2375
     356 -54.9125     357 -55.0323     358 -56.4513     359 -60.4749     360 -60.5668
     361 -39.1286     362 -38.8050     363 -38.9897     364 -39.0728     365 -39.0283
     366 -38.7571     367 -38.1630     368 -38.0383     369 -38.0566     370 -38.0834
     371 -38.1162     372 -38.1479     373 -38.7567     374 -38.3191     375 -38.7115
     376 -38.8600     377 -38.8506     378 -38.7536     379 -38.1433     380 -38.1136
     381 -38.2809     382 -38.0844     383 -38.2348     384 -38.0097     385 -38.8915
     386 -38.7626     387 -38.8873     388 -38.8670     389 -38.8582     390 -38.5679
     391 -38.2287     392 -38.2233     393 -38.1805     394 -38.1456     395 -38.2487
     396 -38.2847     397 -38.7618     398 -38.4202     399 -38.7705     400 -38.9134
     401 -38.7866     402 -38.7800     403 -38.2715     404 -38.1914     405 -38.3909
     406 -38.0213     407 -38.1226     408 -38.0160     409 -38.7800     410 -38.7432
     411 -38.9752     412 -38.7414     413 -38.9236     414 -38.6388     415 -38.2636
     416 -38.2395     417 -38.1651     418 -38.2312     419 -38.3350     420 -38.3042
     421 -38.5704     422 -38.2979     423 -38.5592     424 -38.6975     425 -38.5844
     426 -38.6248     427 -38.2195     428 -38.0544     429 -38.3779     430 -38.2970
     431 -38.1528     432 -38.0355     433 -38.7992     434 -38.6727     435 -38.9495
     436 -38.7325     437 -38.9962     438 -38.6580     439 -38.4789     440 -38.0995
     441 -38.1122     442 -38.2027     443 -38.3274     444 -38.1141     445 -38.8428
     446 -38.7524     447 -38.8763     448 -38.7345     449 -38.7904     450 -38.3725
     451 -38.1362     452 -38.0293     453 -38.1484     454 -37.9866     455 -38.0657
     456 -38.0720     457 -38.9158     458 -38.6679     459 -38.8783     460 -38.9194
     461 -38.9066     462 -38.7028     463 -38.3025     464 -38.2031     465 -38.1376
     466 -38.3986     467 -38.1139     468 -38.2733     469 -38.8701     470 -38.7190
     471 -38.7625     472 -38.7923     473 -38.5821     474 -38.4562     475 -38.1705
     476 -38.0273     477 -38.2571     478 -38.1525     479 -38.1794     480 -37.9970
     481 -38.8689     482 -38.7439     483 -38.8863     484 -38.8708     485 -38.9514
     486 -38.7672     487 -38.2065     488 -38.1651     489 -38.1913     490 -38.2548
     491 -38.2208     492 -38.3321     493 -38.8425     494 -38.5473     495 -38.6617
     496 -38.7695     497 -38.5129     498 -38.4790     499 -38.2111     500 -37.9328
     501 -38.1930     502 -38.1482     503 -38.1473     504 -37.9738     505 -38.2175
     506 -41.1437     507 -71.6923     508 -71.5825     509 -71.3903     510 -71.6105
     511 -71.6657     512 -71.5379     513 -71.4063     514 -71.6280     515 -71.5635
     516 -71.4226     517 -71.4167     518 -71.4963     519 -71.5566     520 -71.6199
     521 -71.5840     522 -71.4508     523 -71.5325     524 -71.4475     525 -71.5795
     526 -71.4348     527 -71.6149     528 -71.4874     529 -71.2009     530 -71.4004
     531 -76.8700     532 -76.7781     533 -76.7496     534 -76.7538     535 -76.6373
     536 -76.5736     537 -76.7994     538 -76.6942     539 -76.6860     540 -76.6148
     541 -76.7963     542 -76.6888     543 -76.6162     544 -76.5411     545 -76.8465
     546 -76.6962     547 -76.8001     548 -76.7200     549 -76.6555     550 -76.5655
     551 -76.4921     552 -76.6474     553 -76.6793     554 -76.6424     555 -76.8108
     556 -76.7451     557 -76.8169     558 -76.7668     559 -76.7728     560 -76.7484
     561 -76.6769     562 -76.6273     563 -76.7823     564 -76.6806     565 -76.6622
     566 -76.5845     567 -76.7881     568 -76.7614     569 -76.5895     570 -76.7636
     571 -76.8452     572 -76.6819     573 -76.7276     574 -76.6541     575 -76.5647
     576 -76.5700     577 -76.6652     578 -76.7548     579 -82.3456     580 -82.3004
     581 -82.3006     582 -82.3126     583 -82.2864     584 -82.2542     585 -82.4288
     586 -82.5442     587 -82.5276     588 -82.2321     589 -82.1135     590 -82.2558
     591 -82.3718     592 -82.2036     593 -82.2623     594 -82.7386     595 -82.5384
     596 -82.6436     597 -82.4814     598 -82.4742     599 -82.5639     600 -82.2611
     601 -82.0634     602 -82.3991     603 -82.6053     604 -82.4246     605 -82.5748
     606 -82.5542     607 -82.4216     608 -82.4240     609 -82.7586     610 -82.3880
     611 -82.3782     612 -82.5223     613 -82.3780     614 -82.2401     615 -82.5621
     616 -82.4406     617 -82.3818     618 -82.7606     619 -82.6964     620 -82.7484
     621 -82.2081     622 -82.3784     623 -82.5026     624 -82.2958     625 -82.2726
     626 -82.3536     627 -82.2381     628 -82.3129     629 -82.2520     630 -82.5404
     631 -82.5103     632 -82.4239     633 -82.4781     634 -82.4786     635 -82.4530
     636 -82.3025     637 -82.2972     638 -82.2164     639 -82.1805     640 -82.3732
     641 -82.3718     642 -82.4849     643 -82.5606     644 -82.4620     645 -82.3980
     646 -82.4736     647 -82.5284     648 -82.3692     649 -82.3593     650 -82.3036
 
 
 
 E-fermi :  -1.4724     XC(G=0):  -6.4947     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
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      2     -29.0017      2.00000
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     22     -28.5631      2.00000
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     24     -28.5156      2.00000
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     29     -26.6413      2.00000
     30     -26.6403      2.00000
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   1095      -3.9953      2.00000
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   1099      -3.9253      2.00000
   1100      -3.9016      2.00000
   1101      -3.8731      2.00000
   1102      -3.8549      2.00000
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   1104      -3.8253      2.00000
   1105      -3.8043      2.00000
   1106      -3.7625      2.00000
   1107      -3.7457      2.00000
   1108      -3.7227      2.00000
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   1110      -3.6950      2.00000
   1111      -3.6848      2.00000
   1112      -3.6623      2.00000
   1113      -3.6047      2.00000
   1114      -3.5939      2.00000
   1115      -3.5688      2.00000
   1116      -3.5567      2.00000
   1117      -3.5202      2.00000
   1118      -3.4699      2.00000
   1119      -3.4033      2.00000
   1120      -3.3923      2.00000
   1121      -3.3536      2.00000
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   1123      -3.2991      2.00000
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   1125      -3.2497      2.00000
   1126      -3.2405      2.00000
   1127      -3.2137      2.00000
   1128      -3.2046      2.00000
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   1130      -3.1566      2.00000
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   1132      -3.1051      2.00000
   1133      -3.0977      2.00000
   1134      -3.0917      2.00000
   1135      -3.0792      2.00000
   1136      -3.0696      2.00000
   1137      -3.0527      2.00000
   1138      -3.0420      2.00000
   1139      -3.0398      2.00000
   1140      -3.0227      2.00000
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   1142      -3.0003      2.00000
   1143      -2.9976      2.00000
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   1163      -2.8698      2.00000
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   1166      -2.8382      2.00000
   1167      -2.8331      2.00000
   1168      -2.8200      2.00000
   1169      -2.8106      2.00000
   1170      -2.7806      2.00000
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   1173      -2.7305      2.00000
   1174      -2.7253      2.00000
   1175      -2.7025      2.00000
   1176      -2.6799      2.00000
   1177      -2.6745      2.00000
   1178      -2.6668      2.00000
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   1180      -2.6500      2.00000
   1181      -2.6201      2.00000
   1182      -2.6051      2.00000
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   1185      -2.5893      2.00000
   1186      -2.5773      2.00000
   1187      -2.5756      2.00000
   1188      -2.5619      2.00000
   1189      -2.5443      2.00000
   1190      -2.5333      2.00000
   1191      -2.5296      2.00000
   1192      -2.5158      2.00000
   1193      -2.5066      2.00000
   1194      -2.4894      2.00000
   1195      -2.4853      2.00000
   1196      -2.4793      2.00000
   1197      -2.4707      2.00000
   1198      -2.4598      2.00000
   1199      -2.4528      2.00000
   1200      -2.4517      2.00000
   1201      -2.4467      2.00000
   1202      -2.4347      2.00000
   1203      -2.4288      2.00000
   1204      -2.4223      2.00000
   1205      -2.4154      2.00000
   1206      -2.4136      2.00000
   1207      -2.4084      2.00000
   1208      -2.4049      2.00000
   1209      -2.4021      2.00000
   1210      -2.3915      2.00000
   1211      -2.3836      2.00000
   1212      -2.3779      2.00000
   1213      -2.3719      2.00000
   1214      -2.3658      2.00000
   1215      -2.3636      2.00000
   1216      -2.3547      2.00000
   1217      -2.3518      2.00000
   1218      -2.3457      2.00000
   1219      -2.3418      2.00000
   1220      -2.3346      2.00000
   1221      -2.3273      2.00000
   1222      -2.3152      2.00000
   1223      -2.3088      2.00000
   1224      -2.2999      2.00000
   1225      -2.2929      2.00000
   1226      -2.2905      2.00000
   1227      -2.2868      2.00000
   1228      -2.2807      2.00000
   1229      -2.2650      2.00000
   1230      -2.2550      2.00000
   1231      -2.2474      2.00000
   1232      -2.2419      2.00000
   1233      -2.2330      2.00000
   1234      -2.2154      2.00000
   1235      -2.2102      2.00000
   1236      -2.1968      2.00000
   1237      -2.1611      2.00001
   1238      -1.8083      2.03889
   1239      -1.7286      2.07000
   1240      -1.7240      2.07058
   1241      -1.7106      2.07055
   1242      -1.6860      2.06166
   1243      -1.6767      2.05447
   1244      -1.6493      2.01738
   1245      -1.6366      1.99050
   1246      -1.6252      1.96071
   1247      -1.6206      1.94692
   1248      -1.5997      1.87142
   1249      -1.5939      1.84689
   1250       0.1101     -0.00000
   1251       0.1811     -0.00000
   1252       0.2189     -0.00000
   1253       0.2232     -0.00000
   1254       0.2273     -0.00000
   1255       0.2503     -0.00000
   1256       0.2890     -0.00000
   1257       0.3161     -0.00000
   1258       0.3393     -0.00000
   1259       0.3611     -0.00000
   1260       0.3682     -0.00000
   1261       0.4815     -0.00000
   1262       0.6079     -0.00000
   1263       0.6654     -0.00000
   1264       0.6912     -0.00000
   1265       0.7171     -0.00000
   1266       0.7295     -0.00000
   1267       0.7495     -0.00000
   1268       0.7629     -0.00000
   1269       0.7805     -0.00000
   1270       0.8044     -0.00000
   1271       0.8213     -0.00000
   1272       0.8395     -0.00000
   1273       0.8449     -0.00000
   1274       0.8811     -0.00000
   1275       0.9065     -0.00000
   1276       0.9112     -0.00000
   1277       0.9352     -0.00000
   1278       0.9426     -0.00000
   1279       0.9838     -0.00000
   1280       0.9970     -0.00000
   1281       1.0322     -0.00000
   1282       1.0464     -0.00000
   1283       1.1010     -0.00000
   1284       1.1203     -0.00000
   1285       1.1681     -0.00000
   1286       1.2067     -0.00000
   1287       1.2382     -0.00000
   1288       1.3046     -0.00000
   1289       1.3349     -0.00000
   1290       1.3718     -0.00000
   1291       1.4341     -0.00000
   1292       1.5090     -0.00000
   1293       1.5185     -0.00000
   1294       1.5511     -0.00000
   1295       1.5707     -0.00000
   1296       1.6178     -0.00000
   1297       1.6489     -0.00000
   1298       1.8186     -0.00000
   1299       1.8375     -0.00000
   1300       1.8669     -0.00000
   1301       1.8787     -0.00000
   1302       1.8985     -0.00000
   1303       1.9288     -0.00000
   1304       1.9773     -0.00000
   1305       1.9932     -0.00000
   1306       2.0193     -0.00000
   1307       2.0564     -0.00000
   1308       2.0621     -0.00000
   1309       2.0860     -0.00000
   1310       2.0998     -0.00000
   1311       2.1173     -0.00000
   1312       2.1368     -0.00000
   1313       2.1420     -0.00000
   1314       2.1621     -0.00000
   1315       2.1756     -0.00000
   1316       2.1883     -0.00000
   1317       2.1942     -0.00000
   1318       2.2169     -0.00000
   1319       2.2238     -0.00000
   1320       2.2893     -0.00000
   1321       2.3171     -0.00000
   1322       2.3970     -0.00000
   1323       2.4288     -0.00000
   1324       2.4401     -0.00000
   1325       2.4736     -0.00000
   1326       2.5048     -0.00000
   1327       2.5110     -0.00000
   1328       2.5138     -0.00000
   1329       2.5263     -0.00000
   1330       2.5469     -0.00000
   1331       2.5588     -0.00000
   1332       2.5791     -0.00000
   1333       2.5946     -0.00000
   1334       2.6009     -0.00000
   1335       2.6152     -0.00000
   1336       2.6282     -0.00000
   1337       2.6503     -0.00000
   1338       2.6545     -0.00000
   1339       2.6657     -0.00000
   1340       2.6765     -0.00000
   1341       2.6886     -0.00000
   1342       2.7078     -0.00000
   1343       2.7402     -0.00000
   1344       2.7864     -0.00000
   1345       2.7982     -0.00000
   1346       2.9444     -0.00000
   1347       2.9919     -0.00000
   1348       2.9986     -0.00000
   1349       3.0174     -0.00000
   1350       3.0234     -0.00000
   1351       3.0552     -0.00000
   1352       3.0615     -0.00000
   1353       3.1020     -0.00000
   1354       3.1158     -0.00000
   1355       3.1320     -0.00000
   1356       3.1464     -0.00000
   1357       3.1653     -0.00000
   1358       3.1827     -0.00000
   1359       3.2229     -0.00000
   1360       3.2324     -0.00000
   1361       3.2794     -0.00000
   1362       3.3782     -0.00000
   1363       3.4607     -0.00000
   1364       3.5144     -0.00000
   1365       3.5861     -0.00000
   1366       3.6435     -0.00000
   1367       3.6607     -0.00000
   1368       3.7169     -0.00000
   1369       3.7537     -0.00000
   1370       3.7635     -0.00000
   1371       3.8112     -0.00000
   1372       3.8185     -0.00000
   1373       3.8474     -0.00000
   1374       3.8665      0.00000
   1375       3.8717      0.00000
   1376       3.8937      0.00000
   1377       3.9133      0.00000
   1378       3.9170      0.00000
   1379       3.9432      0.00000
   1380       3.9611      0.00000
   1381       3.9639      0.00000
   1382       3.9696      0.00000
   1383       3.9849      0.00000
   1384       4.0073      0.00000
   1385       4.0171      0.00000
   1386       4.0244      0.00000
   1387       4.0331      0.00000
   1388       4.0465      0.00000
   1389       4.0490      0.00000
   1390       4.0635      0.00000
   1391       4.1002      0.00000
   1392       4.1061      0.00000
   1393       4.1119      0.00000
   1394       4.1195      0.00000
   1395       4.1267      0.00000
   1396       4.1304      0.00000
   1397       4.1551      0.00000
   1398       4.1635      0.00000
   1399       4.1726      0.00000
   1400       4.1900      0.00000
   1401       4.2034      0.00000
   1402       4.2142      0.00000
   1403       4.2346      0.00000
   1404       4.2437      0.00000
   1405       4.2621      0.00000
   1406       4.2761      0.00000
   1407       4.2831      0.00000
   1408       4.3156      0.00000
   1409       4.3231      0.00000
   1410       4.3366      0.00000
   1411       4.3474      0.00000
   1412       4.3546      0.00000
   1413       4.3690      0.00000
   1414       4.3826      0.00000
   1415       4.3979      0.00000
   1416       4.4097      0.00000
   1417       4.4248      0.00000
   1418       4.4287      0.00000
   1419       4.4478      0.00000
   1420       4.4711      0.00000
   1421       4.4728      0.00000
   1422       4.4782      0.00000
   1423       4.5009      0.00000
   1424       4.5144      0.00000
   1425       4.5423      0.00000
   1426       4.5583      0.00000
   1427       4.5730      0.00000
   1428       4.5898      0.00000
   1429       4.5942      0.00000
   1430       4.6346      0.00000
   1431       4.6408      0.00000
   1432       4.6765      0.00000
   1433       4.6799      0.00000
   1434       4.7005      0.00000
   1435       4.7635      0.00000
   1436       4.7770      0.00000
   1437       4.8081      0.00000
   1438       4.8277      0.00000
   1439       4.8414      0.00000
   1440       4.8479      0.00000
   1441       4.8706      0.00000
   1442       4.8819      0.00000
   1443       4.9172      0.00000
   1444       4.9302      0.00000
   1445       4.9448      0.00000
   1446       4.9563      0.00000
   1447       4.9597      0.00000
   1448       4.9796      0.00000
   1449       4.9984      0.00000
   1450       5.0044      0.00000
   1451       5.0242      0.00000
   1452       5.0512      0.00000
   1453       5.0594      0.00000
   1454       5.0727      0.00000
   1455       5.0932      0.00000
   1456       5.1075      0.00000
   1457       5.1162      0.00000
   1458       5.1266      0.00000
   1459       5.1334      0.00000
   1460       5.1363      0.00000
   1461       5.1669      0.00000
   1462       5.1971      0.00000
   1463       5.2052      0.00000
   1464       5.2209      0.00000
   1465       5.2233      0.00000
   1466       5.2393      0.00000
   1467       5.2461      0.00000
   1468       5.2614      0.00000
   1469       5.2679      0.00000
   1470       5.2804      0.00000
   1471       5.2930      0.00000
   1472       5.3041      0.00000
   1473       5.3059      0.00000
   1474       5.3291      0.00000
   1475       5.3315      0.00000
   1476       5.3404      0.00000
   1477       5.3457      0.00000
   1478       5.3615      0.00000
   1479       5.3629      0.00000
   1480       5.3741      0.00000
   1481       5.3881      0.00000
   1482       5.3952      0.00000
   1483       5.4183      0.00000
   1484       5.4223      0.00000
   1485       5.4308      0.00000
   1486       5.4395      0.00000
   1487       5.4549      0.00000
   1488       5.4573      0.00000
   1489       5.4697      0.00000
   1490       5.4737      0.00000
   1491       5.4850      0.00000
   1492       5.4908      0.00000
   1493       5.4971      0.00000
   1494       5.4982      0.00000
   1495       5.5058      0.00000
   1496       5.5193      0.00000
   1497       5.5269      0.00000
   1498       5.5339      0.00000
   1499       5.5427      0.00000
   1500       5.5524      0.00000
   1501       5.5635      0.00000
   1502       5.5704      0.00000
   1503       5.5913      0.00000
   1504       5.5967      0.00000
   1505       5.6083      0.00000
   1506       5.6161      0.00000
   1507       5.6296      0.00000
   1508       5.6399      0.00000
   1509       5.6471      0.00000
   1510       5.6571      0.00000
   1511       5.6633      0.00000
   1512       5.6730      0.00000
   1513       5.6822      0.00000
   1514       5.6878      0.00000
   1515       5.7045      0.00000
   1516       5.7157      0.00000
   1517       5.7283      0.00000
   1518       5.7367      0.00000
   1519       5.7472      0.00000
   1520       5.7611      0.00000
   1521       5.7730      0.00000
   1522       5.7819      0.00000
   1523       5.7885      0.00000
   1524       5.7964      0.00000
   1525       5.8102      0.00000
   1526       5.8212      0.00000
   1527       5.8246      0.00000
   1528       5.8310      0.00000
   1529       5.8405      0.00000
   1530       5.8635      0.00000
   1531       5.8793      0.00000
   1532       5.8800      0.00000
   1533       5.8887      0.00000
   1534       5.9017      0.00000
   1535       5.9155      0.00000
   1536       5.9186      0.00000
   1537       5.9237      0.00000
   1538       5.9279      0.00000
   1539       5.9380      0.00000
   1540       5.9469      0.00000
   1541       5.9619      0.00000
   1542       5.9662      0.00000
   1543       5.9828      0.00000
   1544       5.9871      0.00000
   1545       6.0001      0.00000
   1546       6.0052      0.00000
   1547       6.0194      0.00000
   1548       6.0253      0.00000
   1549       6.0277      0.00000
   1550       6.0391      0.00000
   1551       6.0516      0.00000
   1552       6.0539      0.00000
   1553       6.0613      0.00000
   1554       6.0732      0.00000
   1555       6.0816      0.00000
   1556       6.0916      0.00000
   1557       6.1107      0.00000
   1558       6.1153      0.00000
   1559       6.1262      0.00000
   1560       6.1402      0.00000
   1561       6.1464      0.00000
   1562       6.1517      0.00000
   1563       6.1602      0.00000
   1564       6.1669      0.00000
   1565       6.1778      0.00000
   1566       6.1852      0.00000
   1567       6.1905      0.00000
   1568       6.2013      0.00000
   1569       6.2068      0.00000
   1570       6.2194      0.00000
   1571       6.2223      0.00000
   1572       6.2288      0.00000
   1573       6.2384      0.00000
   1574       6.2447      0.00000
   1575       6.2473      0.00000
   1576       6.2725      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.089  13.414  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.414  17.833  -0.001   0.002  -0.000   0.003  -0.006   0.000
 -0.001  -0.001  -4.234   0.003   0.001   8.282  -0.005  -0.001
  0.001   0.002   0.003  -4.234   0.001  -0.005   8.280  -0.001
 -0.000  -0.000   0.001   0.001  -4.227  -0.001  -0.001   8.272
  0.002   0.003   8.282  -0.005  -0.001 -18.328   0.007   0.002
 -0.004  -0.006  -0.005   8.280  -0.001   0.007 -18.323  -0.000
  0.000   0.000  -0.001  -0.001   8.272   0.002  -0.000 -18.317
 total augmentation occupancy for first ion, spin component:           1
  8.456  -3.808   0.150   0.142  -0.034   0.018   0.027  -0.006
 -3.808   1.788  -0.074  -0.098   0.019  -0.007  -0.016   0.003
  0.150  -0.074   1.785  -0.064  -0.042   0.169  -0.012  -0.008
  0.142  -0.098  -0.064   1.894  -0.083  -0.012   0.177  -0.011
 -0.034   0.019  -0.042  -0.083   1.225  -0.008  -0.011   0.081
  0.018  -0.007   0.169  -0.012  -0.008   0.018  -0.002  -0.001
  0.027  -0.016  -0.012   0.177  -0.011  -0.002   0.018  -0.001
 -0.006   0.003  -0.008  -0.011   0.081  -0.001  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -51198.73952 94870.84330 24685.13293-11130.04749  6684.05811 20565.43742
  Hartree  4432.57405121738.05424 62701.95780-11540.33601  4639.95408 14878.92176
  E(xc)  -10734.32433-10587.26917-10629.97459     2.84281     8.10073    32.52485
  Local   13331.54470************************ 22666.38811-11344.78364-34858.41788
  n-local -5844.89128 -5977.14542 -6031.98346     3.49632    17.20794   -63.22124
  augment  1495.07727  1534.96022  1487.03318     4.71613    12.27901    -3.29809
  Kinetic 45513.70084 43219.06986 43663.66162   -27.11617   -73.47057  -559.61379
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -97.1995563   -415.4269418   -153.6748255    -20.0563106    -56.6543432     -7.6669687
  in kB      -16.2088040    -69.2757678    -25.6265072     -3.3445503     -9.4475652     -1.2785284
  external PRESSURE =     -37.0370263 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.236E+03 -.115E+03 0.251E+03   0.236E+03 0.116E+03 -.252E+03   -.533E-01 -.633E+00 0.161E+01   0.481E-03 0.129E-04 -.139E-03
   -.193E+03 -.139E+03 0.611E+02   0.193E+03 0.141E+03 -.609E+02   0.434E+00 -.110E+01 -.391E+00   0.310E-03 -.917E-05 -.942E-04
   -.167E+03 -.126E+03 0.350E+01   0.166E+03 0.127E+03 -.191E+01   0.211E+00 -.114E+01 -.177E+01   0.274E-03 -.505E-04 -.640E-04
   -.221E+03 -.992E+02 0.341E+03   0.221E+03 0.991E+02 -.343E+03   -.264E+00 -.127E+00 0.257E+01   0.645E-03 -.177E-04 -.175E-03
   -.168E+03 -.148E+03 0.302E+03   0.167E+03 0.149E+03 -.303E+03   0.258E+00 -.884E+00 0.102E+01   0.558E-03 -.613E-04 -.174E-03
   -.153E+03 -.111E+03 0.167E+03   0.152E+03 0.111E+03 -.167E+03   0.387E-01 -.711E-01 -.181E-01   0.362E-03 -.755E-04 -.111E-03
   -.241E+03 -.130E+03 0.184E+03   0.241E+03 0.135E+03 -.186E+03   0.586E+00 -.459E+01 0.890E+00   0.465E-03 0.823E-04 -.137E-03
   -.184E+03 -.115E+03 0.326E+02   0.184E+03 0.119E+03 -.343E+02   -.510E+00 -.405E+01 0.198E+01   0.246E-03 0.399E-04 -.263E-04
   -.110E+03 0.518E+01 0.195E+03   0.110E+03 -.523E+01 -.195E+03   0.754E-01 -.483E-01 0.976E-01   0.317E-03 -.551E-04 -.119E-03
   -.852E+02 0.871E+02 0.623E+02   0.848E+02 -.885E+02 -.612E+02   0.429E+00 0.151E+01 -.129E+01   0.204E-03 -.355E-04 -.499E-04
   -.947E+02 0.106E+03 0.139E+03   0.944E+02 -.107E+03 -.139E+03   0.199E+00 0.928E+00 -.248E-01   0.197E-03 0.274E-05 -.116E-03
   -.109E+03 -.549E+00 0.332E+03   0.109E+03 0.203E+00 -.333E+03   -.411E-01 0.405E+00 0.125E+01   0.458E-03 0.223E-04 -.239E-03
   -.115E+03 -.416E+02 0.362E+03   0.115E+03 0.426E+02 -.364E+03   -.137E+00 -.760E+00 0.240E+01   0.469E-03 0.161E-03 -.337E-03
   -.119E+03 0.229E+02 0.307E+03   0.119E+03 -.230E+02 -.309E+03   -.846E-01 0.583E-01 0.171E+01   0.311E-03 0.655E-04 -.238E-03
   -.114E+03 0.112E+03 0.271E+03   0.113E+03 -.116E+03 -.273E+03   0.444E+00 0.408E+01 0.222E+01   0.292E-03 0.291E-04 -.272E-03
   -.922E+02 0.117E+03 0.107E+03   0.921E+02 -.120E+03 -.111E+03   -.351E-02 0.293E+01 0.337E+01   0.143E-03 0.807E-05 -.826E-04
   -.757E+02 0.113E+03 0.564E+02   0.761E+02 -.109E+03 -.522E+02   -.267E+00 -.469E+01 -.415E+01   0.923E-04 0.973E-05 -.523E-04
   -.102E+02 0.206E+03 -.151E+03   0.968E+01 -.207E+03 0.153E+03   0.590E+00 0.178E+01 -.204E+01   0.966E-04 -.923E-05 -.194E-04
   0.269E+02 0.152E+03 -.200E+03   -.270E+02 -.152E+03 0.202E+03   0.308E+00 0.126E+00 -.198E+01   0.973E-04 -.521E-05 -.488E-04
   -.729E+02 0.114E+03 0.182E+03   0.740E+02 -.113E+03 -.185E+03   -.111E+01 -.821E+00 0.308E+01   0.926E-04 0.242E-05 -.973E-04
   -.420E+01 0.710E+02 0.264E+00   0.305E+01 -.726E+02 0.849E+00   0.120E+01 0.151E+01 -.135E+01   0.444E-04 -.874E-05 -.325E-04
   0.394E+00 0.138E+02 -.133E+03   -.369E+00 -.140E+02 0.134E+03   -.679E-01 0.232E+00 -.786E+00   0.593E-04 -.188E-05 -.654E-04
   -.398E+02 -.332E+02 -.178E+03   0.401E+02 0.336E+02 0.177E+03   -.307E+00 -.316E+00 0.792E+00   0.891E-04 -.775E-05 -.104E-03
   -.489E+02 -.694E+02 -.233E+03   0.502E+02 0.711E+02 0.231E+03   -.130E+01 -.152E+01 0.122E+01   0.152E-03 -.620E-04 -.148E-03
   -.274E+02 -.157E+03 -.342E+03   0.269E+02 0.158E+03 0.344E+03   0.505E+00 -.466E+00 -.180E+01   0.258E-03 -.121E-03 -.218E-03
   -.109E+03 -.165E+03 -.161E+03   0.110E+03 0.166E+03 0.159E+03   -.908E+00 -.298E+00 0.192E+01   0.106E-03 0.244E-04 -.856E-04
   -.950E+02 -.281E+03 -.194E+03   0.954E+02 0.282E+03 0.194E+03   -.389E+00 -.848E+00 0.268E+00   0.192E-03 0.186E-04 -.144E-03
   -.450E+02 -.264E+03 -.296E+03   0.449E+02 0.265E+03 0.296E+03   0.161E+00 -.122E+01 -.544E+00   0.289E-03 -.889E-04 -.246E-03
   -.512E+02 -.193E+02 -.223E+03   0.573E+02 0.270E+02 0.218E+03   -.603E+01 -.769E+01 0.501E+01   0.178E-03 -.146E-03 -.899E-04
   -.330E+01 0.529E+02 0.260E+02   -.167E+01 -.616E+02 -.212E+02   0.507E+01 0.860E+01 -.474E+01   0.991E-04 0.101E-04 -.710E-04
   -.213E+03 -.279E+02 -.438E+02   0.214E+03 0.281E+02 0.455E+02   -.337E+00 -.154E+00 -.166E+01   0.108E-03 0.780E-04 -.222E-04
   -.146E+03 -.150E+03 0.135E+03   0.146E+03 0.151E+03 -.135E+03   -.462E-01 -.122E+01 -.190E+00   0.395E-04 -.825E-05 -.308E-04
   -.155E+03 -.155E+03 0.185E+03   0.155E+03 0.157E+03 -.186E+03   0.223E+00 -.164E+01 0.115E+01   0.436E-04 -.409E-04 0.155E-04
   -.310E+03 0.754E+01 -.164E+03   0.310E+03 -.928E+01 0.167E+03   0.158E+00 0.174E+01 -.288E+01   0.137E-03 0.351E-04 0.184E-04
   -.298E+03 -.677E+02 -.186E+03   0.298E+03 0.678E+02 0.187E+03   0.372E-01 -.165E+00 -.127E+01   0.115E-03 0.163E-05 0.346E-04
   -.221E+03 -.713E+02 0.120E+01   0.220E+03 0.712E+02 -.123E+01   0.285E+00 0.871E-01 0.352E-01   0.656E-04 -.136E-04 0.210E-04
   -.123E+03 -.584E+02 -.640E+01   0.124E+03 0.629E+02 0.856E+01   -.945E+00 -.408E+01 -.261E+01   0.109E-03 0.154E-03 -.112E-03
   -.753E+02 -.145E+03 0.114E+03   0.757E+02 0.148E+03 -.111E+03   -.313E+00 -.323E+01 -.364E+01   -.552E-05 0.114E-04 -.669E-04
   -.195E+03 0.471E+02 -.605E+01   0.195E+03 -.473E+02 0.598E+01   0.125E+00 0.184E+00 0.583E-01   0.454E-04 -.921E-05 0.194E-04
   -.110E+03 0.557E+02 0.201E+03   0.110E+03 -.567E+02 -.203E+03   0.446E+00 0.106E+01 0.191E+01   0.416E-04 0.138E-04 0.400E-04
   -.829E+02 0.807E+02 0.109E+03   0.830E+02 -.821E+02 -.110E+03   -.208E+00 0.137E+01 0.253E+00   0.129E-04 0.704E-04 -.720E-05
   -.230E+03 0.891E+02 -.226E+03   0.230E+03 -.901E+02 0.227E+03   -.160E+00 0.989E+00 -.881E+00   0.653E-04 -.198E-04 0.161E-04
   -.188E+03 0.435E+02 -.301E+03   0.188E+03 -.437E+02 0.304E+03   0.251E+00 0.285E+00 -.226E+01   0.529E-04 -.157E-04 -.146E-04
   -.120E+03 0.606E+02 -.159E+03   0.120E+03 -.616E+02 0.160E+03   -.287E+00 0.948E+00 -.152E+01   0.858E-05 0.552E-04 -.318E-04
   -.647E+02 0.104E+03 -.995E+02   0.646E+02 -.108E+03 0.101E+03   0.171E+00 0.487E+01 -.571E+00   -.792E-05 0.791E-04 -.108E-03
   -.263E+02 0.850E+02 0.133E+03   0.259E+02 -.894E+02 -.131E+03   0.524E+00 0.434E+01 -.203E+01   0.164E-04 0.122E-03 -.131E-04
   0.230E+02 0.528E+02 0.996E+02   -.215E+02 -.472E+02 -.102E+03   -.142E+01 -.570E+01 0.199E+01   -.156E-04 0.584E-04 -.191E-04
   -.133E+02 0.133E+03 0.274E+03   0.143E+02 -.134E+03 -.276E+03   -.101E+01 0.131E+01 0.252E+01   0.552E-04 0.529E-04 -.684E-05
   -.416E+02 0.125E+03 0.237E+03   0.425E+02 -.125E+03 -.239E+03   -.977E+00 -.419E+00 0.205E+01   0.906E-04 0.478E-05 -.458E-04
   0.424E+02 0.750E+02 -.488E+02   -.434E+02 -.751E+02 0.518E+02   0.825E+00 0.137E+00 -.314E+01   -.299E-04 0.383E-04 -.600E-04
   0.580E+01 0.275E+02 0.337E+02   -.550E+01 -.285E+02 -.360E+02   -.297E+00 0.970E+00 0.221E+01   -.102E-04 -.197E-04 -.334E-04
   -.197E+02 0.145E+02 0.915E+02   0.203E+02 -.141E+02 -.924E+02   -.543E+00 -.183E+00 0.873E+00   0.360E-04 -.223E-04 -.193E-04
   -.790E+02 0.529E+01 0.418E+02   0.788E+02 -.544E+01 -.411E+02   0.150E+00 0.384E-01 -.535E+00   0.112E-03 -.391E-04 -.469E-04
   -.158E+03 -.133E+02 0.932E+02   0.157E+03 0.142E+02 -.914E+02   0.907E+00 -.808E+00 -.168E+01   0.204E-03 -.554E-04 -.853E-04
   -.250E+03 -.715E+02 0.165E+03   0.252E+03 0.716E+02 -.168E+03   -.144E+01 -.423E-01 0.299E+01   0.262E-03 -.148E-04 -.932E-04
   -.855E+02 -.111E+03 -.116E+03   0.852E+02 0.110E+03 0.118E+03   0.370E+00 0.569E+00 -.189E+01   0.147E-03 -.439E-04 -.471E-04
   -.115E+03 -.121E+03 -.163E+03   0.114E+03 0.122E+03 0.165E+03   0.681E+00 -.124E+01 -.282E+01   0.210E-03 -.210E-04 -.422E-04
   -.181E+03 -.542E+02 0.280E+02   0.180E+03 0.482E+02 -.259E+02   0.129E+01 0.611E+01 -.202E+01   0.232E-03 0.472E-06 -.536E-04
   -.197E+03 0.195E+02 0.141E+03   0.194E+03 -.139E+02 -.133E+03   0.308E+01 -.598E+01 -.855E+01   0.449E-03 -.186E-03 -.221E-03
   -.494E+02 0.200E+01 -.432E+02   0.511E+02 -.837E+01 0.345E+02   -.168E+01 0.653E+01 0.887E+01   0.297E-04 -.646E-04 -.877E-04
   -.360E+03 -.814E+02 0.867E+02   0.360E+03 0.824E+02 -.880E+02   0.742E-01 -.578E+00 0.152E+01   0.480E-03 0.491E-05 -.676E-04
   -.361E+03 -.108E+03 -.859E+02   0.361E+03 0.110E+03 0.862E+02   0.298E+00 -.124E+01 -.585E+00   0.441E-03 0.239E-04 -.779E-04
   -.335E+03 -.945E+02 -.134E+03   0.335E+03 0.956E+02 0.136E+03   -.559E-01 -.113E+01 -.177E+01   0.466E-03 0.616E-04 -.606E-04
   -.304E+03 -.655E+02 0.169E+03   0.304E+03 0.655E+02 -.171E+03   -.101E+00 -.336E+00 0.229E+01   0.514E-03 -.137E-04 -.649E-04
   -.250E+03 -.114E+03 0.128E+03   0.250E+03 0.115E+03 -.129E+03   0.180E+00 -.896E+00 0.948E+00   0.470E-03 -.231E-04 -.141E-04
   -.277E+03 -.821E+02 -.300E+01   0.277E+03 0.823E+02 0.307E+01   -.591E-01 -.225E-01 -.106E+00   0.464E-03 0.477E-04 0.729E-05
   -.377E+03 -.103E+03 0.209E+02   0.377E+03 0.107E+03 -.231E+02   0.427E+00 -.458E+01 0.839E+00   0.411E-03 0.757E-04 -.109E-03
   -.367E+03 -.991E+02 -.616E+02   0.368E+03 0.103E+03 0.609E+02   -.514E+00 -.416E+01 0.206E+01   0.332E-03 0.246E-04 -.967E-04
   -.230E+03 0.431E+02 0.198E+02   0.230E+03 -.433E+02 -.197E+02   0.175E-01 -.311E-01 0.583E-02   0.424E-03 0.386E-04 0.631E-04
   -.255E+03 0.117E+03 -.764E+02   0.255E+03 -.118E+03 0.776E+02   0.134E+00 0.159E+01 -.130E+01   0.459E-03 0.690E-04 0.332E-04
   -.252E+03 0.130E+03 -.107E+01   0.252E+03 -.131E+03 0.882E+00   0.142E+00 0.128E+01 0.127E+00   0.444E-03 -.211E-04 0.849E-04
   -.174E+03 0.419E+02 0.127E+03   0.175E+03 -.424E+02 -.128E+03   -.317E-01 0.395E+00 0.123E+01   0.358E-03 -.498E-04 0.125E-03
   -.169E+03 -.122E+02 0.136E+03   0.169E+03 0.132E+02 -.138E+03   -.207E+00 -.871E+00 0.263E+01   0.288E-03 -.145E-03 0.190E-03
   -.223E+03 0.331E+02 0.120E+03   0.223E+03 -.334E+02 -.121E+03   0.765E-01 0.192E+00 0.168E+01   0.330E-03 -.132E-03 0.194E-03
   -.242E+03 0.988E+02 0.112E+03   0.241E+03 -.103E+03 -.114E+03   0.375E+00 0.413E+01 0.228E+01   0.276E-03 -.200E-03 0.272E-03
   -.275E+03 0.142E+03 0.705E+02   0.275E+03 -.145E+03 -.741E+02   -.269E-01 0.317E+01 0.352E+01   0.486E-03 -.130E-04 0.402E-04
   -.265E+03 0.109E+03 0.981E+02   0.265E+03 -.105E+03 -.942E+02   0.366E+00 -.469E+01 -.399E+01   0.264E-03 -.121E-03 0.107E-03
   -.148E+03 0.200E+03 0.237E+02   0.147E+03 -.202E+03 -.220E+02   0.118E+01 0.160E+01 -.161E+01   0.170E-03 -.203E-04 -.762E-05
   -.784E+02 0.120E+03 0.504E+02   0.776E+02 -.120E+03 -.487E+02   0.886E+00 0.155E+00 -.188E+01   0.701E-04 -.206E-04 -.266E-04
   -.310E+03 0.934E+02 0.187E+03   0.312E+03 -.927E+02 -.189E+03   -.150E+01 -.696E+00 0.256E+01   0.225E-03 -.170E-03 0.200E-03
   -.222E+03 0.455E+02 0.103E+03   0.221E+03 -.469E+02 -.102E+03   0.127E+01 0.138E+01 -.119E+01   0.166E-03 -.137E-03 0.142E-03
   -.148E+03 -.478E+01 0.923E+02   0.148E+03 0.454E+01 -.916E+02   0.386E-01 0.195E+00 -.715E+00   0.709E-04 -.900E-04 0.226E-04
   -.132E+03 -.387E+01 0.125E+03   0.132E+03 0.389E+01 -.126E+03   -.338E+00 -.103E+00 0.827E+00   0.311E-04 -.715E-04 -.108E-04
   -.869E+02 -.375E+02 0.802E+02   0.883E+02 0.393E+02 -.815E+02   -.137E+01 -.180E+01 0.129E+01   0.891E-05 -.384E-04 -.714E-04
   -.122E+02 -.591E+02 -.192E+02   0.106E+02 0.584E+02 0.222E+02   0.154E+01 0.606E+00 -.311E+01   0.284E-04 -.294E-04 -.120E-03
   -.196E+03 -.127E+03 0.175E+03   0.197E+03 0.128E+03 -.176E+03   -.892E+00 -.716E-01 0.171E+01   0.856E-04 -.564E-04 0.599E-04
   -.136E+03 -.200E+03 0.198E+03   0.137E+03 0.202E+03 -.200E+03   -.839E+00 -.152E+01 0.163E+01   0.608E-04 -.315E-05 0.362E-04
   -.443E+02 -.903E+02 0.107E+03   0.449E+02 0.860E+02 -.111E+03   -.600E+00 0.442E+01 0.378E+01   0.323E-04 -.273E-05 -.822E-04
   -.588E+02 -.220E+02 0.619E+02   0.645E+02 0.304E+02 -.672E+02   -.562E+01 -.857E+01 0.497E+01   -.654E-04 -.102E-03 -.103E-03
   -.271E+03 0.425E+02 0.813E+02   0.266E+03 -.507E+02 -.763E+02   0.500E+01 0.824E+01 -.503E+01   0.501E-03 -.178E-03 0.228E-03
   -.247E+03 -.155E+02 -.123E+03   0.247E+03 0.157E+02 0.125E+03   -.552E+00 -.132E+00 -.159E+01   -.329E-04 0.371E-04 0.330E-04
   -.210E+03 -.151E+03 0.466E+02   0.211E+03 0.153E+03 -.464E+02   -.276E+00 -.137E+01 -.137E+00   -.368E-04 0.742E-04 -.359E-04
   -.190E+03 -.181E+03 0.102E+03   0.190E+03 0.183E+03 -.103E+03   0.502E+00 -.161E+01 0.115E+01   -.606E-04 0.153E-03 -.363E-04
   -.292E+03 0.399E+02 -.211E+03   0.292E+03 -.412E+02 0.213E+03   0.430E+00 0.133E+01 -.242E+01   -.104E-03 -.385E-05 0.703E-04
   -.290E+03 -.499E+02 -.178E+03   0.290E+03 0.500E+02 0.179E+03   -.416E-01 -.181E+00 -.124E+01   -.106E-03 0.825E-04 0.407E-04
   -.217E+03 -.961E+02 -.185E+02   0.217E+03 0.960E+02 0.184E+02   0.311E+00 0.195E+00 0.112E+00   -.707E-04 0.151E-03 -.204E-05
   -.169E+03 -.494E+02 -.109E+03   0.170E+03 0.531E+02 0.111E+03   -.965E+00 -.399E+01 -.253E+01   -.135E-04 -.283E-04 0.547E-05
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 -----------------------------------------------------------------------------------------------
   0.126E+02 0.355E+01 -.154E+02   -.685E-11 0.176E-11 0.148E-11   -.126E+02 -.353E+01 0.154E+02   -.130E-01 -.629E-02 -.842E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.06364      3.16350      1.34808         0.020793      0.208327      0.145180
     12.84596      3.57600      2.66356         0.114911      0.244039     -0.155452
     12.83218      4.93436      3.01623        -0.047223      0.006705     -0.179498
     13.09928      4.09588      0.31523         0.044179     -0.144483      0.067500
     12.97513      5.44477      0.65172         0.106885     -0.088726     -0.004635
     12.93990      5.91649      1.98959        -0.075817      0.063483     -0.074486
     13.22610      1.69163      1.33619         0.034592     -0.414373     -0.320875
     12.66607      2.34904      3.49220        -0.084704     -0.021642      0.197128
     13.05083      7.40219      2.23412        -0.051895     -0.097324      0.067414
     13.05640      7.98775      3.52694        -0.054509      0.138004     -0.135798
     13.30964      9.36064      3.65637        -0.031248     -0.117173     -0.070358
     13.21492      8.28556      1.13454         0.043180      0.058568      0.129080
     13.43861      9.65619      1.26854        -0.020494      0.277241      0.192301
     13.51032     10.19204      2.55795         0.029013     -0.092477      0.184807
     13.73602     11.58610      3.05569        -0.098637      0.230365     -0.018557
     13.38990     10.18848      4.89732        -0.038376     -0.014918     -0.230541
     13.72320     12.66398      5.41155         0.083324     -0.123687      0.097608
     13.44957     12.54493      6.78456         0.033938     -0.075278      0.136918
     13.46128     13.66130      7.62917         0.140531     -0.204243     -0.235363
     14.08273     13.94988      4.98895         0.001721      0.123645     -0.027756
     14.10183     15.06646      5.85483         0.055232     -0.104493     -0.238801
     13.79140     14.97869      7.25229        -0.042627      0.085675      0.247765
     13.86309     16.09460      8.30860         0.058627      0.056264      0.181021
     13.28148     16.07854      9.63941        -0.003589      0.104129     -0.027149
     13.36224     17.20357     10.48037        -0.018469      0.089126      0.047143
     14.54378     17.31202      8.03160         0.065110     -0.029616      0.155874
     14.53793     18.45276      8.84532        -0.045532     -0.131793     -0.081509
     13.92600     18.41138     10.09089         0.101671      0.021482     -0.142625
     12.47488     14.97663     10.30364         0.000385     -0.064228     -0.016171
     14.67818     16.28600      5.17313         0.096655     -0.036250      0.028727
      9.75525      3.85178      4.77152         0.034371      0.054818      0.029705
      9.73692      4.77880      3.73299        -0.047591      0.168966      0.060837
      9.82839      6.15864      3.99797         0.010981     -0.022537      0.087009
      9.88668      4.25728      6.09557         0.029097     -0.002049     -0.178065
      9.94221      5.62103      6.36581         0.069232     -0.040296     -0.147810
      9.92836      6.61113      5.34681        -0.010405     -0.044586      0.002062
      9.50988      2.49007      4.23733         0.219574      0.449625     -0.454635
      9.59644      4.01059      2.44699         0.074199     -0.083354     -0.174222
     10.00612      8.06360      5.73863         0.040744     -0.030677     -0.013151
     10.08602      9.10604      4.77918         0.125194      0.015091      0.171713
     10.21312     10.42487      5.21518        -0.094941     -0.066350     -0.096749
      9.98064      8.45094      7.10728        -0.058511      0.023017     -0.116587
     10.03722      9.78470      7.52929         0.086864      0.070417      0.006933
     10.19141     10.77359      6.56475        -0.007470     -0.006635     -0.279677
     10.27443     12.25358      6.66669         0.015630      0.502629      0.506785
     10.32761     11.67825      4.41773         0.124153     -0.058997     -0.182559
     10.77233     14.12071      4.95020         0.049581     -0.096791     -0.108690
     11.27469     14.43604      3.68144         0.007113      0.131343     -0.051843
     11.67625     15.74384      3.38087        -0.117550     -0.044656      0.003315
     10.65796     15.20091      5.83357        -0.146495     -0.003920     -0.097624
     11.01347     16.52857      5.51047         0.008826     -0.032952     -0.087200
     11.56833     16.88169      4.21166         0.006796      0.145295     -0.078853
     12.01707     18.28568      3.69754         0.014627     -0.110863      0.211159
     12.58134     18.69114      2.42245         0.072746      0.107278      0.143269
     12.89221     20.04099      2.15586         0.006624      0.003659     -0.007140
     11.91540     19.38487      4.57792         0.070255      0.123132     -0.104983
     12.19298     20.72896      4.30747        -0.050621     -0.174827      0.046794
     12.64242     21.10002      3.03669         0.051960      0.105663      0.041683
     13.01103     17.82412      1.24711        -0.006839     -0.401431     -0.176178
     10.79567     17.44395      6.70872         0.012916      0.156921      0.171654
     10.40007      7.07956     14.66089         0.055380      0.487730      0.169301
     10.29437      7.48968     15.99424         0.156852      0.347454     -0.272779
     10.33384      8.85714     16.34845         0.023907     -0.064875     -0.107117
     10.41014      8.04228     13.64241         0.176591     -0.374061      0.099087
     10.35117      9.39595     13.98910         0.130181      0.027217      0.144730
     10.38199      9.86591     15.33484         0.002242      0.155735     -0.031745
     10.48731      5.59468     14.63761         0.397967     -0.910143     -1.352129
     10.13370      6.24179     16.81229        -0.010421      0.105287      1.370308
     10.46993     11.38324     15.59140         0.037311     -0.152353      0.052847
     10.49868     11.98626     16.88787         0.030150      0.051849     -0.115855
     10.64463     13.38491     17.01369         0.012796     -0.049136     -0.065110
     10.56442     12.28253     14.48631         0.048631     -0.040314      0.158406
     10.70997     13.66928     14.61863        -0.032760      0.133091      0.206430
     10.75695     14.22171     15.90110         0.060321     -0.124666      0.175362
     10.89957     15.64571     16.36200        -0.061723      0.165073     -0.008426
     10.68109     14.26287     18.23871        -0.047853      0.058281     -0.070890
     10.71195     16.81142     18.67340         0.023382     -0.205258     -0.115940
     10.11638     16.75253     19.93526         0.048493      0.170080      0.116581
      9.93651     17.91174     20.70801         0.063476     -0.094191     -0.163587
     11.16515     18.09245     18.30490         0.037347      0.029402     -0.025336
     11.03409     19.25287     19.10927         0.152408     -0.026440     -0.042612
     10.39727     19.21650     20.42504        -0.122470     -0.043826     -0.058996
     10.15684     20.35227      0.20711        -0.023189     -0.082548     -0.018281
      9.52528     20.30522      1.52047         0.055020     -0.025065     -0.046428
      9.31861      0.19690      2.31193        -0.070747     -0.081728     -0.086818
     10.55181      0.41309     21.16651        -0.074049      0.131054     -0.197608
     10.26867      1.57186      0.64198         0.050526      0.049117      0.024069
      9.67619      1.49213      1.90928        -0.024437      0.076044     -0.160389
      8.87667     19.11081      2.19485         0.004346     -0.163376     -0.296359
     11.71858     20.44173     18.41473         0.197307      0.093218     -0.038160
      7.23438      7.64803     17.44014        -0.049683      0.083793     -0.069508
      7.17111      8.58609     16.40746        -0.160458      0.013406      0.127556
      7.14364      9.96487     16.67949         0.076005     -0.026284      0.079197
      7.35546      8.05097     18.76480         0.094201      0.042606     -0.047522
      7.37778      9.42264     19.03265        -0.019520     -0.070698     -0.149913
      7.25610     10.41979     18.02658         0.033582      0.049048      0.005312
      6.94393      6.30210     16.88212         0.087841     -0.364599      0.079202
      7.02346      7.81330     15.12372         0.117089      0.056916     -0.380148
      7.23308     11.88269     18.43998         0.007527     -0.136714     -0.032438
      7.23576     12.96703     17.51745         0.079291      0.046939      0.130085
      7.22615     14.28597     17.99795        -0.017792     -0.140506      0.009515
      7.24695     12.22154     19.82146         0.002705     -0.016277     -0.129756
      7.26064     13.53542     20.29047         0.073493      0.182107     -0.085368
      7.21950     14.57148     19.36319         0.002876     -0.045288     -0.184811
      7.18675     16.04435     19.54719        -0.056784      0.640393      0.626018
      7.29178     15.59245     17.27115         0.058725      0.088605     -0.370743
      7.53696     18.04546     17.97307         0.129282     -0.078856     -0.048333
      8.27758     18.41729     16.85125         0.025194      0.081338     -0.059313
      8.61882     19.75273     16.63453        -0.050732     -0.009295      0.064527
      7.13818     19.10793     18.80480        -0.137179     -0.140837     -0.130215
      7.43014     20.47492     18.54807         0.078786     -0.065069     -0.155850
      8.23377     20.87648     17.39169         0.141273      0.122101     -0.038104
      8.76303      1.01584     16.91339        -0.009324     -0.058288     -0.105790
      9.40895      1.37800     15.65114         0.164515      0.315938      0.216077
      9.85571      2.70653     15.40030        -0.154322     -0.135340     -0.051324
      8.66466      2.13371     17.76752         0.087305     -0.087209      0.097262
      9.15341      3.42813     17.53863         0.090881     -0.040578     -0.119143
      9.73100      3.77236     16.30309         0.143285     -0.290559      0.070019
      9.85589      0.51668     14.45987         0.463646     -0.169943      0.005116
      6.76585      0.11444     19.59361        -0.029350      0.132091     -0.044438
      6.93861     10.86555      6.12867         0.005859      0.070007      0.075710
      6.81615     11.29959      7.44422         0.045015      0.170994     -0.062102
      6.87548     12.67003      7.77708         0.029984     -0.084735     -0.094833
      7.18419     11.78535      5.10640        -0.067771     -0.148516      0.121760
      7.26717     13.14031      5.44052        -0.084426     -0.046393      0.100977
      7.08772     13.64528      6.75949         0.030542     -0.004583     -0.001286
      6.93093      9.37417      6.10125        -0.067982     -0.023433      0.168122
      6.76769     10.06428      8.30263        -0.002331      0.043839      0.145989
      7.18625     15.14842      7.00140         0.034749     -0.154304     -0.028696
      7.09207     15.77548      8.27466         0.060425      0.079747     -0.090656
      7.23476     17.17471      8.37949        -0.046350     -0.081289     -0.081652
      7.44446     16.00726      5.89516        -0.102911     -0.043672      0.208304
      7.50127     17.39494      5.99314        -0.053728      0.117262      0.249158
      7.38508     17.98015      7.25631        -0.048227      0.032669      0.082614
      7.56059     19.40875      7.68415        -0.064473     -0.271859      0.194357
      7.39376     18.05796      9.58446         0.013922     -0.015903     -0.117908
      7.62843     20.59304      9.98557         0.011349     -0.150169     -0.020609
      7.17322     20.57242     11.30994         0.087883      0.032107     -0.015599
      7.13980      0.48055     12.07761        -0.003244     -0.147574     -0.145882
      8.15798      0.57776      9.58100         0.048492     -0.089886      0.074626
      8.22646      1.72384     10.41972         0.081932     -0.108854     -0.154978
      7.64670      1.75101     11.74961        -0.026077      0.093608      0.143116
      7.49140      2.90863     12.78416        -0.123339     -0.032564      0.325740
      6.86846      2.85363     14.11824         0.333465     -0.000810     -0.231037
      6.69924      4.00092     14.91522         0.115738      0.071006     -0.180309
      7.93439      4.22894     12.50399        -0.231132     -0.148494      0.118297
      7.72947      5.37724     13.28829         0.112824     -0.021200      0.018262
      7.12092      5.28932     14.54784         0.055228      0.254701     -0.097943
      6.26674      1.65524     14.85802         0.240922     -0.311597     -0.327139
      9.11094      2.80184      9.80992         0.116442     -0.179331      0.074315
      4.20671     11.49850     10.65567         0.006062      0.031250     -0.155753
      3.94725     12.35857      9.59345         0.042096      0.104010      0.045267
      3.98136     13.74872      9.74320         0.141626     -0.127127      0.025514
      4.54346     12.02376     11.90232         0.017646     -0.102942     -0.193835
      4.56452     13.41373     12.06429         0.057793      0.000860     -0.185539
      4.29694     14.32127     11.00127         0.073163      0.009320     -0.144334
      3.86899     10.10637     10.23794        -0.026525     -0.137679     -0.098283
      3.49936     11.53753      8.43011         0.017645      0.201657     -0.083670
      4.34166     15.81686     11.20886         0.128464      0.056226      0.011150
      4.04959     16.77457     10.19223         0.061697      0.023143     -0.037569
      4.13202     18.14612     10.48345        -0.052776     -0.036041     -0.031732
      4.75728     16.32848     12.46624         0.019619     -0.078668     -0.014524
      4.79763     17.68779     12.76342        -0.015325      0.204000     -0.074328
      4.43677     18.59008     11.76542        -0.072828     -0.037428     -0.018428
      4.30491     20.06437     11.80159         0.018427      0.105126     -0.076312
      4.03570     19.36941      9.60789        -0.076222      0.097116     -0.669509
      4.35731      0.65178     10.06807         0.041291     -0.211941     -0.128721
      4.79088      0.99259      8.78201         0.061328     -0.048396      0.150217
      5.26968      2.27719      8.52350        -0.026456     -0.156699      0.073022
      4.24277      1.74313     10.94180         0.076781      0.126953     -0.040601
      4.73766      3.05375     10.67250         0.037258      0.079175     -0.084090
      5.37511      3.37947      9.41115         0.096128      0.141889     -0.197039
      5.98637      4.74717      8.87263         0.019262     -0.308651      0.206731
      6.48268      5.03763      7.54522         0.134262      0.184586     -0.002058
      6.81792      6.35379      7.12131         0.011403     -0.059561     -0.036509
      5.97092      5.91492      9.65852         0.186182      0.376925     -0.217283
      6.24917      7.22933      9.23358        -0.067753     -0.351456     -0.023194
      6.63581      7.50817      7.91306        -0.055456      0.236113      0.154523
      6.63863      3.99991      6.44226        -0.189369     -0.078816      0.069916
      4.31807      3.93934     11.85533        -0.085686     -0.306546      0.169126
      0.94016     14.19995      0.90136        -0.116690      0.004792      0.000968
      1.57244     14.63760      2.06632        -0.213290      0.054906     -0.219184
      1.59597     16.02583      2.37855         0.009107     -0.200726     -0.090437
      0.49136     15.09717     21.18944         0.026434      0.024303      0.178807
      0.59857     16.45918      0.21067        -0.074349     -0.190332      0.144503
      1.06234     16.98401      1.45011        -0.086689     -0.128550     -0.000227
      0.85377     12.71847      0.89896         0.220576      0.112631     -0.003704
      2.17595     13.37297      2.69446        -0.131315      0.154862     -0.082647
      0.95186     18.50082      1.64196         0.116486     -0.130947      0.078502
      1.31645     19.22848      2.81296        -0.022154      0.171926     -0.114360
      1.17851     20.63434      2.82362        -0.078052     -0.142502     -0.136232
      0.46610     19.28050      0.55256        -0.025298      0.040069      0.069530
      0.28130     20.66159      0.58889        -0.082753      0.093842      0.025919
      0.62294      0.07768      1.75550         0.049741     -0.043752     -0.068111
      0.56022      1.53452      2.06892         0.279005     -0.120585      0.270277
      1.61950      0.39718      3.82392        -0.044409     -0.016363     -0.033973
      1.36920      2.93916      4.06424        -0.103074      0.016562     -0.009824
      1.96040      2.97964      5.33032        -0.062567      0.013399     -0.120444
      2.08464      4.18662      6.00802        -0.053170     -0.063450     -0.162376
      0.86347      4.17796      3.61840        -0.052095     -0.043628     -0.252783
      0.97298      5.38866      4.34714        -0.124361     -0.114724     -0.357714
      1.68095      5.48147      5.59978         0.105767     -0.054836      0.064502
      2.05569      6.71054      6.46282        -0.046189     -0.187895      0.150801
      2.53205      6.66890      7.81989        -0.070214      0.327423      0.043288
      2.96258      7.79573      8.54385         0.017656     -0.039956     -0.099410
      2.02953      8.04968      6.00162         0.182165      0.205232      0.060981
      2.50538      9.18352      6.69682        -0.030731     -0.072864      0.094613
      3.01406      9.08229      8.01443        -0.074597      0.091924     -0.224925
      2.81243      5.44175      8.61882        -0.184467     -0.279106      0.056342
      0.19625      6.50203      3.65889         0.098724      0.037178      0.012233
      4.66232     14.08004      0.68880         0.067738      0.204314      0.093950
      4.06144     14.97812     -0.19825         0.178874      0.067841      0.267126
      4.08581     16.37768      0.05444         0.002749     -0.037690      0.134513
      5.32727     14.55910      1.82104        -0.068578     -0.051695     -0.085620
      5.31957     15.93266      2.07904         0.008312      0.006672     -0.070079
      4.68902     16.90379      1.25202        -0.091343     -0.051084     -0.063378
      4.49732     12.67910      0.19785         0.058973     -0.147473      0.231509
      3.49652     14.12035     19.94072        -0.369570      0.449327     -0.285871
      4.73378     18.38116      1.72111        -0.129126     -0.094304     -0.191594
      4.15353     19.50797      1.05700         0.057282     -0.006854      0.058089
      4.33008     20.81567      1.57446         0.044547     -0.012524      0.112931
      5.42890     18.68162      2.92570        -0.088520     -0.010158     -0.069294
      5.61646     19.96724      3.43304        -0.093845      0.260502     -0.081360
      5.06828     21.04409      2.73201        -0.035599      0.050502     -0.000195
      5.15430      1.26235      2.99745        -0.279673     -0.150167     -0.321149
      3.86228      0.91365      1.09168        -0.091771     -0.019503     -0.163319
      4.02252      3.38979      1.96083         0.253407     -0.248435      0.126482
      3.10769      3.97852      1.06278         0.040261     -0.086970     -0.062416
      2.86319      5.36322      1.02967         0.071747      0.322549     -0.079387
      4.56531      4.31683      2.87637        -0.016642      0.349798     -0.100413
      4.27042      5.71654      2.83842        -0.095099      0.051011     -0.107529
      3.46213      6.37257      1.84796        -0.248237      0.088191     -0.214680
      3.13012      7.94795      1.71378        -0.272631     -0.188143     -0.168464
      2.04572      8.53447      0.94510        -0.200240      0.021198      0.251770
      1.65520      9.88424      1.05830         0.041362      0.061029      0.005763
      3.77997      8.99424      2.44213         0.268313     -0.131256     -0.087499
      3.34916     10.33102      2.61135         0.058247      0.115355      0.273812
      2.23099     10.83006      1.92210         0.053115      0.043715     -0.112624
      1.05405      7.81099      0.04876         0.253998     -0.142318     -0.257996
      4.90999      6.48434      3.95775        -0.017223      0.060589     -0.259262
     18.06658     17.34304     13.65725         0.168433      0.081319      0.223346
     19.08924     17.80734     14.48617        -0.055545      0.223464      0.084080
     19.35816     19.17786     14.63163        -0.157953     -0.036954     -0.074462
     17.33775     18.24358     12.87655         0.058859     -0.127812      0.081048
     17.63769     19.60796     12.98294        -0.011266     -0.024255      0.181611
     18.59400     20.13150     13.89890         0.021153     -0.021769      0.011180
     18.00349     15.85794     13.77488        -0.279358     -0.499361     -0.212633
     19.75857     16.61764     15.11204        -0.042636      0.001667     -0.171284
     18.72034      0.37043     14.11507        -0.065313     -0.207844      0.000195
     19.67817      0.94613     14.99524        -0.165400      0.122098     -0.018986
     19.62985      2.32160     15.26591        -0.071871     -0.073250     -0.098695
     17.79461      1.25668     13.49846         0.109973     -0.090177      0.123160
     17.78185      2.63098     13.73536         0.180430      0.197607      0.140729
     18.70823      3.15598     14.63594         0.115389     -0.002416      0.076528
     18.93692      4.55902     15.09035        -0.033601      0.358887      0.022115
     20.41989      3.16041     16.22695         0.047871     -0.031807      0.169113
     20.62671      5.68469     16.67200         0.149014     -0.336853      0.066336
      0.67733      5.64772     17.15515        -0.079901     -0.096672     -0.041352
      1.28633      6.80221     17.64359        -0.567827      0.127844     -0.143401
     19.97189      6.90307     16.87386        -0.467049     -0.068385     -0.028860
     20.55478      8.04736     17.45668         0.425031      0.180663      0.208372
      0.70368      8.07264     17.83688        -0.007238      0.125188     -0.064743
      1.59252      9.22698     18.43789        -0.324757      0.085988     -0.075699
      2.94224      9.15794     18.95665         0.273259      0.550977      0.337505
      3.59920     10.30641     19.52363        -0.003562     -0.143810     -0.147318
      1.06799     10.54147     18.58418         0.182373     -0.083728     -0.155405
      1.72997     11.65836     19.12562        -0.519702     -0.139416     -0.114828
      3.01824     11.57898     19.64588         0.322261     -0.066233     -0.033595
      4.03845      8.08150     18.88766        -0.260416     -0.423294     -0.210256
     19.51428      9.12940     17.74101        -0.011188     -0.136359     -0.134834
      1.94301     18.20809     14.13128        -0.104199      0.182549     -0.255773
      1.21750     19.13310     13.37436        -0.013080      0.258548      0.061649
      1.29546     20.51125     13.62712         0.119073      0.054104      0.187593
      2.83099     18.65235     15.11221        -0.211378     -0.146988     -0.031612
      2.91241     20.02618     15.37350        -0.134181     -0.020898     -0.119422
      2.14046     20.99917     14.67467        -0.223905     -0.013680      0.011404
      1.62923     16.83970     13.63955        -0.075819     -0.485658      0.149404
      0.45022     18.37460     12.32698         0.012584     -0.071165      0.045630
      2.26688      1.21540     15.00559        -0.032282     -0.123213      0.174917
      1.67932      2.23151     14.20689        -0.002465     -0.053300      0.061676
      1.93010      3.57657     14.49805         0.060896     -0.166075     -0.057442
      3.02528      1.65696     16.13051        -0.057109     -0.098960     -0.204998
      3.37842      2.99527     16.33175        -0.020721      0.349173     -0.176119
      2.85628      3.96227     15.46876        -0.141344     -0.158786     -0.134016
      3.10780      5.42950     15.28913        -0.541344     -0.313270     -0.152951
      1.38777      4.80110     13.85868        -0.580972      0.325868     -0.736725
      1.61409      7.30123     14.37242        -0.204393     -0.178898     -0.041258
      0.31331      7.58041     13.94834        -0.110026      0.028339     -0.047734
     21.02070      8.85486     14.08805         0.051364     -0.005822     -0.012199
      2.34012      8.41751     14.82351        -0.120042      0.029563     -0.113791
      1.79311      9.72114     14.94295         0.067724      0.173357     -0.106335
      0.40676     10.02102     14.56191         0.056893      0.078611     -0.045493
     20.88182     11.37562     14.55533        -0.003108     -0.147280      0.106709
     19.50377     11.66593     14.15465        -0.033819     -0.074801      0.068955
     18.96408     12.97072     14.22161         0.078297      0.002934      0.161638
      0.28149     12.55389     14.96685        -0.016067      0.019896      0.017769
     -0.25920     13.84363     15.06239         0.091208     -0.086552      0.076657
     19.68185     14.09570     14.65903         0.043903      0.235637      0.016756
     18.44246     10.68320     13.64846        -0.072790     -0.290110     -0.075010
      2.90256     10.69439     15.39395        -0.002908      0.031285      0.051083
     16.15692      0.42041      5.23458         0.074041      0.046659      0.062314
     16.87551      0.83078      6.35389         0.004971      0.215502     -0.079339
     16.92233      2.18882      6.73496        -0.101308     -0.072424     -0.057828
     15.42680      1.33396      4.49371         0.168805     -0.060865      0.018233
     15.48330      2.67732      4.85865         0.076962     -0.013074      0.034664
     16.22634      3.16640      5.95790         0.003705     -0.018703      0.032636
     16.43014     20.24961      4.94994        -0.038580     -0.221439     -0.278938
     17.57830     20.86963      6.87503         0.201639     -0.000677      0.217619
     16.24099      4.66822      6.19946        -0.003896     -0.125355      0.086273
     16.98958      5.29958      7.22444        -0.201591      0.072432      0.057836
     16.91636      6.69508      7.39101        -0.068017     -0.139670      0.000784
     15.46635      5.52878      5.37275         0.140158     -0.045667      0.131053
     15.46595      6.91803      5.49277         0.117899      0.088040      0.062274
     16.21225      7.50706      6.50861         0.078586     -0.082769      0.105157
     16.46180      8.94008      6.85202         0.042422     -0.104172      0.161335
     17.48620      7.58104      8.45216        -0.073548      0.082020     -0.075895
     17.74539     10.11814      8.73963        -0.074079     -0.062029      0.079013
     18.80141     10.01424      9.64554         0.006027      0.117867      0.150288
     19.36935     11.15849     10.20938        -0.170918     -0.286352     -0.022968
     17.27399     11.42973      8.52938        -0.028711     -0.007100      0.075684
     17.82373     12.57546      9.16439        -0.028279     -0.197902     -0.226666
     18.95553     12.48469     10.05694         0.125136      0.118682      0.072316
     19.75227     13.57635     10.80096         0.040689     -0.006530      0.068175
     21.04329     13.46608     11.46006         0.107563     -0.018477     -0.082716
      0.43053     14.59342     12.00672         0.072167      0.019588     -0.084672
     19.24568     14.89298     10.89312        -0.093405     -0.075332     -0.111612
     19.91683     16.01927     11.37962         0.004050      0.137084      0.079767
     21.17428     15.89051     11.98189         0.036727      0.107607      0.000021
      0.78606     12.30209     11.52433        -0.165382     -0.008733     -0.097625
     17.04297     13.82433      8.81662        -0.116009      0.171117      0.094424
     20.37250      1.37301      6.13666        -0.134195     -0.005584      0.002824
     19.78891      2.41416      5.40977        -0.031978      0.172543      0.113426
     19.78009      3.72518      5.86682        -0.063580     -0.183310      0.179241
     20.89696      1.61980      7.40042        -0.047000      0.021467     -0.042262
     20.80064      2.92263      7.90668        -0.037225      0.034208      0.076410
     20.27149      4.01764      7.16838        -0.111444     -0.153421     -0.087557
     20.23383      0.11894      5.34080        -0.010199     -0.085320     -0.064722
     19.17830      1.84734      4.16813         0.150738     -0.015196      0.212001
     20.30414      5.42961      7.66901         0.039566      0.092429      0.105540
     19.91781      6.48019      6.81431        -0.033487      0.107989      0.095050
     20.21123      7.80266      7.13658        -0.037097      0.205780     -0.113239
     -0.45679      5.81286      8.94144        -0.015810     -0.055910      0.012574
     -0.08060      7.13014      9.22923        -0.068369      0.232711      0.065564
     20.91239      8.12672      8.28602         0.070086      0.186404      0.050586
     -0.01434      9.59332      8.24576        -1.219553     -1.124756     -1.271317
     19.93553      9.06244      6.37578         0.337997      0.094704      0.642168
     20.41023     11.54620      6.76187        -0.112817     -0.189803      0.028794
     19.50040     11.96089      5.77515        -0.015867      0.096843      0.050356
     19.21567     13.31864      5.59807         0.074186     -0.293409      0.017894
     21.06998     12.59575      7.43759         0.078068     -0.045433     -0.001967
     20.82715     13.96903      7.20111         0.013413     -0.089245     -0.084025
     19.82440     14.41016      6.25691        -0.129504      0.238936     -0.178162
     19.32357     15.83943      5.96264         0.063699     -0.090169      0.064634
     18.51486     16.29857      4.85534        -0.005517      0.178421      0.013812
     17.98819     17.61463      4.81896         0.061466     -0.046138      0.025414
     19.55910     16.87492      6.90207        -0.112773      0.095781     -0.008143
     18.95211     18.13445      6.92879         0.092830     -0.133462     -0.101800
     18.09870     18.53174      5.88594         0.027905      0.067125      0.120363
     17.98041     15.44151      3.70593         0.138408      0.070616     -0.032947
      0.55452     14.86419      7.94076         0.208913      0.035849     -0.082624
     12.71956      5.21472      4.06616        -0.028965     -0.006526     -0.061860
     13.20527      3.78193     20.53253        -0.019066      0.027020      0.062155
     12.91876      6.15120     21.08379         0.105475     -0.044656      0.030955
     12.85493      7.39928      4.42458         0.006914      0.009867     -0.061196
     13.17255      7.89731      0.12218         0.046857     -0.003958     -0.088061
     13.54206     10.28839      0.38432         0.046061      0.002612      0.042196
     13.27846     13.43136      8.66396        -0.004778     -0.025557      0.180452
     13.28905     11.56192      7.22813        -0.146990      0.131255     -0.065026
     14.39025     14.09988      3.95684        -0.150460     -0.027835      0.086923
     12.92406     17.14677     11.47615        -0.010999     -0.017545     -0.117779
     15.10526     17.43120      7.11889        -0.097208     -0.104663      0.210535
     14.98007     19.38551      8.46646         0.057307     -0.279905      0.098263
      9.82053      6.87804      3.17428        -0.070968     -0.132580      0.011381
      9.86770      3.53202      6.90314         0.093855      0.037935     -0.079121
      9.93434      5.90558      7.41722         0.201871      0.051801     -0.040833
     10.05314      8.88919      3.71320         0.022706      0.049511     -0.072295
      9.85201      7.70133      7.88894         0.067418      0.002221     -0.083359
      9.93851     10.04188      8.58675         0.101777     -0.039488     -0.025653
     12.11745     15.83524      2.40226        -0.009218      0.079558     -0.018720
     11.36882     13.67690      2.90554         0.110377      0.075580      0.102129
     10.24256     15.00123      6.81147         0.110357     -0.006385      0.150230
     13.36725     20.28541      1.21430        -0.102487     -0.033119     -0.123012
     11.58432     19.23154      5.58672         0.071674      0.008033     -0.035396
     12.05206      0.19023      5.11073        -0.065094      0.011459     -0.131568
     10.29699      9.12192     17.40707         0.017328      0.028681      0.005217
     10.46883      7.74411     12.58970        -0.058804      0.037349      0.139777
     10.29514     10.10574     13.16005         0.069727     -0.079031      0.134502
     10.38574     11.38040     17.79210         0.088004      0.050988     -0.055269
     10.53903     11.90757     13.46309         0.012974     -0.044913      0.070139
     10.77519     14.30801     13.73674         0.033917     -0.029467     -0.046009
      9.39840     17.72632      0.36170        -0.002955      0.000009     -0.012778
      9.81759     15.80338     20.37412        -0.127279      0.014507     -0.093124
     11.64503     18.22269     17.33873        -0.076417     -0.139682      0.047841
      8.83655      0.07563      3.28016         0.152699      0.062359     -0.158111
     11.12546      0.59187     20.27135        -0.079215      0.044802     -0.075416
     10.52094      2.53846      0.20492         0.087500     -0.056978      0.078083
      7.00409     10.67889     15.86590         0.040556     -0.061359     -0.052626
      7.34882      7.32376     19.58211         0.109059      0.070037     -0.135621
      7.39276      9.70941     20.08165         0.180459      0.019166      0.013659
      7.29488     12.78757     16.44422        -0.085023      0.023899     -0.066565
      7.21464     11.44884     20.58804         0.095667     -0.017736     -0.091140
      7.31231     13.74561      0.09997        -0.016511     -0.048266     -0.041091
      9.26765     19.88647     15.79121         0.180908      0.087512     -0.131426
      8.62631     17.68197     16.13110         0.073663     -0.014470      0.032512
      6.54803     18.85875     19.68250         0.112124      0.068277     -0.011953
     10.27626      2.92429     14.41666         0.012697     -0.035028      0.313188
      8.17659      2.00214     18.72452         0.083395      0.007037      0.127120
      9.09320      4.14287     18.34838        -0.196294      0.196300      0.054943
      6.79176     12.97861      8.81724         0.003365     -0.053905      0.107906
      7.37582     11.45722      4.08026        -0.120766      0.004150      0.075356
      7.54319     13.81733      4.63328        -0.146323      0.001307     -0.004416
      6.94392     15.18362      9.17672         0.040526     -0.020882      0.097455
      7.68630     15.58262      4.92425        -0.187000     -0.007086     -0.083505
      7.74048     17.99311      5.11687        -0.050351      0.056462      0.002014
      6.67728      0.32692     13.02866        -0.119605      0.010833      0.076489
      6.83184     19.65553     11.78972         0.054267      0.024455     -0.172480
      8.56865      0.65782      8.57833        -0.034490     -0.022593      0.037501
      6.22228      3.87360     15.87577         0.042591      0.133764      0.086564
      8.50619      4.40927     11.61271         0.013337      0.031974     -0.323308
      8.07547      6.34289     12.90551        -0.022401     -0.203331      0.059540
      3.68224     14.37148      8.90712         0.175307      0.067519     -0.153867
      4.69775     11.36866     12.75703         0.147943      0.019699     -0.138975
      4.73101     13.78208     13.07558         0.096275      0.053435     -0.025721
      3.78010     16.47046      9.17937        -0.006907     -0.038596      0.003781
      5.05716     15.64886     13.26268         0.005471     -0.032063     -0.058859
      5.12248     18.03702     13.74637        -0.024694     -0.050877     -0.087136
      5.56668      2.35796      7.50013         0.116962      0.086857      0.058536
      4.77509      0.25904      7.97436         0.111897      0.071400      0.056379
      3.74014      1.59452     11.88745         0.127509     -0.127530      0.148386
      7.22141      6.44471      6.11817        -0.171305      0.154679     -0.008323
      5.62314      5.87577     10.67045         0.092010     -0.102504      0.150633
      6.11084      8.02558      9.95824         0.024174      0.008133      0.032821
      2.03993     16.35238      3.32018         0.000799      0.022105      0.044784
      0.10708     14.77612     20.21321        -0.023249     -0.070045      0.292159
      0.27645     17.12630     20.67504        -0.045548     -0.032391      0.032774
      1.71093     18.73427      3.70280         0.026184     -0.031031     -0.025028
      0.21299     18.80914     20.86799        -0.034630     -0.041220     -0.025661
     -0.09561     -0.06323     20.97105         0.006482     -0.026415      0.094903
      2.54022      4.01923      6.95244         0.095583      0.093562      0.028371
      2.30746      2.07428      5.82835         0.029114      0.126873     -0.140068
      0.32480      4.20573      2.66634         0.143303     -0.054063      0.307813
      3.25617      7.66797      9.57916         0.044046      0.037896     -0.128008
      1.66537      8.25944      5.00540        -0.042222     -0.002998     -0.207430
      2.42729     10.16101      6.22470         0.077413     -0.059118     -0.110364
      3.63591     17.05780     20.58701        -0.056007     -0.028598     -0.011645
      5.84229     13.88165      2.51129        -0.141983      0.029287     -0.113350
      5.86031     16.25618      2.96977        -0.138644     -0.124156     -0.077853
      3.57092     19.37634      0.14406         0.035919      0.021515     -0.059615
      5.91818     17.88372      3.48031        -0.109517      0.071729      0.034476
      6.22860     20.11407      4.32537        -0.144457      0.084718      0.035492
      2.09450      5.63562      0.32413         0.122610      0.028272     -0.224159
      2.53128      3.35986      0.38006         0.042032     -0.027541     -0.101741
      5.22787      3.96330      3.66448        -0.092690      0.026187     -0.074881
      0.84553     10.21546      0.42100        -0.017706     -0.017178      0.181818
      4.71583      8.79675      2.95647        -0.075145     -0.041916     -0.144230
      3.90793     10.96688      3.31233        -0.043076     -0.151279     -0.309246
     20.16295     19.50048     15.29222        -0.061169     -0.047015      0.132724
     16.56415     17.89051     12.18642         0.074708      0.062424      0.063012
     17.08350     20.28281     12.33055        -0.000825      0.013186      0.047900
     20.46029      0.33815     15.44626        -0.040658     -0.044340      0.197374
     17.03739      0.87098     12.82058        -0.040043     -0.081883     -0.025043
     17.06001      3.28311     13.24534        -0.059538      0.008258     -0.054853
      2.28918      6.64240     17.94186         0.522097      0.052219      0.038918
      1.24594      4.71744     17.15460        -0.079754      0.117570      0.033792
     18.92147      6.96016     16.61054        -0.003486      0.035609     -0.102440
      4.62605     10.14573     19.86097        -0.326203      0.297362      0.032944
      0.06482     10.74295     18.22678         0.075788      0.013848      0.063384
      1.17373     12.58793     19.16187        -0.046693      0.138008     -0.074363
      0.70823     21.20622     13.01715         0.050428     -0.138026      0.045398
      3.46203     17.92509     15.63647        -0.130193      0.193017      0.076210
      3.64228     20.33501     16.12084        -0.044489      0.122082      0.018392
      1.05743      1.98237     13.34454        -0.030739      0.059945      0.042960
      3.44871      0.94399     16.84226        -0.124940     -0.043697     -0.131642
      4.07998      3.26941     17.12188        -0.105514     -0.026351      0.058411
     19.98684      8.89324     13.78950        -0.020988      0.088597      0.012709
     20.97866      6.78925     13.49398        -0.163577      0.092949      0.158909
      3.38737      8.28120     15.05593         0.044526     -0.060559      0.191723
     17.93353     13.12999     13.92651        -0.024552     -0.090415     -0.115091
      1.33565     12.50312     15.19267        -0.068332      0.043524      0.134366
      0.39232     14.63139     15.43733        -0.079447     -0.010916     -0.114392
     17.53482      2.48736      7.58624        -0.032884     -0.042800      0.091787
     14.85563      1.00552      3.62952         0.178939      0.011611     -0.004910
     14.93901      3.37651      4.23180         0.057709     -0.002880     -0.006720
     17.65663      4.71383      7.85323        -0.119257     -0.001040      0.253987
     14.84078      5.11174      4.58973         0.041915     -0.015162     -0.042935
     14.87249      7.52464      4.81386         0.157160      0.006731     -0.020720
     20.20729     10.95191     10.83940        -0.021856     -0.030373      0.088217
     19.21421      9.05019      9.93990        -0.158348      0.092286     -0.056045
     16.44225     11.56978      7.84313         0.085136      0.023660      0.051231
      1.41565     14.44353     12.43487        -0.202122      0.156860      0.041265
     18.23627     15.07211     10.55065        -0.009055      0.083703     -0.018724
     19.45559     16.99785     11.25483        -0.059047     -0.046744      0.107311
     19.38464      4.48378      5.19651        -0.126814      0.100484      0.054058
      0.11490      0.81540      7.96821        -0.110683      0.114353      0.054932
     -0.06480      3.08595      8.90593         0.003335      0.109961      0.101154
     19.43090      6.27166      5.87549        -0.154448     -0.017834     -0.110715
     -0.29828      5.07083      9.72381         0.044696     -0.032488     -0.080350
      0.44234      7.35837     10.16330        -0.197302     -0.001396     -0.010272
     18.41120     13.48102      4.90360        -0.021096      0.111908     -0.042360
     18.98118     11.23211      5.15177        -0.014377      0.140326      0.166277
      0.57767     12.34029      8.15996        -0.102439     -0.029869     -0.055934
     17.36545     17.87782      3.96833         0.050821      0.030188      0.066723
     20.23402     16.70166      7.72327        -0.112521     -0.086540      0.105315
     19.17272     18.79588      7.76634        -0.050823     -0.044392     -0.100329
     13.86266     19.28693     10.74597         0.075060     -0.116332     -0.069108
     19.21525     21.08731      3.47591         0.014261     -0.029127     -0.002977
     12.83870      1.21690      2.63753         0.034651     -0.030232      0.134198
     13.64427     11.54009      4.50272         0.068496     -0.001917     -0.054456
      9.53140      2.61466      2.79317         0.068970     -0.026313      0.137831
     10.48030     12.76233      5.33791        -0.156103     -0.035053     -0.217489
     10.11949      5.12094     15.92936        -0.063800      0.024136      0.428981
     10.78970     15.63968     17.79571         0.033486     -0.088505      0.224575
      7.04710      6.41022     15.45591        -0.149552     -0.023098      0.035314
      7.29896     16.64201     18.25886        -0.091241     -0.008118     -0.245783
      6.77025      8.89959      7.44636        -0.053932      0.016453      0.164442
      7.54470     19.42100      9.12179        -0.010831      0.047317      0.198154
      3.49765     10.16974      8.82613        -0.033872     -0.106466      0.109620
      4.13139     20.53444     10.46654        -0.061491     -0.173685     -0.180300
      1.74105     12.21572      1.91089         0.170612      0.142538     -0.132082
      1.19951      1.70344      3.34673         0.002285     -0.141497     -0.016133
      3.66980     12.72706     20.29840        -0.162040     -0.049718     -0.077741
      4.33230      1.93538      2.01603        -0.202155      0.179325     -0.151124
     19.13634     15.44138     14.57392        -0.009551     -0.034741      0.033692
     20.02320      4.52965     16.03163        -0.132940      0.024553      0.039017
      0.63093     16.98038     12.60599         0.134110     -0.116619      0.105536
      2.07071      5.93126     14.43006        -0.150079     -0.005338     -0.129096
     17.39515     19.80233      5.90617         0.167045     -0.039982      0.090641
     17.21343      8.95172      8.07023         0.102590     -0.127703      0.075983
     19.49055      0.48360      4.20352         0.068186      0.139981      0.090101
     20.59420     10.14188      7.07819        -0.175087      0.133226     -0.188548
     12.42195      2.30557      4.69015        -0.012664      0.060842      0.033758
     13.66544      1.01019      0.42111        -0.106909      0.088270      0.152997
     13.22470      9.77984      6.03132        -0.004907     -0.125833      0.411698
     13.92044     12.58908      2.38301         0.028728     -0.194033      0.159622
      9.55657      4.44075      1.30467         0.020522      0.076892      0.011003
      9.31738      1.46721      4.85166         0.021025     -0.483739      0.371306
     10.28322     11.77461      3.19763        -0.015460      0.017947     -0.038380
     10.14823     12.93976      7.67561         0.087945     -0.283164     -0.364382
     10.03299      6.16685     18.04107         0.108808      0.110476     -0.777295
     10.87583      4.89257     13.69448        -0.432828      0.638142      0.794106
     10.61789     13.90463     19.40049         0.025686     -0.071629      0.189466
     11.06342     16.64297     15.67453        -0.041064     -0.146457      0.033399
      6.90268      8.25235     13.99141         0.060682      0.022570      0.000304
      6.61827      5.29836     17.49833         0.255153      0.094506      0.032495
      7.35523     15.76128     16.06097        -0.107575     -0.002606      0.078245
      7.06484     16.67011     20.59925         0.104325     -0.326134     -0.436442
      6.78764     10.04183      9.52172         0.036856     -0.008464      0.244501
      7.09140      8.67832      5.11875         0.037045     -0.254592     -0.176103
      7.45092     17.69788     10.74412         0.000686     -0.026110      0.359966
      7.70695     20.37999      6.97042        -0.065134      0.356551     -0.195400
      3.16445     11.94631      7.33176        -0.012969      0.094649     -0.364506
      3.84437      9.10464     10.93656         0.068468      0.177108     -0.091147
      3.95843     19.39824      8.38500        -0.060804      0.026990      0.439838
      4.30471     20.77559     12.78785         0.043245      0.022648      0.204900
      2.93289     13.32296      3.63815         0.241749     -0.188982      0.391490
      0.13374     12.06551      0.16592        -0.285262     -0.135712     -0.130721
      2.25763      0.19169      4.83623         0.244490     -0.062699      0.320189
      0.07195      2.42534      1.40140        -0.117636      0.138508     -0.237720
      2.99486     14.50762     18.89754        -0.043682     -0.094915      0.071932
      4.99534     11.67302      0.69088        -0.089616      0.044700     -0.162554
      3.19642      1.12990      0.09558        -0.144027      0.170419     -0.183526
      5.81823      1.80237      3.85514         0.281212      0.267624      0.323589
     -0.58302     16.63008     15.91573         0.151952      0.021629      0.175104
     17.14964     15.11570     13.30346         0.346065      0.234523      0.188739
     -0.05612      2.76052     17.07283         0.106108      0.045776      0.028341
     18.33341      5.56351     14.74223         0.084598     -0.107135      0.026671
     21.08905     18.80884     11.37200        -0.201400      0.193920     -0.026177
      2.10253     15.77356     14.02492        -0.113963      0.514739     -0.066491
      0.51260      4.86039     12.99128         0.398341     -0.070072      0.556279
      4.03373      6.09100     15.69810         0.503608      0.444833      0.472846
     18.18610     20.76766      7.92761         0.064052     -0.008708      0.052768
     15.94964     19.58089      4.04553         0.133335      0.018987      0.011864
     18.03092      7.22409      9.47743         0.078125     -0.065524      0.408399
     16.14268      9.92626      6.21606        -0.109474      0.276868     -0.172760
     18.51238      2.39557      3.31033        -0.199540      0.277116     -0.316325
     20.64719     20.24686      5.54877         0.099029     -0.020936      0.182967
     19.25829      9.18572      5.37939        -0.451628      0.048124     -0.516993
      0.66690     10.20729      9.00972         0.909866      0.825203      1.133926
     14.02505     17.47074      5.34818        -0.110083     -0.144819      0.037200
     15.94280     16.49283      5.67917        -0.030486     -0.117124     -0.057893
     14.81963     16.14923      3.82849        -0.092736      0.044500      0.219005
     11.91561     15.36620     11.49810        -0.069714     -0.101078     -0.079933
     11.43218     14.56124      9.53567        -0.042832     -0.136551     -0.036187
     13.22312     13.86592     10.63764        -0.021958     -0.006030     -0.064795
     11.95995     17.93905      7.23154        -0.087949     -0.007761     -0.111123
     10.01801     18.54545      6.44766        -0.182606     -0.027735     -0.065006
     10.16975     16.82358      7.75843         0.160902      0.030464     -0.086706
     13.25476     18.54423      0.11059         0.154780     -0.004966      0.081601
     14.15893     17.12666      1.50150        -0.081468      0.040069      0.022649
     12.07641     16.89231      0.84727         0.120262      0.124414      0.056311
     10.97609      0.33402     18.33327        -0.090307     -0.163200      0.077392
     12.88251     -0.45595     19.03828         0.037657     -0.140914      0.134174
     12.05454     20.18052     17.10882         0.062688     -0.017582      0.325824
      8.52527     19.34244      3.49676        -0.075665      0.030468     -0.015991
      7.72644     18.80344      1.51751        -0.068182     -0.197180     -0.075154
      9.59156     17.94399      2.27311         0.098085      0.083233     -0.060913
      7.62736      0.84513     20.37608         0.104023     -0.070934     -0.206679
      5.89575      1.01388     19.04263         0.045509      0.095477     -0.243919
      6.02051     20.66171     20.49889         0.052400      0.080889     -0.143697
     10.03991      1.25888     13.32298         0.019980     -0.108344     -0.021723
     11.09481     -0.02293     14.73473        -0.064209     -0.121911      0.046562
      9.07356     20.73593     14.05229         0.096188     -0.005165      0.018633
      8.53642      4.02905      9.60290        -0.064440     -0.018767      0.041017
     10.20502      3.02825     10.59822         0.110099      0.029062      0.076101
      9.59333      2.44320      8.57585         0.180834     -0.026788      0.308555
      6.06567      1.88779     16.18323        -0.116631      0.129088      0.260513
      5.07508      1.29123     14.34555        -0.338905      0.028232     -0.065191
      7.00069      0.49438     14.85104         0.021806      0.079537      0.088598
      4.96834      5.09664     12.14442        -0.025820      0.043364     -0.186315
      2.99070      4.26428     11.74041        -0.096172     -0.152727      0.110252
      4.40492      3.24115     13.03312        -0.133354      0.073741     -0.213666
      7.19857      4.47389      5.29601         0.109713      0.003792      0.148724
      7.41316      2.94469      6.83561         0.118859     -0.013286     -0.071677
      5.43199      3.46622      6.02943         0.107643      0.176889      0.039895
     -0.58093      7.24222      4.48129        -0.072942      0.061140      0.191930
      1.00743      7.43261      3.07139         0.028221     -0.173499      0.084777
     -0.66421      6.03192      2.70905         0.047079     -0.001248      0.192867
      3.23652      5.71417      9.87828        -0.063461     -0.026381     -0.249604
      1.81325      4.51277      8.80145        -0.007587      0.118837     -0.011193
      3.80490      4.76634      7.97385         0.054493      0.009521      0.149070
      6.12209      6.97419      3.53163        -0.093306     -0.090767      0.097081
      4.17903      7.53023      4.45237         0.090506     -0.142096     -0.045568
      5.10567      5.71839      5.04491         0.026069     -0.103512      0.125408
      0.13117      8.64839     20.75876        -0.259852     -0.270294      0.118452
      1.63136      7.16866     -1.02028         0.420810     -0.159532      0.267237
      0.36309      6.83538      0.66502        -0.548293     -0.247488      0.296203
     19.42604      9.39219     19.07668        -0.071187      0.077435     -0.013321
     19.73873     10.33056     17.11353         0.106330      0.034917     -0.016697
     18.26248      8.76681     17.32437        -0.022106      0.063787      0.280643
      4.87411      8.15466     19.96934         0.006495     -0.046667      0.147645
      3.79898      6.73047     18.80387        -0.041939      0.352102      0.230040
      4.75912      8.37195     17.76433        -0.048088     -0.076577     -0.044471
      3.36171     11.45104     14.34251        -0.199547      0.062713      0.073155
      2.59206     11.59273     16.37965        -0.150492     -0.198752     -0.088684
      4.01366     10.05444     15.87924        -0.151224      0.061529     -0.185598
     17.31369     11.29468     13.17461         0.079691      0.005555      0.230024
     18.84785      9.89699     12.59019         0.010011      0.102479      0.178723
     18.02326      9.81438     14.62395         0.080103      0.113803     -0.005289
     16.22203     14.18282      9.86765         0.026434     -0.004774     -0.102919
     17.77684     14.93888      8.51673         0.184790     -0.091868     -0.034768
     16.23962     13.64952      7.72947         0.159781     -0.006443      0.124159
      1.78730     12.53549     12.42406        -0.041182     -0.120370     -0.045717
      0.35525     11.04633     11.87112         0.079716      0.152110      0.068829
      1.38484     12.17730     10.31231        -0.034458      0.011377      0.082103
      1.26787     15.65625      7.07550        -0.121311      0.025183     -0.063510
      0.03998     15.71566      8.89524        -0.021984     -0.173935     -0.172168
      1.47425     14.13765      8.63763        -0.013734      0.219076     -0.246340
     17.38017     16.17302      2.72766         0.179325      0.021803     -0.047777
     18.92832     14.68527      3.06834         0.171782      0.091894      0.058600
     17.01058     14.55650      4.14104         0.108143      0.013721     -0.182205
 -----------------------------------------------------------------------------------
    total drift:                                0.003974      0.009043      0.009461


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4570.0805514429 eV

  energy  without entropy=    -4570.2318096567  energy(sigma->0) =    -4570.13097085
 
 d Force = 0.7331883E+00[ 0.249E+00, 0.122E+01]  d Energy = 0.7340055E+00-0.817E-03
 d Force = 0.8434951E+03[ 0.841E+03, 0.846E+03]  d Ewald  = 0.8434973E+03-0.222E-02


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.734005  1 .order   -0.733188   -1.217265   -0.249111
  (g-gl).g = 0.403E+01      g.g   = 0.407E+01  gl.gl    = 0.425E+01
 g(Force)  = 0.407E+01   g(Stress)= 0.000E+00 ortho     = 0.190E-01
 gamma     =   0.94953
 trial     =   0.29754
 opt step  =   0.37410  (harmonic =   0.37410) maximal distance =0.05255393
 next E    = -4570.111783   (d E  =  -0.76524)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   57(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.3495327E-01  (-0.3306366E+01)
 number of electron    2498.0000031 magnetization 
 augmentation part      162.6726681 magnetization 

  free energy =  -0.457004558940E+04  energy without entropy=  -0.457019693225E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   57(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) :-0.6857004E-01  (-0.8426587E-01)
 number of electron    2498.0000031 magnetization 
 augmentation part      162.6805270 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8872
  0.8872

  free energy =  -0.457011415944E+04  energy without entropy=  -0.457026550150E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   57(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3680
 total energy-change (2. order) : 0.2387437E-02  (-0.1754597E-02)
 number of electron    2498.0000031 magnetization 
 augmentation part      162.6774405 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4365
  1.0993  1.7738

  free energy =  -0.457011177201E+04  energy without entropy=  -0.457026329239E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   57(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) :-0.6540493E-03  (-0.1467571E-02)
 number of electron    2498.0000031 magnetization 
 augmentation part      162.6739852 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2860
  2.2071  0.8925  0.7583

  free energy =  -0.457011242606E+04  energy without entropy=  -0.457026380628E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   57(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3664
 total energy-change (2. order) :-0.1472890E-03  (-0.3038530E-03)
 number of electron    2498.0000031 magnetization 
 augmentation part      162.6746060 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3249
  2.3839  1.0101  1.0101  0.8955

  free energy =  -0.457011257334E+04  energy without entropy=  -0.457026409654E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   57(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3528
 total energy-change (2. order) : 0.1457855E-03  (-0.1858769E-03)
 number of electron    2498.0000031 magnetization 
 augmentation part      162.6742716 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2724
  2.3860  1.0321  1.0321  0.9558  0.9558

  free energy =  -0.457011242756E+04  energy without entropy=  -0.457026385795E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   57(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3600
 total energy-change (2. order) :-0.1205454E-04  (-0.3142988E-04)
 number of electron    2498.0000031 magnetization 
 augmentation part      162.6746849 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2503
  2.4169  0.9536  0.9536  1.2317  1.2317  0.7141

  free energy =  -0.457011243961E+04  energy without entropy=  -0.457026401627E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   57(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3008
 total energy-change (2. order) : 0.7565919E-05  (-0.3798936E-05)
 number of electron    2498.0000031 magnetization 
 augmentation part      162.6746849 magnetization 

  free energy =  -0.457011243205E+04  energy without entropy=  -0.457026390434E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0597       2 -56.1426       3 -56.0636       4 -55.8427       5 -55.8307
       6 -56.3050       7 -58.1504       8 -58.2166       9 -56.2749      10 -55.9601
      11 -56.0203      12 -55.7977      13 -55.8169      14 -56.0099      15 -58.1190
      16 -58.0721      17 -56.3714      18 -54.9999      19 -54.9019      20 -55.1298
      21 -55.6673      22 -55.6467      23 -55.6815      24 -55.6119      25 -54.9676
      26 -54.7951      27 -54.9432      28 -54.9321      29 -60.3820      30 -60.3809
      31 -55.6763      32 -55.8395      33 -55.7425      34 -55.3418      35 -55.5055
      36 -55.9962      37 -57.8417      38 -57.9942      39 -56.0783      40 -55.7854
      41 -55.9028      42 -55.6952      43 -55.7313      44 -55.8989      45 -58.0775
      46 -58.1176      47 -56.4579      48 -55.1444      49 -54.9572      50 -55.2783
      51 -55.9078      52 -55.8735      53 -55.7778      54 -55.7449      55 -55.1002
      56 -54.8574      57 -55.0204      58 -56.3742      59 -60.3506      60 -60.6104
      61 -56.0057      62 -56.0552      63 -55.9489      64 -55.8022      65 -55.7725
      66 -56.2595      67 -58.0828      68 -58.1249      69 -56.2475      70 -55.9100
      71 -56.0089      72 -55.7273      73 -55.6868      74 -55.9412      75 -58.0691
      76 -58.1254      77 -56.4460      78 -55.1133      79 -54.9765      80 -55.2490
      81 -55.8740      82 -55.8781      83 -55.8960      84 -55.9155      85 -55.2256
      86 -55.0565      87 -55.1994      88 -56.4407      89 -60.6954      90 -60.4271
      91 -55.7293      92 -55.8524      93 -55.7511      94 -55.5097      95 -55.5577
      96 -56.0599      97 -57.8699      98 -57.9897      99 -56.1794     100 -55.8999
     101 -56.0345     102 -55.6904     103 -55.7468     104 -55.9680     105 -58.0931
     106 -58.1895     107 -56.4840     108 -55.1590     109 -54.9838     110 -55.4086
     111 -55.9873     112 -55.9050     113 -55.8132     114 -55.8165     115 -55.1121
     116 -54.9452     117 -55.0579     118 -56.3903     119 -60.4157     120 -60.6256
     121 -55.9192     122 -55.9719     123 -55.8380     124 -55.7432     125 -55.7364
     126 -56.1475     127 -58.0417     128 -58.1501     129 -56.0837     130 -55.7448
     131 -55.8429     132 -55.6279     133 -55.5678     134 -55.7845     135 -57.9022
     136 -57.9879     137 -56.4299     138 -55.0895     139 -54.9017     140 -55.2652
     141 -55.8716     142 -55.8494     143 -55.9491     144 -55.9046     145 -55.2101
     146 -55.1307     147 -55.2506     148 -56.4656     149 -60.5611     150 -60.6036
     151 -55.6269     152 -55.6478     153 -55.4926     154 -55.3475     155 -55.4249
     156 -55.8887     157 -57.9585     158 -57.8370     159 -55.9914     160 -55.7383
     161 -55.9040     162 -55.5200     163 -55.5850     164 -55.8081     165 -57.9634
     166 -58.0662     167 -56.4445     168 -55.0597     169 -54.8442     170 -55.2922
     171 -55.9257     172 -55.8896     173 -55.8518     174 -55.7846     175 -55.3378
     176 -54.8537     177 -55.0608     178 -56.4887     179 -60.5044     180 -60.6294
     181 -55.9130     182 -56.0730     183 -55.9320     184 -55.6998     185 -55.6770
     186 -56.2213     187 -58.0164     188 -58.2011     189 -56.2302     190 -55.8622
     191 -55.9952     192 -55.7196     193 -55.7115     194 -55.9377     195 -58.0808
     196 -58.1470     197 -56.5093     198 -55.0850     199 -54.9497     200 -55.2892
     201 -55.9065     202 -55.9397     203 -55.9269     204 -55.8774     205 -55.1659
     206 -55.2380     207 -55.2081     208 -56.4736     209 -60.7389     210 -60.5186
     211 -55.9249     212 -56.0437     213 -55.9246     214 -55.7264     215 -55.6649
     216 -56.1967     217 -58.0803     218 -58.1753     219 -56.0843     220 -55.7686
     221 -55.8537     222 -55.5405     223 -55.4680     224 -55.7729     225 -57.9585
     226 -58.0373     227 -56.5394     228 -55.1202     229 -55.0403     230 -55.2825
     231 -55.7847     232 -55.9167     233 -55.9215     234 -55.7060     235 -54.9970
     236 -55.0885     237 -55.2012     238 -56.4452     239 -60.3680     240 -60.3975
     241 -55.9605     242 -55.9981     243 -55.8745     244 -55.7525     245 -55.7480
     246 -56.1855     247 -58.0615     248 -58.1101     249 -56.1684     250 -55.8434
     251 -55.9538     252 -55.7119     253 -55.7040     254 -55.8865     255 -57.9556
     256 -58.0191     257 -56.3226     258 -55.0257     259 -54.7931     260 -55.1642
     261 -55.7635     262 -55.7722     263 -55.8935     264 -55.9513     265 -55.3717
     266 -54.9973     267 -55.1734     268 -56.4464     269 -60.6475     270 -60.3820
     271 -55.9217     272 -55.9873     273 -55.8376     274 -55.7322     275 -55.6813
     276 -56.1153     277 -58.1092     278 -58.1304     279 -55.9763     280 -55.6900
     281 -55.7905     282 -55.5433     283 -55.5122     284 -55.8043     285 -58.0594
     286 -57.9486     287 -56.4131     288 -55.0093     289 -54.9354     290 -55.2669
     291 -55.9120     292 -55.8696     293 -55.8631     294 -55.8528     295 -55.2052
     296 -54.9632     297 -55.0720     298 -56.4230     299 -60.4320     300 -60.5881
     301 -55.8555     302 -55.9935     303 -55.8934     304 -55.5932     305 -55.6198
     306 -56.1201     307 -58.0280     308 -58.1977     309 -56.1322     310 -55.8051
     311 -55.9382     312 -55.6622     313 -55.6348     314 -55.8683     315 -57.9853
     316 -58.0519     317 -56.4127     318 -55.0371     319 -54.8170     320 -55.2562
     321 -55.8143     322 -55.7534     323 -55.8748     324 -55.9032     325 -55.2029
     326 -55.0781     327 -55.2305     328 -56.4468     329 -60.6190     330 -60.4230
     331 -55.7635     332 -55.7784     333 -55.6821     334 -55.6033     335 -55.5695
     336 -56.0361     337 -57.9391     338 -57.9178     339 -55.8950     340 -55.5555
     341 -55.7087     342 -55.5131     343 -55.5010     344 -55.7223     345 -58.0201
     346 -57.9409     347 -56.4541     348 -55.0252     349 -54.9604     350 -55.2704
     351 -55.8566     352 -55.8396     353 -55.7994     354 -55.7781     355 -55.2397
     356 -54.9135     357 -55.0349     358 -56.4537     359 -60.4788     360 -60.5716
     361 -39.1271     362 -38.8060     363 -38.9953     364 -39.0701     365 -39.0321
     366 -38.7536     367 -38.1788     368 -38.0276     369 -38.0557     370 -38.0792
     371 -38.1196     372 -38.1451     373 -38.7534     374 -38.3251     375 -38.7066
     376 -38.8604     377 -38.8529     378 -38.7514     379 -38.1434     380 -38.1117
     381 -38.2754     382 -38.0802     383 -38.2378     384 -38.0065     385 -38.8854
     386 -38.7582     387 -38.8929     388 -38.8639     389 -38.8628     390 -38.5675
     391 -38.2391     392 -38.2177     393 -38.1756     394 -38.1443     395 -38.2519
     396 -38.2714     397 -38.7684     398 -38.4272     399 -38.7798     400 -38.9165
     401 -38.7944     402 -38.7808     403 -38.2702     404 -38.1916     405 -38.3832
     406 -38.0069     407 -38.1266     408 -38.0379     409 -38.7788     410 -38.7391
     411 -38.9802     412 -38.7407     413 -38.9319     414 -38.6354     415 -38.2696
     416 -38.2383     417 -38.1572     418 -38.2288     419 -38.3568     420 -38.3022
     421 -38.5753     422 -38.3002     423 -38.5675     424 -38.6941     425 -38.5925
     426 -38.6227     427 -38.2313     428 -38.0471     429 -38.3710     430 -38.2916
     431 -38.1615     432 -38.0350     433 -38.7827     434 -38.6634     435 -38.9544
     436 -38.7305     437 -38.9897     438 -38.6614     439 -38.4762     440 -38.0977
     441 -38.1058     442 -38.1932     443 -38.3296     444 -38.1153     445 -38.8390
     446 -38.7505     447 -38.8856     448 -38.7273     449 -38.7917     450 -38.3653
     451 -38.1423     452 -38.0292     453 -38.1490     454 -37.9729     455 -38.0729
     456 -38.0731     457 -38.9183     458 -38.6671     459 -38.8804     460 -38.9184
     461 -38.9102     462 -38.6983     463 -38.3079     464 -38.1940     465 -38.1207
     466 -38.3886     467 -38.1115     468 -38.2747     469 -38.8661     470 -38.7238
     471 -38.7627     472 -38.7891     473 -38.5805     474 -38.4532     475 -38.1743
     476 -38.0082     477 -38.2627     478 -38.1562     479 -38.1815     480 -37.9829
     481 -38.8676     482 -38.7428     483 -38.8885     484 -38.8680     485 -38.9544
     486 -38.7624     487 -38.2121     488 -38.1584     489 -38.1856     490 -38.2635
     491 -38.2277     492 -38.3206     493 -38.8423     494 -38.5498     495 -38.6550
     496 -38.7590     497 -38.5078     498 -38.4696     499 -38.2128     500 -37.9290
     501 -38.1945     502 -38.1413     503 -38.1562     504 -37.9698     505 -38.2139
     506 -41.1175     507 -71.6872     508 -71.5721     509 -71.3775     510 -71.6170
     511 -71.6694     512 -71.5300     513 -71.4100     514 -71.6307     515 -71.5509
     516 -71.4040     517 -71.4115     518 -71.5146     519 -71.5486     520 -71.6004
     521 -71.5756     522 -71.4417     523 -71.5280     524 -71.4471     525 -71.5697
     526 -71.4433     527 -71.6132     528 -71.4721     529 -71.1941     530 -71.3753
     531 -76.8607     532 -76.7849     533 -76.7551     534 -76.7770     535 -76.6255
     536 -76.6085     537 -76.7796     538 -76.7027     539 -76.6868     540 -76.5997
     541 -76.7980     542 -76.7030     543 -76.6131     544 -76.5543     545 -76.8325
     546 -76.6911     547 -76.8018     548 -76.7358     549 -76.6702     550 -76.5851
     551 -76.5050     552 -76.6559     553 -76.6280     554 -76.6438     555 -76.8321
     556 -76.7397     557 -76.8218     558 -76.7827     559 -76.7675     560 -76.7440
     561 -76.6696     562 -76.6542     563 -76.7770     564 -76.6878     565 -76.6474
     566 -76.6014     567 -76.7969     568 -76.7696     569 -76.5177     570 -76.8186
     571 -76.8485     572 -76.6820     573 -76.7419     574 -76.6669     575 -76.5821
     576 -76.5668     577 -76.6596     578 -76.8332     579 -82.3319     580 -82.3109
     581 -82.3137     582 -82.3022     583 -82.2978     584 -82.2597     585 -82.4332
     586 -82.5530     587 -82.5114     588 -82.2314     589 -82.1239     590 -82.2504
     591 -82.3615     592 -82.2064     593 -82.2680     594 -82.7327     595 -82.5607
     596 -82.6297     597 -82.4963     598 -82.4744     599 -82.5497     600 -82.2763
     601 -82.0478     602 -82.3665     603 -82.6143     604 -82.4386     605 -82.5686
     606 -82.5553     607 -82.4105     608 -82.4151     609 -82.7677     610 -82.3811
     611 -82.3690     612 -82.5204     613 -82.3959     614 -82.2415     615 -82.5797
     616 -82.4207     617 -82.3814     618 -82.7434     619 -82.7106     620 -82.7358
     621 -82.2085     622 -82.3672     623 -82.5138     624 -82.2773     625 -82.2728
     626 -82.3743     627 -82.2328     628 -82.3158     629 -82.2636     630 -82.5547
     631 -82.5016     632 -82.4437     633 -82.4862     634 -82.4870     635 -82.4384
     636 -82.3032     637 -82.3036     638 -82.2234     639 -82.1906     640 -82.3760
     641 -82.3744     642 -82.4813     643 -82.5590     644 -82.4788     645 -82.4068
     646 -82.4811     647 -82.5250     648 -82.3688     649 -82.3674     650 -82.3120
 
 
 
 E-fermi :  -1.4723     XC(G=0):  -6.4956     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.1671      2.00000
      2     -28.9899      2.00000
      3     -28.9854      2.00000
      4     -28.9469      2.00000
      5     -28.9231      2.00000
      6     -28.9203      2.00000
      7     -28.8841      2.00000
      8     -28.8521      2.00000
      9     -28.8396      2.00000
     10     -28.8339      2.00000
     11     -28.8097      2.00000
     12     -28.7954      2.00000
     13     -28.7904      2.00000
     14     -28.7807      2.00000
     15     -28.7266      2.00000
     16     -28.7027      2.00000
     17     -28.6348      2.00000
     18     -28.6213      2.00000
     19     -28.5968      2.00000
     20     -28.5829      2.00000
     21     -28.5659      2.00000
     22     -28.5606      2.00000
     23     -28.5600      2.00000
     24     -28.5154      2.00000
     25     -26.9580      2.00000
     26     -26.7401      2.00000
     27     -26.7280      2.00000
     28     -26.6881      2.00000
     29     -26.6485      2.00000
     30     -26.6416      2.00000
     31     -26.6376      2.00000
     32     -26.6278      2.00000
     33     -26.6033      2.00000
     34     -26.5887      2.00000
     35     -26.5849      2.00000
     36     -26.5527      2.00000
     37     -26.5439      2.00000
     38     -26.5356      2.00000
     39     -26.5254      2.00000
     40     -26.5235      2.00000
     41     -26.5073      2.00000
     42     -26.5041      2.00000
     43     -26.5023      2.00000
     44     -26.4962      2.00000
     45     -26.4905      2.00000
     46     -26.4839      2.00000
     47     -26.4813      2.00000
     48     -26.4461      2.00000
     49     -26.4436      2.00000
     50     -26.4367      2.00000
     51     -26.4357      2.00000
     52     -26.4070      2.00000
     53     -26.3997      2.00000
     54     -26.3888      2.00000
     55     -26.3861      2.00000
     56     -26.3679      2.00000
     57     -26.3624      2.00000
     58     -26.3316      2.00000
     59     -26.3223      2.00000
     60     -26.3165      2.00000
     61     -26.3105      2.00000
     62     -26.3082      2.00000
     63     -26.3042      2.00000
     64     -26.2873      2.00000
     65     -26.2842      2.00000
     66     -26.2704      2.00000
     67     -26.2672      2.00000
     68     -26.2656      2.00000
     69     -26.2322      2.00000
     70     -26.2310      2.00000
     71     -26.2026      2.00000
     72     -26.1190      2.00000
     73     -23.4131      2.00000
     74     -23.2443      2.00000
     75     -23.2411      2.00000
     76     -23.1834      2.00000
     77     -23.1788      2.00000
     78     -23.1781      2.00000
     79     -23.1690      2.00000
     80     -23.1520      2.00000
     81     -23.1516      2.00000
     82     -23.1318      2.00000
     83     -23.1305      2.00000
     84     -23.1005      2.00000
     85     -23.0985      2.00000
     86     -23.0896      2.00000
     87     -23.0764      2.00000
     88     -23.0572      2.00000
     89     -23.0416      2.00000
     90     -23.0317      2.00000
     91     -23.0305      2.00000
     92     -23.0250      2.00000
     93     -23.0020      2.00000
     94     -22.9867      2.00000
     95     -22.9592      2.00000
     96     -22.9345      2.00000
     97     -22.8721      2.00000
     98     -22.8300      2.00000
     99     -22.8025      2.00000
    100     -22.7820      2.00000
    101     -22.7569      2.00000
    102     -22.7477      2.00000
    103     -22.7052      2.00000
    104     -22.6934      2.00000
    105     -22.6909      2.00000
    106     -22.6890      2.00000
    107     -22.6763      2.00000
    108     -22.6632      2.00000
    109     -22.6440      2.00000
    110     -22.6283      2.00000
    111     -22.6277      2.00000
    112     -22.6271      2.00000
    113     -22.6058      2.00000
    114     -22.5614      2.00000
    115     -22.5497      2.00000
    116     -22.5378      2.00000
    117     -22.5066      2.00000
    118     -22.5013      2.00000
    119     -22.4347      2.00000
    120     -22.4054      2.00000
    121     -20.4850      2.00000
    122     -20.4007      2.00000
    123     -20.3789      2.00000
    124     -20.3725      2.00000
    125     -20.3619      2.00000
    126     -20.3358      2.00000
    127     -20.3255      2.00000
    128     -20.3139      2.00000
    129     -20.2727      2.00000
    130     -20.2683      2.00000
    131     -20.2581      2.00000
    132     -20.2523      2.00000
    133     -20.2336      2.00000
    134     -20.2276      2.00000
    135     -20.1997      2.00000
    136     -20.1962      2.00000
    137     -20.1952      2.00000
    138     -20.1899      2.00000
    139     -20.1808      2.00000
    140     -20.1806      2.00000
    141     -20.1437      2.00000
    142     -20.1233      2.00000
    143     -20.1187      2.00000
    144     -20.0127      2.00000
    145     -18.6770      2.00000
    146     -18.5249      2.00000
    147     -18.5218      2.00000
    148     -18.5117      2.00000
    149     -18.5042      2.00000
    150     -18.4963      2.00000
    151     -18.4479      2.00000
    152     -18.4421      2.00000
    153     -18.4308      2.00000
    154     -18.4174      2.00000
    155     -18.3782      2.00000
    156     -18.3395      2.00000
    157     -18.3343      2.00000
    158     -18.2366      2.00000
    159     -18.2280      2.00000
    160     -18.2160      2.00000
    161     -18.2117      2.00000
    162     -18.2105      2.00000
    163     -18.1814      2.00000
    164     -18.1721      2.00000
    165     -18.1683      2.00000
    166     -18.1454      2.00000
    167     -18.0762      2.00000
    168     -18.0434      2.00000
    169     -17.9406      2.00000
    170     -17.9277      2.00000
    171     -17.9225      2.00000
    172     -17.8950      2.00000
    173     -17.8519      2.00000
    174     -17.8356      2.00000
    175     -17.8112      2.00000
    176     -17.7968      2.00000
    177     -17.7761      2.00000
    178     -17.7665      2.00000
    179     -17.7463      2.00000
    180     -17.7064      2.00000
    181     -17.6054      2.00000
    182     -17.5774      2.00000
    183     -17.5654      2.00000
    184     -17.5353      2.00000
    185     -17.5188      2.00000
    186     -17.5051      2.00000
    187     -17.5028      2.00000
    188     -17.4927      2.00000
    189     -17.4822      2.00000
    190     -17.4731      2.00000
    191     -17.4683      2.00000
    192     -17.4173      2.00000
    193     -16.7770      2.00000
    194     -16.7025      2.00000
    195     -16.6959      2.00000
    196     -16.6893      2.00000
    197     -16.6407      2.00000
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   1335       2.6166     -0.00000
   1336       2.6285     -0.00000
   1337       2.6505     -0.00000
   1338       2.6553     -0.00000
   1339       2.6688     -0.00000
   1340       2.6795     -0.00000
   1341       2.6912     -0.00000
   1342       2.7108     -0.00000
   1343       2.7428     -0.00000
   1344       2.7910     -0.00000
   1345       2.7996     -0.00000
   1346       2.9454     -0.00000
   1347       2.9942     -0.00000
   1348       2.9995     -0.00000
   1349       3.0184     -0.00000
   1350       3.0258     -0.00000
   1351       3.0547     -0.00000
   1352       3.0633     -0.00000
   1353       3.1040     -0.00000
   1354       3.1166     -0.00000
   1355       3.1333     -0.00000
   1356       3.1477     -0.00000
   1357       3.1669     -0.00000
   1358       3.1841     -0.00000
   1359       3.2232     -0.00000
   1360       3.2337     -0.00000
   1361       3.2787     -0.00000
   1362       3.3785     -0.00000
   1363       3.4613     -0.00000
   1364       3.5185     -0.00000
   1365       3.5867     -0.00000
   1366       3.6447     -0.00000
   1367       3.6606     -0.00000
   1368       3.7189     -0.00000
   1369       3.7545     -0.00000
   1370       3.7659     -0.00000
   1371       3.8150     -0.00000
   1372       3.8202     -0.00000
   1373       3.8501     -0.00000
   1374       3.8696      0.00000
   1375       3.8738      0.00000
   1376       3.8949      0.00000
   1377       3.9166      0.00000
   1378       3.9191      0.00000
   1379       3.9464      0.00000
   1380       3.9611      0.00000
   1381       3.9660      0.00000
   1382       3.9708      0.00000
   1383       3.9868      0.00000
   1384       4.0101      0.00000
   1385       4.0168      0.00000
   1386       4.0277      0.00000
   1387       4.0333      0.00000
   1388       4.0469      0.00000
   1389       4.0511      0.00000
   1390       4.0665      0.00000
   1391       4.0991      0.00000
   1392       4.1072      0.00000
   1393       4.1149      0.00000
   1394       4.1215      0.00000
   1395       4.1287      0.00000
   1396       4.1345      0.00000
   1397       4.1578      0.00000
   1398       4.1651      0.00000
   1399       4.1724      0.00000
   1400       4.1891      0.00000
   1401       4.2058      0.00000
   1402       4.2145      0.00000
   1403       4.2351      0.00000
   1404       4.2444      0.00000
   1405       4.2599      0.00000
   1406       4.2738      0.00000
   1407       4.2815      0.00000
   1408       4.3187      0.00000
   1409       4.3267      0.00000
   1410       4.3401      0.00000
   1411       4.3503      0.00000
   1412       4.3562      0.00000
   1413       4.3721      0.00000
   1414       4.3849      0.00000
   1415       4.3987      0.00000
   1416       4.4112      0.00000
   1417       4.4250      0.00000
   1418       4.4318      0.00000
   1419       4.4493      0.00000
   1420       4.4726      0.00000
   1421       4.4742      0.00000
   1422       4.4798      0.00000
   1423       4.5030      0.00000
   1424       4.5170      0.00000
   1425       4.5451      0.00000
   1426       4.5597      0.00000
   1427       4.5739      0.00000
   1428       4.5910      0.00000
   1429       4.5961      0.00000
   1430       4.6349      0.00000
   1431       4.6411      0.00000
   1432       4.6757      0.00000
   1433       4.6803      0.00000
   1434       4.7004      0.00000
   1435       4.7630      0.00000
   1436       4.7762      0.00000
   1437       4.8080      0.00000
   1438       4.8286      0.00000
   1439       4.8412      0.00000
   1440       4.8473      0.00000
   1441       4.8697      0.00000
   1442       4.8815      0.00000
   1443       4.9186      0.00000
   1444       4.9295      0.00000
   1445       4.9436      0.00000
   1446       4.9557      0.00000
   1447       4.9604      0.00000
   1448       4.9789      0.00000
   1449       4.9985      0.00000
   1450       5.0037      0.00000
   1451       5.0246      0.00000
   1452       5.0506      0.00000
   1453       5.0603      0.00000
   1454       5.0719      0.00000
   1455       5.0938      0.00000
   1456       5.1072      0.00000
   1457       5.1168      0.00000
   1458       5.1252      0.00000
   1459       5.1320      0.00000
   1460       5.1350      0.00000
   1461       5.1659      0.00000
   1462       5.1953      0.00000
   1463       5.2041      0.00000
   1464       5.2198      0.00000
   1465       5.2214      0.00000
   1466       5.2375      0.00000
   1467       5.2444      0.00000
   1468       5.2621      0.00000
   1469       5.2656      0.00000
   1470       5.2781      0.00000
   1471       5.2854      0.00000
   1472       5.3012      0.00000
   1473       5.3044      0.00000
   1474       5.3278      0.00000
   1475       5.3324      0.00000
   1476       5.3378      0.00000
   1477       5.3437      0.00000
   1478       5.3580      0.00000
   1479       5.3631      0.00000
   1480       5.3730      0.00000
   1481       5.3858      0.00000
   1482       5.3948      0.00000
   1483       5.4187      0.00000
   1484       5.4203      0.00000
   1485       5.4309      0.00000
   1486       5.4392      0.00000
   1487       5.4551      0.00000
   1488       5.4567      0.00000
   1489       5.4672      0.00000
   1490       5.4714      0.00000
   1491       5.4848      0.00000
   1492       5.4896      0.00000
   1493       5.4973      0.00000
   1494       5.4975      0.00000
   1495       5.5041      0.00000
   1496       5.5224      0.00000
   1497       5.5291      0.00000
   1498       5.5311      0.00000
   1499       5.5406      0.00000
   1500       5.5519      0.00000
   1501       5.5649      0.00000
   1502       5.5712      0.00000
   1503       5.5912      0.00000
   1504       5.5970      0.00000
   1505       5.6087      0.00000
   1506       5.6146      0.00000
   1507       5.6282      0.00000
   1508       5.6394      0.00000
   1509       5.6471      0.00000
   1510       5.6559      0.00000
   1511       5.6623      0.00000
   1512       5.6726      0.00000
   1513       5.6815      0.00000
   1514       5.6870      0.00000
   1515       5.7050      0.00000
   1516       5.7158      0.00000
   1517       5.7282      0.00000
   1518       5.7368      0.00000
   1519       5.7446      0.00000
   1520       5.7604      0.00000
   1521       5.7727      0.00000
   1522       5.7815      0.00000
   1523       5.7894      0.00000
   1524       5.7949      0.00000
   1525       5.8100      0.00000
   1526       5.8225      0.00000
   1527       5.8252      0.00000
   1528       5.8318      0.00000
   1529       5.8406      0.00000
   1530       5.8634      0.00000
   1531       5.8783      0.00000
   1532       5.8811      0.00000
   1533       5.8896      0.00000
   1534       5.9025      0.00000
   1535       5.9145      0.00000
   1536       5.9181      0.00000
   1537       5.9246      0.00000
   1538       5.9284      0.00000
   1539       5.9366      0.00000
   1540       5.9476      0.00000
   1541       5.9638      0.00000
   1542       5.9664      0.00000
   1543       5.9831      0.00000
   1544       5.9868      0.00000
   1545       6.0004      0.00000
   1546       6.0057      0.00000
   1547       6.0194      0.00000
   1548       6.0268      0.00000
   1549       6.0287      0.00000
   1550       6.0402      0.00000
   1551       6.0510      0.00000
   1552       6.0552      0.00000
   1553       6.0629      0.00000
   1554       6.0744      0.00000
   1555       6.0816      0.00000
   1556       6.0914      0.00000
   1557       6.1106      0.00000
   1558       6.1163      0.00000
   1559       6.1264      0.00000
   1560       6.1400      0.00000
   1561       6.1463      0.00000
   1562       6.1525      0.00000
   1563       6.1606      0.00000
   1564       6.1671      0.00000
   1565       6.1784      0.00000
   1566       6.1859      0.00000
   1567       6.1919      0.00000
   1568       6.2020      0.00000
   1569       6.2079      0.00000
   1570       6.2209      0.00000
   1571       6.2239      0.00000
   1572       6.2324      0.00000
   1573       6.2382      0.00000
   1574       6.2460      0.00000
   1575       6.2492      0.00000
   1576       6.2722      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.089  13.414  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.414  17.833  -0.001   0.002  -0.000   0.003  -0.006   0.000
 -0.001  -0.001  -4.234   0.003   0.001   8.282  -0.005  -0.001
  0.001   0.002   0.003  -4.234   0.001  -0.005   8.280  -0.001
 -0.000  -0.000   0.001   0.001  -4.227  -0.001  -0.001   8.272
  0.002   0.003   8.282  -0.005  -0.001 -18.328   0.007   0.002
 -0.004  -0.006  -0.005   8.280  -0.001   0.007 -18.323  -0.000
  0.000   0.000  -0.001  -0.001   8.272   0.002  -0.000 -18.317
 total augmentation occupancy for first ion, spin component:           1
  8.459  -3.810   0.151   0.144  -0.034   0.018   0.027  -0.006
 -3.810   1.789  -0.074  -0.099   0.019  -0.007  -0.016   0.003
  0.151  -0.074   1.784  -0.064  -0.042   0.169  -0.012  -0.008
  0.144  -0.099  -0.064   1.895  -0.084  -0.012   0.177  -0.011
 -0.034   0.019  -0.042  -0.084   1.225  -0.008  -0.011   0.081
  0.018  -0.007   0.169  -0.012  -0.008   0.018  -0.002  -0.001
  0.027  -0.016  -0.012   0.177  -0.011  -0.002   0.018  -0.001
 -0.006   0.003  -0.008  -0.011   0.081  -0.001  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -51159.35649 94697.60495 24602.84132-11098.59033  6675.60795 20525.19678
  Hartree  4479.37968121563.22645 62612.60533-11514.44698  4632.37149 14832.14099
  E(xc)  -10734.68133-10587.59380-10630.27764     2.86614     8.10439    32.56138
  Local   13244.76650************************ 22610.16831-11329.03442-34769.56328
  n-local -5845.28850 -5977.85142 -6032.55010     3.40466    17.33134   -63.41391
  augment  1495.20220  1534.95314  1486.97942     4.67991    12.25710    -3.40143
  Kinetic 45515.27134 43221.89054 43664.95315   -27.68580   -73.92181  -559.98860
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total      -96.8478888   -412.3847377   -151.6125382    -19.6040879    -57.2839673     -6.4680783
  in kB      -16.1501607    -68.7684559    -25.2826043     -3.2691386     -9.5525601     -1.0786038
  external PRESSURE =     -36.7337403 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.235E+03 -.115E+03 0.251E+03   0.235E+03 0.115E+03 -.253E+03   -.506E-01 -.658E+00 0.160E+01   0.990E-03 -.391E-03 -.198E-03
   -.193E+03 -.139E+03 0.611E+02   0.192E+03 0.141E+03 -.608E+02   0.451E+00 -.109E+01 -.379E+00   0.213E-03 -.477E-03 -.199E-03
   -.166E+03 -.125E+03 0.352E+01   0.166E+03 0.126E+03 -.191E+01   0.202E+00 -.115E+01 -.176E+01   0.500E-03 -.607E-03 -.279E-03
   -.221E+03 -.989E+02 0.341E+03   0.221E+03 0.989E+02 -.343E+03   -.270E+00 -.134E+00 0.258E+01   0.169E-02 -.389E-03 -.961E-03
   -.167E+03 -.148E+03 0.302E+03   0.167E+03 0.149E+03 -.303E+03   0.263E+00 -.905E+00 0.101E+01   0.133E-02 -.167E-03 -.988E-03
   -.152E+03 -.111E+03 0.167E+03   0.152E+03 0.111E+03 -.167E+03   0.362E-01 -.779E-01 -.274E-01   0.890E-03 -.407E-03 -.185E-03
   -.241E+03 -.131E+03 0.184E+03   0.240E+03 0.135E+03 -.185E+03   0.591E+00 -.461E+01 0.876E+00   0.688E-03 0.159E-03 0.592E-05
   -.184E+03 -.115E+03 0.324E+02   0.184E+03 0.119E+03 -.341E+02   -.515E+00 -.405E+01 0.198E+01   -.723E-03 -.537E-03 0.490E-03
   -.110E+03 0.495E+01 0.195E+03   0.110E+03 -.498E+01 -.195E+03   0.911E-01 -.361E-01 0.848E-01   0.876E-03 0.907E-04 -.411E-03
   -.851E+02 0.869E+02 0.622E+02   0.846E+02 -.883E+02 -.611E+02   0.426E+00 0.151E+01 -.128E+01   0.910E-03 -.234E-03 -.446E-03
   -.945E+02 0.106E+03 0.138E+03   0.943E+02 -.107E+03 -.138E+03   0.194E+00 0.919E+00 -.375E-01   0.789E-03 -.205E-03 -.111E-02
   -.109E+03 -.735E+00 0.332E+03   0.109E+03 0.399E+00 -.333E+03   -.456E-01 0.420E+00 0.125E+01   0.100E-02 0.565E-03 -.114E-02
   -.115E+03 -.418E+02 0.362E+03   0.115E+03 0.428E+02 -.364E+03   -.141E+00 -.762E+00 0.239E+01   0.104E-02 0.929E-03 -.131E-02
   -.118E+03 0.224E+02 0.307E+03   0.118E+03 -.226E+02 -.309E+03   -.698E-01 0.774E-01 0.169E+01   0.929E-03 0.736E-03 -.147E-02
   -.113E+03 0.112E+03 0.270E+03   0.113E+03 -.116E+03 -.272E+03   0.448E+00 0.409E+01 0.220E+01   0.113E-02 0.160E-02 -.257E-02
   -.922E+02 0.117E+03 0.108E+03   0.922E+02 -.120E+03 -.112E+03   -.132E-01 0.293E+01 0.335E+01   0.481E-03 -.250E-06 0.634E-05
   -.754E+02 0.113E+03 0.563E+02   0.757E+02 -.108E+03 -.521E+02   -.269E+00 -.469E+01 -.412E+01   0.276E-03 -.880E-03 -.132E-02
   -.989E+01 0.206E+03 -.151E+03   0.934E+01 -.207E+03 0.153E+03   0.577E+00 0.175E+01 -.202E+01   0.199E-04 -.156E-02 0.509E-03
   0.272E+02 0.152E+03 -.200E+03   -.274E+02 -.152E+03 0.202E+03   0.307E+00 0.107E+00 -.201E+01   -.265E-04 -.158E-02 0.129E-02
   -.725E+02 0.114E+03 0.182E+03   0.737E+02 -.113E+03 -.185E+03   -.112E+01 -.844E+00 0.305E+01   0.238E-03 -.678E-03 -.168E-02
   -.373E+01 0.707E+02 0.305E+00   0.258E+01 -.723E+02 0.809E+00   0.122E+01 0.147E+01 -.136E+01   -.347E-03 -.123E-02 -.151E-02
   0.781E+00 0.137E+02 -.133E+03   -.746E+00 -.138E+02 0.134E+03   -.692E-01 0.261E+00 -.793E+00   -.263E-03 -.934E-03 0.243E-03
   -.393E+02 -.334E+02 -.178E+03   0.396E+02 0.338E+02 0.177E+03   -.314E+00 -.309E+00 0.800E+00   -.353E-03 -.669E-03 0.134E-02
   -.485E+02 -.697E+02 -.232E+03   0.498E+02 0.713E+02 0.231E+03   -.130E+01 -.152E+01 0.123E+01   -.435E-03 -.769E-03 0.156E-02
   -.272E+02 -.157E+03 -.342E+03   0.267E+02 0.158E+03 0.344E+03   0.516E+00 -.446E+00 -.182E+01   -.930E-05 -.301E-03 0.113E-02
   -.109E+03 -.165E+03 -.161E+03   0.110E+03 0.166E+03 0.159E+03   -.913E+00 -.301E+00 0.192E+01   -.143E-03 0.105E-03 0.173E-02
   -.949E+02 -.281E+03 -.194E+03   0.952E+02 0.282E+03 0.194E+03   -.392E+00 -.854E+00 0.252E+00   -.245E-04 0.163E-03 0.175E-02
   -.447E+02 -.264E+03 -.295E+03   0.446E+02 0.265E+03 0.296E+03   0.175E+00 -.121E+01 -.559E+00   0.105E-03 0.159E-03 0.829E-03
   -.509E+02 -.195E+02 -.223E+03   0.570E+02 0.272E+02 0.218E+03   -.603E+01 -.769E+01 0.500E+01   0.110E-03 -.651E-03 0.102E-02
   -.283E+01 0.529E+02 0.261E+02   -.219E+01 -.615E+02 -.213E+02   0.507E+01 0.858E+01 -.473E+01   -.213E-02 -.212E-03 -.277E-02
   -.213E+03 -.277E+02 -.438E+02   0.213E+03 0.278E+02 0.455E+02   -.339E+00 -.184E+00 -.162E+01   -.126E-02 -.114E-02 0.742E-03
   -.145E+03 -.150E+03 0.136E+03   0.145E+03 0.151E+03 -.135E+03   -.466E-01 -.121E+01 -.201E+00   -.149E-02 -.142E-02 0.677E-03
   -.154E+03 -.155E+03 0.185E+03   0.154E+03 0.157E+03 -.186E+03   0.224E+00 -.163E+01 0.115E+01   -.165E-02 -.949E-03 0.442E-03
   -.310E+03 0.760E+01 -.164E+03   0.310E+03 -.932E+01 0.167E+03   0.160E+00 0.176E+01 -.289E+01   -.532E-03 -.117E-02 0.451E-03
   -.298E+03 -.675E+02 -.186E+03   0.298E+03 0.676E+02 0.187E+03   0.230E-01 -.171E+00 -.124E+01   -.162E-03 -.135E-02 0.462E-03
   -.220E+03 -.712E+02 0.148E+01   0.220E+03 0.711E+02 -.153E+01   0.287E+00 0.643E-01 0.354E-01   -.974E-03 -.120E-02 0.674E-03
   -.123E+03 -.597E+02 -.563E+01   0.124E+03 0.646E+02 0.757E+01   -.946E+00 -.409E+01 -.259E+01   -.178E-02 -.178E-02 0.767E-03
   -.752E+02 -.145E+03 0.115E+03   0.756E+02 0.148E+03 -.111E+03   -.308E+00 -.324E+01 -.363E+01   -.148E-02 -.185E-02 0.268E-03
   -.195E+03 0.471E+02 -.568E+01   0.195E+03 -.473E+02 0.561E+01   0.129E+00 0.189E+00 0.737E-01   -.924E-03 -.101E-02 0.705E-03
   -.110E+03 0.555E+02 0.201E+03   0.110E+03 -.566E+02 -.203E+03   0.447E+00 0.106E+01 0.191E+01   -.125E-02 -.611E-03 0.882E-04
   -.828E+02 0.804E+02 0.110E+03   0.829E+02 -.818E+02 -.110E+03   -.211E+00 0.140E+01 0.254E+00   -.772E-03 -.130E-03 0.548E-03
   -.229E+03 0.892E+02 -.226E+03   0.230E+03 -.902E+02 0.227E+03   -.174E+00 0.100E+01 -.867E+00   -.189E-03 -.610E-03 0.683E-03
   -.188E+03 0.435E+02 -.301E+03   0.188E+03 -.437E+02 0.303E+03   0.268E+00 0.283E+00 -.226E+01   -.494E-04 -.568E-03 0.458E-03
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   0.140E+03 0.396E+03 0.334E+03   -.177E+03 -.427E+03 -.319E+03   0.369E+02 0.311E+02 -.153E+02   -.519E-02 -.233E-02 -.821E-02
 -----------------------------------------------------------------------------------------------
   0.139E+02 0.425E+01 -.136E+02   0.261E-10 -.205E-11 0.114E-12   -.140E+02 -.418E+01 0.135E+02   0.787E-01 -.500E-01 0.772E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.06551      3.16414      1.34728         0.025374      0.180743      0.122352
     12.84675      3.57606      2.66186         0.122003      0.260274     -0.124460
     12.83366      4.93467      3.01450        -0.054152     -0.021991     -0.156763
     13.10186      4.09648      0.31422         0.039091     -0.136778      0.078581
     12.97654      5.44539      0.65140         0.112023     -0.126731     -0.013794
     12.94105      5.91676      1.98909        -0.078450      0.057929     -0.086370
     13.22869      1.69210      1.33627         0.006175     -0.413128     -0.272447
     12.66756      2.34955      3.49141        -0.104571     -0.039110      0.255052
     13.05116      7.40136      2.23412        -0.037625     -0.067921      0.043090
     13.05800      7.98687      3.52631        -0.056324      0.145495     -0.113107
     13.31060      9.35994      3.65639        -0.035130     -0.122414     -0.046679
     13.21561      8.28521      1.13461         0.041884      0.084525      0.153448
     13.43937      9.65616      1.26914        -0.024828      0.261602      0.174017
     13.51042     10.19134      2.55883         0.042296     -0.052396      0.168141
     13.73710     11.58640      3.05637        -0.131620      0.075128      0.111809
     13.39003     10.18752      4.89890        -0.021524      0.027160     -0.403639
     13.72350     12.66250      5.41390         0.081902     -0.115756      0.130970
     13.45099     12.54386      6.78731         0.021336     -0.120020      0.155569
     13.46351     13.66000      7.63257         0.135021     -0.250113     -0.288427
     14.08344     13.94905      4.99168        -0.002135      0.097127     -0.050714
     14.10280     15.06526      5.85747         0.062547     -0.123199     -0.249470
     13.79297     14.97579      7.25524        -0.034612      0.148173      0.232671
     13.86416     16.09186      8.31059         0.054675      0.059854      0.182264
     13.28101     16.07687      9.64005        -0.014096      0.107276      0.007330
     13.36141     17.20193     10.48192        -0.010489      0.111158      0.033414
     14.54621     17.30814      8.03392         0.061491     -0.023136      0.173116
     14.54079     18.44951      8.84680        -0.054964     -0.138807     -0.079917
     13.92612     18.40986     10.09175         0.110414      0.018526     -0.157476
     12.47367     14.97450     10.30351         0.015548     -0.024834      0.015058
     14.68046     16.28397      5.17465         0.043339     -0.014290      0.076685
      9.75683      3.85263      4.77045         0.032345     -0.024152      0.089212
      9.73648      4.77819      3.73285        -0.051587      0.188951      0.003312
      9.82668      6.15810      3.99670         0.011257     -0.002449      0.085767
      9.89016      4.25736      6.09483         0.035681      0.035229     -0.208912
      9.94665      5.62183      6.36321         0.061974     -0.055900     -0.114120
      9.92926      6.61231      5.34475        -0.011491     -0.083813     -0.013409
      9.51134      2.48841      4.23834         0.279761      0.773477     -0.657964
      9.59548      4.00971      2.44627         0.074831     -0.079553     -0.208116
     10.00639      8.06395      5.73605         0.043965     -0.021062      0.008538
     10.08484      9.10701      4.77815         0.125507      0.009044      0.148011
     10.21280     10.42509      5.21453        -0.094431     -0.031093     -0.121323
      9.98246      8.45093      7.10461        -0.065600      0.042879     -0.100693
     10.03777      9.78454      7.52777         0.097643      0.057913      0.015043
     10.19196     10.77299      6.56313        -0.010204      0.061145     -0.234123
     10.27429     12.25471      6.66550         0.024488      0.460095      0.488136
     10.32639     11.67978      4.41851         0.120123     -0.065186     -0.359667
     10.77132     14.12225      4.94888         0.055297     -0.094281     -0.138837
     11.27365     14.43753      3.67994         0.012189      0.144523     -0.050043
     11.67414     15.74612      3.37940        -0.115508     -0.100012     -0.007967
     10.65610     15.20279      5.83160        -0.151403     -0.007009     -0.073933
     11.01275     16.53071      5.50872        -0.008033     -0.071889     -0.078479
     11.56708     16.88306      4.21021         0.013902      0.167955     -0.076453
     12.01656     18.28651      3.69707         0.018989     -0.125780      0.234974
     12.58168     18.69106      2.42320         0.099281      0.110104      0.095421
     12.89300     20.04055      2.15596         0.028608      0.019365     -0.016441
     11.91651     19.38477      4.57884         0.059049      0.148311     -0.112592
     12.19403     20.72889      4.30870        -0.045993     -0.166374      0.017606
     12.64379     21.09921      3.03662         0.034037      0.132885      0.102283
     13.01454     17.82417      1.24754        -0.050356     -0.399274     -0.168403
     10.79584     17.44541      6.70674        -0.004246      0.131080      0.216388
     10.40347      7.07898     14.66253         0.040065      0.536701      0.150432
     10.29767      7.48802     15.99538         0.163035      0.433670     -0.267728
     10.33802      8.85705     16.34883         0.010648     -0.125605     -0.048547
     10.41256      8.04342     13.64388         0.187885     -0.454236      0.102045
     10.35318      9.39564     13.99114         0.135094      0.037679      0.146356
     10.38483      9.86568     15.33721        -0.002236      0.152644     -0.064449
     10.48910      5.59640     14.64058         0.459105     -1.079731     -1.502175
     10.13738      6.24125     16.81346        -0.005896      0.109078      1.374474
     10.47151     11.38205     15.59323         0.044027     -0.137742      0.044753
     10.50166     11.98557     16.88891         0.035639      0.069448     -0.096481
     10.64701     13.38475     17.01436         0.011863     -0.071220     -0.064906
     10.56489     12.28066     14.48745         0.053961     -0.021661      0.176432
     10.71074     13.66749     14.61864        -0.034920      0.131492      0.226458
     10.75819     14.22045     15.90134         0.062932     -0.090308      0.165986
     10.90101     15.64618     16.36216        -0.085245      0.017913      0.066683
     10.68412     14.26300     18.24012        -0.050170      0.067736     -0.212525
     10.71317     16.81123     18.67418         0.009325     -0.237041     -0.101993
     10.11495     16.75255     19.93483         0.042237      0.171753      0.138192
      9.93546     17.91200     20.70827         0.085750     -0.129484     -0.223588
     11.16856     18.09159     18.30682         0.044082      0.017054     -0.042557
     11.03638     19.25197     19.11130         0.183560     -0.027941     -0.094698
     10.39702     19.21590     20.42533        -0.119280     -0.029729     -0.056461
     10.15518     20.35204      0.20562        -0.030150     -0.133099      0.002296
      9.52294     20.30466      1.51873         0.037564     -0.007565     -0.029780
      9.31582      0.19632      2.31042        -0.074428     -0.071866     -0.074516
     10.55064      0.41082     21.16516        -0.077007      0.204747     -0.176855
     10.26912      1.57010      0.64153         0.077695      0.074603     -0.007881
      9.67668      1.49135      1.90853        -0.029728      0.076011     -0.168376
      8.87184     19.11050      2.19108         0.084046     -0.160080     -0.266469
     11.72565     20.43891     18.41544         0.158696      0.109989     -0.001296
      7.23714      7.64883     17.43863        -0.053389      0.054644     -0.073576
      7.17134      8.58592     16.40600        -0.161166      0.018477      0.116374
      7.14174      9.96477     16.67829         0.076562     -0.049050      0.057949
      7.35945      8.05156     18.76298         0.100988      0.064206     -0.046564
      7.38243      9.42363     19.02989        -0.033156     -0.089654     -0.168452
      7.25655     10.42077     18.02399         0.043907      0.021999      0.026911
      6.94707      6.30235     16.88125         0.115316     -0.301545      0.021445
      7.02360      7.81204     15.12243         0.110396      0.077131     -0.443324
      7.23342     11.88264     18.43771         0.006924     -0.123809     -0.030230
      7.23320     12.96728     17.51637         0.078139      0.067310      0.125287
      7.22441     14.28633     17.99723        -0.018761     -0.149583     -0.034781
      7.25024     12.22125     19.81880        -0.007384      0.018463     -0.108776
      7.26260     13.53508     20.28895         0.084324      0.168860     -0.092918
      7.22019     14.57082     19.36142        -0.001722     -0.002265     -0.145286
      7.18703     16.04396     19.54483        -0.062506      0.717460      0.699879
      7.28809     15.59349     17.27087         0.073017      0.103434     -0.489181
      7.53617     18.04650     17.97046         0.124376     -0.062094     -0.046014
      8.27748     18.41786     16.84938         0.038098      0.104273     -0.065215
      8.61944     19.75347     16.63187        -0.067422     -0.051145      0.091089
      7.13591     19.10958     18.80061        -0.140909     -0.144647     -0.115459
      7.43116     20.47684     18.54506         0.039280     -0.113480     -0.115712
      8.23541     20.87650     17.39060         0.168112      0.155019     -0.070962
      8.76661      1.01605     16.91349        -0.019610     -0.084121     -0.110213
      9.41324      1.37511     15.65031         0.185029      0.458363      0.282429
      9.86139      2.70560     15.40306        -0.154855     -0.116811     -0.072650
      8.66659      2.13390     17.76778         0.084309     -0.084027      0.083965
      9.15431      3.42943     17.54043         0.088182     -0.112876     -0.147867
      9.73387      3.77196     16.30644         0.166025     -0.299484      0.012913
      9.86262      0.51920     14.46073         0.465512     -0.342660     -0.050406
      6.76495      0.11591     19.59048        -0.063112      0.094558     -0.052254
      6.93796     10.86575      6.12968         0.009023      0.017462      0.046741
      6.81634     11.29898      7.44455         0.046139      0.182083     -0.025098
      6.87540     12.66966      7.77728         0.025843     -0.091673     -0.076539
      7.18171     11.78568      5.10717        -0.064909     -0.134208      0.117439
      7.26417     13.14089      5.44224        -0.090273     -0.077823      0.093512
      7.08638     13.64621      6.76104         0.024130     -0.044544     -0.007567
      6.93113      9.37282      6.10167        -0.098233      0.090687      0.341690
      6.76959     10.06355      8.30438        -0.002880      0.030484      0.062864
      7.18447     15.14791      7.00311         0.043187     -0.114555     -0.054967
      7.09301     15.77562      8.27548         0.056838      0.098439     -0.063988
      7.23559     17.17519      8.38112        -0.054535     -0.110555     -0.066046
      7.44028     16.00764      5.89642        -0.110556     -0.026015      0.241143
      7.49793     17.39528      5.99466        -0.051203      0.115111      0.239986
      7.38375     17.97991      7.25806        -0.045549      0.072365      0.078598
      7.55751     19.40985      7.68480        -0.088307     -0.456013      0.366531
      7.39510     18.05782      9.58794         0.007103      0.060723     -0.375463
      7.62868     20.59340      9.98661         0.010158     -0.161107     -0.001864
      7.17402     20.57327     11.31125         0.087544      0.039667     -0.011545
      7.14260      0.48141     12.07887        -0.000060     -0.196327     -0.182256
      8.16138      0.57676      9.58255         0.054107     -0.046628      0.075039
      8.22993      1.72437     10.42217         0.113938     -0.169114     -0.261238
      7.64960      1.75064     11.75031        -0.029231      0.129332      0.161987
      7.49319      2.90800     12.78305        -0.177707     -0.107808      0.408678
      6.86663      2.85305     14.11970         0.396598      0.007398     -0.321193
      6.69884      3.99920     14.91492         0.103521      0.155237     -0.141765
      7.93574      4.22503     12.50283        -0.267583     -0.060444      0.180366
      7.73028      5.37454     13.28733         0.138938     -0.012375      0.008659
      7.12246      5.28863     14.54677         0.040927      0.201074     -0.095454
      6.26714      1.65670     14.85971         0.219256     -0.381669     -0.333591
      9.11841      2.80038      9.81128         0.074653     -0.229803      0.077808
      4.20976     11.49973     10.65274        -0.002268     -0.013281     -0.164478
      3.95048     12.35868      9.59056         0.034255      0.126042      0.028769
      3.98502     13.74903      9.74038         0.138962     -0.136639      0.014854
      4.54691     12.02471     11.89916         0.018054     -0.108854     -0.176498
      4.56704     13.41427     12.06103         0.056696      0.015416     -0.204899
      4.29973     14.32229     10.99786         0.079081     -0.028225     -0.134458
      3.86963     10.10735     10.23563        -0.033359     -0.106364     -0.140738
      3.50092     11.53792      8.42659         0.054065      0.148857      0.048286
      4.34437     15.81663     11.20526         0.129200      0.085977      0.042209
      4.05062     16.77494     10.19075         0.038563     -0.001701     -0.102403
      4.13225     18.14582     10.48147        -0.055958     -0.000253     -0.017519
      4.75976     16.32919     12.46252         0.018297     -0.075526     -0.008062
      4.79766     17.68827     12.76119        -0.002476      0.205240     -0.052487
      4.43685     18.58982     11.76308        -0.075379      0.004243      0.010221
      4.30432     20.06443     11.79967         0.023733      0.183457      0.014313
      4.03315     19.36921      9.61016        -0.105125      0.169106     -1.274629
      4.35769      0.65100     10.06712         0.042613     -0.172071     -0.196203
      4.79168      0.99393      8.78065         0.063791     -0.054944      0.178644
      5.27217      2.27845      8.52426        -0.054530     -0.221059      0.096139
      4.24163      1.74138     10.94094         0.082001      0.174636     -0.020340
      4.73852      3.05303     10.67251         0.003467      0.034574     -0.038918
      5.37692      3.37869      9.41291         0.111934      0.177752     -0.197794
      5.98848      4.74590      8.87563         0.009756     -0.295750      0.235088
      6.48387      5.03628      7.54864         0.151679      0.197611     -0.062963
      6.81906      6.35217      7.12330         0.016045     -0.050336     -0.044241
      5.97320      5.91376      9.66251         0.198744      0.391207     -0.275306
      6.24971      7.22851      9.23591        -0.066550     -0.375605     -0.012380
      6.63600      7.50657      7.91492        -0.048302      0.253923      0.165696
      6.64120      3.99880      6.44410        -0.217973     -0.042039      0.075049
      4.31537      3.93727     11.85565        -0.099795     -0.336610      0.161477
      0.93708     14.19844      0.90328        -0.090173     -0.046262      0.042396
      1.57073     14.63515      2.06796        -0.226742      0.080735     -0.241716
      1.59454     16.02430      2.37846         0.049719     -0.235514     -0.014163
      0.48744     15.09485     21.19187         0.019570      0.051630      0.150097
      0.59580     16.45733      0.21191        -0.051593     -0.230870      0.195122
      1.06227     16.98221      1.45157        -0.131416     -0.118968     -0.065271
      0.85157     12.71604      0.90217         0.212857      0.140955     -0.017226
      2.17537     13.36972      2.69720        -0.351158      0.224392     -0.358134
      0.95121     18.49875      1.64249         0.126185     -0.105457      0.105867
      1.31534     19.22794      2.81316        -0.018196      0.179685     -0.136154
      1.17922     20.63435      2.82255        -0.056353     -0.192829     -0.082878
      0.46544     19.27841      0.55369        -0.037138      0.090357      0.045429
      0.28077     20.66075      0.58873        -0.067193      0.031636      0.065453
      0.62399      0.07616      1.75567         0.010199      0.024078     -0.136662
      0.55933      1.53443      2.06847         0.381413     -0.283337      0.409904
      1.62118      0.39685      3.82396        -0.154531      0.025688     -0.197423
      1.36800      2.94010      4.06380        -0.072875     -0.028471      0.042207
      1.96036      2.98120      5.33069        -0.083292      0.004189     -0.165686
      2.08385      4.18861      6.00680        -0.036782     -0.085787     -0.145576
      0.86049      4.17765      3.61784        -0.054511     -0.041891     -0.269590
      0.97027      5.38891      4.34626        -0.137909     -0.137893     -0.365932
      1.67899      5.48202      5.59839         0.107595     -0.033626      0.067752
      2.05532      6.71044      6.46222        -0.082891     -0.215687      0.102205
      2.53042      6.66908      7.81861        -0.053988      0.298186      0.100572
      2.95880      7.79629      8.54238         0.045198     -0.033164     -0.054998
      2.02825      8.04770      5.99915         0.205416      0.273011      0.079161
      2.50439      9.18299      6.69357        -0.048289     -0.079219      0.072483
      3.01144      9.08210      8.01146        -0.060996      0.119066     -0.211168
      2.81021      5.44205      8.61990        -0.120514     -0.267418      0.073734
      0.19068      6.49995      3.65858         0.159033      0.050504     -0.034912
      4.66155     14.08006      0.68853         0.069084      0.204089      0.094935
      4.06144     14.97724     -0.19980         0.189257      0.119390      0.300058
      4.08673     16.37741      0.05330        -0.015480     -0.074263      0.098532
      5.32558     14.55940      1.82118        -0.068876     -0.045587     -0.082226
      5.31668     15.93319      2.07899         0.006563     -0.031888     -0.097911
      4.68768     16.90361      1.25079        -0.089205     -0.031677     -0.058774
      4.49575     12.67985      0.19785         0.056630     -0.179190      0.229205
      3.49575     14.11993     19.94007        -0.344621      0.441967     -0.235791
      4.73240     18.38118      1.71886        -0.120911     -0.090655     -0.183933
      4.15463     19.50864      1.05457         0.047182      0.025683      0.052844
      4.33111     20.81737      1.57212         0.035376     -0.051785      0.103420
      5.42594     18.68132      2.92418        -0.085361      0.024260     -0.057347
      5.61389     19.96708      3.43175        -0.088898      0.264810     -0.070616
      5.06757     21.04498      2.73006        -0.020887      0.044612      0.029178
      5.15428      1.26407      2.99684        -0.440067     -0.306942     -0.545370
      3.86296      0.91559      1.09004        -0.051957     -0.053754     -0.117333
      4.02369      3.39179      1.95736         0.254365     -0.259532      0.140149
      3.10951      3.98128      1.05932         0.032314     -0.116723     -0.062345
      2.86577      5.36523      1.02580         0.078296      0.343457     -0.067843
      4.56749      4.31839      2.87292        -0.026260      0.397038     -0.088102
      4.27048      5.71966      2.83802        -0.108332     -0.016110     -0.189001
      3.46194      6.37503      1.84512        -0.210098      0.058187     -0.167985
      3.12860      7.94776      1.71049        -0.298797     -0.210884     -0.187381
      2.04008      8.53244      0.94593        -0.202691      0.085375      0.257786
      1.65191      9.88415      1.06051        -0.004750     -0.027617     -0.051391
      3.78150      8.99287      2.43570         0.252741     -0.113220     -0.074365
      3.35160     10.32906      2.60783         0.050603      0.125011      0.277237
      2.23113     10.82776      1.92149         0.070531      0.106341     -0.065291
      1.04519      7.80958      0.05134         0.283821     -0.059372     -0.286289
      4.91086      6.48451      3.95744        -0.043486      0.117020     -0.270681
     18.06525     17.34384     13.66035         0.139242      0.058906      0.210857
     19.08692     17.80774     14.48940        -0.036135      0.222486      0.102805
     19.35536     19.17855     14.63597        -0.156956     -0.064317     -0.076177
     17.33610     18.24458     12.87970         0.076747     -0.132087      0.077302
     17.63818     19.60841     12.98576        -0.015289     -0.033553      0.181752
     18.59327     20.13260     13.90281         0.005340     -0.060458     -0.003424
     18.00167     15.85839     13.77786        -0.232419     -0.489701     -0.193971
     19.75668     16.61719     15.11530        -0.048512      0.016077     -0.185462
     18.71944      0.36989     14.11824        -0.076923     -0.170982      0.000104
     19.67487      0.94624     14.99947        -0.148378      0.134176     -0.010243
     19.62769      2.32215     15.26873        -0.043767     -0.084588     -0.075612
     17.79490      1.25637     13.50007         0.118791     -0.086306      0.125835
     17.78201      2.63045     13.73576         0.176751      0.214866      0.140247
     18.70790      3.15530     14.63697         0.100824      0.054745      0.077909
     18.93622      4.55965     15.09070         0.033856      0.257395      0.059907
     20.41820      3.16226     16.22973         0.089511     -0.078221      0.207202
     20.62560      5.68403     16.67390         0.205699     -0.273149      0.113037
      0.67700      5.64912     17.15789        -0.129602     -0.144852     -0.091141
      1.28441      6.80353     17.64589        -0.572874      0.147612     -0.134829
     19.97083      6.90305     16.87869        -0.543206     -0.133956     -0.085316
     20.55262      8.04735     17.45914         0.467782      0.217142      0.233382
      0.70334      8.07453     17.83881        -0.074853      0.103909     -0.094842
      1.59059      9.22856     18.43693        -0.270338      0.071889     -0.031921
      2.94140      9.15901     18.95740         0.264042      0.592812      0.316415
      3.59723     10.30942     19.52252         0.052317     -0.224854     -0.139157
      1.06617     10.54280     18.58351         0.165069     -0.099692     -0.176943
      1.72749     11.65941     19.12504        -0.586291     -0.129027     -0.126160
      3.01368     11.57874     19.64538         0.407864      0.051290      0.022630
      4.04010      8.08495     18.88891        -0.364181     -0.449704     -0.205209
     19.51120      9.12887     17.74433         0.045834     -0.153937     -0.120159
      1.94132     18.21047     14.13261        -0.109650      0.109212     -0.287249
      1.21636     19.13353     13.37412        -0.038446      0.288596      0.028880
      1.29302     20.51215     13.62556         0.129528      0.057221      0.202689
      2.82853     18.65413     15.11393        -0.222410     -0.124335     -0.037600
      2.90827     20.02798     15.37462        -0.157814     -0.003770     -0.116739
      2.13580     21.00132     14.67526        -0.214566     -0.065228     -0.012602
      1.62853     16.84064     13.64057        -0.127148     -0.437837      0.132101
      0.44869     18.37450     12.32463         0.107078     -0.118148      0.207785
      2.26184      1.21643     15.00551        -0.006765     -0.098450      0.197698
      1.67826      2.23346     14.20623        -0.034425     -0.100695      0.039507
      1.92836      3.57733     14.49756         0.071809     -0.108541     -0.055775
      3.01847      1.65830     16.13165        -0.042954     -0.115646     -0.195024
      3.37280      2.99571     16.33323        -0.011457      0.379442     -0.167414
      2.85248      3.96248     15.46863        -0.078603     -0.104324     -0.083431
      3.10796      5.43239     15.28951        -0.905206     -0.617910     -0.297384
      1.39049      4.80238     13.86021        -1.044902      0.392161     -1.205821
      1.61328      7.30272     14.36963        -0.294871     -0.190346     -0.085819
      0.31169      7.58218     13.94574        -0.127408      0.026968     -0.043092
     21.01940      8.85734     14.08628         0.058631     -0.066686     -0.012007
      2.33914      8.41916     14.81869        -0.096690      0.009132     -0.101672
      1.79226      9.72223     14.93991         0.082241      0.170641     -0.111815
      0.40543     10.02198     14.56078         0.087225      0.101907     -0.044276
     20.88246     11.37593     14.55500        -0.013792     -0.153356      0.118753
     19.50457     11.66533     14.15583        -0.090202     -0.076408      0.051382
     18.96312     12.96949     14.22309         0.088411      0.020286      0.180138
      0.28150     12.55348     14.96876        -0.019859      0.046466      0.010217
     -0.25975     13.84321     15.06374         0.120046     -0.064287      0.082851
     19.68063     14.09475     14.66006         0.093934      0.255497      0.037403
     18.44133     10.68179     13.65079        -0.044734     -0.262206     -0.070425
      2.90294     10.69474     15.38868         0.035595      0.008621      0.072106
     16.15971      0.42136      5.23483         0.058435     -0.003042      0.030661
     16.87551      0.82993      6.35507         0.038431      0.233747     -0.041020
     16.92093      2.18791      6.73735        -0.093405     -0.093024     -0.045619
     15.43044      1.33466      4.49290         0.172992     -0.047982      0.032230
     15.48652      2.67780      4.85983         0.064364     -0.044504      0.007128
     16.22669      3.16622      5.96062         0.005290     -0.035239      0.039488
     16.43338     20.24999      4.95039        -0.029998     -0.198580     -0.253996
     17.57986     20.86845      6.87644         0.160867      0.012076      0.172813
     16.24017      4.66658      6.20377        -0.016309     -0.083857      0.072358
     16.98550      5.29922      7.22984        -0.190941      0.076192      0.065499
     16.91289      6.69501      7.39521        -0.040846     -0.164019      0.028778
     15.46787      5.52767      5.37497         0.151569     -0.029585      0.142520
     15.46823      6.91719      5.49343         0.105834      0.074829      0.047142
     16.21225      7.50581      6.51066         0.073718     -0.026173      0.101653
     16.46328      8.94004      6.85193         0.102998     -0.258483      0.280596
     17.48443      7.58111      8.45727        -0.196852      0.149749     -0.293938
     17.74460     10.11842      8.74097        -0.057137     -0.068279      0.102505
     18.79997     10.01479      9.64809         0.024137      0.098142      0.154193
     19.36740     11.15915     10.21230        -0.174122     -0.326154     -0.034963
     17.27299     11.43002      8.53179        -0.046160     -0.000565      0.060155
     17.82420     12.57633      9.16596        -0.068037     -0.230867     -0.264575
     18.95529     12.48489     10.05793         0.129881      0.143642      0.073913
     19.75216     13.57671     10.79947         0.079761     -0.030071      0.090841
     21.04433     13.46714     11.45835         0.091695     -0.052584     -0.104558
      0.43119     14.59340     12.00522         0.066987      0.047933     -0.077026
     19.24556     14.89195     10.89268        -0.099425     -0.059766     -0.110626
     19.91605     16.01771     11.38009        -0.037604      0.200495      0.076666
     21.17304     15.88954     11.98208         0.047087      0.153395      0.002819
      0.78746     12.30350     11.52033        -0.171970     -0.025098     -0.055898
     17.04256     13.82436      8.81725        -0.086313      0.158603      0.092021
     20.37098      1.37573      6.13836        -0.133958     -0.068545     -0.007754
     19.78703      2.41572      5.41135        -0.041308      0.186733      0.093071
     19.77790      3.72664      5.86806        -0.055116     -0.184224      0.207906
     20.89597      1.62132      7.40227        -0.067215      0.055588     -0.077401
     20.79766      2.92428      7.90821        -0.023385      0.027895      0.085410
     20.26831      4.01948      7.17055        -0.122851     -0.188193     -0.117191
     20.23288      0.12025      5.34107        -0.004072      0.025436     -0.037009
     19.17827      1.84914      4.16698         0.296312     -0.116386      0.407081
     20.30000      5.43027      7.67122         0.037562      0.109072      0.092242
     19.91333      6.48116      6.81715        -0.053377      0.063758      0.047976
     20.20749      7.80230      7.13856        -0.043152      0.289293     -0.155613
     -0.46083      5.81414      8.94259        -0.006155     -0.059263      0.030941
     -0.08471      7.13113      9.23016        -0.064115      0.232235      0.094734
     20.90851      8.12638      8.28650         0.124370      0.282377      0.109260
     -0.01440      9.59761      8.25002        -1.771831     -1.681974     -1.883083
     19.93190      9.06314      6.37588         0.408777      0.077029      0.758064
     20.40871     11.54735      6.76029        -0.139305     -0.231993     -0.003605
     19.49901     11.96227      5.77330        -0.028852      0.134732      0.045531
     19.21574     13.32128      5.59666         0.063952     -0.358957      0.006168
     21.07110     12.59624      7.43410         0.099731     -0.029998      0.019599
     20.82919     13.97052      7.19770         0.040611     -0.126223     -0.063676
     19.82569     14.41150      6.25487        -0.124361      0.248139     -0.173144
     19.32529     15.83991      5.96136         0.065851     -0.116299      0.052969
     18.51763     16.29849      4.85386        -0.030336      0.217906     -0.011304
     17.99072     17.61478      4.81725         0.050282     -0.033944      0.018667
     19.56021     16.87319      6.90183        -0.134467      0.145969     -0.002480
     18.95368     18.13315      6.92932         0.081705     -0.125510     -0.115043
     18.10095     18.53132      5.88494         0.043497      0.062568      0.159403
     17.98465     15.44316      3.70212         0.149611      0.094409     -0.020647
      0.55899     14.86522      7.93601         0.207193      0.006340     -0.082640
     12.72145      5.21388      4.06449        -0.030282     -0.000994     -0.052377
     13.20856      3.78267     20.53146        -0.019365      0.029203      0.065541
     12.91991      6.15030     21.08333         0.104346     -0.018299      0.013252
     12.85836      7.39797      4.42390         0.003690      0.007829     -0.055468
     13.17310      7.89845      0.12247         0.045896     -0.017863     -0.109919
     13.54300     10.28816      0.38416         0.044790     -0.004243      0.058947
     13.28123     13.42845      8.66579        -0.011136     -0.025197      0.226549
     13.28898     11.56015      7.23248        -0.135886      0.172521     -0.091552
     14.39042     14.09800      3.95869        -0.152971     -0.023241      0.105752
     12.92300     17.14619     11.47820        -0.007952     -0.020928     -0.136673
     15.10921     17.42538      7.12266        -0.086701     -0.099076      0.192110
     14.98605     19.38016      8.46562         0.046356     -0.280057      0.115232
      9.81493      6.87656      3.17247        -0.067246     -0.127498      0.006494
      9.87391      3.53267      6.90274         0.090261      0.032586     -0.072698
      9.94141      5.90611      7.41480         0.202310      0.056084     -0.042667
     10.04970      8.89159      3.71250         0.025134      0.043235     -0.091934
      9.85471      7.70223      7.88642         0.065306     -0.017844     -0.072683
      9.94056     10.04105      8.58596         0.099455     -0.042482     -0.040767
     12.11459     15.83488      2.40028        -0.006795      0.096224     -0.017915
     11.36963     13.67887      2.90337         0.102905      0.077975      0.113396
     10.23946     15.00254      6.80961         0.121395      0.003027      0.129446
     13.37132     20.28642      1.21573        -0.117276     -0.048591     -0.110674
     11.58400     19.23363      5.58753         0.075220     -0.005116     -0.041142
     12.05067      0.19012      5.11242        -0.051920      0.003343     -0.151943
     10.30122      9.11997     17.40836         0.019574      0.033085     -0.007862
     10.47277      7.74343     12.59113        -0.064968      0.052499      0.156284
     10.29743     10.10400     13.16176         0.066209     -0.056588      0.123464
     10.39234     11.38017     17.79393         0.082669      0.049405     -0.057072
     10.53996     11.90589     13.46494         0.009540     -0.057079      0.048598
     10.77585     14.30533     13.73614         0.033656     -0.027157     -0.045013
      9.39755     17.72463      0.36010        -0.027581      0.005229      0.027916
      9.81225     15.80416     20.37451        -0.111616      0.031504     -0.111408
     11.65177     18.21921     17.34106        -0.089761     -0.130369      0.074371
      8.83013      0.07732      3.27804         0.168279      0.050714     -0.183598
     11.12250      0.59105     20.26995        -0.063852      0.040059     -0.096830
     10.52550      2.53691      0.20399         0.068476     -0.092960      0.098698
      6.99769     10.67596     15.86423         0.040838     -0.032169     -0.070866
      7.35505      7.32473     19.58053         0.106855      0.068416     -0.133281
      7.39926      9.70976     20.07807         0.182416      0.032361      0.042922
      7.28877     12.78888     16.44343        -0.081523      0.018166     -0.088195
      7.21985     11.44982     20.58554         0.095547     -0.044292     -0.074971
      7.31683     13.74523      0.09850        -0.021223     -0.051147     -0.046198
      9.26738     19.88387     15.78783         0.190822      0.109935     -0.142282
      8.62721     17.68266     16.13013         0.074007     -0.024707      0.023630
      6.54140     18.85989     19.67595         0.128571      0.079135     -0.023488
     10.28558      2.92876     14.42033        -0.010872     -0.063324      0.353219
      8.17494      2.00381     18.72322         0.087936     -0.004681      0.123702
      9.09186      4.14195     18.34981        -0.198491      0.238639      0.091931
      6.79119     12.97705      8.81743         0.005769     -0.048668      0.119374
      7.37203     11.45836      4.07991        -0.122643      0.009636      0.094450
      7.53718     13.81696      4.63465        -0.133352      0.028690     -0.029037
      6.94558     15.18472      9.17782         0.040932     -0.032978      0.108775
      7.67827     15.58501      4.92524        -0.174329     -0.033642     -0.122930
      7.73597     17.99438      5.11821        -0.054803      0.046520      0.009230
      6.68272      0.32636     13.02961        -0.141740      0.017416      0.118467
      6.83175     19.65711     11.79196         0.056020      0.025616     -0.176550
      8.57412      0.65453      8.57950        -0.046571     -0.013449      0.070684
      6.21968      3.87361     15.87578         0.061764      0.138605      0.054894
      8.50393      4.40687     11.61170         0.053983      0.037139     -0.376357
      8.08040      6.33896     12.90412        -0.037093     -0.209064      0.064448
      3.68661     14.37102      8.90405         0.171642      0.078732     -0.165449
      4.70194     11.37008     12.75442         0.143925      0.021564     -0.147068
      4.73253     13.78248     13.07169         0.101928      0.063295     -0.000405
      3.77775     16.47186      9.17795         0.001812     -0.037260      0.016557
      5.06139     15.65099     13.25859         0.010187     -0.053240     -0.043299
      5.12149     18.03841     13.74512        -0.032103     -0.064783     -0.112097
      5.56930      2.35753      7.50196         0.130614      0.103388      0.024763
      4.77580      0.26190      7.97152         0.108735      0.066286      0.063078
      3.73515      1.59339     11.88557         0.144891     -0.123513      0.125086
      7.22392      6.44327      6.11967        -0.186171      0.148000      0.022115
      5.62723      5.87660     10.67442         0.081431     -0.116866      0.173968
      6.11098      8.02392      9.96169         0.028043      0.011074      0.019888
      2.03892     16.34939      3.32153        -0.010758      0.022864      0.016770
      0.10205     14.77340     20.21558        -0.018374     -0.065258      0.308161
      0.27303     17.12251     20.67671        -0.056078      0.002592      0.005510
      1.70923     18.73487      3.70304         0.034806     -0.043241     -0.005935
      0.21154     18.80788     20.86915        -0.035461     -0.050758     -0.031588
     -0.09821     -0.06547     20.97150         0.006362     -0.017297      0.085222
      2.54232      4.02198      6.95006         0.095016      0.102459      0.033170
      2.30856      2.07674      5.83009         0.024987      0.129092     -0.151262
      0.32038      4.20295      2.66546         0.158086     -0.043073      0.335136
      3.25295      7.67095      9.57918         0.028999      0.030515     -0.167721
      1.66613      8.25816      5.00249        -0.049021     -0.015282     -0.214188
      2.42690     10.16008      6.21924         0.080849     -0.075002     -0.098231
      3.63854     17.05599     20.58371        -0.060207     -0.015603     -0.011083
      5.84073     13.88260      2.51242        -0.147344      0.032649     -0.120805
      5.85714     16.25543      2.96862        -0.120221     -0.101667     -0.038694
      3.57335     19.37815      0.14073         0.032459      0.018878     -0.062527
      5.91361     17.88458      3.48066        -0.101983      0.050126      0.040188
      6.22438     20.11308      4.32627        -0.157002      0.081304      0.013367
      2.10052      5.63833      0.31774         0.100943      0.034737     -0.236744
      2.53153      3.36274      0.37775         0.047966     -0.028824     -0.105590
      5.23225      3.96580      3.66017        -0.105426      0.025066     -0.083934
      0.83827     10.21561      0.42677         0.008705     -0.028071      0.197872
      4.71750      8.79421      2.94765        -0.048991     -0.051555     -0.131204
      3.91152     10.96288      3.31027        -0.049933     -0.149606     -0.323874
     20.15853     19.49996     15.29776        -0.038767     -0.037381      0.148772
     16.56368     17.89170     12.18781         0.077602      0.066477      0.070599
     17.08675     20.28214     12.33123        -0.016612      0.034879      0.035161
     20.45532      0.33868     15.45229        -0.022653     -0.057531      0.207184
     17.03947      0.87122     12.82148        -0.064430     -0.096970     -0.045518
     17.06101      3.28342     13.24464        -0.050826     -0.004013     -0.050128
      2.28484      6.64186     17.94721         0.569044      0.056635      0.047137
      1.24688      4.71897     17.15358        -0.087076      0.134528      0.047903
     18.91826      6.95768     16.61561         0.055516      0.041890     -0.083147
      4.62681     10.15115     19.85830        -0.380923      0.303462      0.020072
      0.06345     10.74472     18.22450         0.079734      0.008573      0.066827
      1.16820     12.58732     19.16110        -0.029286      0.142003     -0.067837
      0.70700     21.20636     13.01331         0.051066     -0.139221      0.051055
      3.45876     17.92750     15.63915        -0.122226      0.184657      0.080766
      3.63441     20.33623     16.12509        -0.028949      0.134050      0.023383
      1.05851      1.98476     13.34306        -0.045796      0.057310      0.023562
      3.44030      0.94634     16.84497        -0.124509     -0.056429     -0.127859
      4.07218      3.27100     17.12594        -0.116371     -0.039791      0.038585
     19.98538      8.89443     13.78914        -0.024791      0.093575      0.012224
     20.97310      6.79177     13.49239        -0.122153      0.107411      0.172883
      3.38682      8.28155     15.04856         0.045513     -0.047445      0.195388
     17.93136     13.12968     13.93299        -0.026759     -0.103157     -0.127807
      1.33544     12.50399     15.19603        -0.069520      0.037226      0.131111
      0.39508     14.63110     15.43762        -0.128632     -0.043532     -0.129699
     17.53092      2.48456      7.59050        -0.022548     -0.033205      0.102656
     14.86032      1.00654      3.62776         0.181659      0.015212     -0.002367
     14.94404      3.37597      4.23145         0.044492      0.019345     -0.015302
     17.65146      4.71487      7.86039        -0.110784     -0.012614      0.262152
     14.84460      5.11187      4.59076         0.023684     -0.033275     -0.065336
     14.87740      7.52372      4.81143         0.164720     -0.001361     -0.010022
     20.20407     10.95064     10.84280        -0.013944     -0.018808      0.098226
     19.21544      9.05082      9.94289        -0.181670      0.119805     -0.067528
     16.43865     11.56854      7.84688         0.113365      0.030568      0.068526
      1.41639     14.44582     12.43293        -0.188341      0.143319      0.045178
     18.23660     15.07175     10.55094        -0.027460      0.082599     -0.023732
     19.45020     16.99628     11.25757        -0.021334     -0.092121      0.114072
     19.38356      4.48464      5.19739        -0.134707      0.117464      0.043756
      0.11660      0.81801      7.96810        -0.107046      0.099339      0.068510
     -0.06700      3.08746      8.90695         0.003798      0.114806      0.110675
     19.42534      6.27317      5.87806        -0.144762     -0.016511     -0.095988
     -0.30171      5.07345      9.72517         0.046845     -0.053649     -0.064882
      0.43587      7.36005     10.16614        -0.199721     -0.008228     -0.031471
     18.41033     13.48281      4.90284        -0.016611      0.121436     -0.038026
     18.97752     11.23495      5.14907         0.000499      0.146358      0.184055
      0.58141     12.33893      8.15452        -0.128667     -0.009211     -0.075163
     17.36826     17.88035      3.96584         0.070445      0.012553      0.092595
     20.23242     16.69951      7.72440        -0.096023     -0.097810      0.117780
     19.17422     18.79331      7.76886        -0.060942     -0.054167     -0.124391
     13.86245     19.28770     10.74429         0.073457     -0.132597     -0.066433
     19.22056     21.08859      3.47277         0.034311      0.022614      0.059122
     12.84116      1.21644      2.63880         0.039130      0.004576      0.096177
     13.64384     11.53857      4.50658         0.085280      0.031722     -0.154538
      9.53274      2.61420      2.79154         0.061409     -0.028508      0.176374
     10.47992     12.76374      5.33573        -0.166664     -0.049048     -0.151934
     10.12381      5.12073     15.93209        -0.072065      0.017423      0.399307
     10.79105     15.63821     17.79711         0.045373     -0.020612      0.194956
      7.04847      6.40903     15.45446        -0.143672      0.022680      0.042542
      7.29802     16.64358     18.25619        -0.104733     -0.070284     -0.194305
      6.77155      8.89802      7.44878        -0.056426      0.043412      0.127004
      7.54289     19.42121      9.12467        -0.002012      0.053476      0.143093
      3.49638     10.17005      8.82298        -0.020880     -0.103176      0.140353
      4.12985     20.53552     10.46367        -0.061459     -0.277918     -0.103903
      1.74011     12.21434      1.91319         0.161002      0.080799     -0.162882
      1.19984      1.70294      3.34802        -0.028265     -0.116417     -0.072521
      3.66733     12.72894     20.29919        -0.185689     -0.134970     -0.103752
      4.33112      1.93613      2.01342        -0.172325      0.226546     -0.112235
     19.13672     15.44115     14.57647        -0.070645     -0.034625     -0.000897
     20.02414      4.53030     16.03402        -0.205586      0.014007     -0.016242
      0.62806     16.98127     12.60598         0.182394     -0.162187      0.138955
      2.06817      5.93274     14.42694        -0.065287     -0.025806     -0.068166
     17.39698     19.80168      5.90699         0.175443     -0.032182      0.087736
     17.21407      8.95184      8.07237         0.075747     -0.127749      0.047086
     19.49263      0.48554      4.20377         0.021503      0.072455     -0.004642
     20.58974     10.14226      7.07709        -0.114795      0.190740     -0.130908
     12.42143      2.30736      4.68984         0.001771      0.065884     -0.014474
     13.66707      1.00949      0.42272        -0.083395      0.068395      0.106606
     13.22364      9.77886      6.03000        -0.028171     -0.201982      0.605864
     13.92271     12.58793      2.38641         0.050486     -0.068929      0.073992
      9.55407      4.44027      1.30348         0.022993      0.070134      0.050212
      9.31972      1.46905      4.84963        -0.034168     -0.772945      0.550480
     10.28071     11.77589      3.19642        -0.010708      0.004147      0.084961
     10.14861     12.94038      7.67427         0.084242     -0.272743     -0.353832
     10.03717      6.16683     18.04182         0.102693      0.110395     -0.730482
     10.87715      4.89241     13.69484        -0.484114      0.733795      0.917256
     10.62128     13.90457     19.39994         0.020230     -0.113706      0.331984
     11.06436     16.64205     15.67596        -0.024823     -0.044665     -0.029466
      6.90188      8.25042     13.98902         0.066457      0.007012      0.061405
      6.62326      5.29915     17.49620         0.221948      0.005601      0.103331
      7.34934     15.76231     16.05928        -0.112536     -0.021967      0.154469
      7.06552     16.67098     20.59756         0.110569     -0.377716     -0.505408
      6.79153     10.04097      9.52239         0.035573      0.001079      0.320425
      7.09032      8.67777      5.12165         0.062320     -0.354907     -0.327430
      7.45572     17.69880     10.74422         0.007972     -0.109453      0.601975
      7.70117     20.38001      6.97424        -0.039511      0.525361     -0.332989
      3.16668     11.94594      7.32996        -0.053054      0.150555     -0.498208
      3.84358      9.10650     10.93418         0.070099      0.139209     -0.060047
      3.95369     19.39976      8.37923        -0.026841     -0.007613      0.973125
      4.30539     20.77711     12.78666         0.037549     -0.061612      0.104575
      2.92962     13.32097      3.63724         0.469352     -0.211546      0.674841
      0.13074     12.06315      0.16966        -0.280414     -0.134807     -0.126068
      2.25878      0.19234      4.83350         0.356429     -0.106658      0.496469
      0.07132      2.42348      1.40346        -0.197839      0.276955     -0.349552
      2.99484     14.50617     18.89716        -0.076734     -0.062157      0.005863
      4.99299     11.67253      0.68972        -0.088909      0.060728     -0.164603
      3.19817      1.13094      0.09443        -0.204356      0.190278     -0.270173
      5.81704      1.80231      3.85094         0.439530      0.407573      0.535435
     -0.58561     16.63017     15.91919         0.178857      0.025650      0.199684
     17.14847     15.11570     13.30737         0.325607      0.222926      0.177458
     -0.05776      2.76200     17.07666         0.072844      0.054716     -0.009487
     18.33365      5.56266     14.74280         0.037548     -0.020824      0.000942
     21.08872     18.80735     11.37120        -0.283751      0.263885     -0.159461
      2.09999     15.77466     14.02684        -0.098921      0.498968     -0.066690
      0.51001      4.86180     12.98471         0.790159     -0.110664      0.960401
      4.02917      6.09014     15.69763         0.832009      0.687656      0.611501
     18.18679     20.76593      7.92858         0.089173     -0.007396      0.095583
     15.95390     19.58092      4.04662         0.106175     -0.002143     -0.033079
     18.02607      7.22611      9.48098         0.187409     -0.143860      0.611528
     16.14781      9.92447      6.21634        -0.165066      0.421771     -0.274897
     18.51581      2.39465      3.30943        -0.332228      0.393243     -0.484932
     20.64645     20.24961      5.54958         0.127597     -0.107201      0.198227
     19.25551      9.18658      5.38058        -0.515764      0.045090     -0.616713
      0.66105     10.20661      9.00742         1.394028      1.270669      1.665940
     14.02589     17.46886      5.35105        -0.103044     -0.153228      0.026141
     15.94352     16.49140      5.68120         0.009108     -0.116651     -0.059055
     14.82120     16.14778      3.83100        -0.087606      0.040958      0.190397
     11.91376     15.36535     11.49848        -0.064565     -0.113407     -0.100573
     11.43215     14.55886      9.53589        -0.060605     -0.144355     -0.048096
     13.22252     13.86518     10.63874        -0.019428     -0.019914     -0.059429
     11.96054     17.93913      7.22909        -0.085300     -0.010234     -0.099660
     10.01869     18.54696      6.44719        -0.197589     -0.023512     -0.061188
     10.16926     16.82355      7.75784         0.187926      0.062622     -0.127424
     13.25810     18.54420      0.11040         0.162067     -0.012667      0.104770
     14.16106     17.12619      1.50340        -0.067837      0.047294      0.020041
     12.07979     16.89234      0.84734         0.117874      0.124972      0.044546
     10.98438      0.33237     18.33230        -0.099657     -0.162563      0.060069
     12.88725     -0.45810     19.04160         0.060722     -0.150081      0.140453
     12.06410     20.17646     17.11092         0.060956     -0.020405      0.326644
      8.52002     19.34157      3.49353        -0.084472      0.028787     -0.029503
      7.72571     18.80240      1.51207        -0.122163     -0.208136     -0.087231
      9.58957     17.94450      2.27057         0.088584      0.086306     -0.053516
      7.62361      0.84642     20.37358         0.123000     -0.055830     -0.183696
      5.89446      1.01395     19.03793         0.042661      0.097532     -0.239974
      6.01764     20.66127     20.49510         0.077811      0.108112     -0.169791
     10.04790      1.26070     13.32440         0.033460     -0.110452      0.000715
     11.10131     -0.02625     14.73776        -0.124001     -0.066043      0.023359
      9.08007     20.73577     14.04919         0.132834      0.066236      0.046829
      8.54524      4.02619      9.60034        -0.076629      0.021236      0.028708
     10.20802      3.02633     10.60367         0.149383      0.035557      0.076394
      9.60409      2.43853      8.57801         0.174812     -0.017462      0.345184
      6.06656      1.88900     16.18564        -0.125639      0.110637      0.221365
      5.07611      1.28813     14.34624        -0.317651      0.048117     -0.026942
      7.00409      0.49688     14.85089         0.014852      0.094419      0.108388
      4.95933      5.09750     12.14401        -0.022470      0.046655     -0.172157
      2.98603      4.25521     11.73872        -0.072911     -0.158386      0.122593
      4.40520      3.23835     13.03453        -0.139576      0.108506     -0.253472
      7.20016      4.47315      5.29589         0.094832     -0.013810      0.197680
      7.41540      2.94565      6.83990         0.144499     -0.032845     -0.091899
      5.43439      3.46475      6.03152         0.115931      0.179478      0.027870
     -0.58108      7.24180      4.48074        -0.123873      0.096144      0.244635
      1.00202      7.42956      3.06618         0.015789     -0.193569      0.093652
     -0.67266      6.02923      2.71109         0.055725     -0.003622      0.200706
      3.23587      5.71481      9.88099        -0.089787     -0.021815     -0.313873
      1.81139      4.51509      8.80257        -0.015275      0.102328     -0.013615
      3.80518      4.76565      7.97635         0.012110      0.032118      0.167782
      6.12395      6.97390      3.53323        -0.094333     -0.098691      0.097639
      4.17999      7.53200      4.45131         0.102823     -0.144632     -0.050334
      5.10323      5.71822      5.04351         0.044340     -0.128767      0.162611
      0.12097      8.64945     20.76160        -0.211494     -0.314553      0.161399
      1.62357      7.17125     -1.01870         0.420047     -0.169666      0.237843
      0.35725      6.83314      0.66523        -0.584800     -0.278512      0.315173
     19.42808      9.39276     19.08033        -0.097540      0.073379     -0.020256
     19.73433     10.32886     17.11631         0.112018      0.068803     -0.037100
     18.26032      8.76532     17.32975        -0.056799      0.057375      0.287502
      4.87416      8.15854     19.96980         0.031183     -0.056778      0.180632
      3.79525      6.73436     18.80487        -0.012738      0.340906      0.252327
      4.76063      8.37183     17.76750        -0.012305     -0.047488     -0.107994
      3.35948     11.45296     14.33764        -0.196222      0.055714      0.079117
      2.59479     11.59057     16.37667        -0.146526     -0.193482     -0.078003
      4.01742     10.05337     15.87134        -0.203656      0.090652     -0.209468
     17.31221     11.29319     13.17679         0.087722      0.001119      0.245341
     18.84650      9.89630     12.59269         0.006356      0.089456      0.161350
     18.02391      9.81329     14.62704         0.070409      0.116947     -0.007619
     16.22256     14.18163      9.86812        -0.003577      0.004609     -0.088123
     17.77627     14.93864      8.51822         0.197799     -0.069311     -0.044064
     16.24061     13.64982      7.72909         0.155314     -0.011819      0.128527
      1.78884     12.53639     12.42193        -0.068592     -0.135291     -0.087940
      0.35603     11.04667     11.86594         0.101491      0.172945      0.079887
      1.38496     12.17865     10.30828        -0.017872      0.017924      0.080475
      1.26994     15.65790      7.06985        -0.119392      0.023379     -0.057656
      0.04568     15.71498      8.89213        -0.015292     -0.171028     -0.161225
      1.48113     14.13724      8.63061        -0.043186      0.242644     -0.266657
     17.38728     16.17606      2.72223         0.180349      0.010533     -0.028316
     18.93449     14.68808      3.06739         0.172427      0.075897      0.044905
     17.01359     14.55935      4.13493         0.095674      0.001907     -0.189126
 -----------------------------------------------------------------------------------
    total drift:                               -0.006659      0.014382      0.005425


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4570.1124320473 eV

  energy  without entropy=    -4570.2639043373  energy(sigma->0) =    -4570.16292281
 
 d Force = 0.3177555E-01[-0.546E-03, 0.641E-01]  d Energy = 0.3188060E-01-0.105E-03
 d Force = 0.2161466E+03[ 0.216E+03, 0.216E+03]  d Ewald  = 0.2161466E+03-0.584E-04


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   58(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.4810465E+00  (-0.5412007E+02)
 number of electron    2498.0000115 magnetization 
 augmentation part      162.7189637 magnetization 

  free energy =  -0.456963139312E+04  energy without entropy=  -0.456978228134E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   58(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) :-0.1172598E+01  (-0.1419088E+01)
 number of electron    2498.0000115 magnetization 
 augmentation part      162.8019172 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8639
  0.8639

  free energy =  -0.457080399069E+04  energy without entropy=  -0.457095289700E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   58(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3696
 total energy-change (2. order) : 0.4731500E-01  (-0.3060551E-01)
 number of electron    2498.0000115 magnetization 
 augmentation part      162.7540072 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3994
  1.1025  1.6963

  free energy =  -0.457075667569E+04  energy without entropy=  -0.457090732920E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   58(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3608
 total energy-change (2. order) :-0.2700673E-02  (-0.2489104E-01)
 number of electron    2498.0000115 magnetization 
 augmentation part      162.7113493 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2801
  2.1933  0.8236  0.8236

  free energy =  -0.457075937636E+04  energy without entropy=  -0.457090859724E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   58(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3520
 total energy-change (2. order) :-0.1720133E-02  (-0.5256079E-02)
 number of electron    2498.0000115 magnetization 
 augmentation part      162.7173876 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2819
  2.3471  0.9533  0.9533  0.8740

  free energy =  -0.457076109650E+04  energy without entropy=  -0.457091170689E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   58(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) : 0.2541613E-02  (-0.2391193E-02)
 number of electron    2498.0000115 magnetization 
 augmentation part      162.7220715 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2190
  2.4007  1.0822  1.0822  0.7648  0.7648

  free energy =  -0.457075855488E+04  energy without entropy=  -0.457090823083E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   58(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3600
 total energy-change (2. order) :-0.8078967E-04  (-0.7447129E-03)
 number of electron    2498.0000115 magnetization 
 augmentation part      162.7241072 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2124
  2.4018  1.1821  1.1821  0.9400  0.9400  0.6280

  free energy =  -0.457075863567E+04  energy without entropy=  -0.457090909587E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   58(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3512
 total energy-change (2. order) : 0.1292426E-03  (-0.9319528E-04)
 number of electron    2498.0000115 magnetization 
 augmentation part      162.7280144 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2252
  2.4559  1.0796  1.0796  1.2607  1.2607  0.8558  0.5841

  free energy =  -0.457075850643E+04  energy without entropy=  -0.457090873659E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   58(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3608
 total energy-change (2. order) :-0.2439271E-04  (-0.8257512E-04)
 number of electron    2498.0000115 magnetization 
 augmentation part      162.7272098 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2203
  2.5054  1.0339  1.0339  1.3594  1.3594  0.9344  0.9344  0.6017

  free energy =  -0.457075853082E+04  energy without entropy=  -0.457090876170E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   58(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3632
 total energy-change (2. order) :-0.3234536E-04  (-0.1127865E-04)
 number of electron    2498.0000115 magnetization 
 augmentation part      162.7267935 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2260
  2.5835  1.8453  1.0649  1.0649  1.1823  0.9730  0.9730  0.7451  0.6024

  free energy =  -0.457075856317E+04  energy without entropy=  -0.457090884256E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   58(  11)  ---------------------------------------



 eigenvalue-minimisations  :  2872
 total energy-change (2. order) :-0.3785465E-04  (-0.3438851E-05)
 number of electron    2498.0000115 magnetization 
 augmentation part      162.7266250 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2280
  2.6222  1.9198  1.3938  1.0424  1.0424  0.9330  0.9330  0.6046  0.9383  0.8503

  free energy =  -0.457075860102E+04  energy without entropy=  -0.457090886882E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   58(  12)  ---------------------------------------



 eigenvalue-minimisations  :  2272
 total energy-change (2. order) :-0.3656888E-04  (-0.4945470E-06)
 number of electron    2498.0000115 magnetization 
 augmentation part      162.7266586 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2851
  2.6544  2.3731  1.4222  1.4222  1.0522  1.0522  0.9450  0.9450  0.9285  0.6064
  0.7351

  free energy =  -0.457075863759E+04  energy without entropy=  -0.457090890963E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   58(  13)  ---------------------------------------



 eigenvalue-minimisations  :  2288
 total energy-change (2. order) :-0.4933088E-04  (-0.7358458E-06)
 number of electron    2498.0000115 magnetization 
 augmentation part      162.7268525 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3060
  3.0078  2.5100  1.4956  1.4956  1.0347  1.0347  0.9621  0.9621  0.9253  0.9253
  0.6057  0.7131

  free energy =  -0.457075868692E+04  energy without entropy=  -0.457090896043E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   58(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2280
 total energy-change (2. order) :-0.2860266E-04  (-0.4246714E-06)
 number of electron    2498.0000115 magnetization 
 augmentation part      162.7268100 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3527
  3.5496  2.5483  1.5948  1.5948  1.0513  1.0513  1.1356  1.1356  0.9365  0.9365
  0.6056  0.7624  0.6827

  free energy =  -0.457075871553E+04  energy without entropy=  -0.457090898717E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   58(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2248
 total energy-change (2. order) :-0.1802994E-04  (-0.2591672E-06)
 number of electron    2498.0000115 magnetization 
 augmentation part      162.7267040 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3900
  4.1197  2.5920  1.8945  1.3882  1.0421  1.0421  1.1248  1.1248  0.9654  0.9654
  0.9481  0.9481  0.6053  0.7000

  free energy =  -0.457075873356E+04  energy without entropy=  -0.457090900825E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   58(  16)  ---------------------------------------



 eigenvalue-minimisations  :  2200
 total energy-change (2. order) :-0.7363036E-05  (-0.9069964E-07)
 number of electron    2498.0000115 magnetization 
 augmentation part      162.7267040 magnetization 

  free energy =  -0.457075874092E+04  energy without entropy=  -0.457090901439E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0492       2 -56.1262       3 -56.0376       4 -55.8341       5 -55.8172
       6 -56.2881       7 -58.1752       8 -58.2051       9 -56.2595      10 -55.9418
      11 -56.0119      12 -55.7887      13 -55.8095      14 -56.0008      15 -58.1444
      16 -58.0438      17 -56.3752      18 -54.9964      19 -54.8984      20 -55.1337
      21 -55.6629      22 -55.6430      23 -55.6727      24 -55.6159      25 -54.9812
      26 -54.7841      27 -54.9409      28 -54.9426      29 -60.3949      30 -60.3851
      31 -55.6605      32 -55.8152      33 -55.7128      34 -55.3315      35 -55.4841
      36 -55.9767      37 -57.8160      38 -57.9904      39 -56.0528      40 -55.7558
      41 -55.8771      42 -55.6689      43 -55.7101      44 -55.8742      45 -58.1126
      46 -58.0913      47 -56.4508      48 -55.1316      49 -54.9494      50 -55.2814
      51 -55.9024      52 -55.8642      53 -55.7650      54 -55.7357      55 -55.0887
      56 -54.8473      57 -55.0046      58 -56.3649      59 -60.3616      60 -60.6163
      61 -55.9504      62 -55.9939      63 -55.8983      64 -55.7624      65 -55.7316
      66 -56.2164      67 -58.1172      68 -58.1218      69 -56.2138      70 -55.8783
      71 -55.9801      72 -55.6974      73 -55.6672      74 -55.9172      75 -58.0863
      76 -58.0946      77 -56.4325      78 -55.1036      79 -54.9576      80 -55.2437
      81 -55.8667      82 -55.8656      83 -55.8801      84 -55.9018      85 -55.2258
      86 -55.0438      87 -55.1998      88 -56.4356      89 -60.6912      90 -60.4370
      91 -55.7112      92 -55.8320      93 -55.7233      94 -55.4946      95 -55.5370
      96 -56.0410      97 -57.8788      98 -57.9855      99 -56.1517     100 -55.8661
     101 -56.0026     102 -55.6652     103 -55.7254     104 -55.9383     105 -58.1204
     106 -58.1657     107 -56.4595     108 -55.1355     109 -54.9707     110 -55.3976
     111 -55.9775     112 -55.8921     113 -55.8116     114 -55.8314     115 -55.1209
     116 -54.9516     117 -55.0504     118 -56.3618     119 -60.4285     120 -60.6295
     121 -55.9323     122 -55.9781     123 -55.8376     124 -55.7499     125 -55.7381
     126 -56.1536     127 -58.0511     128 -58.1569     129 -56.0962     130 -55.7510
     131 -55.8577     132 -55.6366     133 -55.5796     134 -55.8002     135 -57.9029
     136 -57.9883     137 -56.4169     138 -55.0687     139 -54.8788     140 -55.2601
     141 -55.8663     142 -55.8339     143 -55.9315     144 -55.8966     145 -55.2121
     146 -55.1262     147 -55.2463     148 -56.4564     149 -60.5467     150 -60.6053
     151 -55.6213     152 -55.6406     153 -55.4813     154 -55.3418     155 -55.4178
     156 -55.8791     157 -57.9476     158 -57.8239     159 -55.9936     160 -55.7363
     161 -55.9065     162 -55.5218     163 -55.5883     164 -55.8124     165 -57.9720
     166 -58.0760     167 -56.4491     168 -55.0569     169 -54.8398     170 -55.3021
     171 -55.9225     172 -55.8918     173 -55.8518     174 -55.7793     175 -55.3315
     176 -54.8536     177 -55.0492     178 -56.4923     179 -60.4919     180 -60.6279
     181 -55.9029     182 -56.0599     183 -55.9210     184 -55.6861     185 -55.6670
     186 -56.2160     187 -58.0023     188 -58.1899     189 -56.2270     190 -55.8496
     191 -55.9885     192 -55.7150     193 -55.7070     194 -55.9325     195 -58.0682
     196 -58.1437     197 -56.5146     198 -55.0900     199 -54.9451     200 -55.2897
     201 -55.9035     202 -55.9373     203 -55.9096     204 -55.8711     205 -55.1482
     206 -55.2256     207 -55.1891     208 -56.4575     209 -60.7410     210 -60.4965
     211 -55.9227     212 -56.0345     213 -55.9138     214 -55.7241     215 -55.6609
     216 -56.1938     217 -58.0710     218 -58.1680     219 -56.0864     220 -55.7679
     221 -55.8583     222 -55.5392     223 -55.4722     224 -55.7782     225 -57.9562
     226 -58.0363     227 -56.5423     228 -55.1200     229 -55.0270     230 -55.2893
     231 -55.7818     232 -55.8994     233 -55.8994     234 -55.7050     235 -54.9793
     236 -55.0774     237 -55.1953     238 -56.4411     239 -60.3619     240 -60.3843
     241 -55.9517     242 -55.9896     243 -55.8582     244 -55.7457     245 -55.7355
     246 -56.1717     247 -58.1005     248 -58.0930     249 -56.1557     250 -55.8271
     251 -55.9442     252 -55.7045     253 -55.7054     254 -55.8802     255 -57.9962
     256 -58.0166     257 -56.3201     258 -55.0187     259 -54.7927     260 -55.1734
     261 -55.7628     262 -55.7687     263 -55.8835     264 -55.9235     265 -55.3413
     266 -54.9724     267 -55.1577     268 -56.4196     269 -60.6372     270 -60.3669
     271 -55.8978     272 -55.9635     273 -55.8143     274 -55.7068     275 -55.6626
     276 -56.0923     277 -58.1286     278 -58.1147     279 -55.9553     280 -55.6592
     281 -55.7696     282 -55.5202     283 -55.5063     284 -55.7956     285 -58.0638
     286 -57.9557     287 -56.4208     288 -55.0227     289 -54.9332     290 -55.2657
     291 -55.9050     292 -55.8615     293 -55.8487     294 -55.8466     295 -55.2091
     296 -54.9557     297 -55.0630     298 -56.4231     299 -60.4523     300 -60.5890
     301 -55.8467     302 -55.9846     303 -55.8786     304 -55.5855     305 -55.6103
     306 -56.1126     307 -58.0384     308 -58.2050     309 -56.1279     310 -55.7975
     311 -55.9338     312 -55.6533     313 -55.6294     314 -55.8637     315 -57.9771
     316 -58.0477     317 -56.4025     318 -55.0125     319 -54.7847     320 -55.2435
     321 -55.7943     322 -55.7331     323 -55.8662     324 -55.8992     325 -55.2088
     326 -55.0741     327 -55.2312     328 -56.4408     329 -60.5934     330 -60.4273
     331 -55.7669     332 -55.7870     333 -55.6878     334 -55.6079     335 -55.5805
     336 -56.0431     337 -57.9461     338 -57.9295     339 -55.9217     340 -55.5827
     341 -55.7470     342 -55.5296     343 -55.5327     344 -55.7697     345 -57.9829
     346 -57.9330     347 -56.4734     348 -55.0209     349 -54.9511     350 -55.2663
     351 -55.8461     352 -55.8282     353 -55.7851     354 -55.7735     355 -55.2364
     356 -54.9045     357 -55.0283     358 -56.4485     359 -60.4853     360 -60.5691
     361 -39.0983     362 -38.8183     363 -39.0035     364 -39.0310     365 -39.0033
     366 -38.7467     367 -38.1636     368 -38.0174     369 -38.0800     370 -38.0950
     371 -38.1511     372 -38.1539     373 -38.7281     374 -38.3092     375 -38.6631
     376 -38.8101     377 -38.8381     378 -38.7473     379 -38.1369     380 -38.1045
     381 -38.2552     382 -38.0635     383 -38.2208     384 -37.9741     385 -38.8250
     386 -38.7611     387 -38.8811     388 -38.8201     389 -38.8422     390 -38.5425
     391 -38.2554     392 -38.1793     393 -38.1777     394 -38.1285     395 -38.2853
     396 -38.2556     397 -38.7503     398 -38.4422     399 -38.7510     400 -38.8712
     401 -38.7892     402 -38.7718     403 -38.2143     404 -38.1866     405 -38.3853
     406 -38.0272     407 -38.1290     408 -38.0663     409 -38.7560     410 -38.7310
     411 -38.9880     412 -38.7184     413 -38.9329     414 -38.6095     415 -38.2562
     416 -38.2268     417 -38.1175     418 -38.1609     419 -38.3420     420 -38.3176
     421 -38.5435     422 -38.2954     423 -38.5565     424 -38.6870     425 -38.6175
     426 -38.6170     427 -38.2542     428 -38.0384     429 -38.3320     430 -38.2650
     431 -38.1021     432 -37.9790     433 -38.7266     434 -38.6465     435 -38.9460
     436 -38.7013     437 -38.9583     438 -38.6865     439 -38.4489     440 -38.1049
     441 -38.1532     442 -38.1545     443 -38.2800     444 -38.0743     445 -38.8282
     446 -38.7649     447 -38.9366     448 -38.7014     449 -38.8047     450 -38.3320
     451 -38.1568     452 -38.0217     453 -38.1095     454 -37.9333     455 -38.1438
     456 -38.1433     457 -38.8927     458 -38.6799     459 -38.8729     460 -38.8765
     461 -38.8978     462 -38.6831     463 -38.1707     464 -38.2039     465 -38.1550
     466 -38.3715     467 -38.0737     468 -38.2726     469 -38.8360     470 -38.7463
     471 -38.7226     472 -38.7839     473 -38.5635     474 -38.4314     475 -38.1893
     476 -38.0054     477 -38.2189     478 -38.1486     479 -38.1820     480 -37.9460
     481 -38.8484     482 -38.7373     483 -38.8879     484 -38.8382     485 -38.9360
     486 -38.7469     487 -38.1627     488 -38.1254     489 -38.1618     490 -38.3177
     491 -38.2696     492 -38.3021     493 -38.8174     494 -38.5765     495 -38.6695
     496 -38.7209     497 -38.5610     498 -38.4866     499 -38.1759     500 -37.9006
     501 -38.1598     502 -38.1207     503 -38.1500     504 -37.9424     505 -38.2142
     506 -41.0706     507 -71.6567     508 -71.5611     509 -71.3993     510 -71.5883
     511 -71.4819     512 -71.5275     513 -71.3822     514 -71.5756     515 -71.5613
     516 -71.4137     517 -71.3699     518 -71.5335     519 -71.5660     520 -71.6173
     521 -71.5006     522 -71.4717     523 -71.5179     524 -71.4596     525 -71.5389
     526 -71.4819     527 -71.5924     528 -71.4887     529 -71.2398     530 -71.5204
     531 -76.8511     532 -76.8793     533 -76.6846     534 -76.8701     535 -76.6243
     536 -76.5201     537 -76.7302     538 -76.8463     539 -76.8458     540 -76.8450
     541 -76.7409     542 -76.7726     543 -76.6327     544 -76.6086     545 -76.8190
     546 -76.8279     547 -76.8048     548 -76.7370     549 -76.6516     550 -76.5622
     551 -76.4941     552 -76.6664     553 -76.6415     554 -76.6426     555 -76.8021
     556 -76.6884     557 -76.7966     558 -76.7479     559 -76.8159     560 -76.7694
     561 -76.6548     562 -76.6169     563 -76.7221     564 -76.8223     565 -76.6372
     566 -76.7002     567 -76.7745     568 -76.8733     569 -76.5403     570 -76.7749
     571 -76.8767     572 -76.7338     573 -76.7158     574 -76.6444     575 -76.5614
     576 -76.5764     577 -76.5331     578 -76.5662     579 -82.2851     580 -82.3583
     581 -82.3666     582 -82.2838     583 -82.3330     584 -82.2974     585 -82.4808
     586 -82.5703     587 -82.4909     588 -82.2135     589 -82.1811     590 -82.3068
     591 -82.3477     592 -82.2320     593 -82.3329     594 -82.6626     595 -82.6478
     596 -82.6159     597 -82.5616     598 -82.4706     599 -82.5224     600 -82.3301
     601 -82.0830     602 -82.2676     603 -82.6073     604 -82.4738     605 -82.5573
     606 -82.4591     607 -82.3520     608 -82.4726     609 -82.7468     610 -82.3626
     611 -82.4080     612 -82.4580     613 -82.4030     614 -82.2750     615 -82.5850
     616 -82.3781     617 -82.3550     618 -82.6968     619 -82.8248     620 -82.6941
     621 -82.2256     622 -82.3365     623 -82.4635     624 -82.1995     625 -82.3574
     626 -82.3168     627 -82.1671     628 -82.2986     629 -82.3275     630 -82.4936
     631 -82.5977     632 -82.4724     633 -82.4909     634 -82.5272     635 -82.4020
     636 -82.3101     637 -82.3758     638 -82.2731     639 -82.2642     640 -82.3812
     641 -82.3835     642 -82.4133     643 -82.5269     644 -82.4749     645 -82.4320
     646 -82.4912     647 -82.5235     648 -82.3641     649 -82.3894     650 -82.3363
 
 
 
 E-fermi :  -1.4618     XC(G=0):  -6.4969     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.1753      2.00000
      2     -28.9853      2.00000
      3     -28.9546      2.00000
      4     -28.9329      2.00000
      5     -28.9213      2.00000
      6     -28.8819      2.00000
      7     -28.8636      2.00000
      8     -28.8580      2.00000
      9     -28.8572      2.00000
     10     -28.8226      2.00000
     11     -28.8091      2.00000
     12     -28.8032      2.00000
     13     -28.8023      2.00000
     14     -28.7728      2.00000
     15     -28.7388      2.00000
     16     -28.6964      2.00000
     17     -28.6820      2.00000
     18     -28.6517      2.00000
     19     -28.6464      2.00000
     20     -28.6428      2.00000
     21     -28.5908      2.00000
     22     -28.5881      2.00000
     23     -28.5760      2.00000
     24     -28.5159      2.00000
     25     -26.8858      2.00000
     26     -26.8303      2.00000
     27     -26.7647      2.00000
     28     -26.6670      2.00000
     29     -26.6483      2.00000
     30     -26.6387      2.00000
     31     -26.6045      2.00000
     32     -26.5830      2.00000
     33     -26.5782      2.00000
     34     -26.5778      2.00000
     35     -26.5738      2.00000
     36     -26.5581      2.00000
     37     -26.5557      2.00000
     38     -26.5540      2.00000
     39     -26.5437      2.00000
     40     -26.5295      2.00000
     41     -26.5247      2.00000
     42     -26.5211      2.00000
     43     -26.5073      2.00000
     44     -26.5057      2.00000
     45     -26.4964      2.00000
     46     -26.4874      2.00000
     47     -26.4737      2.00000
     48     -26.4648      2.00000
     49     -26.4513      2.00000
     50     -26.4328      2.00000
     51     -26.4201      2.00000
     52     -26.4145      2.00000
     53     -26.3983      2.00000
     54     -26.3927      2.00000
     55     -26.3855      2.00000
     56     -26.3714      2.00000
     57     -26.3676      2.00000
     58     -26.3604      2.00000
     59     -26.3581      2.00000
     60     -26.3536      2.00000
     61     -26.3512      2.00000
     62     -26.3491      2.00000
     63     -26.3290      2.00000
     64     -26.3278      2.00000
     65     -26.3256      2.00000
     66     -26.3042      2.00000
     67     -26.2949      2.00000
     68     -26.2846      2.00000
     69     -26.2521      2.00000
     70     -26.2413      2.00000
     71     -26.2406      2.00000
     72     -26.1289      2.00000
     73     -23.3454      2.00000
     74     -23.2970      2.00000
     75     -23.2414      2.00000
     76     -23.2301      2.00000
     77     -23.2207      2.00000
     78     -23.2172      2.00000
     79     -23.1940      2.00000
     80     -23.1839      2.00000
     81     -23.1839      2.00000
     82     -23.1623      2.00000
     83     -23.1515      2.00000
     84     -23.1243      2.00000
     85     -23.1158      2.00000
     86     -23.0961      2.00000
     87     -23.0690      2.00000
     88     -23.0505      2.00000
     89     -23.0236      2.00000
     90     -23.0197      2.00000
     91     -23.0168      2.00000
     92     -22.9939      2.00000
     93     -22.9897      2.00000
     94     -22.9754      2.00000
     95     -22.9638      2.00000
     96     -22.9536      2.00000
     97     -22.9075      2.00000
     98     -22.8565      2.00000
     99     -22.8153      2.00000
    100     -22.8041      2.00000
    101     -22.7962      2.00000
    102     -22.7708      2.00000
    103     -22.7688      2.00000
    104     -22.7662      2.00000
    105     -22.7555      2.00000
    106     -22.7448      2.00000
    107     -22.7348      2.00000
    108     -22.7244      2.00000
    109     -22.6977      2.00000
    110     -22.6502      2.00000
    111     -22.6344      2.00000
    112     -22.6116      2.00000
    113     -22.6025      2.00000
    114     -22.5705      2.00000
    115     -22.5580      2.00000
    116     -22.5364      2.00000
    117     -22.5164      2.00000
    118     -22.5082      2.00000
    119     -22.4766      2.00000
    120     -22.4436      2.00000
    121     -20.4648      2.00000
    122     -20.3991      2.00000
    123     -20.3701      2.00000
    124     -20.3690      2.00000
    125     -20.3283      2.00000
    126     -20.3208      2.00000
    127     -20.3147      2.00000
    128     -20.3049      2.00000
    129     -20.2683      2.00000
    130     -20.2639      2.00000
    131     -20.2597      2.00000
    132     -20.2570      2.00000
    133     -20.2306      2.00000
    134     -20.2277      2.00000
    135     -20.2143      2.00000
    136     -20.2129      2.00000
    137     -20.1990      2.00000
    138     -20.1923      2.00000
    139     -20.1831      2.00000
    140     -20.1778      2.00000
    141     -20.1469      2.00000
    142     -20.1195      2.00000
    143     -20.0977      2.00000
    144     -20.0322      2.00000
    145     -18.6914      2.00000
    146     -18.5425      2.00000
    147     -18.5330      2.00000
    148     -18.5193      2.00000
    149     -18.5134      2.00000
    150     -18.4988      2.00000
    151     -18.4698      2.00000
    152     -18.4531      2.00000
    153     -18.4368      2.00000
    154     -18.4347      2.00000
    155     -18.3957      2.00000
    156     -18.3504      2.00000
    157     -18.3470      2.00000
    158     -18.2478      2.00000
    159     -18.2287      2.00000
    160     -18.2217      2.00000
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    162     -18.2123      2.00000
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    165     -18.1645      2.00000
    166     -18.1573      2.00000
    167     -18.0825      2.00000
    168     -18.0671      2.00000
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    170     -17.9292      2.00000
    171     -17.9251      2.00000
    172     -17.8939      2.00000
    173     -17.8496      2.00000
    174     -17.8389      2.00000
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    176     -17.8071      2.00000
    177     -17.7798      2.00000
    178     -17.7666      2.00000
    179     -17.7501      2.00000
    180     -17.7092      2.00000
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    182     -17.5640      2.00000
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    184     -17.5227      2.00000
    185     -17.5160      2.00000
    186     -17.5009      2.00000
    187     -17.4985      2.00000
    188     -17.4805      2.00000
    189     -17.4784      2.00000
    190     -17.4654      2.00000
    191     -17.4521      2.00000
    192     -17.4212      2.00000
    193     -16.7764      2.00000
    194     -16.7025      2.00000
    195     -16.6989      2.00000
    196     -16.6845      2.00000
    197     -16.6543      2.00000
    198     -16.6295      2.00000
    199     -16.6104      2.00000
    200     -16.5562      2.00000
    201     -16.5448      2.00000
    202     -16.5159      2.00000
    203     -16.4991      2.00000
    204     -16.4794      2.00000
    205     -16.1609      2.00000
    206     -16.1413      2.00000
    207     -16.1292      2.00000
    208     -16.1011      2.00000
    209     -16.0640      2.00000
    210     -16.0483      2.00000
    211     -16.0126      2.00000
    212     -15.9607      2.00000
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    214     -15.9118      2.00000
    215     -15.8815      2.00000
    216     -15.7851      2.00000
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    219     -15.6407      2.00000
    220     -15.6165      2.00000
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    223     -15.5990      2.00000
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    225     -15.5584      2.00000
    226     -15.5473      2.00000
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    228     -15.4881      2.00000
    229     -15.4563      2.00000
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    232     -15.4417      2.00000
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    240     -15.3749      2.00000
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    270     -15.0503      2.00000
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   1525       5.8125      0.00000
   1526       5.8288      0.00000
   1527       5.8308      0.00000
   1528       5.8395      0.00000
   1529       5.8481      0.00000
   1530       5.8619      0.00000
   1531       5.8793      0.00000
   1532       5.8909      0.00000
   1533       5.8970      0.00000
   1534       5.9115      0.00000
   1535       5.9198      0.00000
   1536       5.9251      0.00000
   1537       5.9290      0.00000
   1538       5.9358      0.00000
   1539       5.9464      0.00000
   1540       5.9625      0.00000
   1541       5.9727      0.00000
   1542       5.9741      0.00000
   1543       5.9889      0.00000
   1544       5.9930      0.00000
   1545       6.0078      0.00000
   1546       6.0154      0.00000
   1547       6.0267      0.00000
   1548       6.0346      0.00000
   1549       6.0367      0.00000
   1550       6.0464      0.00000
   1551       6.0563      0.00000
   1552       6.0626      0.00000
   1553       6.0745      0.00000
   1554       6.0830      0.00000
   1555       6.0947      0.00000
   1556       6.0971      0.00000
   1557       6.1138      0.00000
   1558       6.1250      0.00000
   1559       6.1324      0.00000
   1560       6.1426      0.00000
   1561       6.1498      0.00000
   1562       6.1594      0.00000
   1563       6.1691      0.00000
   1564       6.1794      0.00000
   1565       6.1883      0.00000
   1566       6.1953      0.00000
   1567       6.2033      0.00000
   1568       6.2103      0.00000
   1569       6.2149      0.00000
   1570       6.2297      0.00000
   1571       6.2348      0.00000
   1572       6.2431      0.00000
   1573       6.2504      0.00000
   1574       6.2572      0.00000
   1575       6.2626      0.00000
   1576       6.2780      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.088  13.413  -0.001   0.001  -0.000   0.002  -0.005   0.000
 13.413  17.832  -0.001   0.002  -0.000   0.002  -0.006   0.000
 -0.001  -0.001  -4.233   0.003   0.001   8.280  -0.004  -0.001
  0.001   0.002   0.003  -4.234   0.001  -0.004   8.279  -0.001
 -0.000  -0.000   0.001   0.001  -4.226  -0.001  -0.001   8.270
  0.002   0.002   8.280  -0.004  -0.001 -18.324   0.007   0.002
 -0.005  -0.006  -0.004   8.279  -0.001   0.007 -18.321   0.000
  0.000   0.000  -0.001  -0.001   8.270   0.002   0.000 -18.314
 total augmentation occupancy for first ion, spin component:           1
  8.469  -3.816   0.179   0.153  -0.038   0.022   0.028  -0.006
 -3.816   1.792  -0.090  -0.103   0.021  -0.009  -0.017   0.003
  0.179  -0.090   1.773  -0.062  -0.041   0.168  -0.012  -0.008
  0.153  -0.103  -0.062   1.907  -0.087  -0.012   0.178  -0.012
 -0.038   0.021  -0.041  -0.087   1.227  -0.008  -0.012   0.081
  0.022  -0.009   0.168  -0.012  -0.008   0.018  -0.002  -0.001
  0.028  -0.017  -0.012   0.178  -0.012  -0.002   0.018  -0.001
 -0.006   0.003  -0.008  -0.012   0.081  -0.001  -0.001   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -51008.41833 94003.80185 24270.27627-10987.24651  6651.30502 20331.63439
  Hartree  4655.56595120868.51840 62256.55368-11410.33335  4595.27962 14636.93522
  E(xc)  -10735.71505-10588.52076-10631.08457     2.89402     8.18644    32.65449
  Local   12913.57014************************ 22394.23390-11264.62320-34380.87792
  n-local -5846.18808 -5979.85757 -6034.56664     3.82474    17.18344   -63.10492
  augment  1495.24925  1535.03072  1486.86170     4.68829    12.27769    -3.53792
  Kinetic 45517.96838 43231.00588 43669.39178   -29.34333   -75.86531  -562.29530
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -100.1090210   -403.2757586   -144.3338658    -21.2822399    -56.2562965     -8.5919599
  in kB      -16.6939806    -67.2494607    -24.0688274     -3.5489839     -9.3811877     -1.4327781
  external PRESSURE =     -36.0040896 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.234E+03 -.111E+03 0.251E+03   0.234E+03 0.112E+03 -.252E+03   -.458E-01 -.770E+00 0.148E+01   0.626E-04 -.278E-04 -.640E-04
   -.191E+03 -.137E+03 0.604E+02   0.190E+03 0.138E+03 -.599E+02   0.473E+00 -.114E+01 -.305E+00   -.488E-04 -.362E-04 0.587E-04
   -.165E+03 -.125E+03 0.326E+01   0.165E+03 0.126E+03 -.156E+01   0.181E+00 -.114E+01 -.166E+01   -.826E-04 -.371E-04 0.119E-03
   -.220E+03 -.980E+02 0.340E+03   0.220E+03 0.981E+02 -.343E+03   -.291E+00 -.753E-01 0.256E+01   0.207E-03 -.345E-04 -.272E-03
   -.166E+03 -.148E+03 0.302E+03   0.166E+03 0.148E+03 -.303E+03   0.248E+00 -.910E+00 0.968E+00   0.120E-03 -.746E-04 -.190E-03
   -.150E+03 -.110E+03 0.167E+03   0.150E+03 0.110E+03 -.167E+03   0.464E-01 -.113E+00 -.444E-01   -.579E-04 -.737E-04 0.300E-04
   -.237E+03 -.134E+03 0.179E+03   0.236E+03 0.138E+03 -.180E+03   0.638E+00 -.460E+01 0.822E+00   0.615E-04 -.135E-04 -.369E-04
   -.184E+03 -.114E+03 0.335E+02   0.184E+03 0.118E+03 -.353E+02   -.504E+00 -.403E+01 0.197E+01   -.686E-04 -.159E-04 0.465E-04
   -.108E+03 0.418E+01 0.195E+03   0.108E+03 -.412E+01 -.195E+03   0.152E+00 0.742E-01 -.347E-02   -.103E-03 -.597E-04 0.777E-04
   -.843E+02 0.867E+02 0.618E+02   0.838E+02 -.882E+02 -.605E+02   0.420E+00 0.144E+01 -.120E+01   -.105E-03 -.537E-04 0.198E-03
   -.938E+02 0.105E+03 0.137E+03   0.936E+02 -.106E+03 -.137E+03   0.187E+00 0.101E+01 0.906E-03   -.748E-04 -.143E-06 0.180E-03
   -.108E+03 -.160E+01 0.331E+03   0.108E+03 0.133E+01 -.332E+03   -.831E-01 0.451E+00 0.119E+01   -.335E-04 -.556E-04 -.492E-04
   -.113E+03 -.422E+02 0.362E+03   0.114E+03 0.431E+02 -.364E+03   -.143E+00 -.886E+00 0.231E+01   -.333E-04 0.203E-04 -.198E-04
   -.117E+03 0.206E+02 0.306E+03   0.117E+03 -.206E+02 -.307E+03   -.544E-01 0.181E+00 0.156E+01   -.698E-04 0.347E-04 0.104E-03
   -.110E+03 0.115E+03 0.266E+03   0.109E+03 -.119E+03 -.268E+03   0.512E+00 0.412E+01 0.214E+01   -.117E-04 0.504E-04 0.120E-03
   -.914E+02 0.118E+03 0.107E+03   0.913E+02 -.121E+03 -.110E+03   -.191E-01 0.297E+01 0.337E+01   -.733E-05 -.121E-04 0.136E-03
   -.742E+02 0.111E+03 0.556E+02   0.746E+02 -.107E+03 -.513E+02   -.285E+00 -.465E+01 -.411E+01   0.228E-04 -.148E-04 0.157E-05
   -.855E+01 0.206E+03 -.150E+03   0.801E+01 -.208E+03 0.152E+03   0.554E+00 0.172E+01 -.205E+01   0.902E-04 -.588E-04 -.117E-03
   0.283E+02 0.152E+03 -.199E+03   -.285E+02 -.152E+03 0.201E+03   0.245E+00 0.131E+00 -.184E+01   0.922E-04 0.230E-05 -.175E-03
   -.708E+02 0.115E+03 0.182E+03   0.719E+02 -.114E+03 -.185E+03   -.113E+01 -.989E+00 0.299E+01   -.780E-06 0.263E-04 0.204E-04
   -.164E+01 0.699E+02 -.747E+00   0.438E+00 -.714E+02 0.208E+01   0.125E+01 0.141E+01 -.128E+01   -.362E-04 -.309E-04 -.694E-04
   0.244E+01 0.130E+02 -.131E+03   -.237E+01 -.130E+02 0.132E+03   -.316E-01 0.276E+00 -.930E+00   0.575E-05 -.162E-04 -.162E-03
   -.375E+02 -.340E+02 -.177E+03   0.378E+02 0.343E+02 0.176E+03   -.362E+00 -.326E+00 0.787E+00   -.229E-04 -.135E-04 -.160E-03
   -.461E+02 -.706E+02 -.233E+03   0.473E+02 0.722E+02 0.232E+03   -.129E+01 -.155E+01 0.131E+01   0.104E-04 0.340E-04 -.100E-03
   -.261E+02 -.157E+03 -.341E+03   0.256E+02 0.158E+03 0.343E+03   0.562E+00 -.413E+00 -.191E+01   0.225E-04 0.433E-04 -.109E-04
   -.107E+03 -.165E+03 -.161E+03   0.108E+03 0.165E+03 0.159E+03   -.955E+00 -.328E+00 0.188E+01   -.260E-04 0.125E-04 -.125E-03
   -.940E+02 -.281E+03 -.194E+03   0.943E+02 0.282E+03 0.194E+03   -.374E+00 -.860E+00 0.250E+00   -.149E-04 0.398E-04 -.666E-04
   -.435E+02 -.264E+03 -.294E+03   0.434E+02 0.265E+03 0.295E+03   0.172E+00 -.121E+01 -.554E+00   0.253E-04 0.835E-04 -.921E-06
   -.497E+02 -.204E+02 -.222E+03   0.557E+02 0.283E+02 0.217E+03   -.600E+01 -.772E+01 0.498E+01   0.102E-03 0.400E-04 0.135E-04
   -.128E+01 0.523E+02 0.255E+02   -.398E+01 -.608E+02 -.206E+02   0.507E+01 0.851E+01 -.471E+01   -.131E-03 0.456E-04 -.330E-03
   -.211E+03 -.265E+02 -.438E+02   0.212E+03 0.266E+02 0.455E+02   -.370E+00 -.328E+00 -.170E+01   -.190E-04 -.569E-04 0.530E-04
   -.144E+03 -.149E+03 0.137E+03   0.144E+03 0.150E+03 -.137E+03   -.181E-01 -.124E+01 -.251E+00   -.369E-04 -.635E-04 0.959E-04
   -.153E+03 -.156E+03 0.186E+03   0.153E+03 0.157E+03 -.187E+03   0.199E+00 -.159E+01 0.109E+01   0.188E-04 -.120E-03 0.105E-03
   -.307E+03 0.812E+01 -.166E+03   0.307E+03 -.981E+01 0.169E+03   0.177E+00 0.178E+01 -.286E+01   0.838E-04 -.386E-04 0.281E-04
   -.297E+03 -.668E+02 -.186E+03   0.297E+03 0.669E+02 0.187E+03   -.283E-01 -.162E+00 -.113E+01   0.154E-03 -.993E-04 0.167E-04
   -.218E+03 -.715E+02 0.227E+01   0.218E+03 0.713E+02 -.232E+01   0.309E+00 0.405E-02 0.285E-01   0.105E-03 -.146E-03 0.399E-04
   -.122E+03 -.560E+02 -.781E+01   0.123E+03 0.601E+02 0.103E+02   -.982E+00 -.419E+01 -.266E+01   -.622E-04 -.561E-04 0.119E-03
   -.750E+02 -.144E+03 0.114E+03   0.753E+02 0.148E+03 -.111E+03   -.299E+00 -.318E+01 -.361E+01   -.645E-04 -.340E-04 0.176E-03
   -.193E+03 0.474E+02 -.420E+01   0.193E+03 -.477E+02 0.415E+01   0.132E+00 0.215E+00 0.136E+00   0.144E-03 -.145E-03 0.277E-04
   -.109E+03 0.554E+02 0.202E+03   0.109E+03 -.565E+02 -.204E+03   0.408E+00 0.105E+01 0.176E+01   0.123E-03 -.895E-04 0.558E-04
   -.819E+02 0.785E+02 0.112E+03   0.821E+02 -.798E+02 -.112E+03   -.169E+00 0.149E+01 0.302E+00   0.124E-03 -.517E-04 0.202E-04
   -.228E+03 0.892E+02 -.225E+03   0.228E+03 -.901E+02 0.226E+03   -.197E+00 0.101E+01 -.761E+00   0.190E-03 -.148E-03 -.162E-04
   -.187E+03 0.433E+02 -.301E+03   0.186E+03 -.435E+02 0.303E+03   0.291E+00 0.243E+00 -.228E+01   0.169E-03 -.189E-03 -.141E-03
   -.120E+03 0.579E+02 -.158E+03   0.120E+03 -.586E+02 0.160E+03   -.346E+00 0.100E+01 -.127E+01   0.138E-03 -.122E-03 -.115E-03
   -.648E+02 0.107E+03 -.919E+02   0.648E+02 -.112E+03 0.916E+02   0.130E+00 0.477E+01 -.461E+00   0.121E-03 -.374E-04 -.202E-03
   -.269E+02 0.858E+02 0.134E+03   0.264E+02 -.903E+02 -.132E+03   0.475E+00 0.438E+01 -.200E+01   0.978E-04 0.174E-04 0.592E-04
   0.221E+02 0.521E+02 0.995E+02   -.206E+02 -.465E+02 -.102E+03   -.147E+01 -.566E+01 0.193E+01   0.576E-04 0.686E-04 -.499E-04
   -.138E+02 0.133E+03 0.273E+03   0.148E+02 -.135E+03 -.275E+03   -.975E+00 0.126E+01 0.249E+01   0.310E-04 0.781E-04 0.529E-04
   -.410E+02 0.124E+03 0.235E+03   0.418E+02 -.124E+03 -.237E+03   -.901E+00 -.464E+00 0.198E+01   0.377E-04 0.482E-04 0.333E-04
   0.437E+02 0.743E+02 -.473E+02   -.447E+02 -.744E+02 0.504E+02   0.890E+00 0.488E-01 -.304E+01   0.663E-04 0.773E-04 -.145E-03
   0.635E+01 0.277E+02 0.337E+02   -.605E+01 -.287E+02 -.359E+02   -.388E+00 0.888E+00 0.222E+01   0.262E-04 0.195E-04 -.837E-04
   -.197E+02 0.149E+02 0.913E+02   0.202E+02 -.145E+02 -.922E+02   -.545E+00 -.230E+00 0.909E+00   0.189E-04 0.404E-04 -.468E-05
   -.776E+02 0.401E+01 0.418E+02   0.774E+02 -.415E+01 -.411E+02   0.244E+00 0.648E-01 -.543E+00   0.287E-04 0.246E-04 -.148E-04
   -.156E+03 -.125E+02 0.932E+02   0.155E+03 0.133E+02 -.916E+02   0.928E+00 -.778E+00 -.174E+01   0.585E-04 -.273E-06 0.907E-05
   -.247E+03 -.712E+02 0.164E+03   0.248E+03 0.713E+02 -.167E+03   -.135E+01 0.787E-01 0.301E+01   0.426E-04 -.539E-04 0.946E-06
   -.853E+02 -.109E+03 -.116E+03   0.849E+02 0.109E+03 0.118E+03   0.277E+00 0.556E+00 -.182E+01   -.654E-05 0.235E-04 -.494E-04
   -.114E+03 -.123E+03 -.162E+03   0.114E+03 0.124E+03 0.164E+03   0.691E+00 -.115E+01 -.286E+01   -.427E-04 0.358E-05 -.343E-05
   -.179E+03 -.534E+02 0.268E+02   0.178E+03 0.474E+02 -.246E+02   0.128E+01 0.615E+01 -.190E+01   -.187E-04 -.316E-04 0.264E-04
   -.196E+03 0.170E+02 0.141E+03   0.193E+03 -.110E+02 -.132E+03   0.307E+01 -.601E+01 -.841E+01   0.126E-03 -.122E-03 -.180E-03
   -.471E+02 0.190E+01 -.437E+02   0.486E+02 -.847E+01 0.350E+02   -.157E+01 0.652E+01 0.883E+01   0.935E-04 -.324E-04 -.104E-03
   -.357E+03 -.783E+02 0.862E+02   0.357E+03 0.789E+02 -.876E+02   0.514E-02 -.664E+00 0.133E+01   0.648E-03 0.968E-04 -.282E-04
   -.358E+03 -.106E+03 -.864E+02   0.357E+03 0.108E+03 0.871E+02   0.346E+00 -.976E+00 -.522E+00   0.548E-03 0.618E-04 -.220E-03
   -.333E+03 -.939E+02 -.135E+03   0.333E+03 0.949E+02 0.136E+03   -.104E+00 -.107E+01 -.156E+01   0.425E-03 0.272E-04 -.179E-03
   -.301E+03 -.655E+02 0.171E+03   0.302E+03 0.656E+02 -.173E+03   -.822E-01 -.284E+00 0.227E+01   0.624E-03 -.118E-04 0.385E-04
   -.248E+03 -.114E+03 0.128E+03   0.248E+03 0.114E+03 -.129E+03   0.194E+00 -.942E+00 0.850E+00   0.470E-03 -.307E-04 0.179E-04
   -.275E+03 -.813E+02 -.310E+01   0.275E+03 0.815E+02 0.315E+01   -.615E-01 -.110E+00 -.193E+00   0.392E-03 0.696E-04 -.457E-04
   -.370E+03 -.109E+03 0.101E+02   0.369E+03 0.114E+03 -.987E+01   0.527E+00 -.449E+01 0.723E+00   0.663E-03 0.140E-03 0.725E-04
   -.365E+03 -.101E+03 -.490E+02   0.366E+03 0.105E+03 0.457E+02   -.464E+00 -.403E+01 0.193E+01   0.518E-03 0.101E-04 -.352E-03
   -.228E+03 0.417E+02 0.190E+02   0.228E+03 -.417E+02 -.190E+02   0.366E-01 0.550E-01 -.454E-01   0.274E-03 0.103E-03 0.195E-04
   -.254E+03 0.116E+03 -.775E+02   0.254E+03 -.117E+03 0.787E+02   0.148E+00 0.155E+01 -.121E+01   0.230E-03 0.116E-03 -.799E-04
   -.250E+03 0.129E+03 -.226E+01   0.250E+03 -.130E+03 0.223E+01   0.142E+00 0.125E+01 0.880E-01   0.239E-03 0.701E-05 -.201E-04
   -.173E+03 0.408E+02 0.127E+03   0.173E+03 -.411E+02 -.128E+03   -.152E-01 0.461E+00 0.120E+01   0.250E-03 -.217E-05 0.180E-03
   -.167E+03 -.129E+02 0.136E+03   0.167E+03 0.139E+02 -.139E+03   -.195E+00 -.909E+00 0.258E+01   0.207E-03 -.140E-03 0.226E-03
   -.221E+03 0.312E+02 0.120E+03   0.221E+03 -.313E+02 -.121E+03   0.567E-01 0.310E+00 0.158E+01   0.221E-03 -.136E-03 0.117E-03
   -.238E+03 0.102E+03 0.109E+03   0.238E+03 -.106E+03 -.111E+03   0.405E+00 0.412E+01 0.218E+01   0.224E-03 -.163E-03 0.134E-03
   -.273E+03 0.143E+03 0.704E+02   0.273E+03 -.147E+03 -.740E+02   -.432E-01 0.320E+01 0.343E+01   0.269E-03 -.216E-04 -.609E-04
   -.262E+03 0.109E+03 0.976E+02   0.262E+03 -.104E+03 -.936E+02   0.337E+00 -.472E+01 -.385E+01   0.222E-03 -.149E-03 -.188E-04
   -.146E+03 0.201E+03 0.243E+02   0.145E+03 -.202E+03 -.227E+02   0.114E+01 0.143E+01 -.156E+01   0.175E-03 -.588E-04 -.114E-03
   -.784E+02 0.120E+03 0.498E+02   0.775E+02 -.120E+03 -.481E+02   0.878E+00 0.121E+00 -.187E+01   0.147E-03 -.178E-04 -.890E-04
   -.308E+03 0.940E+02 0.186E+03   0.310E+03 -.933E+02 -.189E+03   -.153E+01 -.853E+00 0.244E+01   0.234E-03 -.134E-03 0.646E-04
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   -.242E+03 -.972E+02 0.176E+03   0.269E+03 0.109E+03 -.221E+03   -.273E+02 -.114E+02 0.444E+02   -.139E-04 0.160E-03 -.916E-04
   -.302E+03 -.309E+03 0.910E+02   0.318E+03 0.338E+03 -.131E+03   -.159E+02 -.283E+02 0.397E+02   0.141E-03 0.232E-03 -.155E-03
   0.796E+02 -.476E+03 -.285E+03   -.904E+02 0.510E+03 0.325E+03   0.107E+02 -.338E+02 -.402E+02   0.292E-03 0.141E-03 0.129E-03
   -.398E+03 -.586E+02 -.350E+02   0.441E+03 0.354E+02 0.536E+02   -.425E+02 0.234E+02 -.188E+02   0.155E-03 0.922E-04 0.712E-04
   0.861E+03 -.561E+02 -.176E+03   -.905E+03 0.786E+02 0.157E+03   0.444E+02 -.225E+02 0.192E+02   -.118E-02 -.429E-03 0.152E-03
   0.456E+03 0.401E+03 0.315E+02   -.442E+03 -.429E+03 -.727E+02   -.138E+02 0.286E+02 0.411E+02   -.675E-03 -.271E-03 -.262E-03
   0.733E+03 0.292E+03 -.417E+03   -.750E+03 -.325E+03 0.456E+03   0.165E+02 0.330E+02 -.385E+02   -.145E-02 -.474E-03 0.146E-03
   0.388E+03 -.568E+02 -.621E+03   -.419E+03 0.694E+02 0.661E+03   0.314E+02 -.125E+02 -.400E+02   -.874E-04 -.300E-03 -.713E-04
   0.294E+01 -.398E+03 -.902E+02   0.252E+02 0.441E+03 0.773E+02   -.279E+02 -.432E+02 0.128E+02   0.301E-03 -.608E-04 -.354E-03
   0.244E+03 0.161E+03 0.130E+03   -.276E+03 -.167E+03 -.174E+03   0.315E+02 0.560E+01 0.435E+02   -.678E-05 -.195E-03 -.347E-03
   -.228E+03 -.174E+03 -.392E+03   0.267E+03 0.181E+03 0.426E+03   -.387E+02 -.689E+01 -.350E+02   0.105E-03 -.149E-03 -.342E-03
   0.246E+03 0.346E+03 -.225E+03   -.259E+03 -.394E+03 0.239E+03   0.135E+02 0.481E+02 -.141E+02   0.401E-03 0.715E-04 -.457E-03
   -.623E+02 -.643E+02 0.130E+03   0.850E+02 0.590E+02 -.179E+03   -.226E+02 0.544E+01 0.485E+02   0.496E-04 -.147E-03 -.152E-03
   -.247E+03 -.406E+03 0.408E+03   0.274E+03 0.436E+03 -.441E+03   -.271E+02 -.302E+02 0.338E+02   0.483E-04 -.113E-03 -.673E-04
   0.147E+03 -.488E+03 -.156E+03   -.165E+03 0.518E+03 0.193E+03   0.182E+02 -.304E+02 -.374E+02   0.108E-03 -.149E-03 -.158E-03
   -.247E+03 -.113E+03 0.222E+02   0.283E+03 0.844E+02 0.456E+01   -.361E+02 0.284E+02 -.270E+02   0.822E-04 -.214E-03 -.107E-03
   0.360E+02 -.188E+03 0.824E+03   -.598E+02 0.216E+03 -.864E+03   0.240E+02 -.278E+02 0.398E+02   -.346E-03 0.116E-03 -.784E-03
   -.163E+03 0.205E+03 0.599E+03   0.200E+03 -.234E+03 -.624E+03   -.368E+02 0.287E+02 0.248E+02   -.139E-03 0.503E-04 -.236E-03
   0.146E+03 0.394E+03 0.339E+03   -.183E+03 -.425E+03 -.324E+03   0.372E+02 0.312E+02 -.150E+02   -.771E-04 0.798E-04 -.270E-03
 -----------------------------------------------------------------------------------------------
   0.136E+02 -.334E+01 -.179E+02   -.847E-11 0.836E-11 0.301E-11   -.136E+02 0.335E+01 0.180E+02   0.872E-02 -.256E-02 -.477E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.07310      3.16936      1.34605         0.077718     -0.214043     -0.075194
     12.85164      3.58021      2.65343         0.094768      0.059897      0.161795
     12.83855      4.93552      3.00548        -0.077270      0.028758      0.036126
     13.11239      4.09672      0.31153         0.020941     -0.011457      0.068185
     12.98364      5.44588      0.64995         0.111746     -0.179443     -0.064776
     12.94430      5.91869      1.98586        -0.068697     -0.015752     -0.123416
     13.23875      1.68766      1.33243        -0.321583      0.216222      0.471613
     12.67170      2.35094      3.49223        -0.063725      0.027834      0.088079
     13.05184      7.39714      2.23480         0.026367      0.132176     -0.123683
     13.06328      7.98566      3.52219        -0.092876     -0.037328      0.080962
     13.31376      9.35539      3.65578        -0.035868     -0.020197      0.123318
     13.21889      8.28514      1.13719         0.029542      0.178494      0.104396
     13.44192      9.65999      1.27408        -0.045937      0.030337      0.061439
     13.51145     10.18785      2.56479         0.084009      0.217642      0.012017
     13.73927     11.58868      3.06069        -0.224679     -0.637857      0.580930
     13.39018     10.18420      4.89890        -0.083113     -0.141788      0.059300
     13.72586     12.65506      5.42494         0.088669      0.010930      0.191964
     13.45679     12.53794      6.80024         0.016023     -0.280799     -0.043769
     13.47414     13.65125      7.64129         0.063286     -0.162845     -0.015145
     14.08614     13.94734      5.00140        -0.071041     -0.235415     -0.057311
     14.10746     15.05880      5.86385         0.043523     -0.047768      0.048180
     13.79850     14.96690      7.27013         0.039554      0.202747     -0.092849
     13.86910     16.08223      8.32097         0.021978      0.019029      0.143782
     13.27898     16.07205      9.64263        -0.086844      0.082887      0.202489
     13.35806     17.19730     10.48837         0.052060      0.175138     -0.112302
     14.55647     17.29287      8.04547         0.029640     -0.073410      0.171542
     14.55099     18.43489      8.85130        -0.047084     -0.090925     -0.032196
     13.92826     18.40427     10.09270         0.064506     -0.042428     -0.098423
     12.46925     14.96593     10.30324         0.041013      0.126508      0.077818
     14.68989     16.27596      5.18164        -0.197501      0.022582      0.242372
      9.76344      3.85553      4.76765         0.013585     -0.208798      0.020278
      9.73399      4.77872      3.73236        -0.050286      0.104530     -0.221457
      9.82028      6.15597      3.99310        -0.007206      0.105471     -0.006312
      9.90411      4.25823      6.08884         0.070489      0.090855     -0.102745
      9.96468      5.62408      6.35146         0.037698     -0.054382      0.078298
      9.93253      6.61560      5.33665         0.000756     -0.154890     -0.027901
      9.52117      2.49369      4.23226         0.113642     -0.075834     -0.186761
      9.59289      4.00509      2.44034         0.076350      0.083901     -0.075363
     10.00812      8.06497      5.72622         0.047339     -0.005009      0.084702
     10.08222      9.11091      4.77641         0.089859     -0.098556     -0.154302
     10.21017     10.42545      5.21022        -0.046921      0.202855     -0.188500
      9.98847      8.45154      7.09280        -0.070059      0.111843      0.045742
     10.04137      9.78482      7.52212         0.132202      0.022308     -0.114991
     10.19393     10.77158      6.55336        -0.027056      0.327857      0.161672
     10.27413     12.26600      6.66829         0.142604     -0.580647     -0.723769
     10.32352     11.68472      4.41612         0.052916     -0.117042     -0.496419
     10.76828     14.12673      4.94171         0.014100     -0.050846     -0.167887
     11.26986     14.44542      3.67343         0.003997      0.066255     -0.026431
     11.66428     15.75339      3.37362        -0.029690     -0.092151     -0.114275
     10.64668     15.20990      5.82289        -0.139112     -0.063498      0.007745
     11.00989     16.53786      5.50081        -0.084468     -0.123847      0.018604
     11.56249     16.89086      4.20350         0.002865      0.109340     -0.013262
     12.01486     18.28780      3.69879         0.094757     -0.067305      0.151018
     12.58446     18.69240      2.42753         0.168792     -0.041599     -0.112380
     12.89650     20.03915      2.15611         0.106572      0.132692     -0.006476
     11.92169     19.38662      4.58067        -0.059355      0.025917      0.026323
     12.19738     20.72610      4.31369         0.025925      0.095421     -0.146574
     12.64957     21.09807      3.03790        -0.027905      0.123051      0.274531
     13.02729     17.81836      1.24666        -0.180503     -0.053007      0.049775
     10.79641     17.45302      6.70236        -0.079635     -0.049287      0.129962
     10.41717      7.08487     14.67110         0.041573     -0.025600     -0.116696
     10.31281      7.48814     15.99572         0.138858      0.401157      0.165161
     10.35428      8.85482     16.34954        -0.023463     -0.078448      0.186968
     10.42472      8.04097     13.65108         0.177864     -0.191232      0.125164
     10.36296      9.39503     14.00123         0.153221     -0.084785      0.054781
     10.39572      9.86711     15.34535        -0.007547      0.014222     -0.140922
     10.50291      5.58673     14.62933        -0.351483      0.622507      0.905705
     10.15147      6.24080     16.83869         0.257681      0.263422     -1.393140
     10.47823     11.37536     15.60096         0.070425      0.028280     -0.015257
     10.51365     11.98398     16.89146         0.045931      0.021595      0.056792
     10.65634     13.38307     17.01593         0.008644     -0.106923      0.054385
     10.56754     12.27314     14.49448         0.069494      0.100337      0.160275
     10.71320     13.66261     14.62210        -0.032645      0.016139      0.155889
     10.76390     14.21422     15.90476         0.063251      0.190168      0.056028
     10.90528     15.64827     16.36378        -0.145818     -0.582711      0.338212
     10.69501     14.26453     18.24235        -0.076378     -0.116321     -0.099296
     10.71799     16.80695     18.67563        -0.039381     -0.133164      0.092618
     10.11007     16.75519     19.93525         0.059490     -0.093958     -0.010402
      9.93273     17.91108     20.70588         0.051944     -0.084967     -0.176320
     11.18235     18.08850     18.31357         0.015999     -0.193493     -0.049600
     11.04794     19.24809     19.11769         0.228057     -0.007520     -0.188906
     10.39426     19.21315     20.42560        -0.022530      0.029386     -0.123280
     10.14835     20.34915      0.19993        -0.012805     -0.127533      0.012262
      9.51453     20.30239      1.51160        -0.052034      0.005926     -0.016479
      9.30398      0.19301      2.30347        -0.008706      0.109760     -0.135563
     10.54497      0.40516     21.15728        -0.141495      0.261464     -0.003097
     10.27203      1.56447      0.63970         0.155433      0.140760     -0.133864
      9.67809      1.48950      1.90311        -0.098728     -0.101926     -0.050127
      8.85451     19.10692      2.17255         0.301249     -0.053740     -0.001860
     11.75528     20.42974     18.41817        -0.071166      0.054176      0.247186
      7.24697      7.65271     17.43169        -0.059760     -0.171752     -0.042650
      7.16978      8.58557     16.40213        -0.132780      0.012199     -0.098241
      7.13556      9.96362     16.67454         0.045699     -0.051434     -0.073217
      7.37632      8.05480     18.75530         0.100532      0.075027     -0.113375
      7.39985      9.42609     19.01671        -0.051263     -0.036262     -0.035291
      7.25890     10.42487     18.01440         0.071795     -0.118627      0.054123
      6.96091      6.29877     16.87820         0.257379      0.339719     -0.333304
      7.02582      7.80836     15.11077         0.080022      0.010338     -0.009908
      7.23481     11.88059     18.42850         0.014421      0.008989      0.012697
      7.22453     12.96926     17.51410         0.056742     -0.013729     -0.076206
      7.21740     14.28549     17.99394        -0.007398      0.049484     -0.227154
      7.26281     12.22039     19.80693        -0.032369      0.158188      0.032572
      7.27139     13.53632     20.28170         0.108058     -0.004745     -0.148798
      7.22281     14.56823     19.35240        -0.017870      0.344473      0.137358
      7.18716     16.05330     19.54631         0.069984     -0.210598     -0.624239
      7.27497     15.59903     17.26240         0.048893     -0.060206     -0.098459
      7.53503     18.04958     17.95973         0.048561     -0.052258     -0.062510
      8.27768     18.42167     16.84120         0.073242      0.082671     -0.066486
      8.62081     19.75556     16.62302         0.065357     -0.083233     -0.039537
      7.12502     19.11375     18.78276        -0.063738     -0.062751     -0.106761
      7.43569     20.48251     18.53173        -0.146335     -0.225345      0.070901
      8.24424     20.87894     17.38536         0.199971      0.178928     -0.158653
      8.78009      1.01562     16.91221        -0.038218     -0.064018      0.007521
      9.43257      1.37090     15.65140         0.246439      0.530577      0.289906
      9.88094      2.70029     15.41258        -0.078659      0.098777     -0.056022
      8.67532      2.13336     17.77001         0.050423     -0.077372      0.020558
      9.15910      3.43274     17.54512         0.016771     -0.329589      0.006821
      9.74739      3.76589     16.31952         0.241857     -0.012576     -0.151823
      9.89552      0.52375     14.46329         0.218673     -0.690316     -0.107056
      6.76052      0.12298     19.57767        -0.120127     -0.100748     -0.200469
      6.93560     10.86679      6.13426         0.007157     -0.273243     -0.035249
      6.81776     11.29936      7.44543         0.035198      0.036670      0.185519
      6.87550     12.66684      7.77688         0.006431      0.028026      0.157927
      7.17120     11.78490      5.11190        -0.041690      0.005950      0.035024
      7.25126     13.14196      5.45030        -0.083816     -0.163230     -0.029250
      7.08158     13.64912      6.76689        -0.005358     -0.197266     -0.028812
      6.93039      9.36900      6.10848        -0.080536      0.001700      0.231783
      6.77689     10.06120      8.31206        -0.003498      0.052195      0.039114
      7.17828     15.14425      7.00883         0.052591      0.075899     -0.064428
      7.09748     15.77761      8.27769         0.010269     -0.026508      0.143532
      7.23793     17.17537      8.38638        -0.062263     -0.120016      0.076086
      7.42253     16.00871      5.90491        -0.081969      0.070082      0.131933
      7.48429     17.39835      6.00411        -0.027467      0.050053      0.041877
      7.37795     17.98008      7.26599        -0.036921      0.206889      0.074707
      7.54431     19.40720      7.69286        -0.007797      0.093458      0.216567
      7.40038     18.05822      9.59568         0.018606      0.028867     -0.175512
      7.62978     20.59233      9.99057         0.044387     -0.035462      0.113557
      7.17840     20.57716     11.31610         0.069088     -0.091177     -0.088223
      7.15337      0.48179     12.08093        -0.017821     -0.103062     -0.055720
      8.17525      0.57218      9.58964         0.058081     -0.013836     -0.015108
      8.24500      1.72383     10.42768         0.147823     -0.271181     -0.325184
      7.66032      1.75115     11.75548        -0.026472      0.060227      0.071042
      7.49739      2.90392     12.78496        -0.240026     -0.364146      0.427853
      6.86554      2.85090     14.12046         0.402301     -0.020268     -0.314601
      6.69883      3.99495     14.91162         0.029047      0.414834      0.054611
      7.93689      4.20905     12.50109        -0.153756      0.376411      0.075838
      7.73550      5.36396     13.28374         0.184701     -0.027454     -0.016277
      7.12899      5.28902     14.54123        -0.060720     -0.105244      0.018046
      6.27201      1.65656     14.86119        -0.052352     -0.361646     -0.123032
      9.14828      2.79129      9.81770        -0.072746     -0.278220      0.075505
      4.22147     11.50426     10.63896        -0.024981     -0.224240     -0.134220
      3.96344     12.36099      9.57988        -0.027291      0.063293     -0.141816
      4.00122     13.74813      9.72971         0.076158      0.065103     -0.174402
      4.56047     12.02671     11.88431         0.029062     -0.045579     -0.102063
      4.57762     13.41655     12.04540         0.071736      0.028581     -0.153329
      4.31165     14.32581     10.98274         0.123784     -0.115924     -0.027446
      3.87159     10.10951     10.22461        -0.050112      0.184219     -0.349470
      3.50775     11.54166      8.41375         0.012742      0.022594      0.053115
      4.35677     15.81705     11.19205         0.099125      0.115725      0.082795
      4.05516     16.77634     10.18352        -0.029283     -0.032574     -0.241102
      4.13228     18.14468     10.47362        -0.082420      0.139705     -0.097005
      4.76959     16.33079     12.44811         0.020575      0.110632      0.030220
      4.79770     17.69319     12.75183         0.037809     -0.031235      0.002089
      4.43603     18.58888     11.75421        -0.101307      0.277851      0.000124
      4.30238     20.06745     11.79251         0.017127      0.245975      0.194439
      4.02171     19.37098      9.59969        -0.053037      0.086904     -1.105651
      4.35981      0.64542     10.06048        -0.020794      0.054623     -0.138449
      4.79575      0.99824      8.77811         0.065190     -0.163282      0.127258
      5.28092      2.27998      8.52863        -0.051009     -0.228106      0.080011
      4.23846      1.73726     10.93733         0.077053      0.144045      0.001751
      4.74190      3.05077     10.67197        -0.114197     -0.121363      0.118995
      5.38560      3.37836      9.41669         0.099474      0.168471     -0.077939
      5.99672      4.73653      8.89075         0.081764      0.044626      0.119418
      6.49075      5.03406      7.56087         0.099777      0.013817     -0.121908
      6.82370      6.34517      7.13030         0.012929      0.227695      0.043599
      5.98498      5.91519      9.67374         0.024736     -0.173651     -0.060182
      6.25079      7.21971      9.24468         0.008921      0.141445      0.033964
      6.63600      7.50424      7.92459         0.018541      0.058209      0.027707
      6.64777      3.99386      6.45230        -0.118730      0.144676      0.066033
      4.30349      3.92422     11.85934        -0.074940     -0.202773     -0.015996
      0.92383     14.19190      0.91132        -0.042858     -0.232372      0.069750
      1.56074     14.62693      2.07059        -0.127083      0.064797     -0.105058
      1.58980     16.01484      2.37791         0.154166     -0.167301      0.264784
      0.47267     15.08669     21.20347        -0.043653     -0.003244      0.004723
      0.58437     16.44674      0.21963        -0.029670     -0.123968      0.210406
      1.06001     16.97348      1.45621        -0.207254     -0.085101     -0.142800
      0.84633     12.70877      0.91427        -0.193646     -0.111056     -0.405343
      2.16784     13.36060      2.70236        -0.191931      0.284140     -0.215365
      0.95061     18.48921      1.64613         0.067763      0.066514      0.040740
      1.31077     19.22859      2.81189         0.084433     -0.069369     -0.046749
      1.18110     20.63148      2.81718         0.029914     -0.137440      0.134821
      0.46237     19.27173      0.55870        -0.057583      0.135708     -0.040418
      0.27773     20.65799      0.58909        -0.014517     -0.208972      0.146700
      0.62822      0.07070      1.75426        -0.083147      0.269290     -0.236415
      0.56167      1.52978      2.07292         0.196317     -0.035586      0.140594
      1.62531      0.39599      3.82114        -0.042514     -0.051447     -0.002534
      1.36230      2.94325      4.06275         0.008045     -0.171067      0.127237
      1.95893      2.98727      5.32961        -0.138514     -0.070509     -0.290327
      2.08027      4.19496      5.99990         0.089135     -0.097650      0.066639
      0.84820      4.17582      3.61163         0.076645     -0.076879     -0.054849
      0.95774      5.38781      4.33734        -0.035546     -0.161199     -0.121338
      1.67306      5.48361      5.59409        -0.006802      0.003648     -0.109250
      2.05265      6.70679      6.46148        -0.188755     -0.017217     -0.144246
      2.52332      6.67431      7.81520        -0.022642     -0.171507      0.267496
      2.94492      7.79796      8.53589         0.163502      0.211129      0.076939
      2.02643      8.04421      5.99084         0.138101      0.164273     -0.039187
      2.49988      9.17975      6.68218        -0.086265      0.119441     -0.115916
      3.00044      9.08315      7.99683         0.044005      0.098892      0.118854
      2.79982      5.43918      8.62517         0.162475      0.082679     -0.008121
      0.17161      6.49270      3.65687         0.213517      0.085825     -0.134332
      4.65965     14.08322      0.68895         0.025989     -0.056003      0.008598
      4.06431     14.97561     -0.20125         0.065558      0.274299      0.168952
      4.09005     16.37525      0.05042        -0.120578     -0.090383     -0.103429
      5.31805     14.55987      1.82049        -0.011760      0.082868      0.030752
      5.30564     15.93476      2.07733        -0.018138     -0.162507     -0.195780
      4.68118     16.90245      1.24515        -0.036246      0.053037      0.014197
      4.49059     12.68004      0.20132        -0.179878      0.105011     -0.092410
      3.48756     14.12495     19.93403         0.061687      0.050056      0.483433
      4.72524     18.37991      1.70742        -0.009594     -0.043038     -0.012779
      4.15958     19.51157      1.04601        -0.057012      0.130389     -0.072701
      4.33561     20.82315      1.56467        -0.079732     -0.161021     -0.061846
      5.41325     18.68052      2.91745        -0.087944      0.235187     -0.027883
      5.60269     19.97045      3.42572        -0.015976      0.036821      0.031012
      5.06454     21.04908      2.72296        -0.018188      0.118264      0.075210
      5.14756      1.26605      2.98627        -0.056263      0.071389     -0.084920
      3.86482      0.92226      1.08196        -0.090969     -0.098495     -0.194941
      4.03205      3.39555      1.94611         0.026420      0.017032      0.003523
      3.11698      3.99016      1.04509         0.109776     -0.089887      0.062465
      2.87690      5.37815      1.00989         0.054122      0.058819     -0.110768
      4.57548      4.33041      2.85830        -0.004858      0.286096     -0.022367
      4.26910      5.73144      2.83364        -0.148278     -0.130433     -0.460274
      3.45803      6.38538      1.83167        -0.020849     -0.006550      0.054092
      3.11824      7.94388      1.69501        -0.199386     -0.100785     -0.079302
      2.01530      8.52593      0.95299        -0.205535      0.195339      0.152581
      1.63918      9.88338      1.06825        -0.141201     -0.252823     -0.149056
      3.79123      8.98588      2.40982        -0.142945      0.046370     -0.138007
      3.36177     10.32341      2.59846        -0.120646     -0.147320     -0.016053
      2.23272     10.82054      1.91813         0.195392      0.246373      0.157554
      1.01536      7.80323      0.05697         0.055975      0.084262     -0.057610
      4.91356      6.48695      3.95217        -0.112223      0.149825     -0.093115
     18.06220     17.34783     13.67549        -0.121637     -0.147940      0.031734
     19.07746     17.81263     14.50341         0.049952     -0.046903      0.174443
     19.34221     19.18021     14.65152         0.033366      0.001476      0.078317
     17.33094     18.24640     12.89298         0.175318     -0.069951      0.104041
     17.63985     19.60960     12.99933        -0.094241     -0.072233      0.079374
     18.59054     20.13596     13.91782        -0.087796     -0.196992     -0.060591
     17.99116     15.85272     13.78641         0.664959      0.414695      0.290611
     19.74870     16.61566     15.12503         0.221872      0.087197      0.085260
     18.71483      0.36524     14.13047        -0.079698      0.057977      0.033090
     19.65992      0.94870     15.01560         0.041052     -0.052810      0.074927
     19.61872      2.32297     15.27843         0.142358     -0.024646      0.131391
     17.79784      1.25386     13.50819         0.027471      0.034327      0.046248
     17.78528      2.63166     13.73939         0.073743      0.102813      0.038294
     18.70812      3.15350     14.64210         0.013554      0.368422      0.062108
     18.93402      4.56597     15.09297         0.375402     -0.459177      0.246469
     20.41305      3.16822     16.24355         0.051237     -0.235500      0.112525
     20.62442      5.67735     16.68289        -0.062232      0.226817      0.199422
      0.67376      5.65232     17.16709        -0.217088     -0.186904     -0.183613
      1.26840      6.81085     17.65271         0.249180     -0.030086      0.101684
     19.95852      6.90094     16.89596        -0.076016     -0.274991     -0.062638
     20.55134      8.05055     17.47212         0.038735      0.019313      0.039618
      0.70093      8.08340     17.84479        -0.257032      0.099587     -0.133397
      1.57907      9.23574     18.43274         0.272285     -0.027481      0.221589
      2.94216      9.17208     18.96509        -0.133452      0.211451     -0.082903
      3.59042     10.31762     19.51616         0.243529     -0.111453      0.010671
      1.06164     10.54641     18.57828        -0.195150     -0.118879     -0.302962
      1.70908     11.66147     19.12093        -0.074901     -0.003908      0.104458
      3.00226     11.57862     19.64380         0.078389      0.476425     -0.008027
      4.04099      8.09142     18.89065        -0.475698     -0.073805      0.020212
     19.49999      9.12447     17.75531         0.307520     -0.038534      0.070349
      1.93314     18.22127     14.13337        -0.062930     -0.256188     -0.252994
      1.21139     19.13950     13.37363        -0.137603      0.145935     -0.151172
      1.28559     20.51647     13.62264         0.017842      0.140558      0.107112
      2.81570     18.65911     15.11997        -0.274187      0.089748     -0.097816
      2.88994     20.03485     15.37713        -0.165933      0.009716     -0.002166
      2.11462     21.00863     14.67733        -0.052204     -0.200941      0.027113
      1.62394     16.83766     13.64651        -0.528386      0.703575     -0.167595
      0.44442     18.37235     12.31873         0.132143     -0.015939      0.325495
      2.24237      1.21887     15.00819         0.008735     -0.015493      0.137054
      1.67370      2.23947     14.20428        -0.125484     -0.198005     -0.016636
      1.92277      3.57858     14.49480        -0.129956      0.159167     -0.291080
      2.99162      1.66169     16.13310         0.101104      0.079308     -0.025690
      3.35100      3.00315     16.33640         0.016888      0.063114     -0.037802
      2.83665      3.96170     15.46688         0.087930      0.300805     -0.011179
      3.09491      5.43419     15.28646        -0.241672     -0.120589      0.002258
      1.38520      4.81325     13.84791        -0.777039     -0.006932     -0.909849
      1.60573      7.30556     14.35760        -0.374271     -0.035453     -0.133821
      0.30353      7.58941     13.93506        -0.173234     -0.038251     -0.022883
     21.01527      8.86588     14.07928         0.019275     -0.152360     -0.008375
      2.33388      8.42567     14.79861         0.018216     -0.109979     -0.052803
      1.79021      9.72900     14.92654         0.108795      0.038282     -0.133931
      0.40160     10.02720     14.55575         0.169127      0.109723     -0.050933
     20.88471     11.37477     14.55554        -0.075742     -0.067303      0.143503
     19.50628     11.66187     14.16114        -0.225942     -0.074234      0.011552
     18.96074     12.96506     14.23150         0.044560      0.119994      0.204780
      0.28126     12.55262     14.97627        -0.030519      0.033463     -0.014779
     -0.26003     13.84059     15.07017         0.088202      0.070486      0.046777
     19.67733     14.09497     14.66459         0.285669      0.138151      0.118519
     18.43631     10.67243     13.65871         0.135891      0.065380      0.051468
      2.90495     10.69621     15.36950         0.089747     -0.087250      0.041827
     16.17135      0.42498      5.23629         0.018586     -0.259647     -0.119379
     16.87610      0.83019      6.35900         0.205772      0.029524      0.114005
     16.91412      2.18302      6.74586         0.021790     -0.015352      0.134550
     15.44709      1.33662      4.49029         0.144300      0.026825      0.045541
     15.49985      2.67896      4.86446         0.010532     -0.116032     -0.104547
     16.22813      3.16499      5.97170        -0.021971     -0.089186      0.031983
     16.44541     20.24842      4.94827         0.184729      0.162427      0.209133
     17.58831     20.86405      6.88447        -0.104370      0.102870     -0.162487
     16.23676      4.65898      6.22143        -0.065460      0.093964      0.022715
     16.96692      5.29901      7.25162        -0.026442     -0.109861      0.191648
     16.89893      6.69227      7.41182         0.068539     -0.096746      0.188686
     15.47603      5.52298      5.38567         0.085540      0.051103      0.051178
     15.47860      6.91507      5.49668         0.070666     -0.042936      0.000757
     16.21334      7.50060      6.52010         0.013293      0.216281      0.025721
     16.47053      8.93596      6.85581         0.048682      0.009718      0.133876
     17.47463      7.58365      8.47251        -0.126193      0.017113     -0.102346
     17.74071     10.11847      8.74764         0.048453     -0.025855      0.226232
     18.79477     10.01839      9.66024        -0.099091     -0.175609     -0.002074
     19.35724     11.15677     10.22300         0.004531     -0.031352      0.107388
     17.26844     11.43112      8.54199        -0.119543     -0.128825     -0.046204
     17.82498     12.57617      9.16798        -0.061298     -0.101179     -0.172177
     18.95629     12.48783     10.06283         0.026048     -0.040264     -0.038230
     19.75294     13.57765     10.79514         0.172598     -0.096946      0.121721
     21.04971     13.47041     11.45022         0.014998     -0.089365     -0.136945
      0.43474     14.59403     11.99831        -0.085184      0.183449     -0.093980
     19.24361     14.88709     10.88932         0.034686      0.141880      0.007949
     19.91248     16.01469     11.38306        -0.190357      0.180688      0.023561
     21.16900     15.88814     11.98287         0.048841      0.220908     -0.017951
      0.79024     12.30852     11.50409        -0.078728     -0.091194      0.080398
     17.03971     13.82684      8.82108         0.158194     -0.057889      0.019175
     20.36310      1.38517      6.14477        -0.105515     -0.229037     -0.011234
     19.77916      2.42456      5.41881        -0.054041     -0.060308     -0.026530
     19.76863      3.72947      5.87596        -0.141952      0.124096      0.111948
     20.89115      1.62802      7.40826        -0.124883      0.150289     -0.143367
     20.78585      2.93108      7.91539         0.019643     -0.019448      0.084047
     20.25421      4.02375      7.17716        -0.091821     -0.159292     -0.007696
     20.22915      0.12567      5.34153         0.112917      0.228224      0.172655
     19.18263      1.85432      4.16870         0.051132      0.144130      0.093773
     20.28463      5.43444      7.68115        -0.005306      0.062694     -0.059503
     19.89525      6.48586      6.82879        -0.161716      0.000697     -0.228428
     20.19242      7.80528      7.14384        -0.042374      0.288961     -0.161044
     -0.47650      5.81819      8.94745         0.057753      0.146991      0.099938
     -0.10153      7.13848      9.23517        -0.072621      0.063808      0.162466
     20.89544      8.12934      8.28997         0.078720      0.346991      0.045269
     -0.04136      9.58876      8.23803         0.403868      0.504693      0.471495
     19.92406      9.06699      6.38774        -0.577089      0.170455     -0.705037
     20.40077     11.54825      6.75417        -0.110439      0.032373     -0.033107
     19.49320     11.96961      5.76686        -0.023220     -0.036324      0.070306
     19.21700     13.32604      5.59132        -0.066086     -0.118275     -0.083964
     21.07692     12.59770      7.42095         0.022335     -0.071307     -0.041261
     20.83768     13.97432      7.18359         0.096216     -0.143729     -0.055791
     19.82878     14.42041      6.24442         0.007191     -0.037322     -0.061365
     19.33290     15.84001      5.95725        -0.022472     -0.030628     -0.056421
     18.52782     16.30148      4.84796        -0.038692      0.183111     -0.067811
     18.00120     17.61485      4.81096        -0.018725      0.157443      0.061798
     19.56245     16.86876      6.90087        -0.048884      0.059496      0.064141
     18.96092     18.12626      6.92959        -0.023002      0.095607     -0.078260
     18.11023     18.53064      5.88349         0.086336     -0.029963      0.174247
     18.00326     15.45095      3.68713         0.175286      0.173967      0.025047
      0.57932     14.86927      7.91649         0.021025     -0.153689     -0.159872
     12.72826      5.21064      4.05726        -0.035558      0.007340     -0.062296
     13.22093      3.78598     20.52834        -0.014913      0.014555      0.064918
     12.92589      6.14653     21.08178         0.105581      0.059054     -0.048571
     12.87159      7.39307      4.42044        -0.003304      0.038156     -0.069141
     13.17587      7.90255      0.12193         0.050157     -0.010557     -0.064238
     13.54729     10.28721      0.38441         0.039126      0.002384      0.118628
     13.29173     13.41687      8.67623         0.007832      0.000636      0.157260
     13.28665     11.55592      7.24783        -0.109161      0.176588     -0.121433
     14.38878     14.09041      3.96740        -0.130665      0.007552      0.077575
     12.91880     17.14362     11.48403        -0.022357     -0.020062     -0.137772
     15.12312     17.40145      7.14007        -0.009933     -0.076635      0.071624
     15.00977     19.35536      8.46415         0.027885     -0.226759      0.144744
      9.79235      6.86894      3.16557        -0.050673     -0.085372     -0.007386
      9.89921      3.53567      6.90011         0.077410      0.040081     -0.092088
      9.97170      5.90898      7.40481         0.200482      0.044328     -0.098189
     10.03682      8.90150      3.70839         0.044400      0.030800     -0.054759
      9.86609      7.70539      7.87562         0.053253     -0.079049     -0.043160
      9.94996     10.03721      8.58230         0.091809     -0.037924     -0.067543
     12.10345     15.83494      2.39238        -0.017732      0.134189      0.020841
     11.37429     13.68763      2.89676         0.079102      0.075038      0.120465
     10.22934     15.00760      6.80440         0.165959      0.048864      0.001299
     13.38522     20.28957      1.21954        -0.174618     -0.112768     -0.052856
     11.58393     19.24158      5.59003         0.094208     -0.033447     -0.096100
     12.04454      0.18976      5.11661        -0.012839     -0.039959     -0.207319
     10.31783      9.11297     17.41320         0.023963      0.027708     -0.089048
     10.48695      7.74163     12.59897        -0.068938      0.051139      0.137861
     10.30727     10.09644     13.17020         0.056008      0.040730      0.056895
     10.41900     11.38006     17.80011         0.060340      0.060002     -0.076126
     10.54367     11.89856     13.47281         0.000426     -0.071351      0.024686
     10.77891     14.29460     13.73312         0.024869     -0.040213      0.028175
      9.39386     17.71819      0.35436        -0.058346      0.036054      0.067999
      9.79000     15.80766     20.37431        -0.035043      0.125206     -0.173891
     11.67639     18.20386     17.35113        -0.097396     -0.075362      0.098788
      8.80795      0.08462      3.26713         0.177617      0.003274     -0.175573
     11.11014      0.58847     20.26311         0.011465      0.039914     -0.214773
     10.54407      2.52953      0.20191         0.021047     -0.145026      0.138892
      6.97368     10.66419     15.85674         0.052929      0.043350     -0.094346
      7.38068      7.32950     19.57242         0.102104      0.045522     -0.095613
      7.42703      9.71161     20.06496         0.180298      0.045770      0.042112
      7.26403     12.79419     16.43904        -0.065656      0.015041     -0.068913
      7.24138     11.45293     20.57478         0.092443     -0.117750     -0.028558
      7.33393     13.74296      0.09218        -0.032335     -0.047916     -0.069453
      9.26921     19.87550     15.77269         0.108116      0.154377     -0.029158
      8.63180     17.68494     16.12674         0.073251     -0.036281     -0.007938
      6.51780     18.86547     19.65036         0.145601      0.102095     -0.034379
     10.32127      2.94500     14.43981        -0.071720     -0.198034      0.369560
      8.16991      2.01016     18.72009         0.110435     -0.050342      0.088291
      9.08370      4.14202     18.35668        -0.183995      0.242942      0.060963
      6.78911     12.97029      8.81996         0.022706     -0.056527      0.068585
      7.35558     11.46289      4.07998        -0.128523      0.016244      0.158746
      7.51201     13.81597      4.63949        -0.103271      0.080264     -0.072082
      6.95261     15.18847      9.18370         0.059353     -0.014777      0.067191
      7.64473     15.59369      4.92721        -0.157440     -0.063908     -0.129772
      7.71780     17.99994      5.12349        -0.086410     -0.025838      0.102065
      6.70150      0.32444     13.03504        -0.160080      0.031428      0.112885
      6.83226     19.66357     11.79795         0.053914      0.006937     -0.170684
      8.59447      0.64169      8.58508        -0.083342      0.012266      0.171609
      6.21060      3.87575     15.87666         0.174259      0.149182     -0.165552
      8.49604      4.39818     11.60214         0.012824     -0.018333     -0.287060
      8.09883      6.32068     12.89977        -0.042472     -0.132898      0.025514
      3.70603     14.37044      8.88975         0.188722      0.040248     -0.117413
      4.72025     11.37586     12.74218         0.123055      0.010861     -0.165459
      4.73990     13.78497     13.05671         0.107950      0.060906     -0.002081
      3.76872     16.47669      9.17273         0.029876     -0.050807      0.027148
      5.07781     15.65839     13.24218         0.035458     -0.139792      0.033154
      5.11722     18.04276     13.73861        -0.042213     -0.076767     -0.148386
      5.58136      2.35746      7.50939         0.152885      0.114789     -0.036157
      4.78017      0.27393      7.96155         0.108350      0.055326      0.082408
      3.71813      1.58719     11.88023         0.240496     -0.087431     -0.030396
      7.23075      6.43999      6.12578        -0.218447      0.116743      0.081328
      5.64418      5.87802     10.69234         0.128581     -0.119135      0.026133
      6.11196      8.01771      9.97528         0.051124     -0.094864     -0.102128
      2.03489     16.33821      3.32700        -0.061713     -0.015668     -0.124616
      0.08240     14.76195     20.22939        -0.013053     -0.046239      0.322970
      0.25901     17.10797     20.68321        -0.061888      0.045060     -0.001679
      1.70323     18.73654      3.70387         0.031793     -0.024693     -0.010042
      0.20540     18.80224     20.87316        -0.028564     -0.051058     -0.001752
     -0.10812     -0.07436     20.97451        -0.009545      0.033214      0.022198
      2.55183      4.03411      6.94136         0.050391      0.121289     -0.055064
      2.31318      2.08818      5.83450         0.014090      0.101371     -0.191597
      0.30576      4.19161      2.66716         0.063743     -0.010960      0.160519
      3.24098      7.68287      9.57673        -0.011344      0.000070     -0.261793
      1.66833      8.25301      4.98803        -0.009512     -0.063230     -0.091504
      2.42661     10.15537      6.19677         0.091366     -0.156300     -0.023740
      3.64778     17.04876     20.57087        -0.055904     -0.011764      0.030929
      5.83251     13.88678      2.51491        -0.145313      0.012458     -0.116316
      5.84315     16.25097      2.96361        -0.035468     -0.002511      0.126634
      3.58318     19.38542      0.12701         0.043163      0.028700     -0.032018
      5.89445     17.88863      3.48261        -0.078552     -0.017136      0.056642
      6.20576     20.11049      4.32992        -0.202628      0.082347     -0.080186
      2.12523      5.64927      0.28957         0.025882      0.062390     -0.266885
      2.53321      3.37337      0.36728         0.060617     -0.036335     -0.126876
      5.24751      3.97579      3.64228        -0.161322      0.066481     -0.125917
      0.81046     10.21577      0.45198         0.057682     -0.049387      0.200872
      4.72317      8.78368      2.91173         0.188332     -0.129982     -0.020632
      3.92460     10.94522      3.29745         0.057691      0.017490     -0.189037
     20.14095     19.49741     15.32130        -0.033581     -0.027905      0.135828
     16.56304     17.89727     12.19422         0.074423      0.056829      0.086494
     17.09901     20.28007     12.33438        -0.047812      0.072745      0.027756
     20.43587      0.33986     15.47859        -0.051614     -0.023146      0.185420
     17.04653      0.87067     12.82428        -0.078731     -0.100187     -0.049408
     17.06409      3.28456     13.24121         0.028832     -0.067611      0.001614
      2.27672      6.64064     17.96853         0.102270      0.158191     -0.134707
      1.24922      4.72688     17.15038        -0.054172      0.125326      0.101011
     18.90676      6.94876     16.63387         0.019981      0.077089     -0.065446
      4.62399     10.17660     19.84834        -0.382523      0.233487      0.013573
      0.05937     10.75165     18.21670         0.087745     -0.031766      0.061412
      1.14648     12.58713     19.15710        -0.015815      0.148987     -0.053520
      0.70303     21.20477     12.99929         0.057475     -0.123350      0.083675
      3.44431     17.93956     15.65069        -0.082086      0.104951      0.105264
      3.60370     20.34294     16.14183        -0.045692      0.137512     -0.037217
      1.06197      1.99484     13.33773        -0.108919      0.019216     -0.054002
      3.40603      0.95454     16.85347        -0.106798     -0.095775     -0.102600
      4.04039      3.27653     17.14213        -0.153505     -0.056726     -0.055880
     19.97936      8.90044     13.78793         0.008194      0.101877      0.025624
     20.94986      6.80309     13.48887        -0.030060      0.142057      0.194068
      3.38539      8.28219     15.02312        -0.059621     -0.014646      0.173043
     17.92262     13.12693     13.95601         0.057791     -0.156809     -0.135773
      1.33358     12.50787     15.21095        -0.061746      0.007381      0.112608
      0.40377     14.62932     15.43677        -0.237623     -0.109367     -0.140324
     17.51559      2.47328      7.60843        -0.032274     -0.021557      0.079235
     14.88111      1.01072      3.62093         0.191920      0.026372      0.007796
     14.96404      3.37416      4.22987         0.010906      0.078577     -0.033543
     17.62988      4.71870      7.89189        -0.143924     -0.001387      0.234427
     14.85967      5.11188      4.59375         0.020874     -0.059059     -0.069376
     14.89880      7.52016      4.80191         0.185428     -0.022875      0.027746
     20.19147     10.94547     10.85738        -0.040110      0.004222      0.077664
     19.21744      9.05507      9.95338        -0.236144      0.162127     -0.076937
     16.42650     11.56420      7.86237         0.169651      0.054187      0.092906
      1.41638     14.45680     12.42612        -0.034067      0.057821      0.087207
     18.23747     15.07159     10.55172        -0.129440      0.067426     -0.058993
     19.42913     16.98884     11.26982         0.074425     -0.146213      0.123762
     19.37736      4.48975      5.20142        -0.106161      0.061223      0.105207
      0.12153      0.82953      7.96872        -0.096288      0.044217      0.103698
     -0.07543      3.09502      8.91256        -0.003816      0.121005      0.118501
     19.40175      6.27872      5.88652        -0.066184      0.004194      0.045305
     -0.31422      5.08275      9.72942         0.058834     -0.139916      0.020777
      0.40794      7.36636     10.17660        -0.162583      0.010576     -0.034790
     18.40674     13.49156      4.89937         0.058604      0.093641      0.024273
     18.96343     11.24808      5.14144         0.028939      0.125576      0.217165
      0.59386     12.33355      8.13245        -0.143982      0.005783     -0.065281
     17.38014     17.89030      3.95767         0.130838     -0.053016      0.165616
     20.22480     16.68973      7.73051        -0.086163     -0.110652      0.108365
     19.17906     18.78259      7.77669        -0.086436     -0.100169     -0.210052
     13.86275     19.28869     10.73685         0.076096     -0.157304     -0.054147
     19.24152     21.09384      3.46158         0.090413      0.238039      0.277200
     12.85121      1.21478      2.64513         0.040739      0.085200     -0.049545
     13.64350     11.53323      4.51913         0.103000      0.086526     -0.386602
      9.53884      2.61197      2.78791         0.058120      0.019674      0.184390
     10.47593     12.76844      5.32503        -0.146527      0.033451      0.114622
     10.13935      5.12016     15.94863        -0.047690     -0.194092      0.034369
     10.79692     15.63226     17.80546         0.078565      0.198301     -0.046851
      7.05160      6.40478     15.44954        -0.079480      0.162148     -0.047785
      7.29282     16.64856     18.24298        -0.121767     -0.088456      0.065331
      6.77574      8.89267      7.46003        -0.071785      0.178320     -0.012706
      7.53591     19.42283      9.13793         0.014135     -0.113158     -0.216151
      3.49119     10.16969      8.81299         0.009668      0.056295      0.057419
      4.12301     20.53549     10.45108        -0.028548     -0.307874      0.153891
      1.73893     12.21028      1.91960         0.103819     -0.043822     -0.266950
      1.20067      1.69927      3.35190        -0.101010     -0.027567     -0.197223
      3.65499     12.73411     20.30066        -0.157679     -0.281638     -0.060591
      4.32395      1.94243      2.00169         0.074022      0.121223      0.135314
     19.13710     15.43977     14.58628        -0.217724     -0.016206     -0.095914
     20.02462      4.53302     16.04298        -0.315714     -0.067523     -0.118780
      0.61980     16.98223     12.60801         0.218731     -0.219204      0.129282
      2.05740      5.93805     14.41391         0.220070     -0.036653      0.158662
     17.40664     19.79868      5.91148         0.144489      0.041778      0.032919
     17.21764      8.95036      8.08133        -0.058004     -0.109799     -0.091355
     19.50096      0.49411      4.20468        -0.115852     -0.190749     -0.327362
     20.57084     10.14660      7.07089         0.133127     -0.105779      0.274331
     12.41949      2.31521      4.68844         0.009180      0.059873      0.039353
     13.67205      1.00780      0.43053         0.205262     -0.368242     -0.507798
     13.21917      9.77206      6.03407         0.026086     -0.112803      0.261717
     13.93222     12.58248      2.40059         0.142411      0.514321     -0.318560
      9.54480      4.43950      1.29966         0.026791      0.037957      0.034774
      9.32820      1.46446      4.85013         0.115659     -0.011973      0.094507
     10.27087     11.78090      3.19307         0.012895     -0.015387      0.111252
     10.15136     12.93865      7.66374        -0.033798      0.446074      0.638051
     10.05481      6.16843     18.03371        -0.094958      0.016591      1.699392
     10.87495      4.90289     13.71008         0.249874     -0.670334     -0.923702
     10.63464     13.90262     19.40283         0.022438     -0.101372      0.286146
     11.06761     16.63780     15.68103         0.027055      0.340614     -0.244676
      6.89980      8.24308     13.98074         0.060495      0.090386     -0.157514
      6.64585      5.30228     17.48957         0.046815     -0.573363      0.492463
      7.32496     15.76595     16.05511        -0.087631      0.010787     -0.221597
      7.06980     16.66865     20.58344        -0.016469      0.302782      0.572788
      6.80705     10.03767      9.52982         0.029862      0.041401      0.292343
      7.08710      8.67026      5.12787         0.036780     -0.197447     -0.138430
      7.47431     17.70072     10.75367        -0.012687     -0.124760      0.454464
      7.67831     20.38805      6.98391        -0.097926      0.074707     -0.070146
      3.17447     11.94678      7.31553        -0.018783      0.160117     -0.430554
      3.84160      9.11577     10.92411         0.071996     -0.174636      0.164057
      3.93506     19.40551      8.37168        -0.037534     -0.038181      0.832082
      4.30856     20.78205     12.78363         0.011255     -0.298362     -0.258698
      2.92412     13.31012      3.64394         0.355061     -0.166277      0.539865
      0.11498     12.05205      0.18215         0.075221      0.169229      0.204866
      2.26858      0.19319      4.83052         0.248359     -0.103861      0.330260
      0.06592      2.42050      1.40610        -0.021805     -0.008858     -0.120889
      2.99359     14.49963     18.89578        -0.390016      0.269247     -0.614267
      4.98261     11.67159      0.68278         0.072320     -0.172584      0.006701
      3.20185      1.13785      0.08593        -0.249575      0.163325     -0.346876
      5.81906      1.80821      3.84286         0.061122      0.131930      0.076215
     -0.59290     16.63088     15.93551        -0.052202      0.022436     -0.028948
     17.14887     15.11910     13.32509        -0.455110     -0.456280     -0.258282
     -0.06300      2.76849     17.09126         0.042914      0.053852     -0.033252
     18.33515      5.55907     14.74503        -0.265395      0.547528     -0.172581
     21.08319     18.80561     11.36574        -0.247953      0.232312     -0.135358
      2.08872     15.78641     14.03324         0.281208     -0.386475      0.231453
      0.51194      4.86558     12.97390         0.490091     -0.052475      0.677201
      4.02416      6.09720     15.70507         0.006128      0.122270      0.229526
     18.19077     20.75916      7.93379         0.228579     -0.004349      0.343817
     15.97189     19.58101      4.05032        -0.109215     -0.255561     -0.427020
     18.01021      7.23170      9.50384         0.107766     -0.123058      0.427714
     16.16505      9.92398      6.21326        -0.097851      0.129259     -0.095708
     18.52397      2.39705      3.29866        -0.100185      0.223144     -0.161655
     20.64551     20.25858      5.55571         0.142332     -0.212469      0.181742
     19.23704      9.19058      5.37584         0.222421     -0.137129      0.476770
      0.65958     10.22319      9.02371        -0.662914     -0.628887     -0.673368
     14.02757     17.45933      5.36249        -0.071846     -0.147330      0.025386
     15.94643     16.48412      5.68813         0.185878     -0.087914     -0.024339
     14.82590     16.14281      3.84354        -0.045635      0.021226     -0.032803
     11.90566     15.36035     11.49844        -0.047853     -0.139960     -0.149873
     11.43114     14.54754      9.53600        -0.090529     -0.153277     -0.078649
     13.21994     13.86202     10.64209         0.005771     -0.075258     -0.029720
     11.96150     17.93929      7.21815         0.000901      0.040475     -0.007442
     10.01830     18.55245      6.44447        -0.227571     -0.000352     -0.026119
     10.17020     16.82437      7.75366         0.217284      0.141170     -0.157033
     13.27339     18.54388      0.11126         0.177696     -0.053843      0.128606
     14.16823     17.12511      1.51099         0.068625     -0.020030      0.021712
     12.09455     16.89436      0.84830         0.000577     -0.003682     -0.070601
     11.01483      0.32355     18.32951        -0.122243     -0.106515     -0.004882
     12.90643     -0.46866     19.05650         0.175643     -0.126028      0.175903
     12.10180     20.16048     17.12393         0.101134     -0.030412      0.177392
      8.49855     19.33864      3.48064        -0.087376     -0.013129     -0.187673
      7.72106     18.79527      1.48983        -0.278155     -0.246246     -0.135707
      9.58326     17.94777      2.26002         0.064227      0.055797     -0.036487
      7.61100      0.85055     20.36117         0.189653      0.027968     -0.074975
      5.89013      1.01567     19.01623         0.037976      0.095724     -0.193229
      6.00780     20.66122     20.47796         0.126262      0.196090     -0.218899
     10.07918      1.26605     13.32989         0.135158     -0.113599      0.055280
     11.12447     -0.04003     14.74976        -0.159336      0.064557     -0.041137
      9.10713     20.73614     14.03792         0.224097      0.249456      0.133817
      8.57803      4.01548      9.59093        -0.079915      0.065333      0.010876
     10.22184      3.01949     10.62579         0.247924      0.053279      0.084837
      9.64813      2.42031      8.59154         0.168144     -0.002673      0.389351
      6.06811      1.89534     16.19826        -0.101411     -0.021213     -0.183349
      5.07524      1.27693     14.34848        -0.054934      0.139393      0.150992
      7.01742      0.50793     14.85197         0.008345      0.039389      0.163131
      4.92430      5.10151     12.13983        -0.057200     -0.042701     -0.118333
      2.96695      4.21792     11.73403        -0.024542     -0.160764      0.139276
      4.40414      3.22921     13.03615        -0.125419      0.136873     -0.231284
      7.20772      4.47008      5.29842         0.033635     -0.063800      0.343715
      7.42623      2.94883      6.85501         0.171132     -0.083468     -0.138956
      5.44538      3.46180      6.03997         0.054933      0.136294     -0.009976
     -0.58356      7.24166      4.48229        -0.192979      0.148891      0.340416
      0.98144      7.41491      3.04755         0.009915     -0.190809      0.118855
     -0.70439      6.01880      2.72197         0.056172     -0.009358      0.199224
      3.23200      5.71696      9.88668        -0.142990     -0.004326     -0.355003
      1.80400      4.52558      8.80665        -0.151416     -0.081484     -0.013033
      3.80646      4.76347      7.98853        -0.140557      0.073666      0.180226
      6.12970      6.97129      3.54087        -0.047180     -0.107836      0.048112
      4.18522      7.53665      4.44648         0.098657     -0.092561     -0.067104
      5.09451      5.71562      5.04060         0.062428     -0.116743      0.114017
      0.07849      8.64880     20.77496         0.058061     -0.486869      0.260830
      1.59992      7.17864     -1.00901         0.371501     -0.200517      0.109910
      0.32595      6.82031      0.67082        -0.436254     -0.153000      0.152562
     19.43446      9.39608     19.09406        -0.172649      0.041847     -0.072205
     19.71909     10.32335     17.12645         0.103816      0.129948     -0.113261
     18.25111      8.76045     17.35477        -0.168031     -0.003014      0.256364
      4.87483      8.17263     19.97431         0.046689     -0.110508      0.187470
      3.78068      6.75448     18.81250         0.012925      0.032739      0.288973
      4.76628      8.37065     17.77811         0.054514      0.019566     -0.302434
      3.34796     11.46118     14.32004        -0.143202      0.071079      0.050324
      2.60310     11.57935     16.36405        -0.145375     -0.104579      0.051087
      4.02882     10.05059     15.83779        -0.288035      0.143137     -0.235943
     17.30782     11.28747     13.18889         0.040992     -0.007422      0.244516
     18.84137      9.89500     12.60478         0.008323     -0.048754     -0.015917
     18.02748      9.81089     14.63884        -0.006865      0.019727      0.059168
     16.22457     14.17712      9.86861        -0.149602      0.082716      0.033000
     17.77706     14.93667      8.52325         0.227664      0.035830     -0.056930
     16.24675     13.65077      7.72958         0.060481     -0.008505      0.068804
      1.79372     12.53779     12.41238        -0.144626     -0.127134     -0.199891
      0.36055     11.05059     11.84720         0.098510      0.174818      0.130049
      1.38515     12.18409     10.29396         0.056646      0.097967      0.063216
      1.27613     15.66461      7.04722        -0.052748      0.080483     -0.100872
      0.06741     15.70980      8.87775        -0.022097     -0.101603     -0.070787
      1.50698     14.13929      8.59956        -0.020120      0.223886     -0.261181
     17.41740     16.18794      2.70091         0.181088     -0.010473      0.015347
     18.96084     14.70006      3.06444         0.188452      0.019370     -0.003441
     17.02659     14.57037      4.10854         0.064208     -0.026752     -0.199747
 -----------------------------------------------------------------------------------
    total drift:                                0.001064      0.010772      0.008713


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4570.7587409186 eV

  energy  without entropy=    -4570.9090143927  energy(sigma->0) =    -4570.80883208
 
 d Force = 0.6462622E+00[ 0.108E+00, 0.118E+01]  d Energy = 0.6463089E+00-0.467E-04
 d Force = 0.8754296E+03[ 0.872E+03, 0.879E+03]  d Ewald  = 0.8754303E+03-0.759E-03


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.646309  1 .order   -0.646262   -1.184482   -0.108042
  (g-gl).g = 0.384E+01      g.g   = 0.379E+01  gl.gl    = 0.407E+01
 g(Force)  = 0.379E+01   g(Stress)= 0.000E+00 ortho     =-0.714E-02
 gamma     =   0.94208
 trial     =   0.31286
 opt step  =   0.34426  (harmonic =   0.34426) maximal distance =0.04846321
 next E    = -4570.764116   (d E  =  -0.65168)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   59(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.5466119E-02  (-0.5455949E+00)
 number of electron    2498.0000106 magnetization 
 augmentation part      162.7306897 magnetization 

  free energy =  -0.457075326744E+04  energy without entropy=  -0.457090346398E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   59(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3528
 total energy-change (2. order) :-0.1107436E-01  (-0.1374640E-01)
 number of electron    2498.0000106 magnetization 
 augmentation part      162.7341212 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8856
  0.8856

  free energy =  -0.457076434179E+04  energy without entropy=  -0.457091433713E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   59(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3640
 total energy-change (2. order) : 0.3697051E-03  (-0.2977798E-03)
 number of electron    2498.0000106 magnetization 
 augmentation part      162.7328835 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4102
  1.1072  1.7132

  free energy =  -0.457076397209E+04  energy without entropy=  -0.457091416310E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   59(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) :-0.1819905E-03  (-0.2312784E-03)
 number of electron    2498.0000106 magnetization 
 augmentation part      162.7319257 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2871
  2.2044  0.8796  0.7773

  free energy =  -0.457076415408E+04  energy without entropy=  -0.457091413350E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   59(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3528
 total energy-change (2. order) :-0.4190410E-04  (-0.4948080E-04)
 number of electron    2498.0000106 magnetization 
 augmentation part      162.7320421 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2664
  2.3446  0.9269  0.9269  0.8670

  free energy =  -0.457076419598E+04  energy without entropy=  -0.457091439073E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   59(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3480
 total energy-change (2. order) : 0.2060438E-04  (-0.2012309E-04)
 number of electron    2498.0000106 magnetization 
 augmentation part      162.7321356 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2165
  2.4149  1.1031  1.1031  0.7308  0.7308

  free energy =  -0.457076417538E+04  energy without entropy=  -0.457091425365E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   59(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3136
 total energy-change (2. order) :-0.1432025E-05  (-0.8249181E-05)
 number of electron    2498.0000106 magnetization 
 augmentation part      162.7321356 magnetization 

  free energy =  -0.457076417681E+04  energy without entropy=  -0.457091434276E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0481       2 -56.1245       3 -56.0349       4 -55.8332       5 -55.8158
       6 -56.2863       7 -58.1777       8 -58.2039       9 -56.2579      10 -55.9400
      11 -56.0109      12 -55.7878      13 -55.8087      14 -55.9998      15 -58.1467
      16 -58.0410      17 -56.3756      18 -54.9961      19 -54.8981      20 -55.1341
      21 -55.6624      22 -55.6426      23 -55.6716      24 -55.6162      25 -54.9826
      26 -54.7828      27 -54.9406      28 -54.9437      29 -60.3959      30 -60.3855
      31 -55.6592      32 -55.8129      33 -55.7101      34 -55.3307      35 -55.4822
      36 -55.9749      37 -57.8138      38 -57.9903      39 -56.0503      40 -55.7529
      41 -55.8746      42 -55.6663      43 -55.7080      44 -55.8718      45 -58.1162
      46 -58.0887      47 -56.4502      48 -55.1304      49 -54.9488      50 -55.2818
      51 -55.9020      52 -55.8634      53 -55.7639      54 -55.7349      55 -55.0877
      56 -54.8465      57 -55.0032      58 -56.3642      59 -60.3626      60 -60.6171
      61 -55.9446      62 -55.9874      63 -55.8931      64 -55.7582      65 -55.7274
      66 -56.2119      67 -58.1205      68 -58.1213      69 -56.2106      70 -55.8754
      71 -55.9775      72 -55.6947      73 -55.6655      74 -55.9150      75 -58.0882
      76 -58.0917      77 -56.4313      78 -55.1029      79 -54.9558      80 -55.2433
      81 -55.8662      82 -55.8645      83 -55.8787      84 -55.9006      85 -55.2260
      86 -55.0426      87 -55.2000      88 -56.4354      89 -60.6910      90 -60.4381
      91 -55.7095      92 -55.8300      93 -55.7206      94 -55.4930      95 -55.5349
      96 -56.0391      97 -57.8795      98 -57.9851      99 -56.1490     100 -55.8629
     101 -55.9995     102 -55.6628     103 -55.7233     104 -55.9355     105 -58.1233
     106 -58.1635     107 -56.4575     108 -55.1336     109 -54.9699     110 -55.3969
     111 -55.9769     112 -55.8913     113 -55.8119     114 -55.8331     115 -55.1220
     116 -54.9525     117 -55.0497     118 -56.3591     119 -60.4301     120 -60.6301
     121 -55.9335     122 -55.9786     123 -55.8374     124 -55.7504     125 -55.7381
     126 -56.1539     127 -58.0520     128 -58.1577     129 -56.0972     130 -55.7515
     131 -55.8591     132 -55.6374     133 -55.5806     134 -55.8017     135 -57.9030
     136 -57.9885     137 -56.4157     138 -55.0667     139 -54.8766     140 -55.2598
     141 -55.8660     142 -55.8325     143 -55.9299     144 -55.8960     145 -55.2126
     146 -55.1259     147 -55.2460     148 -56.4557     149 -60.5459     150 -60.6055
     151 -55.6208     152 -55.6399     153 -55.4802     154 -55.3412     155 -55.4171
     156 -55.8781     157 -57.9464     158 -57.8229     159 -55.9939     160 -55.7362
     161 -55.9069     162 -55.5220     163 -55.5887     164 -55.8129     165 -57.9731
     166 -58.0772     167 -56.4498     168 -55.0568     169 -54.8395     170 -55.3034
     171 -55.9225     172 -55.8923     173 -55.8522     174 -55.7791     175 -55.3311
     176 -54.8539     177 -55.0483     178 -56.4930     179 -60.4909     180 -60.6280
     181 -55.9019     182 -56.0586     183 -55.9199     184 -55.6847     185 -55.6660
     186 -56.2156     187 -58.0013     188 -58.1888     189 -56.2267     190 -55.8484
     191 -55.9879     192 -55.7147     193 -55.7067     194 -55.9321     195 -58.0671
     196 -58.1436     197 -56.5153     198 -55.0905     199 -54.9447     200 -55.2899
     201 -55.9034     202 -55.9371     203 -55.9080     204 -55.8706     205 -55.1466
     206 -55.2245     207 -55.1873     208 -56.4561     209 -60.7414     210 -60.4947
     211 -55.9224     212 -56.0334     213 -55.9125     214 -55.7236     215 -55.6602
     216 -56.1933     217 -58.0699     218 -58.1671     219 -56.0865     220 -55.7678
     221 -55.8588     222 -55.5391     223 -55.4727     224 -55.7787     225 -57.9560
     226 -58.0363     227 -56.5426     228 -55.1201     229 -55.0257     230 -55.2900
     231 -55.7815     232 -55.8976     233 -55.8972     234 -55.7051     235 -54.9778
     236 -55.0763     237 -55.1948     238 -56.4409     239 -60.3617     240 -60.3830
     241 -55.9506     242 -55.9886     243 -55.8565     244 -55.7448     245 -55.7341
     246 -56.1701     247 -58.1042     248 -58.0912     249 -56.1542     250 -55.8253
     251 -55.9431     252 -55.7036     253 -55.7054     254 -55.8793     255 -58.0000
     256 -58.0162     257 -56.3199     258 -55.0180     259 -54.7927     260 -55.1745
     261 -55.7628     262 -55.7683     263 -55.8827     264 -55.9208     265 -55.3383
     266 -54.9700     267 -55.1563     268 -56.4171     269 -60.6362     270 -60.3655
     271 -55.8955     272 -55.9613     273 -55.8122     274 -55.7044     275 -55.6609
     276 -56.0902     277 -58.1305     278 -58.1134     279 -55.9533     280 -55.6563
     281 -55.7677     282 -55.5181     283 -55.5060     284 -55.7950     285 -58.0646
     286 -57.9566     287 -56.4218     288 -55.0242     289 -54.9331     290 -55.2657
     291 -55.9043     292 -55.8607     293 -55.8472     294 -55.8459     295 -55.2094
     296 -54.9549     297 -55.0620     298 -56.4231     299 -60.4539     300 -60.5890
     301 -55.8456     302 -55.9835     303 -55.8770     304 -55.5846     305 -55.6092
     306 -56.1117     307 -58.0392     308 -58.2057     309 -56.1274     310 -55.7967
     311 -55.9334     312 -55.6524     313 -55.6289     314 -55.8632     315 -57.9763
     316 -58.0474     317 -56.4014     318 -55.0100     319 -54.7814     320 -55.2421
     321 -55.7921     322 -55.7310     323 -55.8652     324 -55.8989     325 -55.2095
     326 -55.0736     327 -55.2313     328 -56.4402     329 -60.5910     330 -60.4275
     331 -55.7672     332 -55.7878     333 -55.6883     334 -55.6083     335 -55.5816
     336 -56.0438     337 -57.9466     338 -57.9307     339 -55.9245     340 -55.5856
     341 -55.7510     342 -55.5313     343 -55.5361     344 -55.7743     345 -57.9805
     346 -57.9328     347 -56.4751     348 -55.0207     349 -54.9501     350 -55.2661
     351 -55.8452     352 -55.8268     353 -55.7831     354 -55.7729     355 -55.2357
     356 -54.9033     357 -55.0275     358 -56.4475     359 -60.4858     360 -60.5692
     361 -39.0956     362 -38.8194     363 -39.0042     364 -39.0271     365 -39.0003
     366 -38.7459     367 -38.1619     368 -38.0163     369 -38.0824     370 -38.0965
     371 -38.1543     372 -38.1547     373 -38.7257     374 -38.3080     375 -38.6590
     376 -38.8052     377 -38.8369     378 -38.7470     379 -38.1363     380 -38.1039
     381 -38.2534     382 -38.0619     383 -38.2193     384 -37.9711     385 -38.8190
     386 -38.7613     387 -38.8800     388 -38.8160     389 -38.8405     390 -38.5403
     391 -38.2572     392 -38.1756     393 -38.1779     394 -38.1271     395 -38.2887
     396 -38.2542     397 -38.7484     398 -38.4437     399 -38.7482     400 -38.8668
     401 -38.7889     402 -38.7711     403 -38.2090     404 -38.1866     405 -38.3859
     406 -38.0292     407 -38.1293     408 -38.0690     409 -38.7534     410 -38.7300
     411 -38.9886     412 -38.7159     413 -38.9329     414 -38.6070     415 -38.2551
     416 -38.2258     417 -38.1137     418 -38.1545     419 -38.3405     420 -38.3192
     421 -38.5403     422 -38.2950     423 -38.5556     424 -38.6861     425 -38.6200
     426 -38.6166     427 -38.2567     428 -38.0377     429 -38.3284     430 -38.2627
     431 -38.0964     432 -37.9737     433 -38.7212     434 -38.6449     435 -38.9453
     436 -38.6985     437 -38.9552     438 -38.6891     439 -38.4462     440 -38.1057
     441 -38.1581     442 -38.1509     443 -38.2752     444 -38.0704     445 -38.8269
     446 -38.7661     447 -38.9416     448 -38.6987     449 -38.8059     450 -38.3287
     451 -38.1582     452 -38.0211     453 -38.1057     454 -37.9294     455 -38.1510
     456 -38.1505     457 -38.8900     458 -38.6809     459 -38.8720     460 -38.8722
     461 -38.8965     462 -38.6814     463 -38.1574     464 -38.2048     465 -38.1582
     466 -38.3699     467 -38.0701     468 -38.2725     469 -38.8331     470 -38.7488
     471 -38.7188     472 -38.7836     473 -38.5622     474 -38.4295     475 -38.1907
     476 -38.0051     477 -38.2147     478 -38.1476     479 -38.1819     480 -37.9423
     481 -38.8462     482 -38.7367     483 -38.8877     484 -38.8351     485 -38.9341
     486 -38.7453     487 -38.1579     488 -38.1221     489 -38.1594     490 -38.3232
     491 -38.2737     492 -38.3002     493 -38.8149     494 -38.5790     495 -38.6709
     496 -38.7173     497 -38.5664     498 -38.4885     499 -38.1723     500 -37.8981
     501 -38.1567     502 -38.1186     503 -38.1495     504 -37.9398     505 -38.2143
     506 -41.0658     507 -71.6535     508 -71.5599     509 -71.4017     510 -71.5855
     511 -71.4623     512 -71.5275     513 -71.3794     514 -71.5702     515 -71.5624
     516 -71.4148     517 -71.3659     518 -71.5357     519 -71.5680     520 -71.6191
     521 -71.4929     522 -71.4748     523 -71.5166     524 -71.4608     525 -71.5357
     526 -71.4861     527 -71.5899     528 -71.4904     529 -71.2443     530 -71.5347
     531 -76.8500     532 -76.8888     533 -76.6777     534 -76.8792     535 -76.6243
     536 -76.5118     537 -76.7253     538 -76.8609     539 -76.8622     540 -76.8703
     541 -76.7355     542 -76.7799     543 -76.6348     544 -76.6139     545 -76.8179
     546 -76.8420     547 -76.8051     548 -76.7371     549 -76.6499     550 -76.5600
     551 -76.4933     552 -76.6674     553 -76.6430     554 -76.6426     555 -76.7992
     556 -76.6837     557 -76.7942     558 -76.7447     559 -76.8206     560 -76.7717
     561 -76.6534     562 -76.6133     563 -76.7166     564 -76.8356     565 -76.6361
     566 -76.7098     567 -76.7725     568 -76.8838     569 -76.5427     570 -76.7708
     571 -76.8796     572 -76.7387     573 -76.7134     574 -76.6422     575 -76.5594
     576 -76.5771     577 -76.5215     578 -76.5423     579 -82.2799     580 -82.3635
     581 -82.3712     582 -82.2818     583 -82.3365     584 -82.3010     585 -82.4856
     586 -82.5725     587 -82.4886     588 -82.2117     589 -82.1872     590 -82.3119
     591 -82.3451     592 -82.2355     593 -82.3397     594 -82.6552     595 -82.6577
     596 -82.6142     597 -82.5677     598 -82.4711     599 -82.5193     600 -82.3357
     601 -82.0876     602 -82.2570     603 -82.6054     604 -82.4783     605 -82.5568
     606 -82.4504     607 -82.3465     608 -82.4788     609 -82.7438     610 -82.3615
     611 -82.4126     612 -82.4517     613 -82.4044     614 -82.2780     615 -82.5862
     616 -82.3735     617 -82.3540     618 -82.6923     619 -82.8366     620 -82.6895
     621 -82.2274     622 -82.3334     623 -82.4582     624 -82.1932     625 -82.3650
     626 -82.3129     627 -82.1614     628 -82.2963     629 -82.3341     630 -82.4875
     631 -82.6062     632 -82.4750     633 -82.4922     634 -82.5302     635 -82.3982
     636 -82.3100     637 -82.3824     638 -82.2782     639 -82.2714     640 -82.3814
     641 -82.3840     642 -82.4064     643 -82.5233     644 -82.4758     645 -82.4361
     646 -82.4913     647 -82.5237     648 -82.3641     649 -82.3925     650 -82.3373
 
 
 
 E-fermi :  -1.4607     XC(G=0):  -6.4969     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.1769      2.00000
      2     -28.9855      2.00000
      3     -28.9616      2.00000
      4     -28.9324      2.00000
      5     -28.9184      2.00000
      6     -28.8787      2.00000
      7     -28.8601      2.00000
      8     -28.8578      2.00000
      9     -28.8554      2.00000
     10     -28.8241      2.00000
     11     -28.8119      2.00000
     12     -28.8034      2.00000
     13     -28.8002      2.00000
     14     -28.7776      2.00000
     15     -28.7342      2.00000
     16     -28.7024      2.00000
     17     -28.6802      2.00000
     18     -28.6573      2.00000
     19     -28.6540      2.00000
     20     -28.6448      2.00000
     21     -28.5926      2.00000
     22     -28.5903      2.00000
     23     -28.5821      2.00000
     24     -28.5119      2.00000
     25     -26.8799      2.00000
     26     -26.8377      2.00000
     27     -26.7706      2.00000
     28     -26.6657      2.00000
     29     -26.6520      2.00000
     30     -26.6384      2.00000
     31     -26.5997      2.00000
     32     -26.5838      2.00000
     33     -26.5821      2.00000
     34     -26.5786      2.00000
     35     -26.5731      2.00000
     36     -26.5605      2.00000
     37     -26.5580      2.00000
     38     -26.5575      2.00000
     39     -26.5468      2.00000
     40     -26.5272      2.00000
     41     -26.5214      2.00000
     42     -26.5209      2.00000
     43     -26.5129      2.00000
     44     -26.5070      2.00000
     45     -26.4938      2.00000
     46     -26.4841      2.00000
     47     -26.4763      2.00000
     48     -26.4594      2.00000
     49     -26.4487      2.00000
     50     -26.4359      2.00000
     51     -26.4222      2.00000
     52     -26.4115      2.00000
     53     -26.4020      2.00000
     54     -26.3927      2.00000
     55     -26.3852      2.00000
     56     -26.3748      2.00000
     57     -26.3735      2.00000
     58     -26.3648      2.00000
     59     -26.3595      2.00000
     60     -26.3583      2.00000
     61     -26.3553      2.00000
     62     -26.3506      2.00000
     63     -26.3301      2.00000
     64     -26.3287      2.00000
     65     -26.3260      2.00000
     66     -26.3063      2.00000
     67     -26.3025      2.00000
     68     -26.2841      2.00000
     69     -26.2466      2.00000
     70     -26.2430      2.00000
     71     -26.2408      2.00000
     72     -26.1268      2.00000
     73     -23.3862      2.00000
     74     -23.3052      2.00000
     75     -23.2573      2.00000
     76     -23.2460      2.00000
     77     -23.2321      2.00000
     78     -23.2220      2.00000
     79     -23.1935      2.00000
     80     -23.1916      2.00000
     81     -23.1913      2.00000
     82     -23.1668      2.00000
     83     -23.1609      2.00000
     84     -23.1285      2.00000
     85     -23.1119      2.00000
     86     -23.0918      2.00000
     87     -23.0765      2.00000
     88     -23.0522      2.00000
     89     -23.0251      2.00000
     90     -23.0208      2.00000
     91     -23.0190      2.00000
     92     -23.0109      2.00000
     93     -22.9907      2.00000
     94     -22.9858      2.00000
     95     -22.9732      2.00000
     96     -22.9494      2.00000
     97     -22.8779      2.00000
     98     -22.8632      2.00000
     99     -22.8311      2.00000
    100     -22.8118      2.00000
    101     -22.8062      2.00000
    102     -22.7808      2.00000
    103     -22.7676      2.00000
    104     -22.7646      2.00000
    105     -22.7506      2.00000
    106     -22.7481      2.00000
    107     -22.7379      2.00000
    108     -22.7268      2.00000
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   1251       0.2403     -0.00000
   1252       0.2449     -0.00000
   1253       0.2617     -0.00000
   1254       0.2749     -0.00000
   1255       0.3050     -0.00000
   1256       0.3103     -0.00000
   1257       0.3549     -0.00000
   1258       0.3693     -0.00000
   1259       0.3798     -0.00000
   1260       0.3995     -0.00000
   1261       0.4837     -0.00000
   1262       0.6503     -0.00000
   1263       0.6875     -0.00000
   1264       0.7306     -0.00000
   1265       0.7572     -0.00000
   1266       0.7738     -0.00000
   1267       0.7789     -0.00000
   1268       0.7895     -0.00000
   1269       0.8338     -0.00000
   1270       0.8399     -0.00000
   1271       0.8549     -0.00000
   1272       0.8559     -0.00000
   1273       0.8665     -0.00000
   1274       0.9126     -0.00000
   1275       0.9202     -0.00000
   1276       0.9279     -0.00000
   1277       0.9519     -0.00000
   1278       0.9664     -0.00000
   1279       0.9979     -0.00000
   1280       1.0280     -0.00000
   1281       1.0455     -0.00000
   1282       1.0634     -0.00000
   1283       1.1219     -0.00000
   1284       1.1370     -0.00000
   1285       1.1566     -0.00000
   1286       1.2247     -0.00000
   1287       1.2412     -0.00000
   1288       1.3126     -0.00000
   1289       1.3441     -0.00000
   1290       1.3788     -0.00000
   1291       1.4510     -0.00000
   1292       1.5180     -0.00000
   1293       1.5362     -0.00000
   1294       1.5629     -0.00000
   1295       1.5803     -0.00000
   1296       1.6269     -0.00000
   1297       1.6559     -0.00000
   1298       1.8315     -0.00000
   1299       1.8554     -0.00000
   1300       1.8749     -0.00000
   1301       1.9007     -0.00000
   1302       1.9245     -0.00000
   1303       1.9348     -0.00000
   1304       1.9903     -0.00000
   1305       2.0152     -0.00000
   1306       2.0341     -0.00000
   1307       2.0677     -0.00000
   1308       2.0792     -0.00000
   1309       2.0911     -0.00000
   1310       2.1142     -0.00000
   1311       2.1380     -0.00000
   1312       2.1463     -0.00000
   1313       2.1532     -0.00000
   1314       2.1677     -0.00000
   1315       2.1885     -0.00000
   1316       2.2071     -0.00000
   1317       2.2119     -0.00000
   1318       2.2222     -0.00000
   1319       2.2476     -0.00000
   1320       2.3068     -0.00000
   1321       2.3326     -0.00000
   1322       2.4194     -0.00000
   1323       2.4439     -0.00000
   1324       2.4541     -0.00000
   1325       2.4840     -0.00000
   1326       2.5117     -0.00000
   1327       2.5251     -0.00000
   1328       2.5315     -0.00000
   1329       2.5484     -0.00000
   1330       2.5635     -0.00000
   1331       2.5661     -0.00000
   1332       2.5847     -0.00000
   1333       2.6056     -0.00000
   1334       2.6121     -0.00000
   1335       2.6290     -0.00000
   1336       2.6528     -0.00000
   1337       2.6545     -0.00000
   1338       2.6610     -0.00000
   1339       2.6717     -0.00000
   1340       2.6866     -0.00000
   1341       2.6974     -0.00000
   1342       2.7170     -0.00000
   1343       2.7549     -0.00000
   1344       2.7712     -0.00000
   1345       2.7891     -0.00000
   1346       2.9436     -0.00000
   1347       2.9948     -0.00000
   1348       3.0061     -0.00000
   1349       3.0252     -0.00000
   1350       3.0316     -0.00000
   1351       3.0587     -0.00000
   1352       3.0639     -0.00000
   1353       3.1035     -0.00000
   1354       3.1197     -0.00000
   1355       3.1328     -0.00000
   1356       3.1513     -0.00000
   1357       3.1676     -0.00000
   1358       3.1781     -0.00000
   1359       3.2131     -0.00000
   1360       3.2275     -0.00000
   1361       3.2792     -0.00000
   1362       3.3735     -0.00000
   1363       3.4645     -0.00000
   1364       3.5168     -0.00000
   1365       3.5862     -0.00000
   1366       3.6421     -0.00000
   1367       3.6544     -0.00000
   1368       3.7187     -0.00000
   1369       3.7532     -0.00000
   1370       3.7649     -0.00000
   1371       3.8201     -0.00000
   1372       3.8222     -0.00000
   1373       3.8675      0.00000
   1374       3.8761      0.00000
   1375       3.8900      0.00000
   1376       3.9099      0.00000
   1377       3.9186      0.00000
   1378       3.9312      0.00000
   1379       3.9506      0.00000
   1380       3.9636      0.00000
   1381       3.9708      0.00000
   1382       3.9751      0.00000
   1383       4.0031      0.00000
   1384       4.0201      0.00000
   1385       4.0217      0.00000
   1386       4.0355      0.00000
   1387       4.0426      0.00000
   1388       4.0526      0.00000
   1389       4.0560      0.00000
   1390       4.0636      0.00000
   1391       4.0965      0.00000
   1392       4.1091      0.00000
   1393       4.1153      0.00000
   1394       4.1255      0.00000
   1395       4.1297      0.00000
   1396       4.1348      0.00000
   1397       4.1633      0.00000
   1398       4.1686      0.00000
   1399       4.1735      0.00000
   1400       4.1894      0.00000
   1401       4.2079      0.00000
   1402       4.2149      0.00000
   1403       4.2365      0.00000
   1404       4.2438      0.00000
   1405       4.2596      0.00000
   1406       4.2759      0.00000
   1407       4.2953      0.00000
   1408       4.3176      0.00000
   1409       4.3250      0.00000
   1410       4.3348      0.00000
   1411       4.3504      0.00000
   1412       4.3561      0.00000
   1413       4.3685      0.00000
   1414       4.3866      0.00000
   1415       4.3979      0.00000
   1416       4.4116      0.00000
   1417       4.4183      0.00000
   1418       4.4251      0.00000
   1419       4.4469      0.00000
   1420       4.4669      0.00000
   1421       4.4756      0.00000
   1422       4.4789      0.00000
   1423       4.4996      0.00000
   1424       4.5170      0.00000
   1425       4.5341      0.00000
   1426       4.5594      0.00000
   1427       4.5703      0.00000
   1428       4.5894      0.00000
   1429       4.5976      0.00000
   1430       4.6328      0.00000
   1431       4.6424      0.00000
   1432       4.6723      0.00000
   1433       4.6823      0.00000
   1434       4.6986      0.00000
   1435       4.7615      0.00000
   1436       4.7746      0.00000
   1437       4.8077      0.00000
   1438       4.8300      0.00000
   1439       4.8352      0.00000
   1440       4.8422      0.00000
   1441       4.8692      0.00000
   1442       4.8798      0.00000
   1443       4.9262      0.00000
   1444       4.9306      0.00000
   1445       4.9433      0.00000
   1446       4.9535      0.00000
   1447       4.9701      0.00000
   1448       4.9776      0.00000
   1449       5.0016      0.00000
   1450       5.0035      0.00000
   1451       5.0283      0.00000
   1452       5.0481      0.00000
   1453       5.0614      0.00000
   1454       5.0796      0.00000
   1455       5.1046      0.00000
   1456       5.1091      0.00000
   1457       5.1203      0.00000
   1458       5.1244      0.00000
   1459       5.1354      0.00000
   1460       5.1362      0.00000
   1461       5.1751      0.00000
   1462       5.1971      0.00000
   1463       5.2053      0.00000
   1464       5.2306      0.00000
   1465       5.2315      0.00000
   1466       5.2360      0.00000
   1467       5.2518      0.00000
   1468       5.2673      0.00000
   1469       5.2687      0.00000
   1470       5.2823      0.00000
   1471       5.2828      0.00000
   1472       5.3000      0.00000
   1473       5.3105      0.00000
   1474       5.3335      0.00000
   1475       5.3424      0.00000
   1476       5.3475      0.00000
   1477       5.3505      0.00000
   1478       5.3652      0.00000
   1479       5.3717      0.00000
   1480       5.3765      0.00000
   1481       5.3884      0.00000
   1482       5.4007      0.00000
   1483       5.4143      0.00000
   1484       5.4272      0.00000
   1485       5.4367      0.00000
   1486       5.4434      0.00000
   1487       5.4544      0.00000
   1488       5.4646      0.00000
   1489       5.4701      0.00000
   1490       5.4777      0.00000
   1491       5.4883      0.00000
   1492       5.4928      0.00000
   1493       5.5052      0.00000
   1494       5.5090      0.00000
   1495       5.5282      0.00000
   1496       5.5333      0.00000
   1497       5.5422      0.00000
   1498       5.5474      0.00000
   1499       5.5569      0.00000
   1500       5.5698      0.00000
   1501       5.5788      0.00000
   1502       5.5866      0.00000
   1503       5.6012      0.00000
   1504       5.6069      0.00000
   1505       5.6226      0.00000
   1506       5.6246      0.00000
   1507       5.6368      0.00000
   1508       5.6435      0.00000
   1509       5.6553      0.00000
   1510       5.6646      0.00000
   1511       5.6661      0.00000
   1512       5.6725      0.00000
   1513       5.6836      0.00000
   1514       5.6961      0.00000
   1515       5.7160      0.00000
   1516       5.7182      0.00000
   1517       5.7326      0.00000
   1518       5.7426      0.00000
   1519       5.7516      0.00000
   1520       5.7608      0.00000
   1521       5.7792      0.00000
   1522       5.7877      0.00000
   1523       5.7964      0.00000
   1524       5.8016      0.00000
   1525       5.8127      0.00000
   1526       5.8291      0.00000
   1527       5.8312      0.00000
   1528       5.8402      0.00000
   1529       5.8491      0.00000
   1530       5.8617      0.00000
   1531       5.8795      0.00000
   1532       5.8917      0.00000
   1533       5.8975      0.00000
   1534       5.9120      0.00000
   1535       5.9203      0.00000
   1536       5.9254      0.00000
   1537       5.9292      0.00000
   1538       5.9365      0.00000
   1539       5.9476      0.00000
   1540       5.9640      0.00000
   1541       5.9731      0.00000
   1542       5.9749      0.00000
   1543       5.9894      0.00000
   1544       5.9937      0.00000
   1545       6.0083      0.00000
   1546       6.0162      0.00000
   1547       6.0272      0.00000
   1548       6.0353      0.00000
   1549       6.0376      0.00000
   1550       6.0471      0.00000
   1551       6.0567      0.00000
   1552       6.0634      0.00000
   1553       6.0755      0.00000
   1554       6.0837      0.00000
   1555       6.0958      0.00000
   1556       6.0978      0.00000
   1557       6.1139      0.00000
   1558       6.1257      0.00000
   1559       6.1331      0.00000
   1560       6.1426      0.00000
   1561       6.1500      0.00000
   1562       6.1602      0.00000
   1563       6.1695      0.00000
   1564       6.1803      0.00000
   1565       6.1892      0.00000
   1566       6.1961      0.00000
   1567       6.2042      0.00000
   1568       6.2110      0.00000
   1569       6.2150      0.00000
   1570       6.2301      0.00000
   1571       6.2358      0.00000
   1572       6.2434      0.00000
   1573       6.2514      0.00000
   1574       6.2575      0.00000
   1575       6.2633      0.00000
   1576       6.2771      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.088  13.413  -0.001   0.001  -0.000   0.002  -0.005   0.000
 13.413  17.832  -0.001   0.002  -0.000   0.002  -0.006   0.000
 -0.001  -0.001  -4.233   0.003   0.001   8.280  -0.004  -0.001
  0.001   0.002   0.003  -4.234   0.001  -0.004   8.279  -0.001
 -0.000  -0.000   0.001   0.001  -4.226  -0.001  -0.001   8.270
  0.002   0.002   8.280  -0.004  -0.001 -18.324   0.007   0.002
 -0.005  -0.006  -0.004   8.279  -0.001   0.007 -18.321   0.000
  0.000   0.000  -0.001  -0.001   8.270   0.002   0.000 -18.314
 total augmentation occupancy for first ion, spin component:           1
  8.470  -3.817   0.182   0.154  -0.039   0.023   0.028  -0.006
 -3.817   1.793  -0.091  -0.103   0.022  -0.010  -0.017   0.003
  0.182  -0.091   1.772  -0.062  -0.041   0.167  -0.012  -0.008
  0.154  -0.103  -0.062   1.908  -0.088  -0.012   0.179  -0.012
 -0.039   0.022  -0.041  -0.088   1.227  -0.008  -0.012   0.081
  0.023  -0.010   0.167  -0.012  -0.008   0.017  -0.002  -0.001
  0.028  -0.017  -0.012   0.179  -0.012  -0.002   0.018  -0.002
 -0.006   0.003  -0.008  -0.012   0.081  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -50993.04018 93934.20030 24236.97579-10976.05388  6648.95768 20312.15535
  Hartree  4673.19234120799.02322 62221.06796-11399.92793  4591.63276 14617.31723
  E(xc)  -10735.82170-10588.61774-10631.16920     2.89676     8.19466    32.66344
  Local   12880.14916************************ 22372.60731-11258.28745-34341.77458
  n-local -5846.26821 -5980.04418 -6034.75821     3.86571    17.16706   -63.07331
  augment  1495.24979  1535.03334  1486.84134     4.68787    12.27741    -3.55415
  Kinetic 45518.24226 43231.94755 43669.87472   -29.50943   -76.04433  -562.51670
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -100.4378342   -402.2742461   -143.4862342    -21.4335977    -56.1022016     -8.7827252
  in kB      -16.7488128    -67.0824505    -23.9274781     -3.5742240     -9.3554912     -1.4645897
  external PRESSURE =     -35.9195805 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.234E+03 -.111E+03 0.251E+03   0.234E+03 0.112E+03 -.252E+03   -.453E-01 -.781E+00 0.147E+01   0.178E-02 0.759E-03 -.257E-03
   -.190E+03 -.136E+03 0.603E+02   0.190E+03 0.138E+03 -.598E+02   0.475E+00 -.115E+01 -.298E+00   0.151E-02 0.656E-03 -.820E-03
   -.165E+03 -.125E+03 0.323E+01   0.165E+03 0.126E+03 -.152E+01   0.178E+00 -.114E+01 -.165E+01   0.128E-02 -.454E-04 -.994E-03
   -.220E+03 -.979E+02 0.340E+03   0.220E+03 0.980E+02 -.343E+03   -.293E+00 -.694E-01 0.256E+01   0.168E-02 0.152E-03 -.671E-03
   -.166E+03 -.148E+03 0.302E+03   0.166E+03 0.148E+03 -.303E+03   0.246E+00 -.911E+00 0.964E+00   0.120E-02 0.303E-05 -.638E-03
   -.150E+03 -.110E+03 0.167E+03   0.150E+03 0.110E+03 -.167E+03   0.472E-01 -.116E+00 -.460E-01   0.104E-02 -.310E-03 -.283E-03
   -.237E+03 -.134E+03 0.179E+03   0.236E+03 0.139E+03 -.179E+03   0.643E+00 -.459E+01 0.817E+00   0.237E-02 -.399E-03 -.106E-02
   -.184E+03 -.114E+03 0.336E+02   0.184E+03 0.118E+03 -.355E+02   -.503E+00 -.402E+01 0.197E+01   0.127E-02 0.520E-04 -.289E-04
   -.108E+03 0.410E+01 0.195E+03   0.108E+03 -.404E+01 -.195E+03   0.158E+00 0.854E-01 -.123E-01   0.847E-03 -.311E-03 -.133E-03
   -.842E+02 0.867E+02 0.618E+02   0.837E+02 -.882E+02 -.605E+02   0.420E+00 0.143E+01 -.119E+01   0.118E-02 0.768E-04 -.634E-03
   -.938E+02 0.105E+03 0.137E+03   0.936E+02 -.106E+03 -.137E+03   0.186E+00 0.102E+01 0.504E-02   0.101E-02 0.181E-03 -.750E-03
   -.108E+03 -.169E+01 0.331E+03   0.108E+03 0.142E+01 -.332E+03   -.869E-01 0.454E+00 0.118E+01   0.660E-03 -.193E-03 -.174E-03
   -.113E+03 -.423E+02 0.362E+03   0.113E+03 0.432E+02 -.364E+03   -.143E+00 -.898E+00 0.230E+01   0.847E-03 0.446E-03 0.151E-03
   -.117E+03 0.204E+02 0.306E+03   0.117E+03 -.204E+02 -.307E+03   -.531E-01 0.192E+00 0.155E+01   0.929E-03 0.258E-03 -.141E-03
   -.109E+03 0.115E+03 0.266E+03   0.109E+03 -.120E+03 -.268E+03   0.519E+00 0.412E+01 0.213E+01   0.148E-02 0.136E-02 -.106E-02
   -.913E+02 0.118E+03 0.107E+03   0.912E+02 -.122E+03 -.110E+03   -.197E-01 0.298E+01 0.338E+01   0.842E-03 0.769E-03 -.681E-03
   -.741E+02 0.111E+03 0.555E+02   0.745E+02 -.106E+03 -.512E+02   -.286E+00 -.465E+01 -.411E+01   0.160E-02 0.127E-03 0.454E-04
   -.842E+01 0.206E+03 -.150E+03   0.788E+01 -.208E+03 0.152E+03   0.552E+00 0.171E+01 -.205E+01   0.158E-02 0.146E-03 0.894E-03
   0.284E+02 0.152E+03 -.199E+03   -.286E+02 -.152E+03 0.201E+03   0.239E+00 0.133E+00 -.182E+01   0.207E-02 -.237E-03 0.104E-02
   -.707E+02 0.115E+03 0.182E+03   0.717E+02 -.114E+03 -.185E+03   -.114E+01 -.100E+01 0.299E+01   0.208E-02 0.542E-03 0.488E-04
   -.143E+01 0.698E+02 -.852E+00   0.225E+00 -.713E+02 0.220E+01   0.125E+01 0.141E+01 -.127E+01   0.204E-02 -.702E-03 -.266E-03
   0.260E+01 0.129E+02 -.131E+03   -.253E+01 -.130E+02 0.132E+03   -.280E-01 0.277E+00 -.944E+00   0.214E-02 -.309E-03 0.106E-02
   -.373E+02 -.340E+02 -.177E+03   0.377E+02 0.344E+02 0.176E+03   -.367E+00 -.328E+00 0.785E+00   0.221E-02 -.695E-03 0.763E-03
   -.458E+02 -.707E+02 -.233E+03   0.470E+02 0.723E+02 0.232E+03   -.129E+01 -.155E+01 0.131E+01   0.133E-02 -.104E-02 0.243E-04
   -.260E+02 -.157E+03 -.341E+03   0.255E+02 0.158E+03 0.343E+03   0.566E+00 -.410E+00 -.192E+01   0.112E-02 -.911E-03 0.330E-03
   -.107E+03 -.165E+03 -.161E+03   0.108E+03 0.165E+03 0.159E+03   -.960E+00 -.331E+00 0.188E+01   0.263E-02 -.128E-02 0.110E-02
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 -----------------------------------------------------------------------------------------------
   0.135E+02 -.409E+01 -.184E+02   0.688E-11 -.159E-11 0.233E-11   -.136E+02 0.411E+01 0.184E+02   0.658E-01 -.119E-01 0.455E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.07386      3.16989      1.34592         0.083121     -0.253176     -0.095661
     12.85213      3.58063      2.65259         0.091883      0.039696      0.191147
     12.83904      4.93560      3.00457        -0.079685      0.033870      0.055712
     13.11344      4.09675      0.31126         0.019039      0.001068      0.066995
     12.98436      5.44592      0.64981         0.111676     -0.184784     -0.069927
     12.94463      5.91889      1.98554        -0.067873     -0.023213     -0.127210
     13.23976      1.68722      1.33205        -0.355663      0.281602      0.548703
     12.67211      2.35108      3.49231        -0.059731      0.034142      0.071483
     13.05191      7.39672      2.23487         0.032732      0.152438     -0.140473
     13.06381      7.98554      3.52178        -0.096597     -0.055908      0.100628
     13.31408      9.35493      3.65572        -0.036047     -0.009956      0.140751
     13.21922      8.28514      1.13745         0.028132      0.187807      0.099311
     13.44218      9.66038      1.27457        -0.048021      0.007301      0.050067
     13.51156     10.18750      2.56538         0.088049      0.244998     -0.004044
     13.73949     11.58891      3.06113        -0.234816     -0.711516      0.628673
     13.39020     10.18387      4.89890        -0.089362     -0.158669      0.104964
     13.72609     12.65431      5.42604         0.089161      0.023236      0.198226
     13.45737     12.53735      6.80153         0.015314     -0.297272     -0.063878
     13.47520     13.65037      7.64216         0.056283     -0.153947      0.012414
     14.08641     13.94717      5.00238        -0.077871     -0.268714     -0.058353
     14.10793     15.05816      5.86449         0.041801     -0.039864      0.077782
     13.79905     14.96601      7.27162         0.046622      0.208104     -0.125345
     13.86960     16.08126      8.32201         0.018599      0.014995      0.139879
     13.27878     16.07157      9.64289        -0.094227      0.080579      0.222148
     13.35772     17.19683     10.48902         0.058353      0.181498     -0.126916
     14.55750     17.29133      8.04663         0.026313     -0.078330      0.171440
     14.55202     18.43342      8.85175        -0.046358     -0.085433     -0.027305
     13.92848     18.40371     10.09280         0.059924     -0.048399     -0.092648
     12.46880     14.96507     10.30321         0.043772      0.141497      0.084156
     14.69084     16.27516      5.18234        -0.222195      0.026182      0.258765
      9.76410      3.85582      4.76737         0.011690     -0.227426      0.013328
      9.73374      4.77877      3.73231        -0.050204      0.096097     -0.243811
      9.81963      6.15575      3.99273        -0.009171      0.116619     -0.015765
      9.90551      4.25831      6.08824         0.074001      0.096324     -0.091782
      9.96649      5.62431      6.35028         0.035298     -0.054155      0.097524
      9.93286      6.61593      5.33583         0.001850     -0.162157     -0.029256
      9.52215      2.49422      4.23165         0.097796     -0.157912     -0.141461
      9.59263      4.00462      2.43974         0.076340      0.100210     -0.062425
     10.00830      8.06507      5.72524         0.047705     -0.003565      0.092485
     10.08196      9.11130      4.77624         0.086157     -0.109581     -0.184982
     10.20990     10.42549      5.20979        -0.042151      0.226396     -0.195599
      9.98907      8.45160      7.09162        -0.070600      0.118759      0.060554
     10.04173      9.78485      7.52155         0.135556      0.018663     -0.127952
     10.19412     10.77144      6.55238        -0.028781      0.353674      0.201948
     10.27411     12.26713      6.66857         0.155375     -0.689466     -0.852743
     10.32323     11.68522      4.41588         0.046064     -0.122235     -0.510313
     10.76798     14.12718      4.94099         0.009932     -0.046525     -0.170799
     11.26948     14.44621      3.67278         0.003087      0.058426     -0.024124
     11.66329     15.75412      3.37304        -0.021020     -0.091300     -0.125101
     10.64574     15.21062      5.82201        -0.137691     -0.069352      0.015871
     11.00960     16.53857      5.50002        -0.092242     -0.128971      0.028325
     11.56203     16.89164      4.20282         0.001596      0.103115     -0.006761
     12.01469     18.28792      3.69897         0.102464     -0.061078      0.142508
     12.58474     18.69254      2.42796         0.175657     -0.056370     -0.132626
     12.89685     20.03901      2.15612         0.114476      0.144137     -0.005596
     11.92220     19.38681      4.58085        -0.071364      0.013191      0.040333
     12.19772     20.72582      4.31419         0.033069      0.122090     -0.162871
     12.65015     21.09796      3.03803        -0.034080      0.122213      0.291421
     13.02857     17.81778      1.24657        -0.193467     -0.018459      0.070907
     10.79647     17.45378      6.70192        -0.087401     -0.067648      0.121323
     10.41854      7.08546     14.67196         0.041863     -0.081247     -0.144820
     10.31433      7.48815     15.99576         0.136338      0.398952      0.209730
     10.35591      8.85460     16.34961        -0.026924     -0.073467      0.210559
     10.42594      8.04073     13.65180         0.176767     -0.164547      0.126980
     10.36394      9.39497     14.00224         0.154997     -0.096969      0.045306
     10.39682      9.86725     15.34616        -0.008004     -0.000089     -0.148349
     10.50429      5.58576     14.62820        -0.442067      0.815155      1.171621
     10.15288      6.24076     16.84122         0.286249      0.280430     -1.702392
     10.47890     11.37469     15.60174         0.072957      0.045464     -0.021475
     10.51485     11.98382     16.89172         0.046791      0.016693      0.072517
     10.65727     13.38290     17.01609         0.008225     -0.110665      0.066605
     10.56781     12.27239     14.49519         0.071011      0.112531      0.158561
     10.71345     13.66212     14.62245        -0.032369      0.004709      0.148749
     10.76448     14.21360     15.90511         0.063188      0.218198      0.044702
     10.90571     15.64848     16.36394        -0.151891     -0.643742      0.366072
     10.69610     14.26468     18.24258        -0.078903     -0.135226     -0.087871
     10.71847     16.80652     18.67578        -0.044304     -0.122494      0.112299
     10.10958     16.75546     19.93529         0.061294     -0.121057     -0.025732
      9.93245     17.91099     20.70564         0.048501     -0.080094     -0.171444
     11.18373     18.08819     18.31425         0.013073     -0.214756     -0.050657
     11.04910     19.24770     19.11833         0.232385     -0.005514     -0.198101
     10.39398     19.21287     20.42563        -0.012644      0.035276     -0.130216
     10.14766     20.34886      0.19936        -0.011011     -0.126814      0.013329
      9.51369     20.30216      1.51088        -0.061223      0.007213     -0.015290
      9.30279      0.19268      2.30277        -0.002018      0.128016     -0.141396
     10.54440      0.40459     21.15649        -0.147980      0.267081      0.014401
     10.27232      1.56391      0.63952         0.163349      0.147455     -0.146560
      9.67823      1.48931      1.90256        -0.105816     -0.119870     -0.038286
      8.85277     19.10656      2.17069         0.324023     -0.043052      0.025018
     11.75825     20.42882     18.41845        -0.095069      0.049370      0.272155
      7.24796      7.65310     17.43100        -0.060350     -0.194445     -0.039351
      7.16962      8.58554     16.40174        -0.129917      0.011703     -0.119501
      7.13494      9.96350     16.67416         0.042395     -0.051343     -0.086834
      7.37802      8.05512     18.75453         0.100278      0.076004     -0.119892
      7.40160      9.42634     19.01539        -0.053102     -0.030552     -0.021855
      7.25914     10.42528     18.01344         0.074574     -0.133006      0.057018
      6.96230      6.29841     16.87789         0.272138      0.406150     -0.370478
      7.02605      7.80799     15.10960         0.076981      0.002884      0.033728
      7.23495     11.88039     18.42757         0.015122      0.022783      0.017009
      7.22365     12.96946     17.51388         0.054392     -0.022136     -0.096794
      7.21670     14.28540     17.99360        -0.006377      0.069178     -0.246734
      7.26407     12.22031     19.80574        -0.034904      0.171979      0.046766
      7.27227     13.53644     20.28097         0.110332     -0.021980     -0.154271
      7.22307     14.56797     19.35149        -0.019535      0.378260      0.166122
      7.18717     16.05424     19.54646         0.083976     -0.308464     -0.765073
      7.27365     15.59959     17.26155         0.046850     -0.076361     -0.058647
      7.53492     18.04988     17.95866         0.040729     -0.051541     -0.063886
      8.27770     18.42205     16.84038         0.076777      0.080583     -0.066809
      8.62094     19.75577     16.62213         0.078703     -0.086528     -0.052766
      7.12393     19.11417     18.78097        -0.055992     -0.054520     -0.105604
      7.43614     20.48308     18.53039        -0.165245     -0.236716      0.089634
      8.24513     20.87918     17.38483         0.203062      0.181479     -0.167592
      8.78144      1.01557     16.91208        -0.040107     -0.062296      0.019184
      9.43451      1.37048     15.65151         0.252522      0.537706      0.290533
      9.88290      2.69975     15.41353        -0.070658      0.120764     -0.055271
      8.67620      2.13331     17.77024         0.046694     -0.076458      0.014548
      9.15958      3.43307     17.54559         0.009317     -0.351361      0.022714
      9.74875      3.76528     16.32083         0.249753      0.016988     -0.168434
      9.89882      0.52421     14.46355         0.193982     -0.724447     -0.112625
      6.76008      0.12369     19.57639        -0.125764     -0.120389     -0.214984
      6.93537     10.86689      6.13472         0.007042     -0.302427     -0.043724
      6.81790     11.29940      7.44552         0.034186      0.022093      0.206788
      6.87551     12.66656      7.77684         0.004546      0.040133      0.181544
      7.17015     11.78483      5.11238        -0.039108      0.020017      0.026522
      7.24996     13.14206      5.45111        -0.083097     -0.171647     -0.041679
      7.08110     13.64942      6.76748        -0.008333     -0.212923     -0.030986
      6.93032      9.36862      6.10916        -0.078758     -0.007327      0.220635
      6.77762     10.06096      8.31283        -0.003338      0.054343      0.036895
      7.17765     15.14388      7.00940         0.053565      0.095368     -0.065296
      7.09793     15.77781      8.27791         0.005740     -0.039052      0.164306
      7.23817     17.17538      8.38691        -0.063006     -0.120895      0.090450
      7.42075     16.00882      5.90576        -0.078762      0.079410      0.120625
      7.48292     17.39866      6.00506        -0.025010      0.043506      0.021894
      7.37736     17.98010      7.26678        -0.035886      0.220406      0.074055
      7.54298     19.40693      7.69367        -0.000510      0.148284      0.202040
      7.40091     18.05826      9.59646         0.020084      0.025703     -0.155373
      7.62990     20.59223      9.99097         0.047951     -0.022223      0.125212
      7.17884     20.57755     11.31659         0.067243     -0.104521     -0.096318
      7.15445      0.48183     12.08114        -0.019402     -0.093033     -0.042801
      8.17665      0.57172      9.59036         0.058225     -0.010813     -0.023896
      8.24652      1.72378     10.42823         0.151282     -0.281344     -0.331529
      7.66140      1.75120     11.75599        -0.026174      0.052869      0.061735
      7.49782      2.90351     12.78515        -0.246823     -0.391001      0.430350
      6.86543      2.85068     14.12054         0.403003     -0.023281     -0.314359
      6.69882      3.99452     14.91129         0.021515      0.441177      0.074125
      7.93701      4.20745     12.50091        -0.141868      0.421618      0.064827
      7.73602      5.36290     13.28338         0.189337     -0.028561     -0.018578
      7.12964      5.28905     14.54067        -0.070939     -0.135664      0.029268
      6.27250      1.65655     14.86134        -0.078624     -0.359577     -0.103526
      9.15127      2.79038      9.81834        -0.087929     -0.282294      0.075331
      4.22264     11.50471     10.63758        -0.027435     -0.245777     -0.130891
      3.96474     12.36123      9.57881        -0.033660      0.056921     -0.158984
      4.00285     13.74804      9.72864         0.069857      0.085376     -0.193445
      4.56183     12.02691     11.88282         0.030075     -0.039247     -0.094544
      4.57868     13.41678     12.04383         0.073220      0.029940     -0.147965
      4.31284     14.32617     10.98122         0.128261     -0.124781     -0.016667
      3.87178     10.10972     10.22350        -0.051551      0.213886     -0.370930
      3.50844     11.54204      8.41246         0.008730      0.009885      0.053714
      4.35801     15.81709     11.19072         0.096066      0.118877      0.086637
      4.05561     16.77648     10.18279        -0.036298     -0.035867     -0.255224
      4.13228     18.14457     10.47283        -0.085091      0.153737     -0.104816
      4.77058     16.33095     12.44666         0.020644      0.129270      0.034162
      4.79771     17.69368     12.75089         0.042019     -0.055090      0.007816
      4.43595     18.58879     11.75332        -0.104020      0.305313     -0.001194
      4.30218     20.06776     11.79179         0.016467      0.251846      0.212342
      4.02057     19.37116      9.59863        -0.047804      0.078661     -1.088559
      4.36002      0.64486     10.05982        -0.026988      0.077422     -0.132992
      4.79615      0.99867      8.77785         0.065236     -0.174127      0.122110
      5.28180      2.28013      8.52907        -0.050778     -0.228754      0.078481
      4.23814      1.73685     10.93696         0.076627      0.140956      0.003965
      4.74224      3.05054     10.67191        -0.126377     -0.136835      0.134959
      5.38647      3.37832      9.41707         0.097946      0.167010     -0.065587
      5.99755      4.73559      8.89227         0.089229      0.079167      0.107146
      6.49144      5.03384      7.56209         0.094634     -0.004735     -0.127541
      6.82416      6.34447      7.13101         0.012633      0.255351      0.052251
      5.98617      5.91534      9.67487         0.007178     -0.231400     -0.037997
      6.25090      7.21883      9.24556         0.016533      0.194312      0.037845
      6.63600      7.50401      7.92556         0.025186      0.038962      0.014077
      6.64843      3.99336      6.45312        -0.109208      0.163410      0.065141
      4.30230      3.92291     11.85971        -0.072167     -0.188269     -0.033837
      0.92250     14.19124      0.91213        -0.037853     -0.251373      0.072263
      1.55974     14.62610      2.07086        -0.117001      0.063287     -0.091245
      1.58932     16.01389      2.37786         0.164707     -0.160579      0.292592
      0.47119     15.08587     21.20464        -0.050098     -0.008860     -0.009960
      0.58322     16.44568      0.22041        -0.027443     -0.113106      0.211927
      1.05979     16.97260      1.45667        -0.214883     -0.081419     -0.150753
      0.84580     12.70805      0.91548        -0.233723     -0.135563     -0.443081
      2.16708     13.35969      2.70287        -0.176006      0.290432     -0.200782
      0.95055     18.48825      1.64649         0.062037      0.083850      0.034110
      1.31031     19.22865      2.81177         0.094747     -0.094531     -0.037725
      1.18129     20.63119      2.81665         0.038777     -0.131947      0.156909
      0.46206     19.27106      0.55921        -0.059549      0.140175     -0.048960
      0.27742     20.65771      0.58913        -0.009171     -0.232907      0.154821
      0.62865      0.07015      1.75412        -0.092735      0.294164     -0.246858
      0.56191      1.52932      2.07336         0.177840     -0.011156      0.113938
      1.62573      0.39590      3.82085        -0.031133     -0.059092      0.016966
      1.36172      2.94357      4.06264         0.016242     -0.185151      0.135800
      1.95879      2.98788      5.32951        -0.144073     -0.078172     -0.302871
      2.07991      4.19560      5.99921         0.102090     -0.098975      0.088098
      0.84697      4.17563      3.61101         0.090271     -0.080303     -0.033033
      0.95648      5.38770      4.33644        -0.025398     -0.163578     -0.097286
      1.67247      5.48377      5.59365        -0.018274      0.007565     -0.126660
      2.05238      6.70643      6.46140        -0.199298      0.002623     -0.169239
      2.52260      6.67483      7.81486        -0.019845     -0.218430      0.283670
      2.94353      7.79812      8.53524         0.175679      0.236298      0.090534
      2.02624      8.04385      5.99000         0.131441      0.153223     -0.051021
      2.49942      9.17943      6.68104        -0.090068      0.139309     -0.135028
      2.99933      9.08326      7.99536         0.054717      0.096909      0.152121
      2.79877      5.43889      8.62570         0.192160      0.118033     -0.016419
      0.16969      6.49197      3.65670         0.219697      0.089688     -0.144123
      4.65945     14.08354      0.68899         0.021646     -0.082438     -0.000079
      4.06459     14.97545     -0.20140         0.053082      0.289891      0.155500
      4.09039     16.37504      0.05013        -0.131296     -0.091915     -0.124110
      5.31729     14.55991      1.82042        -0.005749      0.095759      0.042431
      5.30453     15.93491      2.07717        -0.020738     -0.175556     -0.205873
      4.68052     16.90233      1.24458        -0.030832      0.061741      0.021834
      4.49008     12.68006      0.20167        -0.203518      0.134074     -0.124358
      3.48674     14.12545     19.93343         0.103521      0.010304      0.558497
      4.72452     18.37978      1.70628         0.001472     -0.038149      0.004350
      4.16008     19.51186      1.04516        -0.067222      0.140941     -0.085358
      4.33606     20.82372      1.56392        -0.091403     -0.172018     -0.078773
      5.41198     18.68044      2.91677        -0.088129      0.256040     -0.025018
      5.60156     19.97079      3.42511        -0.008695      0.014078      0.041531
      5.06424     21.04949      2.72225        -0.017837      0.125630      0.080104
      5.14689      1.26625      2.98521        -0.018348      0.108694     -0.040009
      3.86501      0.92293      1.08115        -0.094673     -0.103086     -0.202658
      4.03289      3.39593      1.94498         0.003878      0.045017     -0.010258
      3.11773      3.99105      1.04366         0.117556     -0.087344      0.074904
      2.87801      5.37945      1.00829         0.051296      0.030007     -0.115627
      4.57628      4.33162      2.85683        -0.002800      0.275075     -0.015938
      4.26896      5.73262      2.83320        -0.152075     -0.142181     -0.487351
      3.45764      6.38642      1.83032        -0.002101     -0.013259      0.076212
      3.11720      7.94349      1.69345        -0.189514     -0.088606     -0.068481
      2.01281      8.52528      0.95370        -0.205030      0.206744      0.142719
      1.63790      9.88330      1.06903        -0.155225     -0.275565     -0.159027
      3.79220      8.98518      2.40722        -0.183778      0.062517     -0.144491
      3.36279     10.32284      2.59752        -0.138300     -0.174905     -0.045914
      2.23288     10.81981      1.91779         0.208095      0.260288      0.179679
      1.01236      7.80259      0.05753         0.034784      0.098115     -0.034821
      4.91383      6.48720      3.95164        -0.119103      0.153107     -0.075262
     18.06190     17.34823     13.67700        -0.148092     -0.168376      0.013445
     19.07651     17.81312     14.50481         0.059166     -0.073984      0.181703
     19.34089     19.18038     14.65308         0.052823      0.008124      0.094068
     17.33042     18.24658     12.89431         0.185057     -0.063663      0.106649
     17.64001     19.60972     13.00069        -0.102419     -0.075921      0.068834
     18.59027     20.13629     13.91932        -0.097115     -0.210915     -0.066297
     17.99011     15.85215     13.78727         0.759911      0.509952      0.341752
     19.74790     16.61551     15.12601         0.248361      0.094145      0.112102
     18.71436      0.36477     14.13170        -0.079850      0.081435      0.036493
     19.65842      0.94895     15.01722         0.059840     -0.071665      0.083875
     19.61782      2.32305     15.27940         0.161162     -0.018953      0.152137
     17.79814      1.25361     13.50900         0.018202      0.046482      0.038187
     17.78560      2.63178     13.73976         0.063256      0.091657      0.027992
     18.70815      3.15332     14.64261         0.004643      0.399955      0.060150
     18.93380      4.56661     15.09320         0.410607     -0.533030      0.265898
     20.41253      3.16882     16.24493         0.047466     -0.251051      0.103210
     20.62430      5.67668     16.68380        -0.088631      0.276209      0.208265
      0.67344      5.65264     17.16802        -0.225575     -0.191435     -0.193032
      1.26680      6.81158     17.65340         0.329673     -0.048202      0.125260
     19.95729      6.90072     16.89770        -0.029510     -0.288234     -0.060601
     20.55121      8.05087     17.47342        -0.004551     -0.000246      0.020578
      0.70069      8.08430     17.84539        -0.275414      0.099163     -0.137406
      1.57792      9.23646     18.43232         0.325338     -0.037414      0.246461
      2.94224      9.17340     18.96586        -0.172004      0.171496     -0.122891
      3.58974     10.31845     19.51552         0.263978     -0.098909      0.026229
      1.06119     10.54677     18.57776        -0.231403     -0.120760     -0.316011
      1.70723     11.66168     19.12052        -0.024009      0.009108      0.127541
      3.00111     11.57861     19.64364         0.045496      0.519469     -0.010685
      4.04108      8.09207     18.89083        -0.486763     -0.036035      0.042824
     19.49887      9.12403     17.75641         0.334032     -0.026781      0.088734
      1.93232     18.22236     14.13345        -0.057809     -0.292461     -0.249180
      1.21089     19.14010     13.37358        -0.147486      0.131877     -0.169193
      1.28485     20.51690     13.62235         0.006557      0.149124      0.097202
      2.81441     18.65961     15.12057        -0.279122      0.111080     -0.103816
      2.88810     20.03554     15.37738        -0.166333      0.011183      0.009724
      2.11249     21.00936     14.67754        -0.036049     -0.214620      0.031047
      1.62348     16.83736     13.64710        -0.570913      0.822880     -0.200139
      0.44399     18.37213     12.31813         0.134471     -0.006232      0.337140
      2.24041      1.21912     15.00845         0.009988     -0.007013      0.130721
      1.67324      2.24007     14.20408        -0.134584     -0.208187     -0.022358
      1.92221      3.57870     14.49452        -0.149988      0.185384     -0.314755
      2.98892      1.66203     16.13325         0.115708      0.098635     -0.008483
      3.34881      3.00390     16.33672         0.020453      0.031536     -0.024090
      2.83506      3.96162     15.46671         0.105043      0.341597     -0.003661
      3.09360      5.43437     15.28616        -0.178061     -0.072776      0.031447
      1.38467      4.81435     13.84668        -0.749988     -0.046089     -0.879831
      1.60497      7.30585     14.35639        -0.382320     -0.019436     -0.138451
      0.30271      7.59014     13.93399        -0.177724     -0.045182     -0.020517
     21.01485      8.86673     14.07858         0.015228     -0.160840     -0.007839
      2.33335      8.42632     14.79660         0.029457     -0.122189     -0.047959
      1.79001      9.72968     14.92520         0.111240      0.024912     -0.136454
      0.40122     10.02772     14.55525         0.177626      0.109980     -0.051611
     20.88494     11.37466     14.55560        -0.082384     -0.057939      0.146074
     19.50645     11.66152     14.16167        -0.239294     -0.073877      0.007839
     18.96050     12.96462     14.23235         0.039908      0.130256      0.207273
      0.28124     12.55253     14.97702        -0.031424      0.031725     -0.017358
     -0.26006     13.84033     15.07082         0.085054      0.084164      0.042958
     19.67700     14.09499     14.66505         0.304767      0.126268      0.126587
     18.43580     10.67149     13.65950         0.153367      0.098405      0.063625
      2.90515     10.69636     15.36757         0.094861     -0.096675      0.039212
     16.17251      0.42535      5.23643         0.014621     -0.285314     -0.134633
     16.87616      0.83021      6.35940         0.222488      0.009281      0.129571
     16.91343      2.18253      6.74672         0.033433     -0.007496      0.153125
     15.44877      1.33682      4.49002         0.141098      0.034433      0.046946
     15.50119      2.67908      4.86493         0.004885     -0.123028     -0.115825
     16.22828      3.16486      5.97282        -0.024578     -0.094728      0.031206
     16.44662     20.24827      4.94806         0.206596      0.199406      0.256585
     17.58916     20.86361      6.88527        -0.131054      0.111794     -0.196584
     16.23641      4.65822      6.22320        -0.070272      0.112099      0.017651
     16.96505      5.29899      7.25381        -0.009995     -0.128708      0.204050
     16.89753      6.69200      7.41349         0.079439     -0.089596      0.204491
     15.47685      5.52251      5.38674         0.078815      0.059228      0.041877
     15.47965      6.91486      5.49701         0.066683     -0.054496     -0.004040
     16.21345      7.50007      6.52104         0.007280      0.240772      0.017501
     16.47126      8.93555      6.85620         0.043510      0.036506      0.119003
     17.47365      7.58391      8.47404        -0.119331      0.003596     -0.082969
     17.74032     10.11848      8.74831         0.058980     -0.021458      0.238651
     18.79424     10.01875      9.66146        -0.111579     -0.203809     -0.018254
     19.35622     11.15653     10.22407         0.022901     -0.001065      0.122026
     17.26798     11.43124      8.54301        -0.127020     -0.141731     -0.056878
     17.82506     12.57615      9.16818        -0.060583     -0.088251     -0.162943
     18.95640     12.48813     10.06332         0.015593     -0.059175     -0.049533
     19.75302     13.57774     10.79470         0.182115     -0.103721      0.125035
     21.05025     13.47074     11.44940         0.007263     -0.093095     -0.140234
      0.43509     14.59410     11.99761        -0.100643      0.197145     -0.095628
     19.24341     14.88660     10.88898         0.047937      0.162396      0.019993
     19.91212     16.01439     11.38336        -0.205905      0.179184      0.018299
     21.16859     15.88800     11.98294         0.049036      0.227615     -0.019922
      0.79052     12.30902     11.50246        -0.070170     -0.098040      0.094905
     17.03942     13.82709      8.82146         0.182676     -0.079528      0.011602
     20.36231      1.38611      6.14541        -0.102519     -0.245226     -0.011640
     19.77837      2.42545      5.41955        -0.055205     -0.085602     -0.038992
     19.76770      3.72976      5.87675        -0.150514      0.155427      0.102413
     20.89067      1.62869      7.40886        -0.130722      0.159764     -0.149868
     20.78466      2.93176      7.91611         0.024261     -0.024209      0.083897
     20.25280      4.02417      7.17782        -0.088397     -0.156209      0.003258
     20.22877      0.12621      5.34158         0.124643      0.248012      0.193770
     19.18307      1.85484      4.16887         0.026904      0.169911      0.062301
     20.28309      5.43486      7.68215        -0.009297      0.057952     -0.075296
     19.89344      6.48633      6.82996        -0.172391     -0.005558     -0.256165
     20.19091      7.80558      7.14437        -0.042314      0.288653     -0.162148
     -0.47807      5.81860      8.94793         0.064576      0.167892      0.107127
     -0.10322      7.13921      9.23567        -0.072943      0.046522      0.169563
     20.89413      8.12964      8.29032         0.074268      0.352678      0.038992
     -0.04407      9.58787      8.23682         0.590088      0.695621      0.671854
     19.92328      9.06738      6.38893        -0.671309      0.176944     -0.844758
     20.39997     11.54834      6.75356        -0.107553      0.058591     -0.036165
     19.49262     11.97034      5.76622        -0.022913     -0.053492      0.072618
     19.21713     13.32651      5.59078        -0.079257     -0.094428     -0.093103
     21.07750     12.59785      7.41963         0.014604     -0.074890     -0.046879
     20.83853     13.97470      7.18218         0.101958     -0.145990     -0.054696
     19.82909     14.42131      6.24337         0.020376     -0.066397     -0.049993
     19.33367     15.84002      5.95684        -0.031527     -0.021806     -0.067556
     18.52884     16.30178      4.84737        -0.039847      0.179644     -0.073996
     18.00225     17.61486      4.81033        -0.025799      0.176199      0.065606
     19.56267     16.86831      6.90078        -0.040044      0.051085      0.071507
     18.96165     18.12557      6.92961        -0.033559      0.118009     -0.074250
     18.11116     18.53057      5.88334         0.090414     -0.038804      0.176106
     18.00513     15.45173      3.68563         0.176929      0.181607      0.030091
      0.58136     14.86968      7.91453         0.001551     -0.169594     -0.166395
     12.72894      5.21032      4.05654        -0.036122      0.008188     -0.063243
     13.22217      3.78631     20.52802        -0.014512      0.013056      0.064763
     12.92649      6.14616     21.08163         0.105658      0.066878     -0.054907
     12.87292      7.39257      4.42009        -0.004063      0.041216     -0.070501
     13.17615      7.90296      0.12187         0.050578     -0.009846     -0.059626
     13.54772     10.28711      0.38444         0.038517      0.003012      0.124678
     13.29278     13.41570      8.67728         0.009668      0.003276      0.150411
     13.28641     11.55550      7.24937        -0.106455      0.177115     -0.124468
     14.38861     14.08965      3.96828        -0.128498      0.010641      0.074861
     12.91838     17.14336     11.48461        -0.023779     -0.019975     -0.137881
     15.12452     17.39905      7.14182        -0.002230     -0.074496      0.059551
     15.01215     19.35288      8.46400         0.025691     -0.221634      0.147894
      9.79009      6.86817      3.16487        -0.049014     -0.081410     -0.008456
      9.90174      3.53597      6.89985         0.076014      0.041029     -0.094270
      9.97474      5.90927      7.40380         0.200117      0.043100     -0.103984
     10.03553      8.90250      3.70798         0.046416      0.029506     -0.050910
      9.86724      7.70571      7.87453         0.052037     -0.085177     -0.040140
      9.95091     10.03683      8.58193         0.091041     -0.037537     -0.070342
     12.10234     15.83495      2.39158        -0.018887      0.138104      0.024785
     11.37476     13.68851      2.89610         0.076697      0.074848      0.121261
     10.22832     15.00811      6.80388         0.170381      0.053481     -0.011475
     13.38661     20.28988      1.21992        -0.180529     -0.119246     -0.046938
     11.58392     19.24238      5.59028         0.096144     -0.036325     -0.101684
     12.04393      0.18972      5.11703        -0.008854     -0.044318     -0.212933
     10.31949      9.11226     17.41369         0.024354      0.027246     -0.097062
     10.48838      7.74145     12.59976        -0.069414      0.050996      0.135959
     10.30826     10.09569     13.17105         0.054932      0.050577      0.050043
     10.42168     11.38005     17.80073         0.058002      0.061220     -0.078304
     10.54404     11.89783     13.47360        -0.000515     -0.072753      0.022231
     10.77922     14.29352     13.73282         0.023982     -0.041550      0.035642
      9.39349     17.71755      0.35378        -0.061402      0.039173      0.072035
      9.78776     15.80802     20.37429        -0.026946      0.134783     -0.180279
     11.67886     18.20232     17.35215        -0.098380     -0.069857      0.101547
      8.80572      0.08536      3.26604         0.178684     -0.001448     -0.175079
     11.10890      0.58821     20.26242         0.019054      0.039896     -0.226854
     10.54593      2.52879      0.20170         0.016136     -0.150544      0.143044
      6.97127     10.66301     15.85599         0.054184      0.050555     -0.096250
      7.38325      7.32998     19.57161         0.101538      0.043339     -0.091962
      7.42981      9.71180     20.06364         0.180042      0.047136      0.041826
      7.26155     12.79472     16.43860        -0.063979      0.014769     -0.066566
      7.24354     11.45325     20.57370         0.092024     -0.125030     -0.023964
      7.33564     13.74273      0.09155        -0.033532     -0.047607     -0.072041
      9.26939     19.87466     15.77117         0.099930      0.159014     -0.017738
      8.63226     17.68517     16.12640         0.073193     -0.037425     -0.011032
      6.51543     18.86603     19.64780         0.147607      0.104447     -0.035763
     10.32486      2.94663     14.44176        -0.078344     -0.211869      0.371985
      8.16940      2.01080     18.71978         0.112927     -0.054944      0.084435
      9.08289      4.14203     18.35737        -0.182479      0.243281      0.057654
      6.78890     12.96962      8.82021         0.024428     -0.057238      0.063541
      7.35393     11.46335      4.07999        -0.129052      0.016944      0.165392
      7.50948     13.81587      4.63997        -0.100385      0.085300     -0.076206
      6.95332     15.18884      9.18429         0.061169     -0.013019      0.062993
      7.64137     15.59456      4.92741        -0.155803     -0.066734     -0.129920
      7.71598     18.00050      5.12402        -0.089469     -0.033040      0.111402
      6.70338      0.32425     13.03558        -0.161947      0.032863      0.112241
      6.83232     19.66422     11.79855         0.053660      0.005037     -0.170104
      8.59651      0.64040      8.58564        -0.087152      0.014855      0.181736
      6.20969      3.87597     15.87674         0.185558      0.150128     -0.187282
      8.49525      4.39731     11.60119         0.008750     -0.024000     -0.277934
      8.10068      6.31885     12.89933        -0.042969     -0.125488      0.021694
      3.70798     14.37038      8.88832         0.190341      0.036429     -0.112597
      4.72208     11.37644     12.74095         0.120876      0.009901     -0.167316
      4.74064     13.78522     13.05521         0.108522      0.060683     -0.002230
      3.76782     16.47718      9.17220         0.032829     -0.052141      0.028475
      5.07946     15.65914     13.24053         0.038005     -0.148440      0.040929
      5.11679     18.04320     13.73796        -0.043194     -0.078013     -0.152039
      5.58257      2.35746      7.51014         0.155126      0.115997     -0.042422
      4.78061      0.27514      7.96055         0.108314      0.054275      0.084476
      3.71642      1.58657     11.87969         0.250274     -0.083787     -0.045992
      7.23143      6.43966      6.12639        -0.221712      0.113641      0.087294
      5.64589      5.87816     10.69414         0.133007     -0.119442      0.011568
      6.11206      8.01709      9.97664         0.053394     -0.105201     -0.114205
      2.03449     16.33709      3.32754        -0.066708     -0.019461     -0.138633
      0.08042     14.76080     20.23077        -0.012423     -0.044230      0.324469
      0.25760     17.10651     20.68386        -0.062384      0.049343     -0.002415
      1.70263     18.73671      3.70396         0.031541     -0.022831     -0.010458
      0.20478     18.80168     20.87356        -0.027819     -0.051053      0.001276
     -0.10912     -0.07525     20.97481        -0.011116      0.038221      0.015919
      2.55279      4.03532      6.94049         0.045699      0.123187     -0.063977
      2.31364      2.08933      5.83494         0.012925      0.098709     -0.195732
      0.30429      4.19047      2.66733         0.054116     -0.007968      0.142872
      3.23978      7.68407      9.57648        -0.015368     -0.002997     -0.271384
      1.66855      8.25249      4.98658        -0.005653     -0.067965     -0.079169
      2.42658     10.15490      6.19452         0.092372     -0.164470     -0.016091
      3.64871     17.04803     20.56958        -0.055467     -0.011406      0.035354
      5.83169     13.88720      2.51516        -0.145056      0.010458     -0.115879
      5.84175     16.25053      2.96311        -0.026753      0.007461      0.143525
      3.58417     19.38615      0.12563         0.044211      0.029677     -0.028888
      5.89253     17.88904      3.48281        -0.076305     -0.023778      0.058241
      6.20390     20.11023      4.33028        -0.207145      0.082519     -0.089837
      2.12771      5.65037      0.28674         0.018882      0.064914     -0.269549
      2.53338      3.37443      0.36623         0.061917     -0.037033     -0.128886
      5.24904      3.97679      3.64049        -0.167083      0.070667     -0.130130
      0.80767     10.21579      0.45451         0.063454     -0.051484      0.201566
      4.72374      8.78263      2.90812         0.212603     -0.138080     -0.009367
      3.92591     10.94344      3.29616         0.068755      0.034379     -0.175098
     20.13918     19.49716     15.32367        -0.033048     -0.026949      0.134467
     16.56298     17.89782     12.19487         0.074217      0.055878      0.088146
     17.10024     20.27986     12.33469        -0.050804      0.076305      0.027182
     20.43392      0.33997     15.48124        -0.054524     -0.019592      0.183100
     17.04723      0.87062     12.82456        -0.080175     -0.100470     -0.049786
     17.06440      3.28467     13.24086         0.036691     -0.073937      0.006884
      2.27591      6.64051     17.97067         0.057330      0.168393     -0.152987
      1.24945      4.72768     17.15005        -0.050952      0.124597      0.106345
     18.90560      6.94787     16.63571         0.016429      0.080620     -0.063853
      4.62371     10.17915     19.84735        -0.383070      0.226480      0.012830
      0.05896     10.75235     18.21592         0.088389     -0.035834      0.060794
      1.14429     12.58711     19.15670        -0.014460      0.149722     -0.052113
      0.70263     21.20461     12.99788         0.058134     -0.121822      0.087007
      3.44286     17.94077     15.65185        -0.078000      0.096996      0.107727
      3.60062     20.34361     16.14351        -0.047524      0.137731     -0.043776
      1.06232      1.99585     13.33719        -0.115225      0.015308     -0.061884
      3.40260      0.95537     16.85432        -0.104972     -0.099590     -0.100216
      4.03720      3.27709     17.14376        -0.157345     -0.058448     -0.065775
     19.97875      8.90105     13.78781         0.011570      0.102695      0.027027
     20.94753      6.80423     13.48851        -0.020561      0.145678      0.196289
      3.38525      8.28225     15.02056        -0.070251     -0.011326      0.170931
     17.92174     13.12665     13.95832         0.066613     -0.162243     -0.136600
      1.33339     12.50826     15.21245        -0.061030      0.004327      0.110717
      0.40464     14.62914     15.43669        -0.248725     -0.115982     -0.141322
     17.51405      2.47214      7.61023        -0.033328     -0.020467      0.076593
     14.88319      1.01114      3.62024         0.192956      0.027527      0.008974
     14.96605      3.37397      4.22971         0.007617      0.084450     -0.035298
     17.62771      4.71908      7.89506        -0.147329     -0.000184      0.231612
     14.86118      5.11188      4.59405         0.020761     -0.061590     -0.069560
     14.90095      7.51980      4.80096         0.187673     -0.025355      0.031959
     20.19020     10.94496     10.85884        -0.042699      0.006561      0.075656
     19.21764      9.05549      9.95443        -0.241699      0.166354     -0.077864
     16.42528     11.56376      7.86392         0.175424      0.056658      0.095392
      1.41638     14.45790     12.42544        -0.018496      0.049380      0.091534
     18.23755     15.07157     10.55180        -0.139731      0.065920     -0.062504
     19.42702     16.98810     11.27105         0.084416     -0.152110      0.124680
     19.37674      4.49026      5.20182        -0.103341      0.055637      0.111311
      0.12203      0.83069      7.96878        -0.095213      0.038865      0.107142
     -0.07628      3.09578      8.91312        -0.004540      0.121639      0.119289
     19.39938      6.27928      5.88736        -0.058275      0.006145      0.059309
     -0.31548      5.08368      9.72985         0.060131     -0.148513      0.029446
      0.40514      7.36700     10.17765        -0.158985      0.012384     -0.035298
     18.40638     13.49243      4.89902         0.066083      0.090860      0.030483
     18.96202     11.24940      5.14068         0.031876      0.123753      0.220704
      0.59511     12.33301      8.13024        -0.145865      0.007428     -0.064503
     17.38133     17.89130      3.95685         0.136951     -0.059711      0.172986
     20.22404     16.68875      7.73113        -0.085349     -0.111908      0.107169
     19.17955     18.78151      7.77747        -0.089000     -0.104760     -0.218782
     13.86278     19.28879     10.73610         0.076326     -0.159957     -0.053000
     19.24362     21.09437      3.46045         0.095478      0.259471      0.299206
     12.85222      1.21461      2.64577         0.040333      0.093069     -0.063529
     13.64347     11.53269      4.52039         0.104794      0.092078     -0.408959
      9.53945      2.61174      2.78755         0.057848      0.024436      0.185047
     10.47553     12.76891      5.32396        -0.144351      0.042246      0.140661
     10.14091      5.12010     15.95029        -0.046278     -0.217892      0.000612
     10.79750     15.63166     17.80629         0.082112      0.220853     -0.070999
      7.05191      6.40435     15.44904        -0.073126      0.176314     -0.056963
      7.29230     16.64906     18.24166        -0.123414     -0.089422      0.090112
      6.77616      8.89213      7.46115        -0.073451      0.191731     -0.026601
      7.53520     19.42300      9.13927         0.015488     -0.130490     -0.252139
      3.49066     10.16965      8.81198         0.012735      0.072474      0.048951
      4.12232     20.53548     10.44981        -0.025140     -0.310983      0.179688
      1.73881     12.20987      1.92024         0.097946     -0.056613     -0.277471
      1.20075      1.69890      3.35229        -0.108324     -0.018604     -0.209761
      3.65376     12.73463     20.30080        -0.155152     -0.296257     -0.056244
      4.32324      1.94307      2.00052         0.098597      0.110531      0.160278
     19.13714     15.43963     14.58726        -0.231903     -0.014409     -0.105108
     20.02467      4.53329     16.04388        -0.326680     -0.076048     -0.129034
      0.61897     16.98232     12.60821         0.222096     -0.224771      0.128003
      2.05632      5.93859     14.41260         0.248408     -0.037622      0.181665
     17.40761     19.79838      5.91193         0.141439      0.048980      0.027684
     17.21800      8.95021      8.08223        -0.071375     -0.107945     -0.105411
     19.50179      0.49497      4.20477        -0.129312     -0.216711     -0.359913
     20.56894     10.14704      7.07026         0.158358     -0.133825      0.314640
     12.41929      2.31600      4.68830         0.009985      0.059362      0.044493
     13.67256      1.00763      0.43131         0.235460     -0.414628     -0.572528
     13.21872      9.77138      6.03448         0.031440     -0.104104      0.228048
     13.93317     12.58194      2.40201         0.152685      0.575150     -0.359217
      9.54387      4.43942      1.29928         0.027245      0.034753      0.033364
      9.32905      1.46400      4.85018         0.130215      0.061249      0.050592
     10.26989     11.78140      3.19273         0.015273     -0.017456      0.113502
     10.15163     12.93847      7.66269        -0.046634      0.523567      0.745942
     10.05658      6.16859     18.03289        -0.117522      0.005650      1.978589
     10.87473      4.90395     13.71161         0.334416     -0.833601     -1.138565
     10.63598     13.90243     19.40311         0.022433     -0.100234      0.281518
     11.06793     16.63738     15.68154         0.032390      0.380457     -0.267067
      6.89959      8.24234     13.97991         0.059833      0.098991     -0.180280
      6.64811      5.30259     17.48890         0.028777     -0.633956      0.533000
      7.32252     15.76631     16.05469        -0.085663      0.013923     -0.260222
      7.07023     16.66842     20.58202        -0.030083      0.376681      0.690649
      6.80860     10.03734      9.53056         0.029270      0.045439      0.289526
      7.08678      8.66951      5.12849         0.034319     -0.181824     -0.119373
      7.47618     17.70092     10.75462        -0.015018     -0.126255      0.439435
      7.67602     20.38885      6.98488        -0.103102      0.029720     -0.044113
      3.17525     11.94686      7.31408        -0.015347      0.161333     -0.423754
      3.84140      9.11670     10.92310         0.072040     -0.206594      0.186932
      3.93319     19.40609      8.37092        -0.038785     -0.041164      0.818094
      4.30888     20.78255     12.78333         0.008482     -0.321911     -0.294852
      2.92357     13.30903      3.64461         0.343915     -0.161751      0.526452
      0.11340     12.05093      0.18340         0.110380      0.198840      0.236954
      2.26957      0.19328      4.83022         0.237687     -0.103349      0.313595
      0.06537      2.42020      1.40637        -0.003985     -0.037280     -0.098163
      2.99346     14.49897     18.89564        -0.422770      0.303003     -0.679948
      4.98157     11.67149      0.68209         0.088547     -0.196528      0.023773
      3.20222      1.13854      0.08508        -0.254105      0.160648     -0.355030
      5.81926      1.80880      3.84205         0.024043      0.104999      0.031611
     -0.59363     16.63095     15.93715        -0.074964      0.022083     -0.051249
     17.14891     15.11944     13.32687        -0.539231     -0.529533     -0.304745
     -0.06353      2.76915     17.09273         0.040517      0.053661     -0.035313
     18.33530      5.55871     14.74526        -0.297391      0.606908     -0.190977
     21.08263     18.80544     11.36519        -0.244237      0.229140     -0.132780
      2.08759     15.78759     14.03388         0.321818     -0.480841      0.263833
      0.51214      4.86596     12.97282         0.458965     -0.046964      0.647397
      4.02366      6.09791     15.70581        -0.073388      0.068077      0.191839
     18.19117     20.75848      7.93431         0.242779     -0.004107      0.369174
     15.97370     19.58101      4.05069        -0.131389     -0.281698     -0.467320
     18.00862      7.23226      9.50614         0.100181     -0.120810      0.408968
     16.16678      9.92393      6.21296        -0.091204      0.099773     -0.077047
     18.52479      2.39729      3.29758        -0.077361      0.206337     -0.129021
     20.64541     20.25948      5.55633         0.143559     -0.222631      0.180044
     19.23519      9.19098      5.37537         0.291449     -0.154305      0.578722
      0.65943     10.22485      9.02534        -0.835793     -0.789613     -0.870628
     14.02773     17.45837      5.36364        -0.068538     -0.146626      0.025128
     15.94673     16.48339      5.68883         0.203152     -0.085201     -0.020892
     14.82638     16.14232      3.84480        -0.041710      0.019204     -0.055227
     11.90485     15.35984     11.49843        -0.046386     -0.142554     -0.154708
     11.43104     14.54640      9.53601        -0.093802     -0.154481     -0.081730
     13.21968     13.86170     10.64243         0.008241     -0.080810     -0.026659
     11.96160     17.93930      7.21705         0.009213      0.045538      0.001841
     10.01826     18.55300      6.44419        -0.230574      0.002193     -0.022657
     10.17029     16.82445      7.75324         0.220255      0.149150     -0.160115
     13.27493     18.54385      0.11134         0.179368     -0.057941      0.131193
     14.16894     17.12500      1.51175         0.082690     -0.026815      0.022035
     12.09603     16.89456      0.84840        -0.011101     -0.016754     -0.082120
     11.01788      0.32266     18.32923        -0.124259     -0.100731     -0.011128
     12.90835     -0.46972     19.05799         0.187213     -0.124076      0.179106
     12.10558     20.15888     17.12524         0.106417     -0.031927      0.161952
      8.49639     19.33834      3.47935        -0.087969     -0.017213     -0.203707
      7.72059     18.79456      1.48760        -0.294048     -0.250125     -0.141328
      9.58262     17.94810      2.25896         0.061380      0.052948     -0.035121
      7.60973      0.85097     20.35993         0.196241      0.036488     -0.064004
      5.88970      1.01584     19.01405         0.037364      0.095553     -0.188606
      6.00682     20.66122     20.47624         0.130938      0.204814     -0.224309
     10.08232      1.26659     13.33044         0.146072     -0.113735      0.060999
     11.12680     -0.04141     14.75096        -0.162820      0.077826     -0.047459
      9.10984     20.73617     14.03679         0.232839      0.267062      0.142312
      8.58132      4.01440      9.58999        -0.080104      0.069412      0.009422
     10.22322      3.01880     10.62801         0.257810      0.054796      0.085710
      9.65255      2.41848      8.59290         0.167506     -0.001474      0.394986
      6.06826      1.89597     16.19953        -0.099012     -0.033813     -0.221835
      5.07515      1.27580     14.34870        -0.028993      0.148533      0.168346
      7.01876      0.50904     14.85208         0.007830      0.033693      0.168704
      4.92079      5.10191     12.13941        -0.061547     -0.052847     -0.113506
      2.96504      4.21418     11.73356        -0.018451     -0.161839      0.141503
      4.40403      3.22829     13.03631        -0.124188      0.139846     -0.229141
      7.20848      4.46977      5.29868         0.027617     -0.068663      0.358154
      7.42732      2.94915      6.85653         0.173733     -0.088638     -0.143545
      5.44648      3.46150      6.04082         0.048622      0.131839     -0.013679
     -0.58381      7.24164      4.48245        -0.199659      0.153986      0.349329
      0.97938      7.41344      3.04568         0.008800     -0.191354      0.121372
     -0.70757      6.01775      2.72306         0.056517     -0.009338      0.199255
      3.23162      5.71717      9.88725        -0.148207     -0.002684     -0.358965
      1.80325      4.52663      8.80706        -0.165904     -0.101018     -0.012469
      3.80659      4.76325      7.98976        -0.155694      0.077696      0.181483
      6.13028      6.97102      3.54164        -0.042485     -0.108983      0.043328
      4.18575      7.53712      4.44600         0.098591     -0.087469     -0.068922
      5.09363      5.71536      5.04031         0.064398     -0.115360      0.108983
      0.07423      8.64873     20.77630         0.085048     -0.503802      0.270312
      1.59755      7.17939     -1.00804         0.366694     -0.203649      0.097214
      0.32280      6.81902      0.67138        -0.421922     -0.140057      0.136464
     19.43510      9.39641     19.09544        -0.180151      0.038737     -0.077297
     19.71756     10.32280     17.12747         0.102523      0.136026     -0.121005
     18.25018      8.75996     17.35728        -0.179684     -0.009437      0.253843
      4.87490      8.17404     19.97476         0.048185     -0.115865      0.188159
      3.77922      6.75650     18.81327         0.015242      0.000503      0.292357
      4.76685      8.37053     17.77917         0.061681      0.026310     -0.322136
      3.34681     11.46201     14.31828        -0.138263      0.072456      0.047190
      2.60393     11.57822     16.36278        -0.145099     -0.095967      0.063816
      4.02996     10.05031     15.83442        -0.296786      0.148375     -0.239209
     17.30738     11.28689     13.19010         0.036077     -0.008363      0.244780
     18.84086      9.89487     12.60599         0.008880     -0.063186     -0.034111
     18.02784      9.81064     14.64002        -0.014655      0.009625      0.066287
     16.22477     14.17667      9.86866        -0.164646      0.090610      0.045483
     17.77714     14.93648      8.52376         0.230493      0.046370     -0.058046
     16.24737     13.65087      7.72963         0.051069     -0.008198      0.062957
      1.79421     12.53793     12.41142        -0.152238     -0.126322     -0.210946
      0.36101     11.05098     11.84532         0.098376      0.175320      0.135084
      1.38517     12.18463     10.29252         0.064459      0.106063      0.061202
      1.27675     15.66529      7.04495        -0.045565      0.086167     -0.105433
      0.06959     15.70928      8.87631        -0.022748     -0.094836     -0.062228
      1.50958     14.13950      8.59644        -0.018343      0.221951     -0.260591
     17.42042     16.18913      2.69877         0.182209     -0.012668      0.019519
     18.96348     14.70127      3.06415         0.190152      0.013981     -0.008214
     17.02790     14.57147      4.10589         0.061520     -0.029386     -0.200658
 -----------------------------------------------------------------------------------
    total drift:                                0.005013      0.010276      0.001864


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4570.7641768110 eV

  energy  without entropy=    -4570.9143427575  energy(sigma->0) =    -4570.81423213
 
 d Force = 0.5393391E-02[-0.574E-04, 0.108E-01]  d Energy = 0.5435892E-02-0.425E-04
 d Force = 0.8752366E+02[ 0.875E+02, 0.876E+02]  d Ewald  = 0.8752366E+02-0.414E-05


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   60(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.3287147E+00  (-0.4530764E+02)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6724357 magnetization 

  free energy =  -0.457043546064E+04  energy without entropy=  -0.457058629133E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   60(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) :-0.9796786E+00  (-0.1185420E+01)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.7325272 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8574
  0.8574

  free energy =  -0.457141513927E+04  energy without entropy=  -0.457156408882E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   60(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3712
 total energy-change (2. order) : 0.3998427E-01  (-0.2456173E-01)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6915060 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4167
  1.0840  1.7494

  free energy =  -0.457137515501E+04  energy without entropy=  -0.457152525207E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   60(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) :-0.3619987E-02  (-0.2180060E-01)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6450640 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2794
  2.1925  0.8228  0.8228

  free energy =  -0.457137877499E+04  energy without entropy=  -0.457152744939E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   60(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) :-0.9097606E-03  (-0.4198376E-02)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6569194 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3144
  2.3773  0.9941  0.9941  0.8920

  free energy =  -0.457137968476E+04  energy without entropy=  -0.457152945436E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   60(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3520
 total energy-change (2. order) : 0.1937513E-02  (-0.2291710E-02)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6645825 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2328
  2.4038  1.0764  1.0764  0.8037  0.8037

  free energy =  -0.457137774724E+04  energy without entropy=  -0.457152661438E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   60(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) :-0.9399539E-04  (-0.5399620E-03)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6662808 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2150
  2.3900  0.9481  0.9481  1.1904  1.1904  0.6230

  free energy =  -0.457137784124E+04  energy without entropy=  -0.457152754064E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   60(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3496
 total energy-change (2. order) : 0.1194066E-03  (-0.7686482E-04)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6698021 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2155
  2.4471  1.0847  1.0847  1.2345  1.2345  0.8447  0.5784

  free energy =  -0.457137772183E+04  energy without entropy=  -0.457152712757E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   60(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3616
 total energy-change (2. order) :-0.2590465E-04  (-0.6985361E-04)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6679574 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2127
  2.5025  1.0291  1.0291  1.4010  1.2826  0.9351  0.9351  0.5869

  free energy =  -0.457137774774E+04  energy without entropy=  -0.457152715062E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   60(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) :-0.2233640E-04  (-0.9762247E-05)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6676724 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2149
  2.5741  1.8239  1.0575  1.0575  1.1334  0.9735  0.9735  0.7534  0.5871

  free energy =  -0.457137777007E+04  energy without entropy=  -0.457152720709E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   60(  11)  ---------------------------------------



 eigenvalue-minimisations  :  2808
 total energy-change (2. order) :-0.2256519E-04  (-0.3255106E-05)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6676550 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2211
  2.6269  1.9403  1.0371  1.0371  1.3425  0.9387  0.9387  0.9666  0.7906  0.5922

  free energy =  -0.457137779264E+04  energy without entropy=  -0.457152720115E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   60(  12)  ---------------------------------------



 eigenvalue-minimisations  :  2256
 total energy-change (2. order) :-0.2228084E-04  (-0.4493417E-06)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6676322 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2616
  2.6458  2.2713  1.0406  1.0406  1.4164  1.3020  0.9555  0.9555  0.9417  0.7156
  0.5930

  free energy =  -0.457137781492E+04  energy without entropy=  -0.457152722211E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   60(  13)  ---------------------------------------



 eigenvalue-minimisations  :  2280
 total energy-change (2. order) :-0.2274688E-04  (-0.3952753E-06)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6677073 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2919
  2.9607  2.4822  1.4660  1.4660  1.0293  1.0293  0.9565  0.9565  0.9328  0.9328
  0.5919  0.6989

  free energy =  -0.457137783767E+04  energy without entropy=  -0.457152723679E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   60(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2240
 total energy-change (2. order) :-0.1316360E-04  (-0.2310757E-06)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6676652 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3557
  3.5590  2.5564  1.6265  1.6265  1.0403  1.0403  1.0734  1.0734  0.9557  0.9557
  0.8394  0.5919  0.6860

  free energy =  -0.457137785083E+04  energy without entropy=  -0.457152724186E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   60(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2240
 total energy-change (2. order) :-0.6735121E-05  (-0.1420533E-06)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6676652 magnetization 

  free energy =  -0.457137785756E+04  energy without entropy=  -0.457152724674E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0575       2 -56.1219       3 -56.0253       4 -55.8316       5 -55.8097
       6 -56.2855       7 -58.1692       8 -58.2191       9 -56.2598      10 -55.9400
      11 -56.0199      12 -55.7918      13 -55.8137      14 -56.0118      15 -58.1150
      16 -58.0493      17 -56.3807      18 -54.9941      19 -54.8932      20 -55.1231
      21 -55.6550      22 -55.6375      23 -55.6594      24 -55.6129      25 -54.9855
      26 -54.7661      27 -54.9306      28 -54.9427      29 -60.3861      30 -60.3748
      31 -55.6502      32 -55.7980      33 -55.6944      34 -55.3263      35 -55.4724
      36 -55.9679      37 -57.7923      38 -57.9977      39 -56.0509      40 -55.7502
      41 -55.8743      42 -55.6627      43 -55.7122      44 -55.8823      45 -58.0905
      46 -58.1073      47 -56.4522      48 -55.1227      49 -54.9453      50 -55.2728
      51 -55.8912      52 -55.8575      53 -55.7641      54 -55.7323      55 -55.0844
      56 -54.8497      57 -55.0047      58 -56.3740      59 -60.3628      60 -60.6167
      61 -55.9757      62 -56.0225      63 -55.9053      64 -55.7759      65 -55.7442
      66 -56.2306      67 -58.1358      68 -58.0929      69 -56.2207      70 -55.8828
      71 -55.9930      72 -55.7030      73 -55.6816      74 -55.9379      75 -58.0855
      76 -58.0926      77 -56.4348      78 -55.1003      79 -54.9464      80 -55.2393
      81 -55.8622      82 -55.8625      83 -55.8768      84 -55.8997      85 -55.2286
      86 -55.0370      87 -55.2005      88 -56.4359      89 -60.6846      90 -60.4402
      91 -55.6999      92 -55.8158      93 -55.7066      94 -55.4748      95 -55.5190
      96 -56.0310      97 -57.8513      98 -57.9863      99 -56.1483     100 -55.8571
     101 -55.9980     102 -55.6602     103 -55.7274     104 -55.9399     105 -58.1238
     106 -58.1719     107 -56.4604     108 -55.1336     109 -54.9759     110 -55.3980
     111 -55.9762     112 -55.8973     113 -55.8069     114 -55.8290     115 -55.1115
     116 -54.9430     117 -55.0367     118 -56.3647     119 -60.4454     120 -60.6279
     121 -55.9477     122 -55.9859     123 -55.8361     124 -55.7570     125 -55.7409
     126 -56.1597     127 -58.0591     128 -58.1685     129 -56.1089     130 -55.7581
     131 -55.8749     132 -55.6488     133 -55.5929     134 -55.8141     135 -57.9091
     136 -57.9872     137 -56.4182     138 -55.0621     139 -54.8741     140 -55.2700
     141 -55.8747     142 -55.8334     143 -55.9123     144 -55.8860     145 -55.1955
     146 -55.1107     147 -55.2265     148 -56.4410     149 -60.5457     150 -60.5896
     151 -55.6218     152 -55.6454     153 -55.4774     154 -55.3438     155 -55.4120
     156 -55.8701     157 -57.9323     158 -57.8272     159 -55.9771     160 -55.7139
     161 -55.8704     162 -55.5011     163 -55.5695     164 -55.7853     165 -57.9724
     166 -58.1159     167 -56.4468     168 -55.0624     169 -54.8501     170 -55.3117
     171 -55.9233     172 -55.9007     173 -55.8654     174 -55.7857     175 -55.3395
     176 -54.8663     177 -55.0539     178 -56.5108     179 -60.4801     180 -60.6310
     181 -55.9130     182 -56.0787     183 -55.9307     184 -55.6915     185 -55.6761
     186 -56.2325     187 -58.0290     188 -58.1719     189 -56.2380     190 -55.8502
     191 -55.9974     192 -55.7219     193 -55.7102     194 -55.9384     195 -58.0597
     196 -58.1538     197 -56.5306     198 -55.1007     199 -54.9533     200 -55.2967
     201 -55.9062     202 -55.9396     203 -55.9111     204 -55.8728     205 -55.1444
     206 -55.2275     207 -55.1886     208 -56.4646     209 -60.7479     210 -60.4935
     211 -55.9475     212 -56.0586     213 -55.9201     214 -55.7338     215 -55.6713
     216 -56.2113     217 -58.0843     218 -58.1652     219 -56.1037     220 -55.7796
     221 -55.8800     222 -55.5508     223 -55.4842     224 -55.7980     225 -57.9567
     226 -58.0553     227 -56.5481     228 -55.1202     229 -55.0211     230 -55.2935
     231 -55.7851     232 -55.8861     233 -55.8911     234 -55.7202     235 -54.9882
     236 -55.0861     237 -55.1964     238 -56.4551     239 -60.3697     240 -60.3759
     241 -55.9720     242 -56.0021     243 -55.8676     244 -55.7571     245 -55.7440
     246 -56.1804     247 -58.0940     248 -58.1185     249 -56.1680     250 -55.8385
     251 -55.9588     252 -55.7207     253 -55.7281     254 -55.9011     255 -57.9980
     256 -58.0512     257 -56.3427     258 -55.0421     259 -54.8219     260 -55.2014
     261 -55.7923     262 -55.7973     263 -55.8958     264 -55.9317     265 -55.3379
     266 -54.9756     267 -55.1695     268 -56.4270     269 -60.6283     270 -60.3622
     271 -55.9110     272 -55.9798     273 -55.8223     274 -55.7146     275 -55.6709
     276 -56.0981     277 -58.1196     278 -58.1280     279 -55.9517     280 -55.6448
     281 -55.7467     282 -55.5111     283 -55.5105     284 -55.7965     285 -58.0378
     286 -58.0168     287 -56.4264     288 -55.0427     289 -54.9426     290 -55.2599
     291 -55.8985     292 -55.8606     293 -55.8507     294 -55.8450     295 -55.2161
     296 -54.9582     297 -55.0660     298 -56.4406     299 -60.4651     300 -60.5891
     301 -55.8688     302 -56.0057     303 -55.8879     304 -55.5997     305 -55.6233
     306 -56.1312     307 -58.0480     308 -58.2153     309 -56.1432     310 -55.8084
     311 -55.9482     312 -55.6646     313 -55.6427     314 -55.8769     315 -57.9833
     316 -58.0435     317 -56.4053     318 -55.0029     319 -54.7748     320 -55.2459
     321 -55.7892     322 -55.7273     323 -55.8642     324 -55.8970     325 -55.2117
     326 -55.0722     327 -55.2366     328 -56.4512     329 -60.5833     330 -60.4280
     331 -55.7905     332 -55.8183     333 -55.7046     334 -55.6273     335 -55.6007
     336 -56.0578     337 -57.9524     338 -57.9376     339 -55.9332     340 -55.5916
     341 -55.7483     342 -55.5374     343 -55.5436     344 -55.7763     345 -57.9772
     346 -57.9422     347 -56.4842     348 -55.0243     349 -54.9563     350 -55.2715
     351 -55.8492     352 -55.8308     353 -55.7921     354 -55.7814     355 -55.2459
     356 -54.9130     357 -55.0311     358 -56.4648     359 -60.4849     360 -60.5703
     361 -39.1011     362 -38.8142     363 -38.9902     364 -39.0396     365 -38.9524
     366 -38.7397     367 -38.1144     368 -38.0712     369 -38.0852     370 -38.0962
     371 -38.1679     372 -38.1744     373 -38.7313     374 -38.2829     375 -38.6584
     376 -38.8059     377 -38.8369     378 -38.7317     379 -38.1459     380 -38.1111
     381 -38.2326     382 -38.0484     383 -38.2338     384 -37.9743     385 -38.8360
     386 -38.7942     387 -38.8996     388 -38.8273     389 -38.8255     390 -38.5216
     391 -38.2319     392 -38.1762     393 -38.1850     394 -38.1316     395 -38.2757
     396 -38.2977     397 -38.7322     398 -38.4200     399 -38.7171     400 -38.8508
     401 -38.7788     402 -38.7541     403 -38.1809     404 -38.1826     405 -38.3993
     406 -38.0607     407 -38.1066     408 -37.9742     409 -38.7532     410 -38.7400
     411 -38.9752     412 -38.7105     413 -38.8964     414 -38.6007     415 -38.2400
     416 -38.2388     417 -38.1288     418 -38.1066     419 -38.2594     420 -38.3443
     421 -38.5390     422 -38.2964     423 -38.5240     424 -38.7170     425 -38.5954
     426 -38.6166     427 -38.2480     428 -38.0752     429 -38.3203     430 -38.2639
     431 -38.0503     432 -37.9775     433 -38.7572     434 -38.6861     435 -38.9163
     436 -38.6925     437 -38.9400     438 -38.6710     439 -38.4581     440 -38.1186
     441 -38.2211     442 -38.1704     443 -38.2430     444 -38.0900     445 -38.8418
     446 -38.7986     447 -38.9431     448 -38.7041     449 -38.7828     450 -38.3348
     451 -38.1515     452 -37.9959     453 -38.0910     454 -37.9696     455 -38.1646
     456 -38.1858     457 -38.9045     458 -38.6793     459 -38.8759     460 -38.8738
     461 -38.8833     462 -38.6756     463 -38.1268     464 -38.2636     465 -38.1920
     466 -38.4513     467 -38.1294     468 -38.2682     469 -38.8573     470 -38.7382
     471 -38.7051     472 -38.8080     473 -38.5654     474 -38.4264     475 -38.2054
     476 -38.0716     477 -38.1850     478 -38.1124     479 -38.1816     480 -37.9672
     481 -38.8605     482 -38.7364     483 -38.8988     484 -38.8420     485 -38.9164
     486 -38.7527     487 -38.1573     488 -38.1578     489 -38.1939     490 -38.3235
     491 -38.2733     492 -38.3401     493 -38.8205     494 -38.5699     495 -38.6942
     496 -38.7269     497 -38.5888     498 -38.5295     499 -38.1696     500 -37.9315
     501 -38.1774     502 -38.1322     503 -38.1465     504 -37.9526     505 -38.2164
     506 -41.1442     507 -71.6845     508 -71.6006     509 -71.4258     510 -71.5941
     511 -71.5375     512 -71.5768     513 -71.4006     514 -71.5979     515 -71.6016
     516 -71.4621     517 -71.3928     518 -71.4699     519 -71.5883     520 -71.6674
     521 -71.5098     522 -71.5095     523 -71.5640     524 -71.5088     525 -71.6027
     526 -71.4523     527 -71.6257     528 -71.5355     529 -71.2549     530 -71.5299
     531 -76.8754     532 -76.8185     533 -76.6628     534 -76.7527     535 -76.6431
     536 -76.4360     537 -76.7858     538 -76.7572     539 -76.6801     540 -76.8328
     541 -76.6994     542 -76.7131     543 -76.6376     544 -76.5187     545 -76.8265
     546 -76.8026     547 -76.7966     548 -76.7050     549 -76.5898     550 -76.5348
     551 -76.4673     552 -76.6131     553 -76.8471     554 -76.6857     555 -76.7087
     556 -76.7387     557 -76.7647     558 -76.6886     559 -76.7664     560 -76.7759
     561 -76.6550     562 -76.5717     563 -76.7523     564 -76.7484     565 -76.6902
     566 -76.6326     567 -76.7421     568 -76.7992     569 -76.7879     570 -76.6697
     571 -76.8535     572 -76.7104     573 -76.6504     574 -76.6188     575 -76.5283
     576 -76.5587     577 -76.5777     578 -76.5348     579 -82.2795     580 -82.3667
     581 -82.3511     582 -82.2858     583 -82.2971     584 -82.2979     585 -82.5107
     586 -82.5590     587 -82.5199     588 -82.1805     589 -82.1825     590 -82.3773
     591 -82.3589     592 -82.2307     593 -82.3580     594 -82.6129     595 -82.6348
     596 -82.6467     597 -82.5656     598 -82.4656     599 -82.5351     600 -82.3160
     601 -82.1903     602 -82.2919     603 -82.5535     604 -82.4409     605 -82.5675
     606 -82.3596     607 -82.3487     608 -82.5768     609 -82.6998     610 -82.3638
     611 -82.4857     612 -82.4194     613 -82.3599     614 -82.3227     615 -82.5392
     616 -82.4264     617 -82.3523     618 -82.7077     619 -82.8689     620 -82.6943
     621 -82.2500     622 -82.3611     623 -82.3741     624 -82.2133     625 -82.4490
     626 -82.2073     627 -82.1427     628 -82.2775     629 -82.3299     630 -82.3843
     631 -82.7245     632 -82.4324     633 -82.4791     634 -82.5475     635 -82.4316
     636 -82.3062     637 -82.4354     638 -82.2927     639 -82.2958     640 -82.3787
     641 -82.3889     642 -82.3706     643 -82.5458     644 -82.4725     645 -82.4459
     646 -82.4808     647 -82.5581     648 -82.3626     649 -82.3967     650 -82.3246
 
 
 
 E-fermi :  -1.4589     XC(G=0):  -6.4985     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.2222      2.00000
      2     -28.9669      2.00000
      3     -28.9565      2.00000
      4     -28.9283      2.00000
      5     -28.9138      2.00000
      6     -28.9031      2.00000
      7     -28.8870      2.00000
      8     -28.8506      2.00000
      9     -28.8445      2.00000
     10     -28.8438      2.00000
     11     -28.8246      2.00000
     12     -28.8150      2.00000
     13     -28.7791      2.00000
     14     -28.7778      2.00000
     15     -28.7184      2.00000
     16     -28.7015      2.00000
     17     -28.6857      2.00000
     18     -28.6802      2.00000
     19     -28.6704      2.00000
     20     -28.6412      2.00000
     21     -28.6180      2.00000
     22     -28.5738      2.00000
     23     -28.5729      2.00000
     24     -28.5683      2.00000
     25     -26.8967      2.00000
     26     -26.8754      2.00000
     27     -26.7395      2.00000
     28     -26.6770      2.00000
     29     -26.6669      2.00000
     30     -26.6552      2.00000
     31     -26.5980      2.00000
     32     -26.5927      2.00000
     33     -26.5653      2.00000
     34     -26.5645      2.00000
     35     -26.5631      2.00000
     36     -26.5616      2.00000
     37     -26.5596      2.00000
     38     -26.5584      2.00000
     39     -26.5482      2.00000
     40     -26.5246      2.00000
     41     -26.5205      2.00000
     42     -26.5135      2.00000
     43     -26.5075      2.00000
     44     -26.5031      2.00000
     45     -26.4944      2.00000
     46     -26.4807      2.00000
     47     -26.4657      2.00000
     48     -26.4626      2.00000
     49     -26.4482      2.00000
     50     -26.4337      2.00000
     51     -26.4264      2.00000
     52     -26.4249      2.00000
     53     -26.4235      2.00000
     54     -26.4216      2.00000
     55     -26.3974      2.00000
     56     -26.3897      2.00000
     57     -26.3896      2.00000
     58     -26.3828      2.00000
     59     -26.3806      2.00000
     60     -26.3647      2.00000
     61     -26.3606      2.00000
     62     -26.3588      2.00000
     63     -26.3452      2.00000
     64     -26.3273      2.00000
     65     -26.3235      2.00000
     66     -26.3196      2.00000
     67     -26.3086      2.00000
     68     -26.2649      2.00000
     69     -26.2453      2.00000
     70     -26.2302      2.00000
     71     -26.2253      2.00000
     72     -26.2139      2.00000
     73     -23.2551      2.00000
     74     -23.2470      2.00000
     75     -23.2127      2.00000
     76     -23.2003      2.00000
     77     -23.1745      2.00000
     78     -23.1460      2.00000
     79     -23.1357      2.00000
     80     -23.1181      2.00000
     81     -23.1096      2.00000
     82     -23.1023      2.00000
     83     -23.1015      2.00000
     84     -23.0702      2.00000
     85     -23.0427      2.00000
     86     -23.0415      2.00000
     87     -23.0315      2.00000
     88     -23.0235      2.00000
     89     -23.0073      2.00000
     90     -22.9553      2.00000
     91     -22.9471      2.00000
     92     -22.9401      2.00000
     93     -22.9330      2.00000
     94     -22.9207      2.00000
     95     -22.8898      2.00000
     96     -22.8817      2.00000
     97     -22.8327      2.00000
     98     -22.7911      2.00000
     99     -22.7873      2.00000
    100     -22.7160      2.00000
    101     -22.7012      2.00000
    102     -22.6845      2.00000
    103     -22.6830      2.00000
    104     -22.6753      2.00000
    105     -22.6669      2.00000
    106     -22.6423      2.00000
    107     -22.6280      2.00000
    108     -22.6099      2.00000
    109     -22.6081      2.00000
    110     -22.6017      2.00000
    111     -22.5892      2.00000
    112     -22.5789      2.00000
    113     -22.5182      2.00000
    114     -22.5103      2.00000
    115     -22.4931      2.00000
    116     -22.4622      2.00000
    117     -22.4411      2.00000
    118     -22.4393      2.00000
    119     -22.4323      2.00000
    120     -22.4104      2.00000
    121     -20.4608      2.00000
    122     -20.3916      2.00000
    123     -20.3785      2.00000
    124     -20.3767      2.00000
    125     -20.3521      2.00000
    126     -20.3185      2.00000
    127     -20.3001      2.00000
    128     -20.2817      2.00000
    129     -20.2811      2.00000
    130     -20.2794      2.00000
    131     -20.2769      2.00000
    132     -20.2707      2.00000
    133     -20.2546      2.00000
    134     -20.2306      2.00000
    135     -20.2197      2.00000
    136     -20.2185      2.00000
    137     -20.2166      2.00000
    138     -20.1824      2.00000
    139     -20.1776      2.00000
    140     -20.1694      2.00000
    141     -20.1349      2.00000
    142     -20.1230      2.00000
    143     -20.0858      2.00000
    144     -20.0390      2.00000
    145     -18.7107      2.00000
    146     -18.5668      2.00000
    147     -18.5646      2.00000
    148     -18.5354      2.00000
    149     -18.5309      2.00000
    150     -18.5043      2.00000
    151     -18.4868      2.00000
    152     -18.4760      2.00000
    153     -18.4595      2.00000
    154     -18.4523      2.00000
    155     -18.3905      2.00000
    156     -18.3806      2.00000
    157     -18.3630      2.00000
    158     -18.2684      2.00000
    159     -18.2511      2.00000
    160     -18.2466      2.00000
    161     -18.2320      2.00000
    162     -18.2183      2.00000
    163     -18.1912      2.00000
    164     -18.1825      2.00000
    165     -18.1768      2.00000
    166     -18.1724      2.00000
    167     -18.1051      2.00000
    168     -18.0853      2.00000
    169     -17.9390      2.00000
    170     -17.9354      2.00000
    171     -17.9297      2.00000
    172     -17.8989      2.00000
    173     -17.8613      2.00000
    174     -17.8450      2.00000
    175     -17.8227      2.00000
    176     -17.8189      2.00000
    177     -17.7864      2.00000
    178     -17.7744      2.00000
    179     -17.7583      2.00000
    180     -17.7255      2.00000
    181     -17.6138      2.00000
    182     -17.5707      2.00000
    183     -17.5578      2.00000
    184     -17.5306      2.00000
    185     -17.5219      2.00000
    186     -17.5128      2.00000
    187     -17.5021      2.00000
    188     -17.4882      2.00000
    189     -17.4869      2.00000
    190     -17.4652      2.00000
    191     -17.4534      2.00000
    192     -17.4357      2.00000
    193     -16.7837      2.00000
    194     -16.7209      2.00000
    195     -16.7102      2.00000
    196     -16.6993      2.00000
    197     -16.6775      2.00000
    198     -16.6439      2.00000
    199     -16.6118      2.00000
    200     -16.5744      2.00000
    201     -16.5514      2.00000
    202     -16.5295      2.00000
    203     -16.5119      2.00000
    204     -16.4925      2.00000
    205     -16.1679      2.00000
    206     -16.1486      2.00000
    207     -16.1453      2.00000
    208     -16.1122      2.00000
    209     -16.0773      2.00000
    210     -16.0566      2.00000
    211     -16.0202      2.00000
    212     -15.9742      2.00000
    213     -15.9600      2.00000
    214     -15.9163      2.00000
    215     -15.8946      2.00000
    216     -15.7971      2.00000
    217     -15.7740      2.00000
    218     -15.6731      2.00000
    219     -15.6468      2.00000
    220     -15.6291      2.00000
    221     -15.6171      2.00000
    222     -15.6100      2.00000
    223     -15.6091      2.00000
    224     -15.5806      2.00000
    225     -15.5686      2.00000
    226     -15.5558      2.00000
    227     -15.5161      2.00000
    228     -15.5054      2.00000
    229     -15.4637      2.00000
    230     -15.4561      2.00000
    231     -15.4533      2.00000
    232     -15.4358      2.00000
    233     -15.4340      2.00000
    234     -15.4291      2.00000
    235     -15.4191      2.00000
    236     -15.4156      2.00000
    237     -15.4033      2.00000
    238     -15.3951      2.00000
    239     -15.3884      2.00000
    240     -15.3832      2.00000
    241     -15.3754      2.00000
    242     -15.3551      2.00000
    243     -15.3389      2.00000
    244     -15.3362      2.00000
    245     -15.3253      2.00000
    246     -15.3217      2.00000
    247     -15.3143      2.00000
    248     -15.2925      2.00000
    249     -15.2888      2.00000
    250     -15.2677      2.00000
    251     -15.2597      2.00000
    252     -15.2544      2.00000
    253     -15.2513      2.00000
    254     -15.2419      2.00000
    255     -15.2316      2.00000
    256     -15.2291      2.00000
    257     -15.2179      2.00000
    258     -15.2058      2.00000
    259     -15.1995      2.00000
    260     -15.1939      2.00000
    261     -15.1861      2.00000
    262     -15.1764      2.00000
    263     -15.1703      2.00000
    264     -15.1374      2.00000
    265     -15.1325      2.00000
    266     -15.1249      2.00000
    267     -15.1167      2.00000
    268     -15.1004      2.00000
    269     -15.0730      2.00000
    270     -15.0644      2.00000
    271     -15.0051      2.00000
    272     -15.0002      2.00000
    273     -14.9720      2.00000
    274     -14.9495      2.00000
    275     -14.9324      2.00000
    276     -14.8886      2.00000
    277     -14.6090      2.00000
    278     -14.5860      2.00000
    279     -14.5649      2.00000
    280     -14.5129      2.00000
    281     -14.4819      2.00000
    282     -14.4325      2.00000
    283     -14.4002      2.00000
    284     -14.3577      2.00000
    285     -14.3433      2.00000
    286     -14.3008      2.00000
    287     -14.2843      2.00000
    288     -14.2666      2.00000
    289     -13.6008      2.00000
    290     -13.5261      2.00000
    291     -13.5200      2.00000
    292     -13.4861      2.00000
    293     -13.4622      2.00000
    294     -13.4493      2.00000
    295     -13.4405      2.00000
    296     -13.4297      2.00000
    297     -13.4185      2.00000
    298     -13.4000      2.00000
    299     -13.3920      2.00000
    300     -13.3866      2.00000
    301     -13.3654      2.00000
    302     -13.3546      2.00000
    303     -13.3494      2.00000
    304     -13.3350      2.00000
    305     -13.3271      2.00000
    306     -13.3117      2.00000
    307     -13.2987      2.00000
    308     -13.2888      2.00000
    309     -13.2693      2.00000
    310     -13.2491      2.00000
    311     -13.2439      2.00000
    312     -13.2398      2.00000
    313     -13.2318      2.00000
    314     -13.2006      2.00000
    315     -13.1786      2.00000
    316     -13.1747      2.00000
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   1451       5.0316      0.00000
   1452       5.0511      0.00000
   1453       5.0582      0.00000
   1454       5.0846      0.00000
   1455       5.1074      0.00000
   1456       5.1113      0.00000
   1457       5.1224      0.00000
   1458       5.1286      0.00000
   1459       5.1362      0.00000
   1460       5.1411      0.00000
   1461       5.1753      0.00000
   1462       5.1989      0.00000
   1463       5.2069      0.00000
   1464       5.2380      0.00000
   1465       5.2396      0.00000
   1466       5.2434      0.00000
   1467       5.2571      0.00000
   1468       5.2693      0.00000
   1469       5.2720      0.00000
   1470       5.2878      0.00000
   1471       5.2978      0.00000
   1472       5.3054      0.00000
   1473       5.3291      0.00000
   1474       5.3380      0.00000
   1475       5.3432      0.00000
   1476       5.3510      0.00000
   1477       5.3573      0.00000
   1478       5.3722      0.00000
   1479       5.3793      0.00000
   1480       5.3811      0.00000
   1481       5.3925      0.00000
   1482       5.4041      0.00000
   1483       5.4135      0.00000
   1484       5.4298      0.00000
   1485       5.4394      0.00000
   1486       5.4432      0.00000
   1487       5.4573      0.00000
   1488       5.4687      0.00000
   1489       5.4739      0.00000
   1490       5.4805      0.00000
   1491       5.4935      0.00000
   1492       5.4967      0.00000
   1493       5.5096      0.00000
   1494       5.5111      0.00000
   1495       5.5310      0.00000
   1496       5.5381      0.00000
   1497       5.5447      0.00000
   1498       5.5537      0.00000
   1499       5.5610      0.00000
   1500       5.5689      0.00000
   1501       5.5752      0.00000
   1502       5.5870      0.00000
   1503       5.6043      0.00000
   1504       5.6091      0.00000
   1505       5.6224      0.00000
   1506       5.6308      0.00000
   1507       5.6405      0.00000
   1508       5.6447      0.00000
   1509       5.6573      0.00000
   1510       5.6637      0.00000
   1511       5.6663      0.00000
   1512       5.6746      0.00000
   1513       5.6844      0.00000
   1514       5.6989      0.00000
   1515       5.7119      0.00000
   1516       5.7223      0.00000
   1517       5.7349      0.00000
   1518       5.7440      0.00000
   1519       5.7537      0.00000
   1520       5.7600      0.00000
   1521       5.7787      0.00000
   1522       5.7872      0.00000
   1523       5.7965      0.00000
   1524       5.8007      0.00000
   1525       5.8111      0.00000
   1526       5.8274      0.00000
   1527       5.8299      0.00000
   1528       5.8385      0.00000
   1529       5.8492      0.00000
   1530       5.8586      0.00000
   1531       5.8784      0.00000
   1532       5.8923      0.00000
   1533       5.8974      0.00000
   1534       5.9111      0.00000
   1535       5.9210      0.00000
   1536       5.9241      0.00000
   1537       5.9279      0.00000
   1538       5.9325      0.00000
   1539       5.9522      0.00000
   1540       5.9624      0.00000
   1541       5.9729      0.00000
   1542       5.9766      0.00000
   1543       5.9906      0.00000
   1544       5.9934      0.00000
   1545       6.0095      0.00000
   1546       6.0143      0.00000
   1547       6.0284      0.00000
   1548       6.0341      0.00000
   1549       6.0390      0.00000
   1550       6.0465      0.00000
   1551       6.0552      0.00000
   1552       6.0632      0.00000
   1553       6.0754      0.00000
   1554       6.0832      0.00000
   1555       6.0962      0.00000
   1556       6.1028      0.00000
   1557       6.1141      0.00000
   1558       6.1237      0.00000
   1559       6.1334      0.00000
   1560       6.1412      0.00000
   1561       6.1482      0.00000
   1562       6.1571      0.00000
   1563       6.1737      0.00000
   1564       6.1809      0.00000
   1565       6.1916      0.00000
   1566       6.1969      0.00000
   1567       6.2046      0.00000
   1568       6.2080      0.00000
   1569       6.2153      0.00000
   1570       6.2309      0.00000
   1571       6.2349      0.00000
   1572       6.2431      0.00000
   1573       6.2505      0.00000
   1574       6.2547      0.00000
   1575       6.2648      0.00000
   1576       6.2736      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.089  13.414  -0.001   0.001  -0.000   0.002  -0.005   0.000
 13.414  17.833  -0.001   0.002  -0.000   0.002  -0.006   0.000
 -0.001  -0.001  -4.234   0.003   0.001   8.281  -0.005  -0.001
  0.001   0.002   0.003  -4.234   0.001  -0.005   8.280  -0.001
 -0.000  -0.000   0.001   0.001  -4.227  -0.001  -0.001   8.271
  0.002   0.002   8.281  -0.005  -0.001 -18.326   0.007   0.002
 -0.005  -0.006  -0.005   8.280  -0.001   0.007 -18.322   0.000
  0.000   0.000  -0.001  -0.001   8.271   0.002   0.000 -18.316
 total augmentation occupancy for first ion, spin component:           1
  8.477  -3.820   0.185   0.154  -0.041   0.023   0.029  -0.007
 -3.820   1.794  -0.092  -0.104   0.023  -0.010  -0.017   0.004
  0.185  -0.092   1.773  -0.063  -0.040   0.168  -0.012  -0.008
  0.154  -0.104  -0.063   1.910  -0.089  -0.012   0.179  -0.012
 -0.041   0.023  -0.040  -0.089   1.228  -0.008  -0.012   0.081
  0.023  -0.010   0.168  -0.012  -0.008   0.018  -0.002  -0.001
  0.029  -0.017  -0.012   0.179  -0.012  -0.002   0.018  -0.002
 -0.007   0.004  -0.008  -0.012   0.081  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -50840.05954 93249.72931 23890.74726-10874.70976  6618.36600 20156.78223
  Hartree  4816.48920120120.25748 61878.37672-11308.46438  4547.41643 14449.59833
  E(xc)  -10735.08708-10587.94801-10630.38418     2.91906     8.25305    32.78718
  Local   12587.01563************************ 22181.04347-11179.90402-34016.02224
  n-local -5845.59127 -5979.19944 -6033.45243     3.92278    16.69377   -63.32761
  augment  1494.46457  1535.06950  1486.79080     4.71677    12.34615    -3.55046
  Kinetic 45510.53429 43232.97646 43665.71951   -30.17114   -76.50056  -564.99891
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -104.3754850   -404.3222147   -151.2094851    -20.7431964    -53.3291763     -8.7314836
  in kB      -17.4054476    -67.4239657    -25.2153920     -3.4590940     -8.8930670     -1.4560448
  external PRESSURE =     -36.6816017 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.233E+03 -.109E+03 0.250E+03   0.233E+03 0.110E+03 -.252E+03   -.698E-01 -.862E+00 0.152E+01   -.142E-03 -.189E-03 0.160E-03
   -.189E+03 -.134E+03 0.601E+02   0.189E+03 0.136E+03 -.596E+02   0.457E+00 -.121E+01 -.277E+00   -.669E-04 -.110E-03 0.213E-03
   -.164E+03 -.125E+03 0.336E+01   0.164E+03 0.126E+03 -.163E+01   0.189E+00 -.115E+01 -.160E+01   -.327E-04 -.118E-04 0.225E-03
   -.219E+03 -.966E+02 0.340E+03   0.219E+03 0.967E+02 -.343E+03   -.292E+00 -.798E-01 0.256E+01   -.165E-03 -.109E-03 0.660E-04
   -.165E+03 -.148E+03 0.301E+03   0.165E+03 0.148E+03 -.302E+03   0.211E+00 -.838E+00 0.968E+00   -.126E-03 0.117E-05 0.142E-03
   -.148E+03 -.111E+03 0.167E+03   0.148E+03 0.111E+03 -.167E+03   0.810E-01 -.137E+00 -.939E-02   -.684E-04 0.304E-04 0.221E-03
   -.236E+03 -.131E+03 0.181E+03   0.235E+03 0.136E+03 -.182E+03   0.687E+00 -.464E+01 0.863E+00   -.177E-03 -.172E-03 0.979E-04
   -.183E+03 -.113E+03 0.344E+02   0.184E+03 0.117E+03 -.365E+02   -.480E+00 -.398E+01 0.200E+01   -.277E-04 -.105E-03 0.103E-03
   -.107E+03 0.400E+01 0.195E+03   0.106E+03 -.392E+01 -.195E+03   0.180E+00 0.133E+00 -.126E-01   -.750E-04 0.755E-04 0.211E-03
   -.833E+02 0.867E+02 0.617E+02   0.828E+02 -.882E+02 -.604E+02   0.444E+00 0.142E+01 -.118E+01   -.305E-04 0.440E-04 0.236E-03
   -.932E+02 0.105E+03 0.136E+03   0.930E+02 -.106E+03 -.136E+03   0.166E+00 0.108E+01 0.697E-01   -.327E-04 0.663E-04 0.256E-03
   -.107E+03 -.205E+01 0.331E+03   0.107E+03 0.177E+01 -.332E+03   -.127E+00 0.415E+00 0.108E+01   -.153E-03 0.824E-04 0.164E-03
   -.112E+03 -.429E+02 0.362E+03   0.112E+03 0.438E+02 -.364E+03   -.117E+00 -.963E+00 0.230E+01   -.201E-03 0.632E-05 0.167E-03
   -.116E+03 0.201E+02 0.306E+03   0.116E+03 -.201E+02 -.307E+03   -.973E-01 0.206E+00 0.161E+01   -.114E-03 0.577E-04 0.259E-03
   -.108E+03 0.109E+03 0.269E+03   0.107E+03 -.113E+03 -.271E+03   0.600E+00 0.415E+01 0.225E+01   -.847E-04 0.884E-04 0.270E-03
   -.901E+02 0.118E+03 0.104E+03   0.900E+02 -.122E+03 -.107E+03   -.902E-02 0.297E+01 0.345E+01   0.284E-04 0.781E-04 0.908E-04
   -.731E+02 0.111E+03 0.549E+02   0.735E+02 -.106E+03 -.506E+02   -.317E+00 -.468E+01 -.428E+01   0.181E-04 -.305E-05 0.759E-04
   -.723E+01 0.206E+03 -.150E+03   0.669E+01 -.208E+03 0.152E+03   0.572E+00 0.182E+01 -.211E+01   0.381E-04 -.556E-04 0.119E-04
   0.290E+02 0.151E+03 -.199E+03   -.291E+02 -.151E+03 0.201E+03   0.201E+00 0.181E+00 -.173E+01   0.434E-04 -.558E-04 -.393E-04
   -.693E+02 0.114E+03 0.181E+03   0.703E+02 -.113E+03 -.184E+03   -.113E+01 -.101E+01 0.312E+01   -.262E-04 -.329E-04 0.148E-03
   -.291E-01 0.700E+02 -.102E+01   -.120E+01 -.715E+02 0.245E+01   0.124E+01 0.142E+01 -.119E+01   -.231E-04 -.544E-04 0.399E-04
   0.448E+01 0.129E+02 -.130E+03   -.443E+01 -.131E+02 0.130E+03   -.563E-03 0.161E+00 -.984E+00   0.332E-04 -.727E-04 -.874E-04
   -.355E+02 -.338E+02 -.176E+03   0.359E+02 0.341E+02 0.176E+03   -.409E+00 -.346E+00 0.726E+00   0.392E-04 -.504E-04 -.134E-03
   -.437E+02 -.713E+02 -.233E+03   0.449E+02 0.730E+02 0.231E+03   -.126E+01 -.161E+01 0.129E+01   0.505E-04 -.287E-04 -.789E-04
   -.247E+02 -.157E+03 -.341E+03   0.242E+02 0.158E+03 0.343E+03   0.552E+00 -.471E+00 -.193E+01   0.763E-04 0.156E-03 0.121E-04
   -.107E+03 -.164E+03 -.160E+03   0.108E+03 0.164E+03 0.158E+03   -.985E+00 -.336E+00 0.178E+01   0.417E-04 0.493E-04 -.111E-03
   -.931E+02 -.282E+03 -.194E+03   0.935E+02 0.282E+03 0.193E+03   -.333E+00 -.867E+00 0.280E+00   0.289E-04 0.118E-03 -.304E-04
   -.427E+02 -.264E+03 -.293E+03   0.425E+02 0.265E+03 0.294E+03   0.141E+00 -.121E+01 -.530E+00   0.442E-04 0.196E-03 0.935E-04
   -.486E+02 -.211E+02 -.221E+03   0.545E+02 0.290E+02 0.216E+03   -.598E+01 -.774E+01 0.501E+01   0.147E-03 -.116E-03 -.919E-04
   -.925E+00 0.521E+02 0.247E+02   -.436E+01 -.607E+02 -.198E+02   0.504E+01 0.852E+01 -.471E+01   -.105E-03 0.500E-04 -.979E-04
   -.209E+03 -.260E+02 -.435E+02   0.210E+03 0.262E+02 0.451E+02   -.378E+00 -.292E+00 -.180E+01   -.140E-04 -.770E-04 0.924E-05
   -.141E+03 -.147E+03 0.138E+03   0.141E+03 0.148E+03 -.138E+03   0.314E-01 -.130E+01 -.218E+00   -.972E-05 -.450E-04 0.112E-03
   -.151E+03 -.156E+03 0.186E+03   0.151E+03 0.158E+03 -.188E+03   0.165E+00 -.162E+01 0.102E+01   -.384E-05 0.469E-04 0.113E-03
   -.305E+03 0.860E+01 -.167E+03   0.305E+03 -.103E+02 0.170E+03   0.185E+00 0.171E+01 -.279E+01   -.150E-04 -.147E-04 -.955E-04
   -.296E+03 -.663E+02 -.186E+03   0.296E+03 0.664E+02 0.187E+03   -.655E-01 -.136E+00 -.111E+01   0.145E-04 0.563E-04 -.860E-04
   -.216E+03 -.720E+02 0.268E+01   0.216E+03 0.719E+02 -.267E+01   0.337E+00 0.316E-01 0.367E-01   0.260E-04 0.875E-04 0.246E-04
   -.120E+03 -.526E+02 -.984E+01   0.121E+03 0.560E+02 0.128E+02   -.100E+01 -.417E+01 -.269E+01   -.216E-04 -.140E-03 0.795E-04
   -.749E+02 -.143E+03 0.114E+03   0.752E+02 0.146E+03 -.110E+03   -.301E+00 -.310E+01 -.357E+01   0.578E-05 -.109E-03 0.224E-03
   -.191E+03 0.477E+02 -.304E+01   0.191E+03 -.480E+02 0.297E+01   0.128E+00 0.262E+00 0.122E+00   0.370E-04 0.103E-03 0.220E-04
   -.108E+03 0.549E+02 0.203E+03   0.108E+03 -.561E+02 -.205E+03   0.356E+00 0.111E+01 0.169E+01   -.535E-05 0.718E-04 0.449E-04
   -.804E+02 0.779E+02 0.112E+03   0.804E+02 -.792E+02 -.113E+03   -.992E-01 0.146E+01 0.332E+00   0.159E-04 0.349E-04 0.417E-04
   -.226E+03 0.893E+02 -.224E+03   0.226E+03 -.902E+02 0.225E+03   -.174E+00 0.983E+00 -.719E+00   0.832E-04 0.127E-03 0.104E-04
   -.186E+03 0.431E+02 -.300E+03   0.185E+03 -.433E+02 0.302E+03   0.272E+00 0.266E+00 -.230E+01   0.108E-03 0.532E-04 0.595E-04
   -.118E+03 0.577E+02 -.157E+03   0.119E+03 -.585E+02 0.159E+03   -.348E+00 0.105E+01 -.130E+01   0.683E-04 0.459E-04 0.331E-04
   -.644E+02 0.104E+03 -.936E+02   0.644E+02 -.109E+03 0.941E+02   0.859E-01 0.482E+01 -.491E+00   0.507E-04 0.406E-04 0.589E-04
   -.282E+02 0.856E+02 0.132E+03   0.278E+02 -.901E+02 -.130E+03   0.377E+00 0.435E+01 -.202E+01   -.212E-04 0.604E-05 0.155E-03
   0.213E+02 0.518E+02 0.994E+02   -.198E+02 -.461E+02 -.101E+03   -.160E+01 -.563E+01 0.199E+01   -.157E-04 0.855E-05 0.428E-04
   -.140E+02 0.134E+03 0.272E+03   0.150E+02 -.135E+03 -.274E+03   -.981E+00 0.116E+01 0.248E+01   -.793E-04 -.374E-05 0.148E-03
   -.402E+02 0.123E+03 0.234E+03   0.411E+02 -.123E+03 -.236E+03   -.856E+00 -.419E+00 0.197E+01   -.102E-03 0.171E-04 0.202E-03
   0.451E+02 0.742E+02 -.458E+02   -.462E+02 -.743E+02 0.488E+02   0.102E+01 0.512E-01 -.305E+01   0.125E-04 -.196E-04 -.513E-04
   0.676E+01 0.278E+02 0.341E+02   -.644E+01 -.288E+02 -.362E+02   -.448E+00 0.891E+00 0.219E+01   0.271E-05 -.980E-05 -.311E-04
   -.193E+02 0.157E+02 0.909E+02   0.198E+02 -.155E+02 -.918E+02   -.548E+00 -.323E+00 0.932E+00   -.449E-04 0.193E-04 0.101E-03
   -.771E+02 0.227E+01 0.422E+02   0.770E+02 -.231E+01 -.416E+02   0.284E+00 0.103E+00 -.601E+00   -.320E-04 0.413E-04 0.113E-03
   -.155E+03 -.126E+02 0.923E+02   0.154E+03 0.133E+02 -.908E+02   0.873E+00 -.761E+00 -.171E+01   -.123E-03 0.883E-04 0.196E-03
   -.244E+03 -.713E+02 0.163E+03   0.246E+03 0.713E+02 -.166E+03   -.137E+01 0.552E-01 0.314E+01   -.146E-03 0.207E-04 0.168E-03
   -.849E+02 -.109E+03 -.115E+03   0.845E+02 0.108E+03 0.117E+03   0.266E+00 0.539E+00 -.181E+01   0.153E-04 -.177E-04 0.359E-04
   -.114E+03 -.122E+03 -.161E+03   0.113E+03 0.124E+03 0.164E+03   0.687E+00 -.108E+01 -.285E+01   0.118E-04 -.522E-04 0.448E-04
   -.177E+03 -.528E+02 0.262E+02   0.176E+03 0.467E+02 -.242E+02   0.133E+01 0.617E+01 -.198E+01   -.575E-04 -.757E-04 0.118E-03
   -.194E+03 0.157E+02 0.140E+03   0.191E+03 -.944E+01 -.131E+03   0.304E+01 -.601E+01 -.831E+01   -.268E-03 0.171E-03 0.203E-03
   -.460E+02 0.213E+00 -.425E+02   0.474E+02 -.679E+01 0.336E+02   -.150E+01 0.643E+01 0.883E+01   0.789E-04 -.616E-04 -.530E-04
   -.355E+03 -.755E+02 0.853E+02   0.355E+03 0.760E+02 -.867E+02   -.228E-01 -.891E+00 0.133E+01   0.188E-03 0.856E-04 0.110E-04
   -.355E+03 -.103E+03 -.868E+02   0.355E+03 0.105E+03 0.875E+02   0.318E+00 -.128E+01 -.426E+00   0.136E-03 0.615E-04 0.199E-04
   -.331E+03 -.950E+02 -.135E+03   0.331E+03 0.963E+02 0.137E+03   -.113E+00 -.102E+01 -.156E+01   0.202E-03 0.132E-03 -.263E-04
   -.300E+03 -.662E+02 0.172E+03   0.300E+03 0.665E+02 -.174E+03   -.107E+00 -.141E+00 0.228E+01   0.274E-03 0.206E-03 -.321E-04
   -.247E+03 -.112E+03 0.129E+03   0.247E+03 0.113E+03 -.130E+03   0.194E+00 -.955E+00 0.801E+00   0.350E-03 0.126E-03 -.592E-04
   -.273E+03 -.806E+02 -.368E+01   0.273E+03 0.806E+02 0.378E+01   -.367E-01 -.207E+00 -.171E+00   0.324E-03 0.593E-04 -.511E-04
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   0.534E+03 0.416E+03 -.215E+03   -.573E+03 -.451E+03 0.223E+03   0.387E+02 0.351E+02 -.807E+01   0.618E-04 0.834E-04 -.182E-03
   -.628E+02 0.215E+03 0.108E+03   0.102E+03 -.239E+03 -.131E+03   -.396E+02 0.241E+02 0.236E+02   0.221E-04 0.662E-04 -.194E-03
   -.545E+03 -.216E+03 0.472E+03   0.592E+03 0.235E+03 -.486E+03   -.475E+02 -.186E+02 0.147E+02   -.573E-04 0.196E-03 0.172E-03
   0.625E+02 -.388E+03 0.521E+02   -.905E+02 0.428E+03 -.317E+02   0.280E+02 -.400E+02 -.204E+02   0.248E-05 0.875E-04 0.155E-03
   -.732E+02 0.737E+02 -.120E+02   0.791E+02 -.104E+03 0.559E+02   -.589E+01 0.307E+02 -.439E+02   -.480E-04 0.833E-04 0.471E-04
   0.770E+03 -.179E+03 0.559E+02   -.808E+03 0.210E+03 -.766E+02   0.378E+02 -.315E+02 0.209E+02   0.328E-03 0.483E-03 -.377E-03
   0.185E+03 0.350E+03 0.196E+03   -.163E+03 -.374E+03 -.237E+03   -.217E+02 0.235E+02 0.411E+02   0.271E-03 0.145E-03 -.342E-03
   0.680E+03 0.338E+03 0.137E+03   -.709E+03 -.377E+03 -.112E+03   0.287E+02 0.386E+02 -.247E+02   0.612E-03 0.157E-03 0.158E-03
   0.682E+03 -.127E+03 -.426E+03   -.684E+03 0.138E+03 0.478E+03   0.210E+01 -.103E+02 -.522E+02   0.468E-03 0.411E-03 -.439E-03
   0.508E+03 -.419E+03 -.797E+02   -.502E+03 0.464E+03 0.548E+02   -.623E+01 -.448E+02 0.247E+02   0.742E-05 0.144E-03 0.136E-03
   0.940E+03 0.142E+03 -.889E+02   -.991E+03 -.155E+03 0.739E+02   0.500E+02 0.127E+02 0.152E+02   0.177E-03 0.252E-03 -.446E-03
   -.428E+03 0.384E+02 -.383E+03   0.458E+03 -.367E+02 0.425E+03   -.309E+02 -.180E+01 -.410E+02   0.167E-05 0.179E-03 -.658E-04
   0.202E+01 0.513E+03 -.876E+02   -.962E+01 -.567E+03 0.863E+02   0.758E+01 0.538E+02 0.159E+01   -.186E-05 -.780E-04 -.271E-03
   -.243E+03 -.952E+02 0.176E+03   0.270E+03 0.106E+03 -.220E+03   -.277E+02 -.110E+02 0.438E+02   -.777E-04 -.857E-04 0.525E-04
   -.300E+03 -.312E+03 0.891E+02   0.315E+03 0.341E+03 -.129E+03   -.152E+02 -.287E+02 0.399E+02   -.115E-03 -.172E-03 0.258E-04
   0.754E+02 -.472E+03 -.289E+03   -.864E+02 0.506E+03 0.330E+03   0.108E+02 -.337E+02 -.407E+02   -.172E-03 -.749E-04 0.289E-03
   -.403E+03 -.539E+02 -.352E+02   0.446E+03 0.303E+02 0.533E+02   -.430E+02 0.237E+02 -.183E+02   0.157E-04 -.189E-03 0.173E-03
   0.860E+03 -.582E+02 -.176E+03   -.905E+03 0.809E+02 0.157E+03   0.445E+02 -.227E+02 0.189E+02   -.629E-03 0.573E-04 0.117E-03
   0.454E+03 0.399E+03 0.335E+02   -.440E+03 -.428E+03 -.753E+02   -.139E+02 0.288E+02 0.417E+02   -.160E-03 0.213E-03 -.105E-04
   0.731E+03 0.292E+03 -.418E+03   -.747E+03 -.325E+03 0.457E+03   0.164E+02 0.329E+02 -.389E+02   -.387E-03 0.162E-03 0.227E-03
   0.387E+03 -.569E+02 -.621E+03   -.419E+03 0.694E+02 0.662E+03   0.317E+02 -.124E+02 -.403E+02   -.187E-04 -.184E-03 -.527E-04
   0.138E+01 -.398E+03 -.906E+02   0.269E+02 0.441E+03 0.777E+02   -.281E+02 -.430E+02 0.129E+02   0.180E-03 -.394E-04 -.312E-03
   0.243E+03 0.160E+03 0.133E+03   -.275E+03 -.166E+03 -.177E+03   0.313E+02 0.570E+01 0.438E+02   -.250E-04 -.139E-03 -.247E-03
   -.229E+03 -.176E+03 -.391E+03   0.268E+03 0.182E+03 0.426E+03   -.386E+02 -.666E+01 -.350E+02   0.115E-04 -.579E-04 -.693E-04
   0.245E+03 0.346E+03 -.226E+03   -.258E+03 -.394E+03 0.241E+03   0.134E+02 0.485E+02 -.142E+02   0.636E-04 -.944E-04 -.131E-03
   -.640E+02 -.678E+02 0.132E+03   0.868E+02 0.625E+02 -.181E+03   -.227E+02 0.537E+01 0.486E+02   -.770E-04 -.442E-04 -.133E-03
   -.244E+03 -.408E+03 0.406E+03   0.270E+03 0.438E+03 -.441E+03   -.266E+02 -.306E+02 0.340E+02   0.608E-04 0.140E-03 -.301E-03
   0.146E+03 -.486E+03 -.161E+03   -.164E+03 0.516E+03 0.199E+03   0.182E+02 -.301E+02 -.376E+02   -.597E-04 0.789E-04 -.128E-03
   -.251E+03 -.110E+03 0.227E+02   0.288E+03 0.815E+02 0.391E+01   -.367E+02 0.286E+02 -.268E+02   0.180E-04 -.716E-04 -.166E-03
   0.420E+02 -.191E+03 0.822E+03   -.653E+02 0.219E+03 -.862E+03   0.235E+02 -.278E+02 0.400E+02   0.315E-03 0.759E-04 0.570E-03
   -.160E+03 0.203E+03 0.592E+03   0.197E+03 -.232E+03 -.617E+03   -.371E+02 0.287E+02 0.244E+02   0.358E-03 0.522E-04 0.423E-03
   0.152E+03 0.392E+03 0.345E+03   -.190E+03 -.423E+03 -.331E+03   0.375E+02 0.311E+02 -.143E+02   0.142E-03 0.378E-04 0.563E-03
 -----------------------------------------------------------------------------------------------
   0.136E+02 -.838E+01 -.250E+02   -.281E-10 0.352E-11 -.557E-11   -.136E+02 0.838E+01 0.250E+02   -.755E-03 0.498E-03 0.163E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.08169      3.17049      1.34339         0.061441     -0.348895     -0.018170
     12.85776      3.58482      2.64825         0.068334     -0.179648      0.243607
     12.84204      4.93686      2.99763        -0.075090      0.083354      0.130955
     13.12283      4.09698      0.30996         0.029026     -0.061780     -0.014563
     12.99221      5.44350      0.64748         0.081054     -0.031407     -0.098219
     12.94638      5.92020      1.98079        -0.035936     -0.053235     -0.113572
     13.24298      1.68773      1.33719         0.000744     -0.219751     -0.103850
     12.67477      2.35280      3.49412        -0.002453      0.172025     -0.060650
     13.05301      7.39542      2.23329         0.054194      0.211357     -0.147166
     13.06688      7.98363      3.51977        -0.083439     -0.107942      0.115825
     13.31626      9.35084      3.65736        -0.043822      0.039643      0.175090
     13.22249      8.28797      1.14121        -0.000153      0.135461     -0.108818
     13.44364      9.66380      1.27961        -0.023966     -0.033954     -0.013817
     13.51380     10.18825      2.57046         0.038915      0.180060      0.006146
     13.73775     11.57993      3.07454         0.071136      0.435836     -0.047083
     13.38895     10.17857      4.90051        -0.125220     -0.304459      0.556902
     13.72950     12.64824      5.43863         0.099024      0.044353     -0.020447
     13.46261     12.52766      6.81172         0.032893     -0.134167     -0.133449
     13.48524     13.64043      7.64988         0.016423      0.020553      0.201204
     14.08755     13.94155      5.00988        -0.098062     -0.316179      0.082180
     14.11260     15.05197      5.87120         0.009515     -0.032939      0.244277
     13.80454     14.96153      7.28255         0.047175     -0.019014     -0.247079
     13.87415     16.07317      8.33313        -0.038125     -0.039530      0.116288
     13.27558     16.06864      9.64853        -0.093809      0.032055      0.222651
     13.35572     17.19563     10.49263         0.021838      0.117214     -0.123873
     14.56677     17.27694      8.05924         0.027941     -0.141330      0.063233
     14.56011     18.41948      8.85521        -0.013342     -0.022744      0.041390
     13.93125     18.39813     10.09219         0.026540     -0.019072     -0.022209
     12.46566     14.95984     10.30427        -0.031055      0.108583      0.055338
     14.69556     16.26864      5.19236        -0.244189      0.004136      0.190635
      9.76999      3.85483      4.76515         0.003887     -0.114694     -0.229653
      9.73081      4.78070      3.72813        -0.022448     -0.107381     -0.173685
      9.81396      6.15571      3.98938        -0.038253      0.073901     -0.109412
      9.91870      4.26054      6.08165         0.093125     -0.004383      0.044532
      9.98260      5.62542      6.34163         0.023055     -0.001775      0.115825
      9.93571      6.61628      5.32838         0.023235     -0.097360      0.048819
      9.53215      2.49635      4.22423        -0.027027     -0.682609      0.294121
      9.59157      4.00218      2.43366         0.059229      0.197682      0.154829
     10.01053      8.06590      5.71818         0.039198     -0.015551      0.053612
     10.08102      9.11297      4.77189         0.055066     -0.002750     -0.233282
     10.20698     10.42929      5.20306        -0.006927      0.147681     -0.132306
      9.99318      8.45395      7.08235        -0.046159      0.085188      0.116413
     10.04693      9.78538      7.51470         0.129187      0.083510     -0.093356
     10.19537     10.77568      6.54705        -0.021340      0.275179      0.118106
     10.27637     12.26627      6.65785         0.028970      0.054774      0.051368
     10.32145     11.68760      4.40595        -0.011877     -0.164056      0.040238
     10.76550     14.13033      4.93216        -0.090321      0.059902      0.036401
     11.26626     14.45392      3.66678        -0.013788     -0.081365     -0.026935
     11.65446     15.75899      3.36613         0.040471      0.106170     -0.088347
     10.63548     15.21569      5.81473        -0.056776     -0.104485     -0.045916
     11.00571     16.54276      5.49363        -0.131175     -0.091453      0.080963
     11.55809     16.89996      4.19692        -0.032962     -0.118141      0.046948
     12.01480     18.28809      3.70265         0.183374      0.068857     -0.018285
     12.58985     18.69283      2.42966         0.155404     -0.058195     -0.144373
     12.90164     20.04002      2.15616         0.093724      0.112326      0.128086
     11.92557     19.38862      4.58306        -0.096807     -0.064227      0.015341
     12.20112     20.72530      4.31600         0.016520      0.216772     -0.109939
     12.65461     21.09886      3.04363         0.031626      0.053034      0.074292
     13.03661     17.81247      1.24690        -0.105329      0.244213      0.190905
     10.79562     17.45932      6.70001        -0.097174     -0.150200     -0.092725
     10.43101      7.08930     14.67713         0.037013     -0.393769     -0.072920
     10.32951      7.49439     15.99928         0.103876      0.015848      0.273137
     10.36954      8.85154     16.35347        -0.027491      0.208555      0.265900
     10.43916      8.03608     13.65997         0.147107      0.123076      0.008624
     10.37478      9.39295     14.01165         0.155725     -0.154851     -0.064426
     10.40610      9.86848     15.35091         0.008713     -0.156398     -0.064460
     10.50942      5.58996     14.63653        -0.092489      0.100320      0.394098
     10.16945      6.24469     16.83680         0.055112      0.008606      0.585878
     10.48583     11.36962     15.60808         0.083561      0.158216     -0.023814
     10.52592     11.98270     16.89504         0.057478     -0.056778      0.124816
     10.66545     13.37975     17.01847         0.012787     -0.029089      0.120155
     10.57118     12.26763     14.50370         0.066705      0.113645      0.018896
     10.71507     13.65797     14.62773         0.001087      0.028426      0.018631
     10.77038     14.21158     15.90875         0.018397      0.196622      0.039881
     10.90706     15.64038     16.37097         0.022217      0.224092     -0.141693
     10.70429     14.26392     18.24315        -0.088758     -0.337169      0.443890
     10.72195     16.80094     18.67876        -0.019948      0.053741      0.151490
     10.10632     16.75588     19.93526         0.065133     -0.284139     -0.147102
      9.93084     17.90895     20.70094        -0.043752      0.020390      0.021260
     11.19584     18.08223     18.31930        -0.018513     -0.269611      0.027116
     11.06266     19.24427     19.12079         0.147910     -0.066641     -0.133517
     10.39140     19.21103     20.42386         0.101775      0.023150     -0.215064
     10.14159     20.34441      0.19466         0.013464      0.059077      0.005647
      9.50548     20.30032      1.50449        -0.091576     -0.010876     -0.083549
      9.29253      0.19180      2.29459         0.027879      0.172361     -0.167857
     10.53722      0.40382     21.14990        -0.101969      0.100589     -0.010523
     10.27734      1.56132      0.63568         0.073763      0.060300     -0.022542
      9.67782      1.48587      1.89729        -0.079775     -0.072584     -0.001184
      8.84280     19.10280      2.15507         0.197368      0.015274      0.143948
     11.78237     20.42167     18.42499        -0.134437     -0.034024      0.346738
      7.25552      7.65345     17.42440        -0.041069     -0.174911     -0.069154
      7.16627      8.58542     16.39656        -0.064114     -0.045746     -0.215043
      7.13026      9.96172     16.66958         0.002263     -0.003867     -0.181273
      7.39414      8.05909     18.74604         0.067647     -0.047566     -0.136587
      7.41582      9.42799     19.00367        -0.032931      0.046236      0.146330
      7.26233     10.42676     18.00604         0.069479     -0.149728      0.003054
      6.97844      6.30156     16.86956        -0.024722     -0.407811      0.150498
      7.02915      7.80486     15.10006        -0.012177      0.097046      0.115406
      7.23639     11.87897     18.41988         0.026382      0.114007      0.039291
      7.21700     12.97083     17.51043         0.019883     -0.058764     -0.231918
      7.21054     14.28574     17.98696         0.017332      0.208434     -0.151643
      7.27438     12.22222     19.79620        -0.035670      0.093700      0.096323
      7.28157     13.53717     20.27234         0.101488      0.034489     -0.059267
      7.22503     14.57156     19.34626        -0.015725      0.350294      0.039855
      7.18857     16.05756     19.53595         0.016019     -0.069346     -0.236859
      7.26304     15.60320     17.25334         0.006207     -0.198183     -0.031340
      7.53456     18.05174     17.94841        -0.032372     -0.005722     -0.061636
      8.27906     18.42658     16.83228         0.064047     -0.116356     -0.031123
      8.62333     19.75624     16.61367         0.217473      0.094907     -0.159000
      7.11366     19.11693     18.76393         0.024708     -0.025633     -0.091536
      7.43751     20.48433     18.52026        -0.164751     -0.140735      0.021913
      8.25589     20.88408     17.37772         0.087500     -0.026072     -0.107648
      8.79247      1.01424     16.91126         0.029751      0.071210      0.076765
      9.45509      1.37512     15.65692         0.223080      0.083407      0.135205
      9.89868      2.69702     15.42090         0.043948      0.358743      0.047710
      8.68446      2.13166     17.77240        -0.048730     -0.147221      0.031307
      9.16386      3.43052     17.55000         0.051365     -0.127578      0.169421
      9.76428      3.76030     16.32953         0.119206      0.088717     -0.007664
      9.93023      0.51699     14.46403        -0.093782     -0.344447      0.061465
      6.75432      0.12794     19.56201        -0.058560     -0.153141     -0.274452
      6.93344     10.86313      6.13801        -0.002718     -0.278958      0.042998
      6.81965     11.30008      7.44947         0.034445     -0.173982      0.194538
      6.87566     12.66475      7.77930         0.001187      0.077295      0.270231
      7.16046     11.78447      5.11687        -0.046712     -0.038893      0.015671
      7.23753     13.14034      5.45742        -0.052106     -0.090148     -0.156715
      7.07683     13.64865      6.77206        -0.025920     -0.197231     -0.015557
      6.92848      9.36520      6.11843         0.004150     -0.306215     -0.258051
      6.78387     10.05977      8.32003         0.006518      0.108956      0.308805
      7.17313     15.14218      7.01334         0.024280      0.135484      0.048099
      7.10188     15.77893      8.28235        -0.020631     -0.160591      0.206310
      7.23922     17.17368      8.39285        -0.038545      0.020434      0.149240
      7.40421     16.01096      5.91495        -0.017266      0.094655     -0.160306
      7.47076     17.40198      6.01356        -0.029709      0.049003     -0.020119
      7.37180     17.98364      7.27477        -0.038973      0.145462      0.049448
      7.53158     19.40693      7.70374         0.049690      0.548567     -0.083517
      7.40578     18.05899      9.60075         0.059218     -0.242268      0.642293
      7.63159     20.59097      9.99632         0.105726      0.051790      0.061229
      7.18365     20.57929     11.31930         0.034521     -0.178759     -0.102254
      7.16346      0.48072     12.08226        -0.037547      0.082952      0.143688
      8.18953      0.56760      9.59611         0.005256     -0.126968     -0.072676
      8.26186      1.71899     10.42788         0.077704     -0.181519     -0.035466
      7.67026      1.75246     11.76140        -0.024238     -0.196232     -0.107119
      7.49765      2.89398     12.79343        -0.039636     -0.141750      0.108653
      6.87070      2.84846     14.11636         0.149034     -0.031818      0.101241
      6.69915      3.99763     14.90959         0.009853      0.263021      0.010244
      7.93582      4.20014     12.50041        -0.015248      0.347430     -0.166216
      7.74344      5.35333     13.28000         0.143718     -0.005325      0.030463
      7.13419      5.28730     14.53633        -0.107284     -0.193268      0.102114
      6.27549      1.65089     14.86103        -0.174437     -0.009868      0.059365
      9.17572      2.77818      9.82505        -0.042244     -0.097220      0.101735
      4.23233     11.50484     10.62367        -0.032187     -0.188321     -0.098682
      3.97540     12.36410      9.56714        -0.064715     -0.040824     -0.230791
      4.01791     13.74858      9.71645         0.044500      0.174618     -0.254956
      4.57400     12.02803     11.86853         0.020351     -0.002185     -0.114346
      4.58895     13.41922     12.02805         0.105344     -0.036904      0.009036
      4.32511     14.32729     10.96790         0.142565     -0.035305     -0.000244
      3.87268     10.11488     10.20827        -0.050976     -0.171560     -0.043469
      3.51447     11.54543      8.40220        -0.155168      0.125846     -0.453765
      4.37019     15.81928     11.18064         0.025567      0.081585     -0.024795
      4.05897     16.77714     10.17261        -0.011993      0.066810     -0.068308
      4.13100     18.14595     10.46444        -0.099256      0.154140     -0.191947
      4.77938     16.33432     12.43474         0.049354      0.135151      0.106423
      4.79839     17.69708     12.74292         0.004130     -0.069656     -0.099500
      4.43364     18.59267     11.74563        -0.092524      0.263485     -0.044222
      4.30076     20.07424     11.78887        -0.022420     -0.303939     -0.383368
      4.00996     19.37391      9.57283         0.168528     -0.218249      1.464025
      4.36144      0.64123     10.05205        -0.136764      0.085842      0.164298
      4.80067      0.99972      8.77754         0.064283     -0.220552      0.003877
      5.28857      2.27792      8.53406         0.067364      0.019743     -0.019851
      4.23658      1.73546     10.93391         0.053124     -0.048075     -0.038827
      4.74321      3.04648     10.67352        -0.103500     -0.100293      0.099431
      5.39547      3.38061      9.41932        -0.014131     -0.063748      0.114034
      6.00604      4.72872      8.90698         0.158534      0.253045     -0.167633
      6.49885      5.03185      7.57069         0.020535     -0.029692     -0.037982
      6.82836      6.34236      7.13786        -0.018145      0.271626      0.118206
      5.99645      5.91301      9.68398        -0.092527     -0.388319      0.197873
      6.25209      7.21421      9.25371         0.078024      0.318772     -0.011200
      6.63638      7.50259      7.93413         0.056289     -0.009244     -0.024754
      6.65243      3.99161      6.46121         0.091757      0.185236      0.071861
      4.29093      3.90875     11.86237        -0.021954      0.056595     -0.200863
      0.91048     14.18173      0.92018        -0.101519     -0.173423     -0.118282
      1.54931     14.61998      2.07173         0.064149     -0.053298      0.168366
      1.58776     16.00325      2.38189         0.026990      0.014211      0.136062
      0.45767     15.07869     21.21451        -0.019664     -0.185145      0.096773
      0.57292     16.43479      0.23034        -0.106180      0.087716     -0.017803
      1.05453     16.96381      1.45836        -0.104113     -0.057726      0.105173
      0.83767     12.69969      0.91911        -0.069878      0.036228     -0.195724
      2.15787     13.35628      2.70423         0.572352      0.086462      0.641958
      0.95098     18.48131      1.65016        -0.045109      0.150603     -0.151765
      1.30783     19.22776      2.81009         0.177122     -0.263837      0.086956
      1.18351     20.62668      2.81443        -0.003176      0.131501      0.087320
      0.45849     19.26745      0.56278        -0.016506     -0.072403     -0.041072
      0.27465     20.65174      0.59183        -0.068817     -0.097767      0.005401
      0.63087      0.06996      1.74910         0.029350      0.176309      0.065296
      0.56667      1.52514      2.07896        -0.143204      0.333751     -0.339727
      1.62882      0.39424      3.81867         0.277857     -0.213060      0.488677
      1.35705      2.94344      4.06382        -0.050895     -0.198666     -0.072532
      1.95534      2.99192      5.32392        -0.041916     -0.087808     -0.084085
      2.07838      4.19956      5.99461         0.084096     -0.021303      0.029483
      0.83774      4.17282      3.60514         0.215544     -0.144557      0.209945
      0.94527      5.38423      4.32725         0.079620     -0.107104      0.136729
      1.66707      5.48526      5.58799        -0.077255     -0.074533     -0.209220
      2.04701      6.70332      6.45815        -0.158033      0.194777     -0.125723
      2.51616      6.67598      7.81628        -0.056483     -0.295993      0.113002
      2.93425      7.80320      8.53103         0.147088      0.213171     -0.005078
      2.02669      8.04320      5.98204         0.008648     -0.052622     -0.176739
      2.49413      9.17878      6.66912        -0.015087      0.171619     -0.051024
      2.99067      9.08566      7.98508         0.080113      0.094087      0.224460
      2.79276      5.43823      8.62999         0.210367      0.283378     -0.100616
      0.15661      6.48709      3.65300         0.059908      0.072183     -0.001734
      4.65814     14.08500      0.68934        -0.032068     -0.204991     -0.060754
      4.06789     14.97851     -0.20026        -0.097553      0.067575     -0.054122
      4.09123     16.37176      0.04573        -0.149324      0.125337     -0.143191
      5.31069     14.56179      1.82048         0.002958      0.001288      0.018353
      5.29469     15.93356      2.07257         0.036743     -0.011101     -0.070837
      4.67443     16.90227      1.24005        -0.005229      0.059576      0.010428
      4.48249     12.68228      0.20275        -0.150874     -0.108363     -0.143527
      3.48126     14.12994     19.93681        -0.228579      0.091397     -0.258005
      4.71836     18.37809      1.69647         0.056859      0.105519      0.120165
      4.16332     19.51657      1.03645        -0.104180      0.036635     -0.153823
      4.33855     20.82606      1.55628        -0.143808     -0.040252     -0.131675
      5.39966     18.68369      2.91058        -0.035658      0.164609      0.035252
      5.59175     19.97392      3.42054        -0.022605     -0.021012      0.055993
      5.06135     21.05496      2.71735        -0.060069      0.102131      0.026474
      5.14080      1.26963      2.97546         0.335011      0.438884      0.392176
      3.86516      0.92710      1.07105        -0.242332     -0.029891     -0.410502
      4.04017      3.39987      1.93511        -0.115323      0.290768     -0.039836
      3.12600      3.99737      1.03252         0.067177     -0.002705      0.046298
      2.88841      5.39106      0.99277        -0.012278     -0.248729     -0.180072
      4.58313      4.34623      2.84396        -0.033347     -0.027928     -0.087695
      4.26543      5.74061      2.82192         0.005608     -0.025195     -0.323124
      3.45423      6.39515      1.81987         0.003132     -0.055373      0.036888
      3.10534      7.93877      1.67903        -0.016532      0.111416      0.111363
      1.98825      8.52284      0.96199        -0.179995      0.018329     -0.028021
      1.62451      9.87839      1.07326        -0.046485     -0.033323      0.109273
      3.79777      8.98010      2.38265        -0.312679     -0.044880     -0.116020
      3.36944     10.31526      2.58872        -0.188760     -0.193968     -0.187699
      2.23746     10.81758      1.91766         0.035811      0.097494      0.049840
      0.98713      7.79862      0.06185        -0.186375     -0.041343      0.290433
      4.91432      6.49166      3.94592        -0.137870     -0.046358      0.053560
     18.05699     17.34909     13.69028        -0.100294     -0.208128      0.043787
     19.06924     17.81620     14.51971         0.072586     -0.210718      0.160732
     19.33036     19.18194     14.66796         0.160413     -0.027881      0.195068
     17.32881     18.24718     12.90743         0.105918     -0.037332      0.018111
     17.63987     19.60959     13.01347        -0.154111     -0.069379     -0.048148
     18.58641     20.13594     13.93127        -0.120276     -0.156571     -0.033446
     17.99273     15.85511     13.79992         0.017871     -0.155820     -0.043694
     19.74483     16.61565     15.13614         0.182676      0.170138      0.130288
     18.70915      0.36200     14.14282        -0.037529      0.159316      0.073721
     19.64643      0.94998     15.03244         0.158200     -0.146157      0.139633
     19.61256      2.32347     15.29012         0.156584      0.027500      0.187808
     17.80096      1.25216     13.51660        -0.107821      0.151135     -0.069941
     17.78940      2.63424     13.74333         0.001461      0.017353     -0.026524
     18.70841      3.15793     14.64797         0.042604      0.263662      0.063954
     18.93823      4.56386     15.09925        -0.122867      0.333999     -0.014275
     20.40880      3.17010     16.25846        -0.089000     -0.270950     -0.094050
     20.62192      5.67518     16.69478        -0.423002      0.336885      0.080908
      0.66718      5.65246     17.17299         0.008551      0.108985     -0.046378
      1.25804      6.81716     17.66121         0.490950     -0.227449      0.119665
     19.94620      6.89446     16.91168         0.295823     -0.041461      0.063113
     20.55004      8.05364     17.48495        -0.410952     -0.256145     -0.188714
      0.69437      8.09348     17.84844        -0.097221     -0.101589     -0.084896
      1.57298      9.24208     18.43250         0.372983     -0.032614      0.270649
      2.94025      9.18733     18.97061        -0.249938     -0.232202     -0.347705
      3.58792     10.32401     19.51043        -0.068720      0.413418      0.074328
      1.05372     10.54804     18.56838        -0.116077     -0.023609     -0.156558
      1.69097     11.66360     19.11893         0.281553      0.094125      0.204952
      2.99195     11.58650     19.64212        -0.180730      0.318980     -0.123557
      4.03435      8.09711     18.89299        -0.197683      0.318621      0.177056
     19.49434      9.11983     17.76726         0.255795      0.141188      0.158039
      1.92436     18.22719     14.13027        -0.075987     -0.186145     -0.161447
      1.20432     19.14729     13.37055        -0.106339     -0.057990     -0.171757
      1.27853     20.52293     13.62133        -0.120339      0.046580     -0.051799
      2.79903     18.66563     15.12419        -0.208977      0.094404     -0.092997
      2.86971     20.04164     15.37970        -0.122822     -0.021157      0.143471
      2.09364     21.01237     14.67980         0.102640     -0.099149      0.109647
      1.61072     16.84745     13.64915        -0.123749     -0.064663      0.080026
      0.44237     18.37018     12.31823        -0.296700      0.354361     -0.234596
      2.22375      1.22112     15.01277        -0.015517      0.013155      0.000821
      1.66722      2.24205     14.20206        -0.141303     -0.051458     -0.007605
      1.91507      3.58264     14.48729        -0.194118      0.177523     -0.349590
      2.96752      1.66648     16.13437         0.187482      0.207324      0.113942
      3.33030      3.01081     16.33908        -0.011941     -0.141066      0.004647
      2.82300      3.96621     15.46514         0.022107      0.396504     -0.115800
      3.07959      5.43481     15.28401         0.486026      0.545112      0.283291
      1.36855      4.82302     13.82251         1.183639     -0.487245      1.105902
      1.59257      7.30801     14.34386        -0.044808      0.061599     -0.016972
      0.29293      7.59569     13.92445        -0.190753     -0.076310      0.004524
     21.01152      8.87163     14.07242        -0.022714     -0.007007      0.031144
      2.32927      8.43006     14.77852        -0.029840     -0.162254     -0.039901
      1.78995      9.73591     14.91155         0.138897     -0.147599     -0.140743
      0.40065     10.03393     14.55011         0.149969     -0.030617     -0.090362
     20.88561     11.37277     14.55832        -0.132356      0.069818      0.130543
     19.50424     11.65740     14.16638        -0.176449      0.049793      0.052755
     18.95905     12.96280     14.24280         0.017534      0.115847      0.186772
      0.28055     12.55228     14.98324        -0.044867     -0.022580     -0.019654
     -0.25899     13.83937     15.07704         0.005632      0.095161     -0.025011
     19.67885     14.09712     14.67091         0.181165     -0.064917      0.084070
     18.43383     10.66492     13.66732         0.161380      0.277113      0.159268
      2.90834     10.69615     15.35161        -0.015113     -0.082090     -0.060008
     16.18279      0.42408      5.23561         0.091222     -0.232943     -0.032298
     16.88009      0.83057      6.36478         0.196896     -0.219555      0.052714
     16.90806      2.17818      6.75643         0.095520      0.045768      0.241023
     15.46532      1.33904      4.48849         0.078453     -0.062248     -0.025676
     15.51278      2.67819      4.86715         0.007032     -0.034457     -0.107394
     16.22914      3.16234      5.98287        -0.069163     -0.087300      0.000452
     16.46019     20.24999      4.95018         0.005373     -0.187203     -0.170417
     17.59443     20.86154      6.88918         0.114038      0.063955      0.236019
     16.23239      4.65339      6.23873        -0.052347      0.140300      0.035464
     16.94885      5.29682      7.27576         0.059757     -0.191115      0.242284
     16.88670      6.68825      7.43098         0.049113      0.073745      0.180771
     15.48510      5.51937      5.39662        -0.043065      0.051996     -0.123054
     15.48964      6.91219      5.49976         0.083199     -0.023595      0.027910
     16.21450      7.49928      6.52946         0.010805      0.176439      0.010482
     16.47819      8.93259      6.86138        -0.080992      0.398809     -0.158156
     17.46335      7.58615      8.48592         0.222432     -0.287402      0.616913
     17.73787     10.11819      8.75775        -0.009482     -0.040897      0.169540
     18.78803     10.01873      9.67167        -0.139748     -0.144557     -0.052114
     19.34780     11.15447     10.23519         0.069567      0.168710      0.138924
     17.26209     11.43001      8.55094        -0.029545     -0.206793     -0.016905
     17.82480     12.57465      9.16742         0.017050      0.005606     -0.001646
     18.95751     12.48976     10.06680        -0.075812     -0.232427     -0.137154
     19.75649     13.57696     10.79288         0.114630     -0.022337      0.076651
     21.05502     13.47213     11.44022        -0.026877     -0.011260     -0.086047
      0.43661     14.59768     11.99017        -0.142767      0.212538     -0.095723
     19.24246     14.88489     10.88639         0.092501      0.206272      0.083152
     19.90586     16.01455     11.38621        -0.109120      0.019196      0.040400
     21.16585     15.89030     11.98332        -0.034341      0.097702     -0.083534
      0.79184     12.31185     11.48990         0.024826     -0.044087      0.144010
     17.03976     13.82801      8.82494         0.271011     -0.154320     -0.043008
     20.35392      1.39049      6.15077        -0.107622     -0.157246     -0.050304
     19.77073      2.43177      5.42540        -0.060545     -0.177852     -0.068398
     19.75739      3.73460      5.88515        -0.198805      0.159975     -0.048648
     20.88449      1.63693      7.41172        -0.064676      0.050389     -0.027032
     20.77484      2.93725      7.92360         0.026904     -0.034589      0.044056
     20.23926      4.02545      7.18358        -0.040701      0.033546      0.171301
     20.22747      0.13472      5.34496         0.228035     -0.179758      0.175551
     19.18725      1.86193      4.17132        -0.316522      0.267949     -0.485180
     20.26968      5.43935      7.68956        -0.051229      0.047568     -0.174085
     19.87518      6.49030      6.83607        -0.088302      0.093292     -0.170346
     20.17724      7.81261      7.14644        -0.018578      0.131075     -0.073585
     -0.49061      5.82468      8.95378         0.061904      0.196399      0.088180
     -0.11886      7.14627      9.24261        -0.138894      0.042767      0.012563
     20.88399      8.13763      8.29391        -0.073005      0.160758     -0.080088
     -0.05826      9.59093      8.23681         0.630486      0.759584      0.687552
     19.90617      9.07343      6.38617        -0.272606     -0.027623     -0.258552
     20.39145     11.55002      6.74772         0.032721      0.074534      0.072254
     19.48726     11.97586      5.76178        -0.034116     -0.113107      0.079512
     19.21700     13.32917      5.58474        -0.092955      0.161246     -0.079609
     21.08275     12.59796      7.40755        -0.104437     -0.057587     -0.135297
     20.84743     13.97574      7.16916         0.098633     -0.112716     -0.086784
     19.83207     14.42798      6.23358         0.118632     -0.337777      0.025806
     19.33976     15.83977      5.95225        -0.093466      0.123181     -0.103956
     18.53703     16.30713      4.84113         0.003439      0.112407     -0.061743
     18.01091     17.61763      4.80590        -0.013882      0.237552      0.151432
     19.56399     16.86527      6.90105         0.025046     -0.084223      0.072074
     18.96739     18.12144      6.92871        -0.039655      0.157435      0.007550
     18.12057     18.52939      5.88480         0.024084     -0.025413      0.054075
     18.02393     15.46125      3.67315         0.134650      0.141479      0.008386
      0.59895     14.87057      7.89510        -0.172869     -0.168776     -0.224148
     12.73426      5.20764      4.04933        -0.051584      0.040284     -0.013302
     13.23263      3.78937     20.52632        -0.011678     -0.001838      0.058732
     12.93328      6.14393     21.07945         0.112457      0.065384     -0.065714
     12.88429      7.38897      4.41602        -0.032204      0.004431     -0.006265
     13.17933      7.90635      0.12049         0.058289      0.047227      0.075421
     13.55203     10.28634      0.38658         0.031813      0.022318      0.151202
     13.30199     13.40575      8.68861         0.033576      0.027199      0.027369
     13.28276     11.55457      7.26070        -0.112044     -0.011717     -0.069609
     14.38522     14.08325      3.97696        -0.103732      0.007148     -0.011575
     12.91439     17.14083     11.48752        -0.025050      0.007821     -0.140777
     15.13649     17.37724      7.15777         0.049731     -0.067101     -0.009059
     15.03303     19.32805      8.46500         0.034755     -0.122926      0.140675
      9.76983      6.86034      3.15878        -0.034915      0.013390     -0.050220
      9.92476      3.53920      6.89613         0.067555      0.058411     -0.118231
     10.00398      5.91241      7.39358         0.193579      0.040599     -0.076603
     10.02513      8.91151      3.70365         0.062998     -0.014189     -0.087064
      9.87787      7.70714      7.86459         0.038596     -0.094775     -0.018567
      9.96043     10.03293      8.57769         0.092033     -0.034002     -0.113408
     12.09243     15.83713      2.38514        -0.004814      0.150382      0.000842
     11.37996     13.69723      2.89225         0.071942      0.040988      0.079328
     10.22221     15.01330      6.79921         0.163899      0.038324     -0.048691
     13.39584     20.29076      1.22249        -0.185526     -0.108677     -0.053024
     11.58534     19.24868      5.59087         0.070263     -0.061131     -0.051674
     12.03850      0.18872      5.11738         0.010831     -0.034117     -0.204611
     10.33421      9.10663     17.41637         0.019899      0.045507     -0.038413
     10.49956      7.74068     12.60862        -0.061235      0.024859      0.085380
     10.31760     10.08994     13.17911         0.053825      0.083079      0.014967
     10.44560     11.38090     17.80486         0.031745      0.033103     -0.035742
     10.54723     11.89038     13.48073        -0.002034     -0.032332      0.085999
     10.78223     14.28362     13.73076         0.010135     -0.067892      0.129393
      9.38937     17.71259      0.34994        -0.028944      0.076555     -0.019540
      9.76813     15.81311     20.37134         0.007826      0.113577     -0.177386
     11.69860     18.18799     17.36241        -0.068434     -0.043480      0.041268
      8.78931      0.09164      3.25392         0.158879     -0.038203     -0.123288
     11.09853      0.58659     20.25302         0.010698      0.031235     -0.206235
     10.56222      2.52010      0.20211         0.030311     -0.021664      0.095315
      6.95137     10.65362     15.84804         0.072210      0.087495     -0.079418
      7.40695      7.33477     19.56319         0.107002      0.037550     -0.078840
      7.45656      9.71412     20.05296         0.167709      0.034131     -0.006452
      7.23920     12.79953     16.43379        -0.044435     -0.000241     -0.061391
      7.26355     11.45401     20.56404         0.084842     -0.105925     -0.026234
      7.34989     13.74004      0.08497        -0.035876     -0.050646     -0.121931
      9.27251     19.86988     15.75781         0.024924      0.160235      0.091661
      8.63735     17.68657     16.12330         0.073572     -0.027895     -0.031437
      6.49732     18.87246     19.62515         0.132352      0.085217     -0.014499
     10.35448      2.95740     14.46431        -0.045744     -0.260689      0.176418
      8.16679      2.01544     18.71838         0.137218     -0.088016      0.036746
      9.07303      4.14583     18.36420        -0.134178      0.094417     -0.136301
      6.78747     12.96290      8.82337         0.037852     -0.031439      0.080532
      7.33774     11.46753      4.08259        -0.123199      0.005429      0.148793
      7.48620     13.81632      4.64298        -0.097745      0.061432     -0.045673
      6.96033     15.19188      9.19033         0.072651     -0.027287      0.065467
      7.61000     15.60104      4.92711        -0.164725     -0.031876     -0.007198
      7.69890     18.00480      5.13029        -0.101761     -0.063270      0.135466
      6.71711      0.32310     13.04200        -0.134383      0.037552      0.003670
      6.83359     19.66988     11.80109         0.032427     -0.067826     -0.142019
      8.61275      0.62953      8.59326        -0.069096      0.030929      0.148921
      6.20471      3.88013     15.87461         0.216485      0.150803     -0.246451
      8.48857      4.38944     11.58865        -0.108458     -0.082682     -0.056865
      8.11593      6.30113     12.89590        -0.010472      0.016777     -0.029811
      3.72769     14.37044      8.87423         0.186409      0.042022     -0.113259
      4.73975     11.38158     12.72781         0.103620     -0.018820     -0.147496
      4.74868     13.78831     13.04224         0.101438      0.031765     -0.076491
      3.76052     16.48055      9.16813         0.024942     -0.103021     -0.082396
      5.09423     15.66324     13.22699         0.034188     -0.149622      0.045668
      5.11243     18.04576     13.73000        -0.023281     -0.064253     -0.099656
      5.59538      2.35918      7.51590         0.133912      0.077171      0.009283
      4.78605      0.28636      7.95324         0.113137      0.002529      0.061319
      3.70557      1.57992     11.87437         0.304264     -0.052985     -0.137729
      7.23392      6.43857      6.13301        -0.217833      0.111442      0.075854
      5.66258      5.87754     10.70980         0.164726     -0.128763     -0.112418
      6.11372      8.01010      9.98662         0.047922     -0.077561     -0.108132
      2.02998     16.32714      3.33013        -0.021290     -0.017825     -0.087467
      0.06326     14.75023     20.24769        -0.055643     -0.051369      0.201853
      0.24453     17.09471     20.68943        -0.031669      0.004219      0.087646
      1.69794     18.73780      3.70452         0.036530     -0.025040     -0.003791
      0.19905     18.79603     20.87704        -0.022837     -0.030759      0.038905
     -0.11785     -0.08235     20.97765         0.008463      0.009626      0.042098
      2.56171      4.04770      6.93199         0.048272      0.095431     -0.059200
      2.31782      2.10073      5.83573         0.004018      0.043705     -0.229756
      0.29249      4.18055      2.67099        -0.059943      0.001803     -0.078220
      3.22920      7.69432      9.57019         0.018633     -0.018556     -0.161965
      1.67035      8.24700      4.97287         0.041564     -0.088272      0.041205
      2.42775     10.14830      6.17486         0.086210     -0.083079     -0.022167
      3.65584     17.04161     20.55902        -0.072837      0.000025      0.034894
      5.82235     13.89097      2.51553        -0.111348     -0.025109     -0.063226
      5.82925     16.24680      2.96099        -0.027766      0.039603      0.146893
      3.59334     19.39288      0.11333         0.027128      0.041487     -0.041045
      5.87481     17.89218      3.48540        -0.107125      0.015647      0.010942
      6.18463     20.10925      4.33205        -0.184869      0.083103     -0.089011
      2.14934      5.66082      0.25826         0.014722      0.055356     -0.232147
      2.53579      3.38304      0.35520         0.113115     -0.014313     -0.098276
      5.25965      3.98650      3.62304        -0.174974      0.121095     -0.113163
      0.78463     10.21513      0.47939         0.000591     -0.050044      0.112999
      4.73191      8.77141      2.87696         0.214758     -0.145907     -0.030062
      3.93826     10.92872      3.28240         0.135839      0.125604     -0.086633
     20.12349     19.49454     15.34607        -0.014269      0.001613      0.128850
     16.56358     17.90349     12.20176         0.093577      0.040610      0.117214
     17.11004     20.27925     12.33783        -0.059241      0.057230      0.052503
     20.41628      0.34069     15.50678        -0.060523     -0.015742      0.168026
     17.05209      0.86860     12.82621        -0.031935     -0.055300      0.004437
     17.06762      3.28452     13.23800         0.084098     -0.099974      0.038221
      2.26977      6.64204     17.98672        -0.147932      0.207226     -0.249528
      1.25068      4.73643     17.14892        -0.012574      0.025289      0.117323
     18.89592      6.94141     16.65050        -0.028962      0.085050     -0.064485
      4.61538     10.20462     19.83894        -0.081062      0.087538      0.089456
      0.05680     10.75778     18.21013        -0.090414     -0.055039     -0.030464
      1.12531     12.58925     19.15244         0.013823      0.106318     -0.041852
      0.70009     21.20136     12.98711         0.024542     -0.028996      0.080412
      3.42918     17.95267     15.66348        -0.115678      0.090527      0.068053
      3.57336     20.35153     16.15730        -0.095334      0.107745     -0.124405
      1.06353      2.00480     13.33163        -0.176412     -0.056404     -0.134694
      3.37139      0.96092     16.86012        -0.070718     -0.113717     -0.063076
      4.00733      3.28096     17.15673        -0.137101     -0.047554     -0.093331
     19.97374      8.90781     13.78718         0.041008      0.098685      0.043002
     20.92714      6.81625     13.48849        -0.050006      0.084363      0.156684
      3.38293      8.28263     15.00122        -0.136291     -0.023105      0.143048
     17.91522     13.12178     13.97610         0.152726     -0.146146     -0.121864
      1.33084     12.51168     15.22705        -0.052286     -0.025073      0.087511
      0.40831     14.62582     15.43378        -0.190717     -0.040168     -0.085331
     17.50029      2.46208      7.62690        -0.019756      0.005952      0.091298
     14.90412      1.01516      3.61448         0.200895      0.037323      0.013589
     14.98344      3.37371      4.22780         0.000876      0.088925     -0.034091
     17.60681      4.72238      7.92583        -0.141771     -0.036071      0.236658
     14.87451      5.11095      4.59556         0.066983     -0.046870     -0.012524
     14.92231      7.51633      4.79323         0.181525     -0.035535      0.038177
     20.17866     10.94059     10.87260        -0.034575      0.015362      0.089692
     19.21564      9.06172      9.96229        -0.215677      0.020989     -0.040081
     16.41748     11.56089      7.87876         0.103482      0.066834      0.020571
      1.41610     14.46815     12.42097         0.043385      0.007037      0.101704
     18.23614     15.07244     10.55150        -0.132701      0.030847     -0.054577
     19.41013     16.97934     11.28355         0.058814     -0.017274      0.106590
     19.36980      4.49552      5.20702        -0.092173      0.038134      0.143622
      0.12482      0.84124      7.97097        -0.135643      0.070981      0.068291
     -0.08362      3.10419      8.91980        -0.015321      0.105334      0.093964
     19.37811      6.28417      5.89558        -0.066994     -0.008027      0.034417
     -0.32536      5.08943      9.73398         0.059035     -0.155564      0.051659
      0.37857      7.37264     10.18614        -0.078649      0.050121      0.063765
     18.40429     13.50138      4.89649         0.061718      0.065059      0.024106
     18.95035     11.26264      5.13749        -0.003405      0.040066      0.182843
      0.60361     12.32848      8.11018        -0.098698      0.007683     -0.015093
     17.39370     17.89897      3.95245         0.113843     -0.057916      0.152403
     20.21615     16.67859      7.73806        -0.089826     -0.107430      0.086123
     19.18237     18.77064      7.78086        -0.088898     -0.058110     -0.195765
     13.86421     19.28719     10.72886         0.080485     -0.148645     -0.031285
     19.26319     21.10291      3.45539         0.016515      0.116512      0.117338
     12.86153      1.21460      2.65026        -0.010389      0.155161     -0.075478
     13.64478     11.52950      4.52494         0.044000     -0.040849     -0.280772
      9.54561      2.61019      2.78726         0.063119     -0.029986     -0.000630
     10.46987     12.77363      5.31688        -0.086994     -0.024115      0.161585
     10.15363      5.11625     15.96458         0.050978      0.101662     -0.340674
     10.80383     15.62992     17.81241         0.057754      0.075979     -0.233180
      7.05348      6.40340     15.44391         0.000618      0.196956     -0.097731
      7.28592     16.65198     18.23164        -0.084038     -0.070034      0.165337
      6.77864      8.89045      7.47046        -0.087815      0.185067     -0.073296
      7.52941     19.42239      9.14684         0.043104     -0.159187     -0.294535
      3.48637     10.17045      8.80410         0.009382      0.237034     -0.073553
      4.11602     20.53067     10.44170         0.021741      0.130409      0.153745
      1.73930     12.20548      1.92150         0.110383     -0.018808     -0.245237
      1.19980      1.69544      3.35241        -0.047255     -0.010368     -0.101399
      3.64072     12.73453     20.30121        -0.056577      0.023839      0.068565
      4.31857      1.95021      1.99285         0.207133     -0.071967      0.205495
     19.13391     15.43821     14.59411        -0.128616      0.106077     -0.070176
     20.02006      4.53446     16.04963        -0.224286     -0.103182     -0.051549
      0.61525     16.97970     12.61193         0.152168      0.055496      0.059923
      2.05084      5.94260     14.40414         0.169578      0.062915      0.150784
     17.41814     19.79655      5.91624         0.065956      0.157787     -0.019044
     17.21999      8.94727      8.08834        -0.102846     -0.020574     -0.091744
     19.50699      0.49903      4.20001         0.014025      0.095775      0.033395
     20.55505     10.14872      7.06975         0.165049      0.020808      0.279614
     12.41777      2.32370      4.68778         0.007322      0.024122      0.112146
     13.68049      0.99979      0.42925        -0.087278      0.087556      0.072569
     13.21534      9.76391      6.04151         0.095922      0.052268     -0.204054
     13.94373     12.58609      2.40873        -0.064015     -0.362968      0.229385
      9.53628      4.43929      1.29649         0.029865      0.016285     -0.085870
      9.33838      1.46098      4.85139         0.229380      0.518695     -0.276907
     10.26163     11.78545      3.19158         0.015852      0.023493     -0.449099
     10.15328     12.94504      7.66509         0.065181     -0.093127     -0.160965
     10.07000      6.17006     18.05635         0.069570      0.201244     -0.132682
     10.87798      4.90016     13.70725        -0.012914     -0.190202     -0.272289
     10.64786     13.89920     19.40994         0.033891      0.030624     -0.160020
     11.07123     16.63957     15.68180        -0.100741     -0.344903      0.226731
      6.89872      8.23753     13.96999         0.089906      0.080622     -0.149469
      6.66806      5.29553     17.49138         0.276444      0.122139      0.046001
      7.30015     15.76967     16.04707        -0.067167      0.031495     -0.320545
      7.07345     16.67220     20.58046         0.019948      0.121190      0.167383
      6.82245     10.03520      9.54143         0.014685      0.061183     -0.023276
      7.08453      8.66023      5.13203        -0.037711      0.158574      0.369060
      7.49200     17.70063     10.76955        -0.070905      0.090472     -0.346144
      7.65469     20.39625      6.99256        -0.141686     -0.324388      0.207569
      3.18174     11.95007      7.29509         0.148954     -0.035768      0.125964
      3.84079      9.12153     10.91728         0.073363      0.065744     -0.043314
      3.91651     19.41042      8.37699        -0.209797      0.052322     -1.413207
      4.31175     20.78186     12.77617        -0.001367      0.035725      0.099768
      2.92411     13.29716      3.65850        -0.407929     -0.026706     -0.401274
      0.10148     12.04440      0.19784        -0.073950      0.014953      0.011928
      2.28169      0.19243      4.83246        -0.107606      0.003511     -0.211763
      0.06064      2.41705      1.40714         0.209568     -0.334686      0.178490
      2.98588     14.49799     18.88398        -0.037177      0.110168      0.174481
      4.97397     11.66765      0.67646         0.035318     -0.000993     -0.015303
      3.20149      1.14698      0.07226        -0.084145      0.061845     -0.117522
      5.82138      1.81552      3.83555        -0.308953     -0.140383     -0.369557
     -0.60108     16.63190     15.95045        -0.033094     -0.007113     -0.041533
     17.14096     15.11422     13.33748         0.115624      0.064960      0.032789
     -0.06743      2.77558     17.10480         0.122370      0.002142      0.077744
     18.33201      5.56495     14.74424         0.173681     -0.127643      0.077218
     21.07409     18.80746     11.35842         0.150084     -0.093300      0.442366
      2.08281     15.79034     14.04347         0.002027      0.207512      0.020812
      0.52087      4.86849     12.97345        -1.281399      0.136435     -1.123357
      4.01820      6.10506     15.71519        -0.821923     -0.458994     -0.152389
     18.19834     20.75257      7.94449        -0.015402      0.066508     -0.055666
     15.98722     19.57675      4.04668         0.082976      0.054551     -0.043726
     17.99647      7.23523      9.53218        -0.233871      0.088584     -0.263050
     16.18027      9.92503      6.20911         0.018096     -0.270307      0.184803
     18.53065      2.40254      3.28629         0.237080      0.000684      0.333426
     20.64681     20.26379      5.56440         0.010675      0.143669      0.101613
     19.22372      9.19206      5.38018        -0.075945     -0.049120      0.028560
      0.64529     10.22701      9.02601        -0.810129     -0.740817     -0.875413
     14.02813     17.44788      5.37391        -0.056826     -0.089136      0.064262
     15.95237     16.47580      5.69449         0.228317     -0.055861      0.001786
     14.82980     16.13833      3.85478        -0.035554      0.000573     -0.110909
     11.89714     15.35333     11.49601        -0.051258     -0.120148     -0.117022
     11.42872     14.53424      9.53485        -0.010461     -0.095986     -0.051617
     13.21758     13.85772     10.64491         0.023656     -0.074955     -0.011484
     11.96258     17.94014      7.20763         0.069524      0.102457      0.061052
     10.01437     18.55776      6.44149        -0.200420     -0.003849      0.010434
     10.17449     16.82746      7.74716         0.156024      0.132524     -0.050120
     13.29090     18.54269      0.11410         0.157615     -0.079407      0.134520
     14.17641     17.12365      1.51865         0.114316     -0.068503      0.029622
     12.10861     16.89604      0.84796        -0.133346     -0.136039     -0.172172
     11.04226      0.31349     18.32665        -0.116528     -0.045914     -0.032074
     12.92780     -0.48075     19.07362         0.176197     -0.092467      0.188595
     12.13978     20.14460     17.13897         0.127906     -0.027282      0.060739
      8.47649     19.33554      3.46508        -0.070706     -0.045722     -0.300644
      7.71204     18.78455      1.46622        -0.180754     -0.211981     -0.077973
      9.57811     17.95174      2.24930         0.076849     -0.001810     -0.019414
      7.60186      0.85509     20.34823         0.174569      0.044216     -0.058208
      5.88653      1.01880     18.99240         0.055125      0.071489     -0.144739
      6.00033     20.66433     20.45798         0.087405      0.215609     -0.197736
     10.11159      1.26945     13.33612         0.238178     -0.130944      0.067380
     11.14429     -0.05210     14.76059         0.016125      0.039753     -0.054778
      9.13679     20.74060     14.02926         0.138386      0.158245      0.123906
      8.60840      4.00622      9.58201        -0.042644     -0.033630      0.038195
     10.23912      3.01374     10.64843         0.168991      0.031243      0.042868
      9.69316      2.40272      8.61067         0.167835     -0.024579      0.329380
      6.06807      1.90092     16.20701        -0.069141     -0.118946     -0.477067
      5.07396      1.26841     14.35323         0.101624      0.144540      0.222102
      7.03038      0.51910     14.85561         0.035633     -0.151202      0.184302
      4.88959      5.10457     12.13405        -0.112784     -0.157321     -0.094041
      2.94828      4.17948     11.73170        -0.038269     -0.127687      0.108734
      4.40120      3.22256     13.03418        -0.077559      0.067300     -0.061574
      7.21543      4.46606      5.30637         0.015584     -0.030473      0.360041
      7.43934      2.95053      6.86737         0.114211     -0.071641     -0.153664
      5.45672      3.46099      6.04791        -0.056282      0.069215     -0.028658
     -0.58902      7.24388      4.48917        -0.076883      0.074396      0.229839
      0.96174      7.39784      3.03146         0.042750     -0.092799      0.103061
     -0.73409      6.00860      2.73553         0.036566      0.008332      0.176325
      3.22600      5.71898      9.88663        -0.120935      0.049823     -0.164865
      1.79431      4.53414      8.81039        -0.215072     -0.203633     -0.033898
      3.80529      4.76257      8.00307        -0.170246      0.032537      0.105978
      6.13459      6.96709      3.54891         0.001001     -0.108114     -0.020356
      4.19179      7.53979      4.44077         0.037327      0.017875     -0.053569
      5.08709      5.71133      5.03948         0.025989     -0.020979     -0.061299
      0.03885      8.64041     20.79201         0.218083     -0.504705      0.219190
      1.58277      7.18264     -0.99818         0.259867     -0.181969      0.061433
      0.28927      6.80578      0.67831        -0.129852      0.069023     -0.097408
     19.43784      9.39987     19.10611        -0.172244      0.026717     -0.084058
     19.70598     10.32014     17.13436         0.088686      0.078275     -0.131976
     18.23947      8.75561     17.38280        -0.086876     -0.031292      0.222350
      4.87622      8.18442     19.98155        -0.078718     -0.116493      0.046318
      3.76687      6.77388     18.82436        -0.016109     -0.268974      0.279002
      4.77267      8.36991     17.78337        -0.070754      0.025765     -0.244072
      3.33473     11.47022     14.30381        -0.082148      0.108068     -0.000991
      2.60888     11.56705     16.35286        -0.137733     -0.021190      0.180119
      4.03523     10.05020     15.80176        -0.203414      0.100114     -0.184866
     17.30414     11.28181     13.20432         0.000865     -0.004468      0.212969
     18.83656      9.89278     12.61591         0.009607     -0.143812     -0.150718
     18.03069      9.80871     14.65123        -0.038168     -0.060180      0.102951
     16.22396     14.17416      9.86977        -0.174210      0.122319      0.065113
     17.78137     14.93549      8.52722         0.207141      0.057627     -0.038187
     16.25347     13.65157      7.73102        -0.008055     -0.001443      0.010937
      1.79608     12.53720     12.39992        -0.122430     -0.056452     -0.199710
      0.36643     11.05707     11.83121         0.018658      0.037039      0.166062
      1.38633     12.19097     10.28110         0.109146      0.118217     -0.025960
      1.28140     15.67241      7.02379        -0.016031      0.119050     -0.150518
      0.08799     15.70335      8.86294        -0.044737     -0.050287     -0.011822
      1.53162     14.14469      8.56561         0.075451      0.110161     -0.198103
     17.44924     16.19919      2.68066         0.183198      0.009258      0.035010
     18.98916     14.71183      3.06147         0.187474      0.004553     -0.012435
     17.04008     14.58053      4.08002         0.094077     -0.014950     -0.190550
 -----------------------------------------------------------------------------------
    total drift:                                0.003572     -0.000169     -0.011974


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4571.3778575642 eV

  energy  without entropy=    -4571.5272467409  energy(sigma->0) =    -4571.42765396
 
 d Force = 0.6131162E+00[ 0.194E+00, 0.103E+01]  d Energy = 0.6136808E+00-0.565E-03
 d Force = 0.8777173E+03[ 0.875E+03, 0.880E+03]  d Ewald  = 0.8777193E+03-0.207E-02


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.613681  1 .order   -0.613116   -1.032452   -0.193780
  (g-gl).g = 0.321E+01      g.g   = 0.324E+01  gl.gl    = 0.379E+01
 g(Force)  = 0.324E+01   g(Stress)= 0.000E+00 ortho     =-0.183E-02
 gamma     =   0.84661
 trial     =   0.31914
 opt step  =   0.39288  (harmonic =   0.39288) maximal distance =0.04999874
 next E    = -4571.399680   (d E  =  -0.63550)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   61(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.2628474E-01  (-0.2420261E+01)
 number of electron    2498.0000019 magnetization 
 augmentation part      162.6532778 magnetization 

  free energy =  -0.457135156609E+04  energy without entropy=  -0.457150104429E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   61(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3520
 total energy-change (2. order) :-0.4971820E-01  (-0.6112411E-01)
 number of electron    2498.0000019 magnetization 
 augmentation part      162.6589932 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8771
  0.8771

  free energy =  -0.457140128429E+04  energy without entropy=  -0.457155031363E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   61(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3696
 total energy-change (2. order) : 0.1766826E-02  (-0.1290404E-02)
 number of electron    2498.0000019 magnetization 
 augmentation part      162.6551724 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4237
  1.0880  1.7594

  free energy =  -0.457139951746E+04  energy without entropy=  -0.457154882201E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   61(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3480
 total energy-change (2. order) :-0.5399372E-03  (-0.1075526E-02)
 number of electron    2498.0000019 magnetization 
 augmentation part      162.6503491 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2862
  2.2048  0.8269  0.8269

  free energy =  -0.457140005740E+04  energy without entropy=  -0.457154895041E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   61(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3608
 total energy-change (2. order) :-0.1199004E-03  (-0.2114372E-03)
 number of electron    2498.0000019 magnetization 
 augmentation part      162.6520416 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3084
  2.3767  0.9855  0.9855  0.8856

  free energy =  -0.457140017730E+04  energy without entropy=  -0.457154939084E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   61(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) : 0.8626338E-04  (-0.1079981E-03)
 number of electron    2498.0000019 magnetization 
 augmentation part      162.6530275 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2284
  2.4127  1.0906  1.0906  0.7740  0.7740

  free energy =  -0.457140009103E+04  energy without entropy=  -0.457154905119E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   61(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) :-0.5085196E-05  (-0.2875240E-04)
 number of electron    2498.0000019 magnetization 
 augmentation part      162.6530163 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2104
  2.3932  0.9450  0.9450  1.1880  1.1880  0.6030

  free energy =  -0.457140009612E+04  energy without entropy=  -0.457154927213E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   61(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3208
 total energy-change (2. order) : 0.5832611E-05  (-0.3918249E-05)
 number of electron    2498.0000019 magnetization 
 augmentation part      162.6530163 magnetization 

  free energy =  -0.457140009029E+04  energy without entropy=  -0.457154920756E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0597       2 -56.1212       3 -56.0229       4 -55.8313       5 -55.8084
       6 -56.2853       7 -58.1673       8 -58.2225       9 -56.2603      10 -55.9400
      11 -56.0220      12 -55.7927      13 -55.8149      14 -56.0146      15 -58.1079
      16 -58.0513      17 -56.3819      18 -54.9939      19 -54.8922      20 -55.1205
      21 -55.6533      22 -55.6363      23 -55.6565      24 -55.6121      25 -54.9862
      26 -54.7622      27 -54.9282      28 -54.9424      29 -60.3840      30 -60.3724
      31 -55.6483      32 -55.7947      33 -55.6909      34 -55.3253      35 -55.4703
      36 -55.9664      37 -57.7876      38 -57.9996      39 -56.0510      40 -55.7496
      41 -55.8742      42 -55.6618      43 -55.7131      44 -55.8847      45 -58.0846
      46 -58.1117      47 -56.4529      48 -55.1211      49 -54.9447      50 -55.2708
      51 -55.8888      52 -55.8564      53 -55.7643      54 -55.7316      55 -55.0837
      56 -54.8505      57 -55.0051      58 -56.3763      59 -60.3630      60 -60.6165
      61 -55.9826      62 -56.0303      63 -55.9078      64 -55.7796      65 -55.7476
      66 -56.2345      67 -58.1388      68 -58.0870      69 -56.2227      70 -55.8843
      71 -55.9963      72 -55.7045      73 -55.6850      74 -55.9429      75 -58.0847
      76 -58.0926      77 -56.4355      78 -55.0997      79 -54.9442      80 -55.2383
      81 -55.8612      82 -55.8620      83 -55.8764      84 -55.8994      85 -55.2293
      86 -55.0358      87 -55.2006      88 -56.4360      89 -60.6831      90 -60.4405
      91 -55.6980      92 -55.8128      93 -55.7037      94 -55.4709      95 -55.5155
      96 -56.0293      97 -57.8451      98 -57.9868      99 -56.1482     100 -55.8559
     101 -55.9977     102 -55.6596     103 -55.7283     104 -55.9410     105 -58.1238
     106 -58.1740     107 -56.4610     108 -55.1335     109 -54.9772     110 -55.3981
     111 -55.9760     112 -55.8986     113 -55.8058     114 -55.8280     115 -55.1091
     116 -54.9408     117 -55.0338     118 -56.3661     119 -60.4483     120 -60.6271
     121 -55.9507     122 -55.9875     123 -55.8357     124 -55.7582     125 -55.7413
     126 -56.1609     127 -58.0604     128 -58.1710     129 -56.1114     130 -55.7595
     131 -55.8783     132 -55.6513     133 -55.5954     134 -55.8168     135 -57.9103
     136 -57.9870     137 -56.4188     138 -55.0610     139 -54.8735     140 -55.2725
     141 -55.8768     142 -55.8337     143 -55.9085     144 -55.8838     145 -55.1917
     146 -55.1074     147 -55.2221     148 -56.4377     149 -60.5457     150 -60.5862
     151 -55.6222     152 -55.6470     153 -55.4770     154 -55.3445     155 -55.4109
     156 -55.8685     157 -57.9290     158 -57.8284     159 -55.9732     160 -55.7086
     161 -55.8617     162 -55.4962     163 -55.5650     164 -55.7789     165 -57.9722
     166 -58.1264     167 -56.4464     168 -55.0638     169 -54.8529     170 -55.3139
     171 -55.9236     172 -55.9030     173 -55.8688     174 -55.7874     175 -55.3415
     176 -54.8697     177 -55.0554     178 -56.5152     179 -60.4780     180 -60.6318
     181 -55.9154     182 -56.0832     183 -55.9331     184 -55.6929     185 -55.6782
     186 -56.2363     187 -58.0355     188 -58.1680     189 -56.2405     190 -55.8506
     191 -55.9996     192 -55.7234     193 -55.7110     194 -55.9400     195 -58.0582
     196 -58.1561     197 -56.5342     198 -55.1031     199 -54.9553     200 -55.2985
     201 -55.9070     202 -55.9402     203 -55.9117     204 -55.8732     205 -55.1438
     206 -55.2281     207 -55.1889     208 -56.4665     209 -60.7495     210 -60.4937
     211 -55.9533     212 -56.0644     213 -55.9220     214 -55.7361     215 -55.6738
     216 -56.2155     217 -58.0876     218 -58.1650     219 -56.1076     220 -55.7823
     221 -55.8847     222 -55.5532     223 -55.4867     224 -55.8022     225 -57.9567
     226 -58.0596     227 -56.5493     228 -55.1201     229 -55.0201     230 -55.2942
     231 -55.7858     232 -55.8834     233 -55.8897     234 -55.7236     235 -54.9907
     236 -55.0883     237 -55.1968     238 -56.4583     239 -60.3718     240 -60.3741
     241 -55.9768     242 -56.0051     243 -55.8700     244 -55.7597     245 -55.7460
     246 -56.1826     247 -58.0915     248 -58.1246     249 -56.1709     250 -55.8412
     251 -55.9621     252 -55.7243     253 -55.7330     254 -55.9059     255 -57.9976
     256 -58.0591     257 -56.3486     258 -55.0479     259 -54.8291     260 -55.2082
     261 -55.7995     262 -55.8047     263 -55.8995     264 -55.9349     265 -55.3383
     266 -54.9775     267 -55.1731     268 -56.4299     269 -60.6269     270 -60.3618
     271 -55.9148     272 -55.9843     273 -55.8249     274 -55.7171     275 -55.6733
     276 -56.1001     277 -58.1174     278 -58.1318     279 -55.9512     280 -55.6419
     281 -55.7411     282 -55.5092     283 -55.5112     284 -55.7965     285 -58.0311
     286 -58.0323     287 -56.4271     288 -55.0470     289 -54.9446     290 -55.2583
     291 -55.8971     292 -55.8602     293 -55.8512     294 -55.8446     295 -55.2175
     296 -54.9589     297 -55.0669     298 -56.4443     299 -60.4678     300 -60.5892
     301 -55.8739     302 -56.0108     303 -55.8904     304 -55.6030     305 -55.6263
     306 -56.1356     307 -58.0497     308 -58.2175     309 -56.1469     310 -55.8112
     311 -55.9517     312 -55.6673     313 -55.6458     314 -55.8800     315 -57.9848
     316 -58.0429     317 -56.4064     318 -55.0015     319 -54.7736     320 -55.2470
     321 -55.7887     322 -55.7266     323 -55.8645     324 -55.8969     325 -55.2126
     326 -55.0722     327 -55.2383     328 -56.4541     329 -60.5818     330 -60.4281
     331 -55.7960     332 -55.8256     333 -55.7085     334 -55.6318     335 -55.6052
     336 -56.0612     337 -57.9537     338 -57.9394     339 -55.9352     340 -55.5930
     341 -55.7476     342 -55.5387     343 -55.5453     344 -55.7766     345 -57.9764
     346 -57.9448     347 -56.4859     348 -55.0252     349 -54.9575     350 -55.2725
     351 -55.8500     352 -55.8313     353 -55.7938     354 -55.7833     355 -55.2479
     356 -54.9150     357 -55.0319     358 -56.4682     359 -60.4848     360 -60.5708
     361 -39.1023     362 -38.8129     363 -38.9870     364 -39.0424     365 -38.9415
     366 -38.7383     367 -38.1036     368 -38.0841     369 -38.0861     370 -38.0961
     371 -38.1709     372 -38.1785     373 -38.7323     374 -38.2773     375 -38.6582
     376 -38.8058     377 -38.8368     378 -38.7282     379 -38.1483     380 -38.1129
     381 -38.2279     382 -38.0453     383 -38.2372     384 -37.9750     385 -38.8396
     386 -38.8012     387 -38.9036     388 -38.8294     389 -38.8216     390 -38.5170
     391 -38.2261     392 -38.1760     393 -38.1864     394 -38.1327     395 -38.2726
     396 -38.3078     397 -38.7281     398 -38.4150     399 -38.7102     400 -38.8468
     401 -38.7764     402 -38.7502     403 -38.1740     404 -38.1815     405 -38.4022
     406 -38.0673     407 -38.1012     408 -37.9527     409 -38.7530     410 -38.7419
     411 -38.9717     412 -38.7091     413 -38.8875     414 -38.5990     415 -38.2364
     416 -38.2418     417 -38.1324     418 -38.0957     419 -38.2411     420 -38.3502
     421 -38.5388     422 -38.2969     423 -38.5171     424 -38.7237     425 -38.5899
     426 -38.6167     427 -38.2462     428 -38.0836     429 -38.3185     430 -38.2644
     431 -38.0399     432 -37.9785     433 -38.7654     434 -38.6954     435 -38.9095
     436 -38.6910     437 -38.9364     438 -38.6669     439 -38.4607     440 -38.1216
     441 -38.2360     442 -38.1750     443 -38.2356     444 -38.0946     445 -38.8450
     446 -38.8059     447 -38.9432     448 -38.7051     449 -38.7772     450 -38.3358
     451 -38.1497     452 -37.9901     453 -38.0875     454 -37.9783     455 -38.1675
     456 -38.1941     457 -38.9074     458 -38.6786     459 -38.8763     460 -38.8736
     461 -38.8798     462 -38.6740     463 -38.1202     464 -38.2770     465 -38.2001
     466 -38.4708     467 -38.1436     468 -38.2675     469 -38.8628     470 -38.7360
     471 -38.7018     472 -38.8131     473 -38.5659     474 -38.4254     475 -38.2088
     476 -38.0866     477 -38.1781     478 -38.1043     479 -38.1815     480 -37.9731
     481 -38.8634     482 -38.7360     483 -38.9010     484 -38.8434     485 -38.9120
     486 -38.7539     487 -38.1573     488 -38.1663     489 -38.2021     490 -38.3240
     491 -38.2736     492 -38.3496     493 -38.8219     494 -38.5679     495 -38.6995
     496 -38.7292     497 -38.5939     498 -38.5391     499 -38.1691     500 -37.9393
     501 -38.1824     502 -38.1354     503 -38.1457     504 -37.9558     505 -38.2166
     506 -41.1624     507 -71.6915     508 -71.6100     509 -71.4315     510 -71.5960
     511 -71.5544     512 -71.5882     513 -71.4057     514 -71.6043     515 -71.6107
     516 -71.4730     517 -71.3991     518 -71.4543     519 -71.5929     520 -71.6786
     521 -71.5140     522 -71.5174     523 -71.5748     524 -71.5201     525 -71.6187
     526 -71.4436     527 -71.6335     528 -71.5462     529 -71.2572     530 -71.5285
     531 -76.8811     532 -76.8026     533 -76.6599     534 -76.7238     535 -76.6478
     536 -76.4186     537 -76.8004     538 -76.7336     539 -76.6404     540 -76.8242
     541 -76.6913     542 -76.6977     543 -76.6388     544 -76.4972     545 -76.8290
     546 -76.7934     547 -76.7950     548 -76.6974     549 -76.5767     550 -76.5288
     551 -76.4621     552 -76.6002     553 -76.8975     554 -76.6955     555 -76.6884
     556 -76.7518     557 -76.7583     558 -76.6758     559 -76.7547     560 -76.7768
     561 -76.6558     562 -76.5619     563 -76.7607     564 -76.7285     565 -76.7029
     566 -76.6152     567 -76.7360     568 -76.7800     569 -76.8484     570 -76.6461
     571 -76.8480     572 -76.7035     573 -76.6369     574 -76.6133     575 -76.5215
     576 -76.5544     577 -76.5917     578 -76.5329     579 -82.2789     580 -82.3676
     581 -82.3461     582 -82.2869     583 -82.2884     584 -82.2975     585 -82.5162
     586 -82.5560     587 -82.5268     588 -82.1733     589 -82.1821     590 -82.3922
     591 -82.3608     592 -82.2307     593 -82.3620     594 -82.6026     595 -82.6304
     596 -82.6539     597 -82.5643     598 -82.4648     599 -82.5382     600 -82.3109
     601 -82.2148     602 -82.2984     603 -82.5410     604 -82.4338     605 -82.5710
     606 -82.3390     607 -82.3492     608 -82.5995     609 -82.6884     610 -82.3650
     611 -82.5030     612 -82.4119     613 -82.3503     614 -82.3329     615 -82.5289
     616 -82.4384     617 -82.3533     618 -82.7114     619 -82.8765     620 -82.6950
     621 -82.2550     622 -82.3674     623 -82.3544     624 -82.2192     625 -82.4680
     626 -82.1851     627 -82.1396     628 -82.2731     629 -82.3294     630 -82.3609
     631 -82.7519     632 -82.4223     633 -82.4767     634 -82.5510     635 -82.4391
     636 -82.3051     637 -82.4475     638 -82.2967     639 -82.3016     640 -82.3780
     641 -82.3898     642 -82.3623     643 -82.5509     644 -82.4726     645 -82.4496
     646 -82.4777     647 -82.5665     648 -82.3630     649 -82.3988     650 -82.3203
 
 
 
 E-fermi :  -1.4582     XC(G=0):  -6.4989     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.2327      2.00000
      2     -28.9711      2.00000
      3     -28.9501      2.00000
      4     -28.9311      2.00000
      5     -28.9105      2.00000
      6     -28.9093      2.00000
      7     -28.8933      2.00000
      8     -28.8598      2.00000
      9     -28.8529      2.00000
     10     -28.8437      2.00000
     11     -28.8244      2.00000
     12     -28.8056      2.00000
     13     -28.7794      2.00000
     14     -28.7736      2.00000
     15     -28.7220      2.00000
     16     -28.7127      2.00000
     17     -28.6851      2.00000
     18     -28.6767      2.00000
     19     -28.6687      2.00000
     20     -28.6405      2.00000
     21     -28.6267      2.00000
     22     -28.5868      2.00000
     23     -28.5704      2.00000
     24     -28.5629      2.00000
     25     -26.9045      2.00000
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   1175      -2.7077      2.00000
   1176      -2.6895      2.00000
   1177      -2.6778      2.00000
   1178      -2.6664      2.00000
   1179      -2.6613      2.00000
   1180      -2.6362      2.00000
   1181      -2.6269      2.00000
   1182      -2.6149      2.00000
   1183      -2.6092      2.00000
   1184      -2.6009      2.00000
   1185      -2.5955      2.00000
   1186      -2.5926      2.00000
   1187      -2.5828      2.00000
   1188      -2.5696      2.00000
   1189      -2.5597      2.00000
   1190      -2.5543      2.00000
   1191      -2.5367      2.00000
   1192      -2.5202      2.00000
   1193      -2.5092      2.00000
   1194      -2.5068      2.00000
   1195      -2.4921      2.00000
   1196      -2.4867      2.00000
   1197      -2.4813      2.00000
   1198      -2.4740      2.00000
   1199      -2.4710      2.00000
   1200      -2.4605      2.00000
   1201      -2.4527      2.00000
   1202      -2.4412      2.00000
   1203      -2.4371      2.00000
   1204      -2.4349      2.00000
   1205      -2.4273      2.00000
   1206      -2.4192      2.00000
   1207      -2.4120      2.00000
   1208      -2.4035      2.00000
   1209      -2.3951      2.00000
   1210      -2.3925      2.00000
   1211      -2.3890      2.00000
   1212      -2.3838      2.00000
   1213      -2.3831      2.00000
   1214      -2.3805      2.00000
   1215      -2.3737      2.00000
   1216      -2.3682      2.00000
   1217      -2.3662      2.00000
   1218      -2.3592      2.00000
   1219      -2.3532      2.00000
   1220      -2.3462      2.00000
   1221      -2.3360      2.00000
   1222      -2.3235      2.00000
   1223      -2.3186      2.00000
   1224      -2.3102      2.00000
   1225      -2.2947      2.00000
   1226      -2.2844      2.00000
   1227      -2.2778      2.00000
   1228      -2.2702      2.00000
   1229      -2.2688      2.00000
   1230      -2.2625      2.00000
   1231      -2.2513      2.00000
   1232      -2.2326      2.00000
   1233      -2.2312      2.00000
   1234      -2.2209      2.00000
   1235      -2.1983      2.00000
   1236      -2.1928      2.00000
   1237      -2.1694      2.00001
   1238      -1.8124      2.03114
   1239      -1.7224      2.06842
   1240      -1.7051      2.07089
   1241      -1.6946      2.07032
   1242      -1.6850      2.06804
   1243      -1.6537      2.04527
   1244      -1.6334      2.01401
   1245      -1.6243      1.99495
   1246      -1.6076      1.95044
   1247      -1.6070      1.94871
   1248      -1.5900      1.88940
   1249      -1.5801      1.84840
   1250       0.1284     -0.00000
   1251       0.2114     -0.00000
   1252       0.2150     -0.00000
   1253       0.2364     -0.00000
   1254       0.2519     -0.00000
   1255       0.2615     -0.00000
   1256       0.2699     -0.00000
   1257       0.3324     -0.00000
   1258       0.3406     -0.00000
   1259       0.3612     -0.00000
   1260       0.3753     -0.00000
   1261       0.5045     -0.00000
   1262       0.6302     -0.00000
   1263       0.6621     -0.00000
   1264       0.7139     -0.00000
   1265       0.7197     -0.00000
   1266       0.7318     -0.00000
   1267       0.7484     -0.00000
   1268       0.7921     -0.00000
   1269       0.8027     -0.00000
   1270       0.8186     -0.00000
   1271       0.8311     -0.00000
   1272       0.8448     -0.00000
   1273       0.8609     -0.00000
   1274       0.9001     -0.00000
   1275       0.9006     -0.00000
   1276       0.9155     -0.00000
   1277       0.9365     -0.00000
   1278       0.9718     -0.00000
   1279       0.9806     -0.00000
   1280       1.0181     -0.00000
   1281       1.0295     -0.00000
   1282       1.0635     -0.00000
   1283       1.1149     -0.00000
   1284       1.1231     -0.00000
   1285       1.1540     -0.00000
   1286       1.2018     -0.00000
   1287       1.2251     -0.00000
   1288       1.2931     -0.00000
   1289       1.3311     -0.00000
   1290       1.3628     -0.00000
   1291       1.4410     -0.00000
   1292       1.4999     -0.00000
   1293       1.5241     -0.00000
   1294       1.5552     -0.00000
   1295       1.5767     -0.00000
   1296       1.6220     -0.00000
   1297       1.6480     -0.00000
   1298       1.8152     -0.00000
   1299       1.8486     -0.00000
   1300       1.8616     -0.00000
   1301       1.8918     -0.00000
   1302       1.9081     -0.00000
   1303       1.9246     -0.00000
   1304       1.9801     -0.00000
   1305       2.0122     -0.00000
   1306       2.0301     -0.00000
   1307       2.0745     -0.00000
   1308       2.0791     -0.00000
   1309       2.0886     -0.00000
   1310       2.1131     -0.00000
   1311       2.1418     -0.00000
   1312       2.1484     -0.00000
   1313       2.1635     -0.00000
   1314       2.1752     -0.00000
   1315       2.1897     -0.00000
   1316       2.2118     -0.00000
   1317       2.2207     -0.00000
   1318       2.2264     -0.00000
   1319       2.2627     -0.00000
   1320       2.2953     -0.00000
   1321       2.3416     -0.00000
   1322       2.4105     -0.00000
   1323       2.4348     -0.00000
   1324       2.4417     -0.00000
   1325       2.4727     -0.00000
   1326       2.5114     -0.00000
   1327       2.5224     -0.00000
   1328       2.5280     -0.00000
   1329       2.5350     -0.00000
   1330       2.5450     -0.00000
   1331       2.5559     -0.00000
   1332       2.5708     -0.00000
   1333       2.5951     -0.00000
   1334       2.5981     -0.00000
   1335       2.6206     -0.00000
   1336       2.6317     -0.00000
   1337       2.6468     -0.00000
   1338       2.6566     -0.00000
   1339       2.6625     -0.00000
   1340       2.6675     -0.00000
   1341       2.6900     -0.00000
   1342       2.7070     -0.00000
   1343       2.7494     -0.00000
   1344       2.7638     -0.00000
   1345       2.8027     -0.00000
   1346       2.9405     -0.00000
   1347       2.9796     -0.00000
   1348       2.9993     -0.00000
   1349       3.0153     -0.00000
   1350       3.0187     -0.00000
   1351       3.0561     -0.00000
   1352       3.0618     -0.00000
   1353       3.0882     -0.00000
   1354       3.1148     -0.00000
   1355       3.1246     -0.00000
   1356       3.1418     -0.00000
   1357       3.1599     -0.00000
   1358       3.1678     -0.00000
   1359       3.2097     -0.00000
   1360       3.2193     -0.00000
   1361       3.2842     -0.00000
   1362       3.3639     -0.00000
   1363       3.4647     -0.00000
   1364       3.5022     -0.00000
   1365       3.5830     -0.00000
   1366       3.6370     -0.00000
   1367       3.6518     -0.00000
   1368       3.7096     -0.00000
   1369       3.7464     -0.00000
   1370       3.7540     -0.00000
   1371       3.7977     -0.00000
   1372       3.8158     -0.00000
   1373       3.8562     -0.00000
   1374       3.8607     -0.00000
   1375       3.8742      0.00000
   1376       3.8938      0.00000
   1377       3.8979      0.00000
   1378       3.9113      0.00000
   1379       3.9343      0.00000
   1380       3.9444      0.00000
   1381       3.9523      0.00000
   1382       3.9631      0.00000
   1383       3.9787      0.00000
   1384       3.9928      0.00000
   1385       4.0114      0.00000
   1386       4.0120      0.00000
   1387       4.0258      0.00000
   1388       4.0331      0.00000
   1389       4.0478      0.00000
   1390       4.0567      0.00000
   1391       4.0866      0.00000
   1392       4.0903      0.00000
   1393       4.1051      0.00000
   1394       4.1110      0.00000
   1395       4.1170      0.00000
   1396       4.1239      0.00000
   1397       4.1492      0.00000
   1398       4.1566      0.00000
   1399       4.1662      0.00000
   1400       4.1895      0.00000
   1401       4.1934      0.00000
   1402       4.2173      0.00000
   1403       4.2290      0.00000
   1404       4.2327      0.00000
   1405       4.2533      0.00000
   1406       4.2707      0.00000
   1407       4.2772      0.00000
   1408       4.2927      0.00000
   1409       4.3056      0.00000
   1410       4.3178      0.00000
   1411       4.3332      0.00000
   1412       4.3472      0.00000
   1413       4.3509      0.00000
   1414       4.3773      0.00000
   1415       4.3924      0.00000
   1416       4.4041      0.00000
   1417       4.4192      0.00000
   1418       4.4203      0.00000
   1419       4.4408      0.00000
   1420       4.4585      0.00000
   1421       4.4669      0.00000
   1422       4.4732      0.00000
   1423       4.4875      0.00000
   1424       4.5082      0.00000
   1425       4.5296      0.00000
   1426       4.5541      0.00000
   1427       4.5663      0.00000
   1428       4.5845      0.00000
   1429       4.5916      0.00000
   1430       4.6246      0.00000
   1431       4.6418      0.00000
   1432       4.6700      0.00000
   1433       4.6836      0.00000
   1434       4.6947      0.00000
   1435       4.7619      0.00000
   1436       4.7760      0.00000
   1437       4.8073      0.00000
   1438       4.8226      0.00000
   1439       4.8340      0.00000
   1440       4.8407      0.00000
   1441       4.8703      0.00000
   1442       4.8783      0.00000
   1443       4.9243      0.00000
   1444       4.9342      0.00000
   1445       4.9459      0.00000
   1446       4.9520      0.00000
   1447       4.9732      0.00000
   1448       4.9827      0.00000
   1449       5.0012      0.00000
   1450       5.0052      0.00000
   1451       5.0319      0.00000
   1452       5.0516      0.00000
   1453       5.0571      0.00000
   1454       5.0852      0.00000
   1455       5.1068      0.00000
   1456       5.1110      0.00000
   1457       5.1224      0.00000
   1458       5.1296      0.00000
   1459       5.1365      0.00000
   1460       5.1422      0.00000
   1461       5.1750      0.00000
   1462       5.1984      0.00000
   1463       5.2072      0.00000
   1464       5.2382      0.00000
   1465       5.2405      0.00000
   1466       5.2442      0.00000
   1467       5.2572      0.00000
   1468       5.2701      0.00000
   1469       5.2726      0.00000
   1470       5.2885      0.00000
   1471       5.2981      0.00000
   1472       5.3079      0.00000
   1473       5.3319      0.00000
   1474       5.3373      0.00000
   1475       5.3456      0.00000
   1476       5.3518      0.00000
   1477       5.3582      0.00000
   1478       5.3722      0.00000
   1479       5.3799      0.00000
   1480       5.3828      0.00000
   1481       5.3945      0.00000
   1482       5.4047      0.00000
   1483       5.4130      0.00000
   1484       5.4293      0.00000
   1485       5.4388      0.00000
   1486       5.4431      0.00000
   1487       5.4576      0.00000
   1488       5.4696      0.00000
   1489       5.4743      0.00000
   1490       5.4818      0.00000
   1491       5.4941      0.00000
   1492       5.4972      0.00000
   1493       5.5104      0.00000
   1494       5.5117      0.00000
   1495       5.5309      0.00000
   1496       5.5385      0.00000
   1497       5.5448      0.00000
   1498       5.5546      0.00000
   1499       5.5610      0.00000
   1500       5.5668      0.00000
   1501       5.5761      0.00000
   1502       5.5869      0.00000
   1503       5.6041      0.00000
   1504       5.6098      0.00000
   1505       5.6217      0.00000
   1506       5.6320      0.00000
   1507       5.6389      0.00000
   1508       5.6464      0.00000
   1509       5.6578      0.00000
   1510       5.6630      0.00000
   1511       5.6663      0.00000
   1512       5.6755      0.00000
   1513       5.6846      0.00000
   1514       5.6995      0.00000
   1515       5.7118      0.00000
   1516       5.7230      0.00000
   1517       5.7353      0.00000
   1518       5.7438      0.00000
   1519       5.7539      0.00000
   1520       5.7600      0.00000
   1521       5.7784      0.00000
   1522       5.7868      0.00000
   1523       5.7961      0.00000
   1524       5.8004      0.00000
   1525       5.8105      0.00000
   1526       5.8269      0.00000
   1527       5.8294      0.00000
   1528       5.8379      0.00000
   1529       5.8490      0.00000
   1530       5.8578      0.00000
   1531       5.8780      0.00000
   1532       5.8917      0.00000
   1533       5.8975      0.00000
   1534       5.9100      0.00000
   1535       5.9214      0.00000
   1536       5.9233      0.00000
   1537       5.9274      0.00000
   1538       5.9319      0.00000
   1539       5.9526      0.00000
   1540       5.9621      0.00000
   1541       5.9724      0.00000
   1542       5.9767      0.00000
   1543       5.9904      0.00000
   1544       5.9933      0.00000
   1545       6.0094      0.00000
   1546       6.0136      0.00000
   1547       6.0283      0.00000
   1548       6.0338      0.00000
   1549       6.0389      0.00000
   1550       6.0462      0.00000
   1551       6.0547      0.00000
   1552       6.0631      0.00000
   1553       6.0747      0.00000
   1554       6.0833      0.00000
   1555       6.0957      0.00000
   1556       6.1031      0.00000
   1557       6.1143      0.00000
   1558       6.1232      0.00000
   1559       6.1333      0.00000
   1560       6.1405      0.00000
   1561       6.1473      0.00000
   1562       6.1565      0.00000
   1563       6.1743      0.00000
   1564       6.1804      0.00000
   1565       6.1910      0.00000
   1566       6.1971      0.00000
   1567       6.2040      0.00000
   1568       6.2078      0.00000
   1569       6.2157      0.00000
   1570       6.2308      0.00000
   1571       6.2342      0.00000
   1572       6.2424      0.00000
   1573       6.2495      0.00000
   1574       6.2528      0.00000
   1575       6.2647      0.00000
   1576       6.2715      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.089  13.414  -0.001   0.001  -0.000   0.002  -0.005   0.000
 13.414  17.834  -0.001   0.002  -0.000   0.002  -0.006   0.000
 -0.001  -0.001  -4.234   0.003   0.001   8.281  -0.005  -0.001
  0.001   0.002   0.003  -4.234   0.001  -0.005   8.280  -0.001
 -0.000  -0.000   0.001   0.001  -4.227  -0.001  -0.001   8.271
  0.002   0.002   8.281  -0.005  -0.001 -18.327   0.007   0.002
 -0.005  -0.006  -0.005   8.280  -0.001   0.007 -18.323   0.000
  0.000   0.000  -0.001  -0.001   8.271   0.002   0.000 -18.316
 total augmentation occupancy for first ion, spin component:           1
  8.479  -3.821   0.186   0.154  -0.042   0.023   0.029  -0.007
 -3.821   1.795  -0.092  -0.104   0.024  -0.010  -0.017   0.004
  0.186  -0.092   1.773  -0.063  -0.040   0.168  -0.012  -0.008
  0.154  -0.104  -0.063   1.910  -0.089  -0.012   0.179  -0.012
 -0.042   0.024  -0.040  -0.089   1.229  -0.008  -0.012   0.081
  0.023  -0.010   0.168  -0.012  -0.008   0.018  -0.002  -0.001
  0.029  -0.017  -0.012   0.179  -0.012  -0.002   0.018  -0.002
 -0.007   0.004  -0.008  -0.012   0.081  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -50804.08117 93091.58668 23810.81286-10851.35366  6611.41897 20120.83256
  Hartree  4850.00174119963.74386 61799.14016-11287.35388  4537.28778 14410.86531
  E(xc)  -10734.91728-10587.79678-10630.20610     2.92390     8.26645    32.81478
  Local   12518.31366************************ 22136.86337-11162.00392-33940.67278
  n-local -5845.43630 -5978.98388 -6033.12930     3.94052    16.58022   -63.38317
  augment  1494.28719  1535.07839  1486.76405     4.72471    12.36392    -3.55646
  Kinetic 45508.79090 43233.29056 43664.83726   -30.33101   -76.59972  -565.54637
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -105.1825435   -404.6217044   -152.7150947    -20.5860381    -52.6863087     -8.6461334
  in kB      -17.5400310    -67.4739080    -25.4664644     -3.4328866     -8.7858637     -1.4418119
  external PRESSURE =     -36.8268011 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.233E+03 -.109E+03 0.250E+03   0.233E+03 0.109E+03 -.252E+03   -.756E-01 -.881E+00 0.153E+01   0.367E-03 -.237E-03 0.878E-03
   -.189E+03 -.134E+03 0.601E+02   0.189E+03 0.135E+03 -.596E+02   0.453E+00 -.123E+01 -.273E+00   0.483E-03 0.347E-03 0.687E-03
   -.164E+03 -.125E+03 0.338E+01   0.163E+03 0.126E+03 -.165E+01   0.191E+00 -.115E+01 -.159E+01   0.615E-03 -.737E-04 0.512E-03
   -.219E+03 -.963E+02 0.340E+03   0.219E+03 0.964E+02 -.343E+03   -.293E+00 -.824E-01 0.257E+01   0.875E-03 -.710E-04 0.465E-03
   -.165E+03 -.148E+03 0.301E+03   0.165E+03 0.148E+03 -.302E+03   0.203E+00 -.821E+00 0.968E+00   0.978E-03 0.160E-03 0.848E-03
   -.148E+03 -.111E+03 0.167E+03   0.148E+03 0.111E+03 -.167E+03   0.886E-01 -.142E+00 -.842E-03   0.522E-03 -.132E-03 0.907E-03
   -.236E+03 -.131E+03 0.181E+03   0.235E+03 0.135E+03 -.183E+03   0.697E+00 -.465E+01 0.873E+00   -.338E-03 0.601E-03 0.909E-03
   -.183E+03 -.113E+03 0.346E+02   0.184E+03 0.117E+03 -.367E+02   -.475E+00 -.397E+01 0.200E+01   0.402E-03 0.475E-03 0.196E-03
   -.106E+03 0.397E+01 0.194E+03   0.106E+03 -.389E+01 -.195E+03   0.185E+00 0.144E+00 -.126E-01   0.324E-03 -.110E-03 0.406E-03
   -.832E+02 0.867E+02 0.617E+02   0.826E+02 -.882E+02 -.604E+02   0.450E+00 0.141E+01 -.117E+01   0.391E-03 -.551E-03 0.329E-03
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 -----------------------------------------------------------------------------------------------
   0.136E+02 -.935E+01 -.266E+02   -.463E-11 -.279E-11 0.227E-11   -.136E+02 0.939E+01 0.265E+02   -.482E-01 -.346E-01 0.886E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.08350      3.17064      1.34280         0.056194     -0.371024     -0.000078
     12.85906      3.58579      2.64725         0.062833     -0.230406      0.255409
     12.84273      4.93715      2.99603        -0.073982      0.095152      0.148346
     13.12499      4.09703      0.30967         0.030732     -0.076667     -0.033188
     12.99403      5.44294      0.64695         0.073898      0.004244     -0.104618
     12.94679      5.92050      1.97969        -0.028730     -0.060131     -0.110384
     13.24373      1.68784      1.33837         0.079635     -0.330007     -0.247011
     12.67538      2.35320      3.49454         0.010863      0.202962     -0.090845
     13.05326      7.39512      2.23292         0.059043      0.225110     -0.148709
     13.06759      7.98319      3.51931        -0.080627     -0.120198      0.119418
     13.31676      9.34990      3.65774        -0.045538      0.051256      0.183106
     13.22325      8.28862      1.14208        -0.006707      0.123682     -0.156238
     13.44398      9.66459      1.28077        -0.018298     -0.043527     -0.028715
     13.51432     10.18843      2.57164         0.027617      0.164396      0.008306
     13.73734     11.57785      3.07764         0.140880      0.686566     -0.194763
     13.38867     10.17734      4.90089        -0.133232     -0.337131      0.659195
     13.73029     12.64684      5.44154         0.101538      0.049228     -0.071064
     13.46382     12.52542      6.81407         0.037036     -0.096161     -0.149717
     13.48756     13.63814      7.65166         0.007323      0.060848      0.244250
     14.08781     13.94025      5.01162        -0.102685     -0.327201      0.114738
     14.11368     15.05054      5.87275         0.002144     -0.031309      0.282678
     13.80581     14.96050      7.28507         0.047317     -0.071574     -0.275080
     13.87520     16.07130      8.33570        -0.051436     -0.052190      0.111075
     13.27484     16.06797      9.64984        -0.093511      0.021086      0.222286
     13.35526     17.19535     10.49347         0.013506      0.102624     -0.123297
     14.56891     17.27361      8.06215         0.028599     -0.156451      0.037721
     14.56198     18.41626      8.85601        -0.006210     -0.006608      0.057771
     13.93189     18.39685     10.09205         0.018842     -0.011983     -0.006176
     12.46493     14.95863     10.30452        -0.047950      0.101124      0.048786
     14.69665     16.26714      5.19468        -0.249462     -0.000716      0.174427
      9.77135      3.85460      4.76464         0.001611     -0.088913     -0.285533
      9.73014      4.78115      3.72716        -0.015748     -0.154612     -0.157370
      9.81265      6.15570      3.98861        -0.045072      0.064747     -0.131453
      9.92175      4.26106      6.08013         0.097741     -0.028011      0.076282
      9.98632      5.62567      6.33963         0.020080      0.010949      0.120429
      9.93637      6.61636      5.32666         0.028348     -0.082164      0.067484
      9.53446      2.49684      4.22252        -0.054694     -0.799164      0.393501
      9.59133      4.00161      2.43226         0.055345      0.219753      0.204535
     10.01104      8.06609      5.71655         0.037150     -0.018412      0.044628
     10.08080      9.11336      4.77088         0.047713      0.021749     -0.245019
     10.20630     10.43016      5.20150         0.001454      0.129399     -0.117541
      9.99413      8.45449      7.08021        -0.040378      0.077190      0.129888
     10.04813      9.78550      7.51312         0.127689      0.098508     -0.085271
     10.19566     10.77666      6.54582        -0.019735      0.256207      0.099010
     10.27689     12.26607      6.65538         0.001726      0.217732      0.247059
     10.32104     11.68815      4.40366        -0.024503     -0.174499      0.171793
     10.76493     14.13106      4.93012        -0.113750      0.083918      0.084140
     11.26551     14.45571      3.66540        -0.017660     -0.114142     -0.027711
     11.65242     15.76011      3.36453         0.054643      0.152353     -0.080163
     10.63311     15.21686      5.81305        -0.037804     -0.112452     -0.060078
     11.00481     16.54373      5.49215        -0.140251     -0.082839      0.092926
     11.55718     16.90188      4.19555        -0.041406     -0.170122      0.059872
     12.01482     18.28813      3.70350         0.202355      0.099938     -0.055469
     12.59103     18.69289      2.43005         0.150843     -0.058254     -0.147003
     12.90274     20.04026      2.15617         0.088985      0.105043      0.158850
     11.92635     19.38904      4.58357        -0.102596     -0.082407      0.009622
     12.20191     20.72517      4.31642         0.012618      0.238924     -0.097530
     12.65565     21.09907      3.04492         0.046918      0.037523      0.023876
     13.03847     17.81125      1.24697        -0.084310      0.305574      0.218756
     10.79542     17.46059      6.69957        -0.099607     -0.168997     -0.142149
     10.43390      7.09018     14.67832         0.036165     -0.466577     -0.054757
     10.33302      7.49584     16.00010         0.096539     -0.074199      0.286362
     10.37269      8.85083     16.35436        -0.027850      0.276086      0.278855
     10.44221      8.03500     13.66186         0.140170      0.190635     -0.020394
     10.37728      9.39249     14.01382         0.155989     -0.167779     -0.090258
     10.40825      9.86876     15.35201         0.012876     -0.193010     -0.044633
     10.51060      5.59094     14.63845        -0.016650     -0.057333      0.223268
     10.17328      6.24560     16.83578         0.006440     -0.049715      1.059091
     10.48743     11.36845     15.60955         0.086001      0.184763     -0.024038
     10.52848     11.98244     16.89580         0.059781     -0.073990      0.137190
     10.66734     13.37902     17.01902         0.013988     -0.010229      0.132463
     10.57196     12.26653     14.50567         0.065595      0.114149     -0.013525
     10.71545     13.65701     14.62895         0.008771      0.033891     -0.011583
     10.77175     14.21111     15.90960         0.008024      0.191151      0.038517
     10.90737     15.63851     16.37260         0.061089      0.416288     -0.253199
     10.70618     14.26374     18.24328        -0.090421     -0.383203      0.564048
     10.72275     16.79965     18.67945        -0.014607      0.095010      0.160928
     10.10556     16.75598     19.93525         0.066161     -0.323328     -0.175666
      9.93047     17.90848     20.69986        -0.065148      0.044453      0.065964
     11.19863     18.08085     18.32046        -0.025842     -0.282083      0.044778
     11.06580     19.24347     19.12136         0.128187     -0.080611     -0.118351
     10.39081     19.21061     20.42345         0.128493      0.020172     -0.234910
     10.14018     20.34338      0.19357         0.019067      0.101845      0.003651
      9.50358     20.29989      1.50301        -0.098720     -0.015125     -0.099089
      9.29016      0.19159      2.29270         0.034662      0.183020     -0.173346
     10.53556      0.40364     21.14838        -0.091509      0.062429     -0.016626
     10.27850      1.56072      0.63479         0.052763      0.040092      0.005916
      9.67772      1.48508      1.89607        -0.073416     -0.061910      0.007422
      8.84050     19.10194      2.15147         0.168634      0.028692      0.171444
     11.78794     20.42001     18.42651        -0.144690     -0.052338      0.363300
      7.25726      7.65353     17.42288        -0.036818     -0.170403     -0.075567
      7.16550      8.58539     16.39537        -0.048813     -0.059139     -0.236297
      7.12918      9.96130     16.66853        -0.007248      0.007824     -0.203425
      7.39786      8.06001     18.74408         0.060224     -0.076935     -0.140522
      7.41911      9.42837     19.00096        -0.028382      0.064647      0.185821
      7.26306     10.42711     18.00433         0.068148     -0.153792     -0.009485
      6.98217      6.30229     16.86763        -0.088493     -0.586417      0.266022
      7.02987      7.80414     15.09785        -0.032989      0.118365      0.133995
      7.23672     11.87864     18.41810         0.028914      0.135299      0.044452
      7.21546     12.97114     17.50964         0.011609     -0.067594     -0.263784
      7.20912     14.28581     17.98543         0.022977      0.240431     -0.129355
      7.27676     12.22266     19.79400        -0.035975      0.075256      0.108074
      7.28371     13.53734     20.27034         0.099690      0.047695     -0.037457
      7.22549     14.57239     19.34505        -0.014827      0.343705      0.010878
      7.18890     16.05832     19.53353         0.000954     -0.016630     -0.117995
      7.26059     15.60404     17.25144        -0.003108     -0.225904     -0.025670
      7.53447     18.05217     17.94604        -0.049438      0.005174     -0.060670
      8.27938     18.42762     16.83041         0.061049     -0.162252     -0.022896
      8.62388     19.75634     16.61172         0.249572      0.137197     -0.183313
      7.11129     19.11757     18.75999         0.043631     -0.019063     -0.088296
      7.43782     20.48462     18.51791        -0.164989     -0.118842      0.006603
      8.25838     20.88521     17.37608         0.060146     -0.075207     -0.093893
      8.79501      1.01393     16.91108         0.046069      0.102670      0.089526
      9.45984      1.37619     15.65817         0.214701     -0.022337      0.101901
      9.90233      2.69639     15.42260         0.071427      0.415493      0.069518
      8.68637      2.13128     17.77290        -0.071368     -0.163740      0.035720
      9.16485      3.42993     17.55101         0.060847     -0.075770      0.202222
      9.76787      3.75915     16.33154         0.088812      0.105626      0.029879
      9.93748      0.51532     14.46414        -0.162185     -0.257880      0.098986
      6.75299      0.12893     19.55869        -0.042567     -0.160978     -0.287646
      6.93300     10.86226      6.13877        -0.004904     -0.273376      0.062751
      6.82006     11.30023      7.45038         0.034650     -0.219408      0.191381
      6.87569     12.66433      7.77986         0.000461      0.086136      0.290781
      7.15823     11.78439      5.11791        -0.048423     -0.052736      0.012841
      7.23466     13.13994      5.45888        -0.045152     -0.071246     -0.183613
      7.07584     13.64848      6.77311        -0.029785     -0.193490     -0.012007
      6.92805      9.36441      6.12057         0.022762     -0.372850     -0.365299
      6.78531     10.05949      8.32170         0.009109      0.121327      0.370714
      7.17208     15.14178      7.01424         0.017632      0.144564      0.074416
      7.10279     15.77919      8.28337        -0.026555     -0.188932      0.215764
      7.23947     17.17328      8.39422        -0.032717      0.053737      0.162234
      7.40039     16.01146      5.91707        -0.003660      0.098017     -0.226288
      7.46795     17.40275      6.01552        -0.030582      0.050365     -0.029869
      7.37051     17.98446      7.27662        -0.039761      0.127897      0.043772
      7.52894     19.40692      7.70606         0.060002      0.639652     -0.148340
      7.40690     18.05916      9.60174         0.069300     -0.301770      0.818675
      7.63198     20.59067      9.99756         0.119357      0.069111      0.045929
      7.18476     20.57970     11.31992         0.026960     -0.196208     -0.103732
      7.16554      0.48046     12.08252        -0.041494      0.124061      0.187190
      8.19251      0.56665      9.59744        -0.007430     -0.154615     -0.084309
      8.26541      1.71788     10.42780         0.061095     -0.158122      0.031714
      7.67230      1.75275     11.76265        -0.024155     -0.254531     -0.145384
      7.49761      2.89178     12.79534         0.009901     -0.083674      0.030838
      6.87192      2.84795     14.11540         0.088711     -0.034195      0.199810
      6.69922      3.99835     14.90919         0.006989      0.222981     -0.003899
      7.93555      4.19846     12.50029         0.013101      0.329418     -0.219235
      7.74516      5.35111     13.27922         0.133111      0.000277      0.043048
      7.13524      5.28689     14.53533        -0.115674     -0.206717      0.118617
      6.27618      1.64959     14.86096        -0.197393      0.071325      0.094776
      9.18136      2.77536      9.82660        -0.032659     -0.054474      0.108022
      4.23457     11.50487     10.62046        -0.033299     -0.175115     -0.091437
      3.97787     12.36477      9.56444        -0.071798     -0.063520     -0.247218
      4.02139     13.74870      9.71364         0.038449      0.195556     -0.269159
      4.57681     12.02829     11.86524         0.018159      0.005913     -0.119007
      4.59132     13.41978     12.02441         0.112769     -0.052178      0.045286
      4.32795     14.32755     10.96482         0.145466     -0.014520      0.003254
      3.87289     10.11607     10.20475        -0.050914     -0.259170      0.032627
      3.51586     11.54621      8.39983        -0.191755      0.150668     -0.567524
      4.37301     15.81979     11.17831         0.009173      0.073252     -0.050972
      4.05975     16.77729     10.17026        -0.005801      0.090101     -0.025221
      4.13070     18.14627     10.46250        -0.102468      0.152192     -0.211962
      4.78141     16.33510     12.43198         0.056224      0.136675      0.123292
      4.79855     17.69786     12.74108        -0.004342     -0.073265     -0.124298
      4.43310     18.59357     11.74386        -0.089881      0.253984     -0.053486
      4.30044     20.07574     11.78820        -0.031957     -0.434064     -0.523545
      4.00751     19.37454      9.56686         0.228017     -0.289496      2.124056
      4.36177      0.64039     10.05025        -0.162520      0.086437      0.233254
      4.80171      0.99996      8.77747         0.064070     -0.231405     -0.024328
      5.29014      2.27741      8.53521         0.095111      0.077422     -0.042798
      4.23622      1.73514     10.93320         0.047608     -0.091341     -0.048390
      4.74343      3.04554     10.67389        -0.098758     -0.091578      0.091823
      5.39755      3.38113      9.41984        -0.041188     -0.118321      0.155638
      6.00800      4.72714      8.91037         0.174871      0.294739     -0.231374
      6.50056      5.03139      7.57267         0.003805     -0.035342     -0.018008
      6.82933      6.34187      7.13944        -0.025299      0.275450      0.133488
      5.99883      5.91247      9.68609        -0.115031     -0.424633      0.252050
      6.25236      7.21315      9.25559         0.091936      0.347656     -0.022709
      6.63647      7.50227      7.93611         0.063498     -0.020323     -0.033895
      6.65336      3.99121      6.46308         0.138210      0.191035      0.073560
      4.28830      3.90547     11.86298        -0.010953      0.115069     -0.240427
      0.90770     14.17953      0.92205        -0.116782     -0.155860     -0.162574
      1.54690     14.61856      2.07193         0.105858     -0.079702      0.227997
      1.58740     16.00079      2.38282        -0.004537      0.054424      0.099871
      0.45454     15.07703     21.21679        -0.012125     -0.225690      0.121037
      0.57055     16.43227      0.23264        -0.124049      0.133521     -0.070638
      1.05332     16.96178      1.45874        -0.078301     -0.051604      0.164317
      0.83580     12.69776      0.91995        -0.030828      0.076956     -0.138327
      2.15574     13.35550      2.70455         0.733830      0.038903      0.822872
      0.95109     18.47970      1.65101        -0.069879      0.165766     -0.194472
      1.30725     19.22755      2.80970         0.196006     -0.303386      0.115722
      1.18402     20.62564      2.81392        -0.012568      0.192547      0.071418
      0.45767     19.26662      0.56361        -0.006394     -0.121414     -0.039613
      0.27401     20.65036      0.59245        -0.082696     -0.066187     -0.028982
      0.63138      0.06991      1.74794         0.057348      0.149572      0.136599
      0.56777      1.52417      2.08026        -0.217321      0.410455     -0.444050
      1.62954      0.39386      3.81817         0.347469     -0.247742      0.593713
      1.35597      2.94341      4.06409        -0.066917     -0.201828     -0.121387
      1.95454      2.99285      5.32263        -0.017574     -0.090458     -0.032846
      2.07803      4.20047      5.99355         0.080222     -0.003313      0.016522
      0.83561      4.17216      3.60378         0.245500     -0.159444      0.266836
      0.94268      5.38343      4.32512         0.103631     -0.094451      0.189958
      1.66583      5.48560      5.58668        -0.090687     -0.093517     -0.227694
      2.04577      6.70261      6.45740        -0.148446      0.239365     -0.116035
      2.51468      6.67624      7.81661        -0.064801     -0.313655      0.073931
      2.93210      7.80437      8.53006         0.140407      0.207994     -0.027593
      2.02680      8.04304      5.98020        -0.019754     -0.100722     -0.205431
      2.49291      9.17863      6.66637         0.002516      0.179809     -0.031413
      2.98867      9.08622      7.98270         0.085680      0.093430      0.240882
      2.79137      5.43807      8.63099         0.214885      0.321367     -0.120633
      0.15359      6.48596      3.65215         0.024012      0.068022      0.031140
      4.65784     14.08534      0.68942        -0.044737     -0.233528     -0.075041
      4.06865     14.97922     -0.19999        -0.132308      0.014667     -0.102292
      4.09143     16.37100      0.04472        -0.153538      0.177212     -0.147947
      5.30917     14.56223      1.82050         0.005077     -0.021011      0.013019
      5.29241     15.93325      2.07150         0.049635      0.027413     -0.039570
      4.67302     16.90226      1.23900         0.000585      0.059213      0.007674
      4.48073     12.68279      0.20300        -0.138412     -0.164393     -0.147384
      3.48000     14.13098     19.93759        -0.300946      0.106304     -0.438666
      4.71694     18.37770      1.69420         0.069405      0.138910      0.146890
      4.16406     19.51766      1.03444        -0.112667      0.012260     -0.169500
      4.33912     20.82660      1.55451        -0.155750     -0.010125     -0.143556
      5.39682     18.68445      2.90915        -0.023320      0.142990      0.049505
      5.58948     19.97464      3.41949        -0.025515     -0.029019      0.059621
      5.06068     21.05623      2.71622        -0.069884      0.096427      0.014199
      5.13940      1.27041      2.97321         0.414520      0.513244      0.488517
      3.86519      0.92806      1.06871        -0.275969     -0.012877     -0.457969
      4.04185      3.40078      1.93283        -0.142969      0.347774     -0.047350
      3.12791      3.99883      1.02994         0.055980      0.016194      0.039552
      2.89082      5.39375      0.98918        -0.027664     -0.312849     -0.195676
      4.58472      4.34960      2.84099        -0.039708     -0.097769     -0.103917
      4.26461      5.74245      2.81931         0.041788      0.001942     -0.285539
      3.45344      6.39717      1.81746         0.004207     -0.066770      0.027959
      3.10260      7.93768      1.67569         0.023108      0.160158      0.152304
      1.98258      8.52228      0.96391        -0.172085     -0.025739     -0.065625
      1.62141      9.87726      1.07424        -0.021952      0.023362      0.169087
      3.79906      8.97893      2.37697        -0.343670     -0.069505     -0.109945
      3.37098     10.31351      2.58669        -0.200781     -0.198633     -0.220912
      2.23851     10.81707      1.91763        -0.004227      0.060174      0.020520
      0.98130      7.79771      0.06285        -0.234174     -0.070613      0.363074
      4.91444      6.49269      3.94460        -0.142322     -0.091514      0.081685
     18.05585     17.34929     13.69335        -0.088761     -0.217266      0.051054
     19.06756     17.81691     14.52315         0.075585     -0.242395      0.155977
     19.32792     19.18230     14.67140         0.185466     -0.036071      0.218990
     17.32844     18.24732     12.91046         0.087197     -0.031449     -0.002717
     17.63984     19.60956     13.01642        -0.166501     -0.067484     -0.076063
     18.58552     20.13586     13.93402        -0.125517     -0.143803     -0.025596
     17.99334     15.85580     13.80284        -0.146086     -0.301776     -0.127956
     19.74413     16.61568     15.13848         0.167594      0.187840      0.134866
     18.70795      0.36136     14.14539        -0.027594      0.177227      0.082459
     19.64366      0.95021     15.03595         0.180998     -0.163800      0.152892
     19.61134      2.32357     15.29259         0.155320      0.038351      0.196035
     17.80161      1.25182     13.51836        -0.137037      0.175173     -0.095406
     17.79028      2.63480     13.74415        -0.012857      0.000293     -0.039120
     18.70847      3.15899     14.64921         0.051250      0.231460      0.064739
     18.93925      4.56323     15.10065        -0.241384      0.524764     -0.076971
     20.40794      3.17040     16.26158        -0.120382     -0.275741     -0.139557
     20.62137      5.67483     16.69731        -0.501602      0.349679      0.050942
      0.66573      5.65242     17.17414         0.063823      0.177380     -0.012115
      1.25602      6.81844     17.66302         0.528180     -0.269273      0.118595
     19.94364      6.89302     16.91492         0.370084      0.013946      0.090318
     20.54976      8.05428     17.48761        -0.505353     -0.313564     -0.235874
      0.69291      8.09561     17.84914        -0.054658     -0.147361     -0.072378
      1.57183      9.24338     18.43255         0.383764     -0.032312      0.275761
      2.93979      9.19055     18.97171        -0.268866     -0.327789     -0.400243
      3.58750     10.32529     19.50925        -0.145342      0.531759      0.086075
      1.05199     10.54833     18.56621        -0.088779      0.000322     -0.119434
      1.68721     11.66404     19.11857         0.350471      0.113332      0.221910
      2.98983     11.58832     19.64176        -0.232715      0.273307     -0.149461
      4.03279      8.09827     18.89349        -0.131235      0.403379      0.206307
     19.49329      9.11886     17.76977         0.237296      0.180396      0.173584
      1.92252     18.22830     14.12953        -0.079500     -0.161275     -0.140557
      1.20280     19.14896     13.36985        -0.096956     -0.101965     -0.172286
      1.27707     20.52433     13.62109        -0.150047      0.023162     -0.086854
      2.79548     18.66702     15.12503        -0.192807      0.090330     -0.090398
      2.86546     20.04305     15.38024        -0.112283     -0.028761      0.175302
      2.08928     21.01307     14.68033         0.134658     -0.071937      0.128329
      1.60778     16.84978     13.64962        -0.022275     -0.261357      0.143946
      0.44200     18.36973     12.31825        -0.392967      0.435414     -0.361082
      2.21989      1.22159     15.01377        -0.021985      0.017816     -0.030094
      1.66583      2.24251     14.20159        -0.142694     -0.015935     -0.004115
      1.91343      3.58355     14.48562        -0.202615      0.171956     -0.355655
      2.96257      1.66751     16.13463         0.204062      0.231835      0.143177
      3.32602      3.01240     16.33963        -0.018702     -0.180281      0.012055
      2.82021      3.96727     15.46478         0.003659      0.408311     -0.141020
      3.07635      5.43491     15.28352         0.629497      0.681148      0.338126
      1.36483      4.82503     13.81693         1.694115     -0.589394      1.629325
      1.58970      7.30851     14.34097         0.033184      0.079094      0.010960
      0.29067      7.59697     13.92224        -0.194374     -0.083782      0.009599
     21.01075      8.87276     14.07099        -0.031756      0.028028      0.040152
      2.32832      8.43092     14.77434        -0.043202     -0.170288     -0.037680
      1.78994      9.73735     14.90840         0.145812     -0.187639     -0.141837
      0.40052     10.03536     14.54893         0.144070     -0.063450     -0.098967
     20.88577     11.37233     14.55894        -0.144382      0.099753      0.127049
     19.50373     11.65644     14.16746        -0.162303      0.078464      0.063191
     18.95872     12.96239     14.24522         0.011929      0.111919      0.181860
      0.28039     12.55222     14.98468        -0.047444     -0.034866     -0.019943
     -0.25875     13.83915     15.07848        -0.012558      0.097669     -0.040416
     19.67928     14.09762     14.67227         0.152697     -0.108452      0.074664
     18.43337     10.66340     13.66912         0.163020      0.318770      0.181440
      2.90908     10.69610     15.34792        -0.040290     -0.078703     -0.082486
     16.18516      0.42379      5.23542         0.108765     -0.220801     -0.008280
     16.88100      0.83066      6.36603         0.191470     -0.272444      0.034764
     16.90682      2.17718      6.75867         0.109888      0.058033      0.260897
     15.46914      1.33956      4.48813         0.064245     -0.084600     -0.042262
     15.51546      2.67798      4.86766         0.007349     -0.013447     -0.104909
     16.22934      3.16176      5.98519        -0.079750     -0.085623     -0.007181
     16.46332     20.25039      4.95067        -0.039132     -0.274318     -0.265992
     17.59565     20.86106      6.89008         0.168683      0.052627      0.333057
     16.23146      4.65227      6.24232        -0.048227      0.146908      0.039733
     16.94510      5.29632      7.28083         0.076375     -0.206024      0.250637
     16.88420      6.68738      7.43502         0.042242      0.112278      0.174534
     15.48701      5.51864      5.39890        -0.070734      0.050424     -0.161172
     15.49194      6.91157      5.50039         0.087076     -0.016178      0.035335
     16.21475      7.49910      6.53141         0.011775      0.161409      0.009040
     16.47979      8.93191      6.86258        -0.108588      0.480312     -0.221736
     17.46097      7.58667      8.48867         0.296781     -0.352972      0.772714
     17.73731     10.11813      8.75994        -0.025381     -0.045389      0.153127
     18.78660     10.01872      9.67403        -0.146585     -0.130954     -0.060185
     19.34586     11.15399     10.23776         0.080706      0.208390      0.142751
     17.26073     11.42972      8.55278        -0.006971     -0.221555     -0.007647
     17.82474     12.57431      9.16724         0.034726      0.027219      0.035245
     18.95776     12.49014     10.06760        -0.096730     -0.272766     -0.157069
     19.75730     13.57677     10.79246         0.098863     -0.003684      0.065494
     21.05612     13.47246     11.43809        -0.034581      0.008026     -0.073406
      0.43696     14.59851     11.98845        -0.152424      0.216088     -0.095471
     19.24224     14.88450     10.88579         0.102843      0.216874      0.097857
     19.90442     16.01458     11.38687        -0.086719     -0.017442      0.045003
     21.16522     15.89083     11.98340        -0.053567      0.067909     -0.098130
      0.79215     12.31250     11.48700         0.046725     -0.031903      0.156087
     17.03984     13.82823      8.82575         0.291324     -0.171600     -0.055801
     20.35198      1.39150      6.15201        -0.108610     -0.137129     -0.059169
     19.76897      2.43323      5.42675        -0.061565     -0.199083     -0.075320
     19.75500      3.73572      5.88709        -0.210183      0.160695     -0.084369
     20.88307      1.63883      7.41238        -0.049147      0.025185      0.001232
     20.77257      2.93852      7.92533         0.027513     -0.036968      0.034980
     20.23613      4.02575      7.18491        -0.029329      0.077168      0.210449
     20.22717      0.13668      5.34575         0.251533     -0.276895      0.171089
     19.18822      1.86357      4.17188        -0.393131      0.288346     -0.609983
     20.26658      5.44039      7.69127        -0.060434      0.045603     -0.197302
     19.87096      6.49122      6.83748        -0.068555      0.115848     -0.150603
     20.17408      7.81423      7.14692        -0.013010      0.094561     -0.053617
     -0.49350      5.82608      8.95513         0.061730      0.202663      0.083551
     -0.12248      7.14790      9.24421        -0.153448      0.042091     -0.024168
     20.88164      8.13948      8.29474        -0.106575      0.115624     -0.107020
     -0.06154      9.59164      8.23680         0.640176      0.775134      0.691059
     19.90222      9.07483      6.38553        -0.176119     -0.074861     -0.117039
     20.38948     11.55041      6.74637         0.065683      0.078852      0.097628
     19.48602     11.97714      5.76076        -0.036582     -0.127326      0.081306
     19.21697     13.32978      5.58335        -0.096057      0.221311     -0.076568
     21.08396     12.59798      7.40476        -0.132133     -0.054243     -0.155636
     20.84948     13.97598      7.16615         0.097581     -0.105063     -0.094193
     19.83276     14.42952      6.23132         0.141657     -0.402145      0.043586
     19.34117     15.83972      5.95119        -0.108491      0.158230     -0.112245
     18.53893     16.30836      4.83969         0.013335      0.096310     -0.058639
     18.01291     17.61827      4.80488        -0.011784      0.252187      0.171830
     19.56430     16.86456      6.90111         0.040364     -0.116251      0.072414
     18.96872     18.12048      6.92850        -0.041144      0.167041      0.026704
     18.12275     18.52912      5.88514         0.008406     -0.022258      0.025654
     18.02827     15.46345      3.67026         0.124044      0.131796      0.003758
      0.60301     14.87078      7.89062        -0.214599     -0.168213     -0.236900
     12.73549      5.20702      4.04766        -0.055104      0.047705     -0.001718
     13.23504      3.79008     20.52593        -0.011108     -0.005247      0.057323
     12.93485      6.14342     21.07894         0.113945      0.064979     -0.068286
     12.88692      7.38814      4.41508        -0.038607     -0.004094      0.008426
     13.18007      7.90713      0.12017         0.060033      0.060151      0.106120
     13.55302     10.28616      0.38708         0.030196      0.026735      0.157386
     13.30412     13.40345      8.69123         0.039014      0.032676     -0.000735
     13.28192     11.55436      7.26332        -0.113843     -0.055673     -0.056685
     14.38443     14.08177      3.97896        -0.097971      0.006347     -0.031646
     12.91347     17.14025     11.48819        -0.025281      0.014343     -0.141482
     15.13926     17.37220      7.16146         0.061713     -0.065401     -0.024839
     15.03786     19.32231      8.46524         0.036784     -0.100839      0.139071
      9.76515      6.85853      3.15738        -0.031771      0.034658     -0.059206
      9.93008      3.53994      6.89527         0.065538      0.062881     -0.124338
     10.01074      5.91314      7.39121         0.192071      0.039938     -0.070906
     10.02272      8.91359      3.70265         0.066836     -0.024238     -0.094960
      9.88033      7.70747      7.86229         0.035512     -0.096896     -0.013705
      9.96263     10.03204      8.57671         0.092207     -0.033145     -0.123444
     12.09014     15.83763      2.38366        -0.001562      0.153243     -0.004727
     11.38117     13.69924      2.89136         0.070880      0.033217      0.069780
     10.22080     15.01450      6.79813         0.162481      0.034883     -0.057344
     13.39797     20.29097      1.22309        -0.186784     -0.106234     -0.054353
     11.58567     19.25014      5.59101         0.064207     -0.066854     -0.040175
     12.03725      0.18849      5.11746         0.015388     -0.031913     -0.202939
     10.33761      9.10533     17.41699         0.018838      0.049822     -0.024820
     10.50214      7.74050     12.61067        -0.059475      0.018920      0.073478
     10.31976     10.08862     13.18098         0.053498      0.090603      0.006793
     10.45112     11.38110     17.80582         0.025779      0.026896     -0.026324
     10.54797     11.88866     13.48238        -0.002394     -0.023049      0.100578
     10.78293     14.28133     13.73028         0.006928     -0.073944      0.151286
      9.38841     17.71144      0.34905        -0.021477      0.085183     -0.040587
      9.76359     15.81429     20.37065         0.016303      0.109573     -0.177274
     11.70316     18.18468     17.36478        -0.061594     -0.037519      0.027883
      8.78552      0.09309      3.25112         0.154508     -0.046604     -0.111761
     11.09613      0.58622     20.25085         0.008724      0.029202     -0.201649
     10.56599      2.51809      0.20220         0.033914      0.007792      0.084486
      6.94677     10.65145     15.84620         0.076652      0.095273     -0.074653
      7.41242      7.33588     19.56125         0.108112      0.036283     -0.076004
      7.46274      9.71466     20.05049         0.164599      0.031013     -0.018174
      7.23403     12.80064     16.43268        -0.039744     -0.003672     -0.059173
      7.26818     11.45419     20.56181         0.083102     -0.101212     -0.026997
      7.35318     13.73941      0.08346        -0.036321     -0.051259     -0.133751
      9.27323     19.86877     15.75473         0.007793      0.160835      0.116697
      8.63852     17.68689     16.12259         0.073553     -0.025601     -0.035984
      6.49314     18.87395     19.61992         0.129080      0.080873     -0.009945
     10.36132      2.95989     14.46952        -0.038464     -0.271791      0.132700
      8.16619      2.01651     18.71805         0.143271     -0.095725      0.025230
      9.07076      4.14671     18.36577        -0.122210      0.060198     -0.180465
      6.78714     12.96135      8.82410         0.040965     -0.025516      0.084419
      7.33399     11.46849      4.08320        -0.121883      0.002762      0.145255
      7.48082     13.81643      4.64367        -0.096881      0.055600     -0.038132
      6.96195     15.19258      9.19173         0.075277     -0.030634      0.066003
      7.60276     15.60253      4.92704        -0.166490     -0.023666      0.022012
      7.69496     18.00579      5.13175        -0.104617     -0.070272      0.141083
      6.72028      0.32284     13.04349        -0.128197      0.038556     -0.021378
      6.83388     19.67119     11.80168         0.027387     -0.084723     -0.135521
      8.61650      0.62702      8.59501        -0.065071      0.034422      0.141466
      6.20356      3.88109     15.87412         0.223723      0.150886     -0.260087
      8.48703      4.38762     11.58576        -0.134468     -0.095972     -0.006276
      8.11945      6.29704     12.89511        -0.002597      0.049520     -0.041760
      3.73224     14.37046      8.87098         0.185337      0.043377     -0.113213
      4.74383     11.38277     12.72477         0.099660     -0.025350     -0.143198
      4.75054     13.78902     13.03924         0.099779      0.025119     -0.093380
      3.75884     16.48133      9.16719         0.022879     -0.114825     -0.107762
      5.09764     15.66419     13.22386         0.033194     -0.149786      0.046870
      5.11142     18.04635     13.72816        -0.018661     -0.061085     -0.087406
      5.59833      2.35958      7.51724         0.128848      0.068106      0.021312
      4.78731      0.28895      7.95156         0.114239     -0.009267      0.056188
      3.70306      1.57838     11.87314         0.317013     -0.045778     -0.158982
      7.23449      6.43832      6.13454        -0.216986      0.110963      0.073335
      5.66644      5.87740     10.71341         0.171649     -0.130981     -0.140728
      6.11411      8.00849      9.98892         0.046622     -0.071193     -0.106845
      2.02894     16.32484      3.33073        -0.010807     -0.017418     -0.075488
      0.05929     14.74779     20.25160        -0.065687     -0.053112      0.173357
      0.24151     17.09199     20.69072        -0.024555     -0.006027      0.108262
      1.69685     18.73805      3.70465         0.037682     -0.025548     -0.002261
      0.19773     18.79472     20.87784        -0.021702     -0.026087      0.047539
     -0.11987     -0.08398     20.97831         0.013103      0.002991      0.048156
      2.56377      4.05055      6.93003         0.048526      0.089153     -0.058854
      2.31879      2.10336      5.83592         0.001763      0.031387     -0.237812
      0.28977      4.17826      2.67184        -0.087131      0.003636     -0.130021
      3.22676      7.69669      9.56873         0.026471     -0.021997     -0.136579
      1.67077      8.24573      4.96970         0.052295     -0.092824      0.068721
      2.42802     10.14677      6.17032         0.084916     -0.064696     -0.023565
      3.65748     17.04013     20.55659        -0.076720      0.002428      0.035039
      5.82020     13.89184      2.51561        -0.103549     -0.033348     -0.051018
      5.82636     16.24594      2.96050        -0.028060      0.047124      0.147603
      3.59545     19.39443      0.11048         0.023304      0.044188     -0.043708
      5.87072     17.89290      3.48599        -0.114240      0.024961     -0.000319
      6.18017     20.10903      4.33246        -0.180100      0.083146     -0.089302
      2.15434      5.66324      0.25168         0.014732      0.052638     -0.222366
      2.53635      3.38503      0.35266         0.124923     -0.009113     -0.091043
      5.26210      3.98875      3.61901        -0.176996      0.132809     -0.109435
      0.77931     10.21497      0.48513        -0.012385     -0.049852      0.094117
      4.73380      8.76881      2.86976         0.214696     -0.147578     -0.034931
      3.94111     10.92532      3.27922         0.151678      0.146665     -0.066053
     20.11986     19.49394     15.35125        -0.010242      0.008260      0.127082
     16.56371     17.90480     12.20335         0.098196      0.037081      0.124087
     17.11230     20.27911     12.33856        -0.060927      0.052431      0.058848
     20.41220      0.34086     15.51268        -0.062265     -0.014576      0.164137
     17.05321      0.86813     12.82659        -0.020916     -0.044940      0.016969
     17.06837      3.28449     13.23734         0.095101     -0.106015      0.045530
      2.26836      6.64240     17.99043        -0.194604      0.216131     -0.271987
      1.25097      4.73845     17.14866        -0.003629      0.002711      0.119597
     18.89368      6.93992     16.65391        -0.039561      0.086122     -0.064847
      4.61345     10.21050     19.83700        -0.009858      0.056501      0.107555
      0.05630     10.75904     18.20879        -0.132417     -0.059271     -0.051838
      1.12092     12.58974     19.15146         0.020485      0.096288     -0.039471
      0.69951     21.20061     12.98462         0.017113     -0.007830      0.079057
      3.42602     17.95542     15.66616        -0.124528      0.089158      0.058531
      3.56707     20.35336     16.16048        -0.106579      0.100694     -0.143691
      1.06381      2.00686     13.33035        -0.190301     -0.073010     -0.151533
      3.36418      0.96220     16.86146        -0.063040     -0.116738     -0.054722
      4.00043      3.28186     17.15973        -0.133009     -0.045338     -0.100441
     19.97258      8.90938     13.78703         0.048061      0.097638      0.046798
     20.92243      6.81902     13.48849        -0.056627      0.070277      0.147937
      3.38239      8.28272     14.99676        -0.151461     -0.025820      0.136727
     17.91371     13.12065     13.98021         0.172853     -0.142332     -0.118694
      1.33025     12.51248     15.23042        -0.050451     -0.031880      0.082070
      0.40916     14.62506     15.43311        -0.177212     -0.022686     -0.072629
     17.49711      2.45976      7.63075        -0.017044      0.011767      0.094231
     14.90895      1.01609      3.61315         0.202762      0.039620      0.014903
     14.98746      3.37365      4.22736        -0.000701      0.089889     -0.033577
     17.60198      4.72314      7.93294        -0.140631     -0.044136      0.237168
     14.87759      5.11073      4.59591         0.077786     -0.043568      0.001035
     14.92725      7.51553      4.79144         0.180624     -0.038441      0.040533
     20.17600     10.93959     10.87578        -0.032521      0.017527      0.092984
     19.21518      9.06316      9.96411        -0.209272     -0.012913     -0.031349
     16.41568     11.56023      7.88219         0.086712      0.069195      0.003261
      1.41603     14.47051     12.41994         0.057490     -0.002617      0.103982
     18.23582     15.07265     10.55144        -0.131152      0.022713     -0.052767
     19.40623     16.97731     11.28644         0.052879      0.013156      0.102672
     19.36820      4.49674      5.20822        -0.089577      0.034029      0.151149
      0.12546      0.84368      7.97147        -0.145211      0.078554      0.059178
     -0.08532      3.10613      8.92135        -0.017812      0.101519      0.087882
     19.37320      6.28530      5.89748        -0.068910     -0.011422      0.028698
     -0.32764      5.09076      9.73493         0.058838     -0.157149      0.056583
      0.37243      7.37395     10.18811        -0.060304      0.058745      0.086624
     18.40381     13.50345      4.89591         0.060757      0.059172      0.022655
     18.94765     11.26570      5.13676        -0.011545      0.020839      0.174226
      0.60558     12.32743      8.10555        -0.087998      0.007578     -0.003915
     17.39656     17.90074      3.95144         0.108569     -0.057380      0.147742
     20.21432     16.67624      7.73966        -0.091090     -0.106320      0.080656
     19.18302     18.76813      7.78164        -0.088943     -0.047517     -0.190587
     13.86454     19.28681     10.72718         0.081470     -0.146171     -0.026499
     19.26771     21.10488      3.45422        -0.001060      0.083129      0.074625
     12.86368      1.21460      2.65130        -0.021362      0.169415     -0.077240
     13.64509     11.52876      4.52599         0.029838     -0.071701     -0.249370
      9.54703      2.60984      2.78719         0.064266     -0.042174     -0.044818
     10.46856     12.77471      5.31525        -0.073668     -0.038988      0.166237
     10.15656      5.11536     15.96788         0.072757      0.174031     -0.419645
     10.80530     15.62952     17.81382         0.051603      0.042266     -0.270541
      7.05385      6.40318     15.44273         0.017630      0.201882     -0.107172
      7.28444     16.65266     18.22932        -0.074649     -0.065976      0.182430
      6.77921      8.89007      7.47261        -0.091173      0.183595     -0.083426
      7.52807     19.42225      9.14859         0.049516     -0.165543     -0.303745
      3.48538     10.17063      8.80228         0.008975      0.275606     -0.102390
      4.11457     20.52955     10.43983         0.033145      0.233814      0.149186
      1.73942     12.20447      1.92180         0.113110     -0.010071     -0.237962
      1.19959      1.69464      3.35243        -0.032544     -0.008221     -0.075374
      3.63770     12.73451     20.30130        -0.033931      0.097215      0.096730
      4.31749      1.95186      1.99108         0.231640     -0.113911      0.215300
     19.13316     15.43788     14.59569        -0.103865      0.133372     -0.061243
     20.01900      4.53473     16.05096        -0.199331     -0.108684     -0.032145
      0.61439     16.97909     12.61279         0.135097      0.120091      0.042680
      2.04957      5.94352     14.40219         0.152669      0.088278      0.144639
     17.42057     19.79612      5.91723         0.048324      0.183205     -0.029741
     17.22045      8.94659      8.08975        -0.109689      0.000439     -0.087775
     19.50819      0.49997      4.19891         0.045975      0.168517      0.125534
     20.55185     10.14911      7.06963         0.167237      0.055967      0.271264
     12.41741      2.32548      4.68766         0.006698      0.016146      0.127801
     13.68232      0.99797      0.42877        -0.158031      0.198088      0.214082
     13.21456      9.76218      6.04313         0.110890      0.087450     -0.301207
     13.94617     12.58704      2.41028        -0.113524     -0.563593      0.354981
      9.53453      4.43925      1.29585         0.029837      0.012233     -0.113433
      9.34053      1.46028      4.85167         0.251127      0.619731     -0.350195
     10.25972     11.78639      3.19131         0.014536      0.033629     -0.583330
     10.15367     12.94656      7.66564         0.088954     -0.226086     -0.356964
     10.07310      6.17040     18.06177         0.108748      0.241861     -0.562436
     10.87873      4.89929     13.70624        -0.087311     -0.049614     -0.082574
     10.65060     13.89845     19.41152         0.036080      0.059978     -0.259334
     11.07199     16.64008     15.68186        -0.129990     -0.503525      0.334711
      6.89851      8.23641     13.96770         0.096834      0.075862     -0.142340
      6.67267      5.29390     17.49195         0.329417      0.287325     -0.061555
      7.29498     15.77044     16.04532        -0.063566      0.035404     -0.333623
      7.07420     16.67307     20.58010         0.030953      0.064711      0.049857
      6.82565     10.03470      9.54395         0.010795      0.064940     -0.095102
      7.08401      8.65808      5.13284        -0.053524      0.234809      0.478210
      7.49566     17.70056     10.77300        -0.084589      0.138300     -0.520332
      7.64977     20.39796      6.99433        -0.149225     -0.404638      0.264173
      3.18323     11.95082      7.29070         0.185670     -0.079993      0.249303
      3.84065      9.12265     10.91593         0.073686      0.127256     -0.096055
      3.91265     19.41142      8.37840        -0.261291      0.077593     -2.002607
      4.31241     20.78170     12.77452        -0.003012      0.120790      0.194556
      2.92424     13.29442      3.66171        -0.570226      0.004686     -0.600366
      0.09873     12.04289      0.20118        -0.117806     -0.027514     -0.040327
      2.28449      0.19223      4.83298        -0.185204      0.026740     -0.329057
      0.05955      2.41632      1.40732         0.257819     -0.401003      0.240577
      2.98412     14.49776     18.88128         0.046596      0.069591      0.363188
      4.97222     11.66676      0.67516         0.022874      0.044095     -0.024355
      3.20132      1.14893      0.06930        -0.045507      0.039525     -0.063429
      5.82187      1.81707      3.83405        -0.383791     -0.195060     -0.458766
     -0.60280     16.63212     15.95352        -0.023950     -0.013777     -0.039096
     17.13912     15.11301     13.33994         0.258878      0.194780      0.105622
     -0.06833      2.77707     17.10758         0.141781     -0.009809      0.104056
     18.33125      5.56640     14.74401         0.276695     -0.286874      0.136329
     21.07212     18.80793     11.35686         0.237227     -0.164903      0.569204
      2.08171     15.79097     14.04569        -0.068992      0.358172     -0.032752
      0.52289      4.86908     12.97360        -1.750567      0.181151     -1.600300
      4.01694      6.10671     15.71735        -0.983536     -0.573397     -0.227589
     18.20000     20.75120      7.94685        -0.072956      0.082610     -0.150815
     15.99034     19.57577      4.04576         0.130152      0.129864      0.050698
     17.99366      7.23592      9.53820        -0.306485      0.135100     -0.412456
     16.18338      9.92529      6.20822         0.042203     -0.353923      0.244723
     18.53201      2.40375      3.28368         0.307160     -0.044615      0.438639
     20.64714     20.26479      5.56626        -0.019052      0.226546      0.084002
     19.22108      9.19230      5.38130        -0.164754     -0.024515     -0.104696
      0.64202     10.22750      9.02616        -0.804167     -0.729339     -0.876704
     14.02822     17.44546      5.37629        -0.054510     -0.075640      0.073308
     15.95367     16.47404      5.69580         0.234072     -0.049611      0.007170
     14.83059     16.13741      3.85709        -0.034233     -0.003963     -0.124344
     11.89536     15.35183     11.49546        -0.052575     -0.115290     -0.108389
     11.42818     14.53143      9.53459         0.008928     -0.082405     -0.044803
     13.21709     13.85680     10.64548         0.027011     -0.073614     -0.007949
     11.96280     17.94034      7.20546         0.083806      0.115886      0.074500
     10.01347     18.55886      6.44087        -0.193036     -0.005803      0.017896
     10.17546     16.82816      7.74576         0.141053      0.128398     -0.024524
     13.29459     18.54242      0.11474         0.153212     -0.084219      0.135749
     14.17813     17.12334      1.52024         0.121273     -0.078070      0.031253
     12.11152     16.89638      0.84786        -0.163023     -0.164902     -0.193740
     11.04789      0.31137     18.32605        -0.114505     -0.032891     -0.037114
     12.93229     -0.48330     19.07723         0.172746     -0.085392      0.190923
     12.14768     20.14130     17.14214         0.133241     -0.026935      0.038256
      8.47190     19.33490      3.46178        -0.067559     -0.051763     -0.322292
      7.71007     18.78224      1.46128        -0.154480     -0.202855     -0.062377
      9.57707     17.95258      2.24707         0.080257     -0.014608     -0.016348
      7.60004      0.85605     20.34553         0.170307      0.046400     -0.056942
      5.88580      1.01948     18.98740         0.059870      0.065130     -0.134561
      5.99884     20.66505     20.45376         0.077271      0.217701     -0.191217
     10.11835      1.27012     13.33744         0.260878     -0.135296      0.068792
     11.14833     -0.05458     14.76282         0.058389      0.030451     -0.056166
      9.14302     20.74162     14.02752         0.117825      0.132360      0.119447
      8.61466      4.00433      9.58016        -0.032768     -0.057096      0.044923
     10.24280      3.01257     10.65315         0.146359      0.025645      0.031412
      9.70255      2.39908      8.61478         0.167115     -0.030047      0.316603
      6.06802      1.90206     16.20874        -0.062312     -0.138461     -0.533755
      5.07369      1.26671     14.35427         0.131835      0.143113      0.234411
      7.03307      0.52143     14.85642         0.043164     -0.195228      0.188278
      4.88238      5.10518     12.13281        -0.125291     -0.182461     -0.089316
      2.94441      4.17147     11.73127        -0.039836     -0.119660      0.101497
      4.40055      3.22123     13.03368        -0.066935      0.051134     -0.022172
      7.21703      4.46520      5.30815         0.013384     -0.022021      0.360368
      7.44212      2.95085      6.86987         0.100152     -0.066941     -0.155920
      5.45909      3.46087      6.04955        -0.082202      0.054327     -0.032699
     -0.59023      7.24440      4.49072        -0.049027      0.055770      0.201959
      0.95767      7.39424      3.02818         0.049803     -0.069489      0.098902
     -0.74022      6.00649      2.73841         0.032957      0.013410      0.172133
      3.22470      5.71940      9.88649        -0.115078      0.062313     -0.119737
      1.79225      4.53587      8.81116        -0.226212     -0.227111     -0.038721
      3.80499      4.76241      8.00615        -0.173479      0.021710      0.088401
      6.13559      6.96618      3.55059         0.010698     -0.108411     -0.034931
      4.19318      7.54040      4.43956         0.022989      0.042350     -0.049602
      5.08558      5.71040      5.03929         0.017617      0.000574     -0.099196
      0.03067      8.63849     20.79563         0.246861     -0.505605      0.208160
      1.57936      7.18339     -0.99590         0.234825     -0.177700      0.052171
      0.28153      6.80272      0.67991        -0.064200      0.114968     -0.149625
     19.43847      9.40067     19.10857        -0.170674      0.023906     -0.086720
     19.70330     10.31953     17.13595         0.084965      0.064930     -0.133967
     18.23699      8.75461     17.38870        -0.063921     -0.036091      0.215657
      4.87652      8.18682     19.98312        -0.106864     -0.116701      0.015367
      3.76401      6.77789     18.82693        -0.024754     -0.334481      0.276169
      4.77402      8.36977     17.78434        -0.101609      0.025286     -0.225836
      3.33194     11.47212     14.30047        -0.069501      0.115636     -0.010136
      2.61002     11.56447     16.35057        -0.135931     -0.003258      0.207470
      4.03645     10.05017     15.79421        -0.181406      0.089282     -0.173042
     17.30339     11.28064     13.20760        -0.007604     -0.003780      0.205799
     18.83557      9.89229     12.61820         0.010066     -0.162769     -0.178352
     18.03135      9.80827     14.65382        -0.043492     -0.075985      0.110920
     16.22378     14.17359      9.87003        -0.176452      0.129533      0.069614
     17.78234     14.93527      8.52802         0.201898      0.060261     -0.033563
     16.25488     13.65173      7.73134        -0.021616      0.000014     -0.001491
      1.79651     12.53704     12.39727        -0.115062     -0.040452     -0.196877
      0.36768     11.05847     11.82795        -0.000444      0.003615      0.172865
      1.38660     12.19243     10.27846         0.119682      0.121628     -0.045833
      1.28247     15.67406      7.01890        -0.009995      0.126183     -0.160388
      0.09225     15.70198      8.85985        -0.048560     -0.040094     -0.000932
      1.53672     14.14589      8.55849         0.097976      0.085294     -0.185867
     17.45590     16.20152      2.67648         0.183459      0.013691      0.039608
     18.99510     14.71427      3.06085         0.185959      0.002832     -0.012954
     17.04290     14.58262      4.07404         0.101629     -0.011430     -0.189338
 -----------------------------------------------------------------------------------
    total drift:                                0.007951     -0.000599     -0.008715


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4571.4000902861 eV

  energy  without entropy=    -4571.5492075601  energy(sigma->0) =    -4571.44979604
 
 d Force = 0.2217224E-01[-0.430E-03, 0.448E-01]  d Energy = 0.2223272E-01-0.605E-04
 d Force = 0.2020991E+03[ 0.202E+03, 0.202E+03]  d Ewald  = 0.2020991E+03-0.367E-04


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   62(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3160
 total energy-change (2. order) : 0.1300122E+00  (-0.3616025E+02)
 number of electron    2497.9999970 magnetization 
 augmentation part      162.6751238 magnetization 

  free energy =  -0.457127008396E+04  energy without entropy=  -0.457141964765E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   62(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) :-0.7653895E+00  (-0.9280548E+00)
 number of electron    2497.9999969 magnetization 
 augmentation part      162.7346586 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8695
  0.8695

  free energy =  -0.457203547351E+04  energy without entropy=  -0.457218466565E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   62(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3696
 total energy-change (2. order) : 0.2863603E-01  (-0.1916960E-01)
 number of electron    2497.9999969 magnetization 
 augmentation part      162.6934261 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4184
  1.0870  1.7499

  free energy =  -0.457200683748E+04  energy without entropy=  -0.457215640221E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   62(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) :-0.4491170E-02  (-0.1627647E-01)
 number of electron    2497.9999969 magnetization 
 augmentation part      162.6612610 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2824
  2.1899  0.8287  0.8287

  free energy =  -0.457201132865E+04  energy without entropy=  -0.457216004016E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   62(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3664
 total energy-change (2. order) :-0.9750931E-03  (-0.3275509E-02)
 number of electron    2497.9999969 magnetization 
 augmentation part      162.6688987 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3296
  2.3866  1.0146  1.0146  0.9026

  free energy =  -0.457201230374E+04  energy without entropy=  -0.457216124969E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   62(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3504
 total energy-change (2. order) : 0.1439067E-02  (-0.1938020E-02)
 number of electron    2497.9999969 magnetization 
 augmentation part      162.6707497 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2690
  2.3810  0.9941  0.9941  0.9878  0.9878

  free energy =  -0.457201086467E+04  energy without entropy=  -0.457215961483E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   62(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3568
 total energy-change (2. order) :-0.5452070E-04  (-0.3038138E-03)
 number of electron    2497.9999969 magnetization 
 augmentation part      162.6744476 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2687
  2.4170  0.9897  0.9897  1.2198  1.2198  0.7761

  free energy =  -0.457201091920E+04  energy without entropy=  -0.457215990513E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   62(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3568
 total energy-change (2. order) : 0.6438035E-04  (-0.4809706E-04)
 number of electron    2497.9999969 magnetization 
 augmentation part      162.6763117 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2451
  2.4664  1.0469  1.0469  1.3383  1.2070  0.8049  0.8049

  free energy =  -0.457201085481E+04  energy without entropy=  -0.457215961320E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   62(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) :-0.1712854E-04  (-0.2413683E-04)
 number of electron    2497.9999969 magnetization 
 augmentation part      162.6748589 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2420
  2.5195  1.6782  1.0249  1.0249  1.1033  0.9519  0.9519  0.6809

  free energy =  -0.457201087194E+04  energy without entropy=  -0.457215972388E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   62(  10)  ---------------------------------------



 eigenvalue-minimisations  :  2696
 total energy-change (2. order) :-0.5939219E-05  (-0.2964027E-05)
 number of electron    2497.9999969 magnetization 
 augmentation part      162.6748589 magnetization 

  free energy =  -0.457201087788E+04  energy without entropy=  -0.457215964968E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0572       2 -56.1155       3 -56.0122       4 -55.8265       5 -55.8002
       6 -56.2778       7 -58.1645       8 -58.2238       9 -56.2461      10 -55.9249
      11 -56.0046      12 -55.7800      13 -55.8007      14 -55.9969      15 -58.0794
      16 -58.0638      17 -56.3693      18 -54.9898      19 -54.8861      20 -55.1066
      21 -55.6502      22 -55.6259      23 -55.6436      24 -55.6077      25 -54.9873
      26 -54.7454      27 -54.9180      28 -54.9368      29 -60.3770      30 -60.3636
      31 -55.6384      32 -55.7871      33 -55.6848      34 -55.3235      35 -55.4648
      36 -55.9628      37 -57.7944      38 -57.9935      39 -56.0569      40 -55.7559
      41 -55.8832      42 -55.6648      43 -55.7195      44 -55.8930      45 -58.0712
      46 -58.1120      47 -56.4523      48 -55.1166      49 -54.9406      50 -55.2664
      51 -55.8828      52 -55.8512      53 -55.7684      54 -55.7402      55 -55.0918
      56 -54.8579      57 -55.0109      58 -56.3836      59 -60.3623      60 -60.6141
      61 -55.9924      62 -56.0391      63 -55.9044      64 -55.7817      65 -55.7477
      66 -56.2384      67 -58.1203      68 -58.0997      69 -56.2196      70 -55.8805
      71 -55.9949      72 -55.7011      73 -55.6883      74 -55.9447      75 -58.0776
      76 -58.1002      77 -56.4278      78 -55.0967      79 -54.9407      80 -55.2340
      81 -55.8626      82 -55.8600      83 -55.8766      84 -55.9038      85 -55.2362
      86 -55.0322      87 -55.1950      88 -56.4290      89 -60.6782      90 -60.4423
      91 -55.6996      92 -55.8158      93 -55.7097      94 -55.4716      95 -55.5206
      96 -56.0373      97 -57.8558      98 -57.9856      99 -56.1629     100 -55.8691
     101 -56.0162     102 -55.6735     103 -55.7456     104 -55.9606     105 -58.1215
     106 -58.1890     107 -56.4715     108 -55.1482     109 -54.9902     110 -55.4071
     111 -55.9799     112 -55.9083     113 -55.7971     114 -55.8198     115 -55.0870
     116 -54.9334     117 -55.0326     118 -56.3628     119 -60.4577     120 -60.6256
     121 -55.9436     122 -55.9805     123 -55.8260     124 -55.7517     125 -55.7339
     126 -56.1542     127 -58.0637     128 -58.1707     129 -56.1011     130 -55.7451
     131 -55.8602     132 -55.6419     133 -55.5822     134 -55.7946     135 -57.9045
     136 -57.9973     137 -56.4079     138 -55.0592     139 -54.8745     140 -55.2776
     141 -55.8847     142 -55.8306     143 -55.8960     144 -55.8771     145 -55.1823
     146 -55.0887     147 -55.2004     148 -56.4231     149 -60.5479     150 -60.5712
     151 -55.6299     152 -55.6562     153 -55.4873     154 -55.3589     155 -55.4216
     156 -55.8796     157 -57.9333     158 -57.8565     159 -55.9932     160 -55.7298
     161 -55.8934     162 -55.5152     163 -55.5829     164 -55.7997     165 -57.9824
     166 -58.1030     167 -56.4506     168 -55.0572     169 -54.8455     170 -55.3138
     171 -55.9141     172 -55.8986     173 -55.8629     174 -55.7881     175 -55.3416
     176 -54.8747     177 -55.0557     178 -56.5093     179 -60.4746     180 -60.6181
     181 -55.9172     182 -56.0870     183 -55.9326     184 -55.6929     185 -55.6812
     186 -56.2411     187 -58.0421     188 -58.1867     189 -56.2371     190 -55.8420
     191 -55.9920     192 -55.7195     193 -55.7070     194 -55.9292     195 -58.0554
     196 -58.1647     197 -56.5231     198 -55.0928     199 -54.9482     200 -55.2891
     201 -55.8977     202 -55.9242     203 -55.9192     204 -55.8778     205 -55.1512
     206 -55.2332     207 -55.2027     208 -56.4759     209 -60.7412     210 -60.4972
     211 -55.9669     212 -56.0739     213 -55.9219     214 -55.7426     215 -55.6789
     216 -56.2249     217 -58.0998     218 -58.1800     219 -56.1083     220 -55.7797
     221 -55.8860     222 -55.5502     223 -55.4825     224 -55.7978     225 -57.9633
     226 -58.0745     227 -56.5420     228 -55.1155     229 -55.0169     230 -55.2929
     231 -55.7906     232 -55.8743     233 -55.8819     234 -55.7324     235 -54.9963
     236 -55.0998     237 -55.2044     238 -56.4617     239 -60.3835     240 -60.3743
     241 -55.9800     242 -56.0058     243 -55.8728     244 -55.7600     245 -55.7461
     246 -56.1823     247 -58.0772     248 -58.1394     249 -56.1686     250 -55.8415
     251 -55.9634     252 -55.7250     253 -55.7318     254 -55.9015     255 -57.9830
     256 -58.0653     257 -56.3579     258 -55.0619     259 -54.8444     260 -55.2246
     261 -55.8229     262 -55.8286     263 -55.9233     264 -55.9650     265 -55.3581
     266 -55.0004     267 -55.1974     268 -56.4436     269 -60.6368     270 -60.3651
     271 -55.9182     272 -55.9865     273 -55.8289     274 -55.7240     275 -55.6781
     276 -56.1065     277 -58.1048     278 -58.1547     279 -55.9623     280 -55.6554
     281 -55.7659     282 -55.5214     283 -55.5258     284 -55.8097     285 -58.0620
     286 -57.9886     287 -56.4321     288 -55.0398     289 -54.9372     290 -55.2628
     291 -55.8945     292 -55.8569     293 -55.8549     294 -55.8493     295 -55.2253
     296 -54.9636     297 -55.0711     298 -56.4505     299 -60.4714     300 -60.5968
     301 -55.8743     302 -56.0106     303 -55.8860     304 -55.6022     305 -55.6256
     306 -56.1354     307 -58.0490     308 -58.2173     309 -56.1408     310 -55.8018
     311 -55.9378     312 -55.6595     313 -55.6382     314 -55.8663     315 -57.9827
     316 -58.0432     317 -56.3975     318 -55.0002     319 -54.7785     320 -55.2518
     321 -55.7936     322 -55.7267     323 -55.8643     324 -55.8971     325 -55.2122
     326 -55.0704     327 -55.2376     328 -56.4527     329 -60.5904     330 -60.4275
     331 -55.7827     332 -55.8137     333 -55.6919     334 -55.6189     335 -55.5891
     336 -56.0443     337 -57.9430     338 -57.9366     339 -55.9128     340 -55.5736
     341 -55.7201     342 -55.5141     343 -55.5173     344 -55.7415     345 -57.9964
     346 -57.9344     347 -56.4814     348 -55.0251     349 -54.9601     350 -55.2840
     351 -55.8602     352 -55.8320     353 -55.7961     354 -55.7859     355 -55.2486
     356 -54.9193     357 -55.0278     358 -56.4680     359 -60.4792     360 -60.5747
     361 -39.1190     362 -38.8165     363 -38.9770     364 -39.0650     365 -38.9189
     366 -38.7315     367 -38.0908     368 -38.1346     369 -38.0719     370 -38.0954
     371 -38.1723     372 -38.1998     373 -38.7493     374 -38.2832     375 -38.6794
     376 -38.8263     377 -38.8418     378 -38.7212     379 -38.1662     380 -38.1345
     381 -38.2278     382 -38.0443     383 -38.2649     384 -38.0095     385 -38.8955
     386 -38.8139     387 -38.9037     388 -38.8600     389 -38.8095     390 -38.5164
     391 -38.2159     392 -38.2216     393 -38.1933     394 -38.1555     395 -38.2455
     396 -38.3464     397 -38.7348     398 -38.4157     399 -38.7277     400 -38.8715
     401 -38.7824     402 -38.7513     403 -38.2052     404 -38.1990     405 -38.4194
     406 -38.0990     407 -38.0949     408 -37.9137     409 -38.7780     410 -38.7539
     411 -38.9598     412 -38.7260     413 -38.8672     414 -38.6000     415 -38.2396
     416 -38.2802     417 -38.1754     418 -38.1114     419 -38.2021     420 -38.3621
     421 -38.5787     422 -38.3057     423 -38.5213     424 -38.7457     425 -38.5917
     426 -38.6311     427 -38.2332     428 -38.0988     429 -38.3203     430 -38.2695
     431 -38.0571     432 -38.0210     433 -38.8115     434 -38.7329     435 -38.9120
     436 -38.7152     437 -38.9333     438 -38.6552     439 -38.4630     440 -38.1376
     441 -38.2320     442 -38.2086     443 -38.2438     444 -38.1515     445 -38.8836
     446 -38.8409     447 -38.9267     448 -38.7256     449 -38.7430     450 -38.3567
     451 -38.1307     452 -37.9706     453 -38.1067     454 -38.0036     455 -38.1266
     456 -38.1860     457 -38.9372     458 -38.6773     459 -38.8826     460 -38.8944
     461 -38.8687     462 -38.6676     463 -38.1931     464 -38.3038     465 -38.1762
     466 -38.5354     467 -38.2165     468 -38.2600     469 -38.9019     470 -38.7115
     471 -38.7133     472 -38.8055     473 -38.5853     474 -38.4477     475 -38.2136
     476 -38.1069     477 -38.1900     478 -38.0938     479 -38.1817     480 -38.0232
     481 -38.8851     482 -38.7399     483 -38.8989     484 -38.8622     485 -38.9052
     486 -38.7478     487 -38.1847     488 -38.2212     489 -38.2403     490 -38.2978
     491 -38.2453     492 -38.3887     493 -38.8360     494 -38.5385     495 -38.6764
     496 -38.7301     497 -38.5468     498 -38.5331     499 -38.1922     500 -37.9809
     501 -38.2120     502 -38.1566     503 -38.1481     504 -37.9975     505 -38.2283
     506 -41.1584     507 -71.6948     508 -71.5746     509 -71.4039     510 -71.5908
     511 -71.5820     512 -71.5588     513 -71.4092     514 -71.6339     515 -71.5842
     516 -71.4420     517 -71.4136     518 -71.5103     519 -71.5575     520 -71.6463
     521 -71.5202     522 -71.4841     523 -71.5718     524 -71.5107     525 -71.6220
     526 -71.4581     527 -71.6200     528 -71.5062     529 -71.1969     530 -71.4520
     531 -76.8793     532 -76.7894     533 -76.7227     534 -76.6903     535 -76.6390
     536 -76.4783     537 -76.7974     538 -76.6946     539 -76.6391     540 -76.7343
     541 -76.7340     542 -76.6945     543 -76.6197     544 -76.5196     545 -76.8332
     546 -76.7415     547 -76.8108     548 -76.7273     549 -76.6304     550 -76.5557
     551 -76.5153     552 -76.5977     553 -76.7579     554 -76.6858     555 -76.7662
     556 -76.7754     557 -76.8045     558 -76.7004     559 -76.7803     560 -76.7785
     561 -76.6951     562 -76.6121     563 -76.8039     564 -76.6855     565 -76.7134
     566 -76.5952     567 -76.7973     568 -76.7397     569 -76.6698     570 -76.7381
     571 -76.8524     572 -76.7044     573 -76.6778     574 -76.6380     575 -76.5643
     576 -76.5599     577 -76.6313     578 -76.6996     579 -82.3104     580 -82.3363
     581 -82.3022     582 -82.3146     583 -82.2523     584 -82.2757     585 -82.5026
     586 -82.5320     587 -82.5684     588 -82.1650     589 -82.1459     590 -82.4070
     591 -82.3859     592 -82.2216     593 -82.3355     594 -82.6128     595 -82.5531
     596 -82.6850     597 -82.5218     598 -82.4653     599 -82.5722     600 -82.2603
     601 -82.2808     602 -82.3768     603 -82.4952     604 -82.3809     605 -82.5865
     606 -82.3176     607 -82.3798     608 -82.6317     609 -82.6691     610 -82.3313
     611 -82.5257     612 -82.4278     613 -82.3079     614 -82.3451     615 -82.4765
     616 -82.5044     617 -82.3656     618 -82.7322     619 -82.8004     620 -82.7108
     621 -82.2585     622 -82.4042     623 -82.3129     624 -82.2824     625 -82.4749
     626 -82.1438     627 -82.1659     628 -82.2716     629 -82.2779     630 -82.3232
     631 -82.7907     632 -82.3886     633 -82.4717     634 -82.5497     635 -82.5008
     636 -82.3098     637 -82.4469     638 -82.2820     639 -82.2787     640 -82.3726
     641 -82.3902     642 -82.3779     643 -82.5891     644 -82.4674     645 -82.4375
     646 -82.4578     647 -82.5956     648 -82.3681     649 -82.3842     650 -82.2966
 
 
 
 E-fermi :  -1.4593     XC(G=0):  -6.5015     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.2332      2.00000
      2     -28.9530      2.00000
      3     -28.9388      2.00000
      4     -28.9374      2.00000
      5     -28.9262      2.00000
      6     -28.9028      2.00000
      7     -28.8967      2.00000
      8     -28.8879      2.00000
      9     -28.8677      2.00000
     10     -28.8675      2.00000
     11     -28.8164      2.00000
     12     -28.7780      2.00000
     13     -28.7635      2.00000
     14     -28.7484      2.00000
     15     -28.7026      2.00000
     16     -28.6942      2.00000
     17     -28.6745      2.00000
     18     -28.6715      2.00000
     19     -28.6677      2.00000
     20     -28.6549      2.00000
     21     -28.6266      2.00000
     22     -28.6126      2.00000
     23     -28.5589      2.00000
     24     -28.5370      2.00000
     25     -26.9096      2.00000
     26     -26.8545      2.00000
     27     -26.6842      2.00000
     28     -26.6775      2.00000
     29     -26.6762      2.00000
     30     -26.6714      2.00000
     31     -26.6120      2.00000
     32     -26.6061      2.00000
     33     -26.6037      2.00000
     34     -26.6033      2.00000
     35     -26.5857      2.00000
     36     -26.5725      2.00000
     37     -26.5712      2.00000
     38     -26.5486      2.00000
     39     -26.5438      2.00000
     40     -26.5295      2.00000
     41     -26.5199      2.00000
     42     -26.5039      2.00000
     43     -26.4745      2.00000
     44     -26.4730      2.00000
     45     -26.4619      2.00000
     46     -26.4575      2.00000
     47     -26.4527      2.00000
     48     -26.4447      2.00000
     49     -26.4437      2.00000
     50     -26.4351      2.00000
     51     -26.4321      2.00000
     52     -26.4302      2.00000
     53     -26.4197      2.00000
     54     -26.4171      2.00000
     55     -26.3920      2.00000
     56     -26.3911      2.00000
     57     -26.3886      2.00000
     58     -26.3765      2.00000
     59     -26.3655      2.00000
     60     -26.3603      2.00000
     61     -26.3588      2.00000
     62     -26.3410      2.00000
     63     -26.3324      2.00000
     64     -26.3178      2.00000
     65     -26.3137      2.00000
     66     -26.3066      2.00000
     67     -26.3063      2.00000
     68     -26.2768      2.00000
     69     -26.2574      2.00000
     70     -26.2419      2.00000
     71     -26.1956      2.00000
     72     -26.1925      2.00000
     73     -23.2234      2.00000
     74     -23.1939      2.00000
     75     -23.1574      2.00000
     76     -23.1545      2.00000
     77     -23.1466      2.00000
     78     -23.1387      2.00000
     79     -23.1237      2.00000
     80     -23.1215      2.00000
     81     -23.1208      2.00000
     82     -23.1201      2.00000
     83     -23.0747      2.00000
     84     -23.0611      2.00000
     85     -23.0610      2.00000
     86     -23.0594      2.00000
     87     -23.0433      2.00000
     88     -23.0241      2.00000
     89     -23.0202      2.00000
     90     -22.9793      2.00000
     91     -22.9619      2.00000
     92     -22.9527      2.00000
     93     -22.9478      2.00000
     94     -22.9378      2.00000
     95     -22.9097      2.00000
     96     -22.8975      2.00000
     97     -22.7780      2.00000
     98     -22.7445      2.00000
     99     -22.7213      2.00000
    100     -22.7171      2.00000
    101     -22.7034      2.00000
    102     -22.7019      2.00000
    103     -22.6821      2.00000
    104     -22.6760      2.00000
    105     -22.6571      2.00000
    106     -22.6426      2.00000
    107     -22.6331      2.00000
    108     -22.6318      2.00000
    109     -22.6221      2.00000
    110     -22.6162      2.00000
    111     -22.6074      2.00000
    112     -22.5999      2.00000
    113     -22.5759      2.00000
    114     -22.5502      2.00000
    115     -22.5220      2.00000
    116     -22.4954      2.00000
    117     -22.4815      2.00000
    118     -22.4804      2.00000
    119     -22.4710      2.00000
    120     -22.4487      2.00000
    121     -20.4558      2.00000
    122     -20.3858      2.00000
    123     -20.3787      2.00000
    124     -20.3733      2.00000
    125     -20.3687      2.00000
    126     -20.3056      2.00000
    127     -20.3053      2.00000
    128     -20.2864      2.00000
    129     -20.2840      2.00000
    130     -20.2778      2.00000
    131     -20.2751      2.00000
    132     -20.2514      2.00000
    133     -20.2370      2.00000
    134     -20.2258      2.00000
    135     -20.2251      2.00000
    136     -20.2109      2.00000
    137     -20.2049      2.00000
    138     -20.1804      2.00000
    139     -20.1691      2.00000
    140     -20.1654      2.00000
    141     -20.1466      2.00000
    142     -20.1106      2.00000
    143     -20.0804      2.00000
    144     -20.0156      2.00000
    145     -18.7005      2.00000
    146     -18.5691      2.00000
    147     -18.5520      2.00000
    148     -18.5458      2.00000
    149     -18.5285      2.00000
    150     -18.4937      2.00000
    151     -18.4902      2.00000
    152     -18.4719      2.00000
    153     -18.4643      2.00000
    154     -18.4318      2.00000
    155     -18.4057      2.00000
    156     -18.3820      2.00000
    157     -18.3477      2.00000
    158     -18.2589      2.00000
    159     -18.2511      2.00000
    160     -18.2454      2.00000
    161     -18.2384      2.00000
    162     -18.2098      2.00000
    163     -18.1912      2.00000
    164     -18.1837      2.00000
    165     -18.1676      2.00000
    166     -18.1626      2.00000
    167     -18.1070      2.00000
    168     -18.0685      2.00000
    169     -17.9411      2.00000
    170     -17.9362      2.00000
    171     -17.9262      2.00000
    172     -17.8992      2.00000
    173     -17.8737      2.00000
    174     -17.8447      2.00000
    175     -17.8268      2.00000
    176     -17.8204      2.00000
    177     -17.7888      2.00000
    178     -17.7789      2.00000
    179     -17.7590      2.00000
    180     -17.7362      2.00000
    181     -17.6104      2.00000
    182     -17.5782      2.00000
    183     -17.5550      2.00000
    184     -17.5354      2.00000
    185     -17.5344      2.00000
    186     -17.5183      2.00000
    187     -17.5000      2.00000
    188     -17.4900      2.00000
    189     -17.4892      2.00000
    190     -17.4696      2.00000
    191     -17.4587      2.00000
    192     -17.4476      2.00000
    193     -16.7699      2.00000
    194     -16.7182      2.00000
    195     -16.7052      2.00000
    196     -16.6981      2.00000
    197     -16.6729      2.00000
    198     -16.6345      2.00000
    199     -16.6051      2.00000
    200     -16.5817      2.00000
    201     -16.5546      2.00000
    202     -16.5288      2.00000
    203     -16.5008      2.00000
    204     -16.4767      2.00000
    205     -16.1678      2.00000
    206     -16.1547      2.00000
    207     -16.1495      2.00000
    208     -16.1158      2.00000
    209     -16.0808      2.00000
    210     -16.0550      2.00000
    211     -16.0208      2.00000
    212     -15.9825      2.00000
    213     -15.9600      2.00000
    214     -15.9174      2.00000
    215     -15.8991      2.00000
    216     -15.7867      2.00000
    217     -15.7699      2.00000
    218     -15.6792      2.00000
    219     -15.6515      2.00000
    220     -15.6298      2.00000
    221     -15.6191      2.00000
    222     -15.6114      2.00000
    223     -15.6095      2.00000
    224     -15.5860      2.00000
    225     -15.5767      2.00000
    226     -15.5658      2.00000
    227     -15.5312      2.00000
    228     -15.4962      2.00000
    229     -15.4644      2.00000
    230     -15.4565      2.00000
    231     -15.4526      2.00000
    232     -15.4404      2.00000
    233     -15.4372      2.00000
    234     -15.4308      2.00000
    235     -15.4277      2.00000
    236     -15.4259      2.00000
    237     -15.4081      2.00000
    238     -15.3959      2.00000
    239     -15.3884      2.00000
    240     -15.3808      2.00000
    241     -15.3784      2.00000
    242     -15.3753      2.00000
    243     -15.3480      2.00000
    244     -15.3440      2.00000
    245     -15.3312      2.00000
    246     -15.3253      2.00000
    247     -15.3223      2.00000
    248     -15.2979      2.00000
    249     -15.2935      2.00000
    250     -15.2782      2.00000
    251     -15.2691      2.00000
    252     -15.2638      2.00000
    253     -15.2562      2.00000
    254     -15.2459      2.00000
    255     -15.2352      2.00000
    256     -15.2187      2.00000
    257     -15.2149      2.00000
    258     -15.2108      2.00000
    259     -15.2042      2.00000
    260     -15.1992      2.00000
    261     -15.1904      2.00000
    262     -15.1773      2.00000
    263     -15.1710      2.00000
    264     -15.1425      2.00000
    265     -15.1333      2.00000
    266     -15.1243      2.00000
    267     -15.1203      2.00000
    268     -15.1087      2.00000
    269     -15.0749      2.00000
    270     -15.0715      2.00000
    271     -15.0050      2.00000
    272     -15.0011      2.00000
    273     -14.9722      2.00000
    274     -14.9533      2.00000
    275     -14.9377      2.00000
    276     -14.8956      2.00000
    277     -14.6083      2.00000
    278     -14.5868      2.00000
    279     -14.5630      2.00000
    280     -14.5119      2.00000
    281     -14.4862      2.00000
    282     -14.4300      2.00000
    283     -14.3951      2.00000
    284     -14.3573      2.00000
    285     -14.3415      2.00000
    286     -14.3001      2.00000
    287     -14.2841      2.00000
    288     -14.2634      2.00000
    289     -13.6010      2.00000
    290     -13.5325      2.00000
    291     -13.5277      2.00000
    292     -13.4872      2.00000
    293     -13.4653      2.00000
    294     -13.4589      2.00000
    295     -13.4461      2.00000
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   1430       4.6232      0.00000
   1431       4.6443      0.00000
   1432       4.6697      0.00000
   1433       4.6886      0.00000
   1434       4.6952      0.00000
   1435       4.7661      0.00000
   1436       4.7782      0.00000
   1437       4.8088      0.00000
   1438       4.8210      0.00000
   1439       4.8368      0.00000
   1440       4.8460      0.00000
   1441       4.8714      0.00000
   1442       4.8799      0.00000
   1443       4.9200      0.00000
   1444       4.9388      0.00000
   1445       4.9483      0.00000
   1446       4.9519      0.00000
   1447       4.9733      0.00000
   1448       4.9846      0.00000
   1449       5.0039      0.00000
   1450       5.0070      0.00000
   1451       5.0341      0.00000
   1452       5.0553      0.00000
   1453       5.0565      0.00000
   1454       5.0866      0.00000
   1455       5.1059      0.00000
   1456       5.1098      0.00000
   1457       5.1221      0.00000
   1458       5.1312      0.00000
   1459       5.1360      0.00000
   1460       5.1457      0.00000
   1461       5.1752      0.00000
   1462       5.1998      0.00000
   1463       5.2103      0.00000
   1464       5.2366      0.00000
   1465       5.2438      0.00000
   1466       5.2443      0.00000
   1467       5.2614      0.00000
   1468       5.2718      0.00000
   1469       5.2759      0.00000
   1470       5.2901      0.00000
   1471       5.3016      0.00000
   1472       5.3152      0.00000
   1473       5.3347      0.00000
   1474       5.3394      0.00000
   1475       5.3506      0.00000
   1476       5.3579      0.00000
   1477       5.3613      0.00000
   1478       5.3701      0.00000
   1479       5.3827      0.00000
   1480       5.3864      0.00000
   1481       5.4019      0.00000
   1482       5.4089      0.00000
   1483       5.4180      0.00000
   1484       5.4298      0.00000
   1485       5.4364      0.00000
   1486       5.4391      0.00000
   1487       5.4579      0.00000
   1488       5.4717      0.00000
   1489       5.4755      0.00000
   1490       5.4817      0.00000
   1491       5.4923      0.00000
   1492       5.4983      0.00000
   1493       5.5092      0.00000
   1494       5.5113      0.00000
   1495       5.5273      0.00000
   1496       5.5329      0.00000
   1497       5.5395      0.00000
   1498       5.5480      0.00000
   1499       5.5584      0.00000
   1500       5.5605      0.00000
   1501       5.5718      0.00000
   1502       5.5818      0.00000
   1503       5.6035      0.00000
   1504       5.6105      0.00000
   1505       5.6159      0.00000
   1506       5.6268      0.00000
   1507       5.6335      0.00000
   1508       5.6488      0.00000
   1509       5.6579      0.00000
   1510       5.6617      0.00000
   1511       5.6690      0.00000
   1512       5.6727      0.00000
   1513       5.6814      0.00000
   1514       5.6981      0.00000
   1515       5.7120      0.00000
   1516       5.7248      0.00000
   1517       5.7352      0.00000
   1518       5.7418      0.00000
   1519       5.7556      0.00000
   1520       5.7589      0.00000
   1521       5.7763      0.00000
   1522       5.7823      0.00000
   1523       5.7961      0.00000
   1524       5.8004      0.00000
   1525       5.8072      0.00000
   1526       5.8246      0.00000
   1527       5.8274      0.00000
   1528       5.8358      0.00000
   1529       5.8454      0.00000
   1530       5.8583      0.00000
   1531       5.8795      0.00000
   1532       5.8908      0.00000
   1533       5.8971      0.00000
   1534       5.9070      0.00000
   1535       5.9177      0.00000
   1536       5.9215      0.00000
   1537       5.9244      0.00000
   1538       5.9299      0.00000
   1539       5.9466      0.00000
   1540       5.9590      0.00000
   1541       5.9703      0.00000
   1542       5.9750      0.00000
   1543       5.9876      0.00000
   1544       5.9916      0.00000
   1545       6.0081      0.00000
   1546       6.0094      0.00000
   1547       6.0271      0.00000
   1548       6.0327      0.00000
   1549       6.0373      0.00000
   1550       6.0454      0.00000
   1551       6.0553      0.00000
   1552       6.0614      0.00000
   1553       6.0672      0.00000
   1554       6.0841      0.00000
   1555       6.0918      0.00000
   1556       6.1017      0.00000
   1557       6.1143      0.00000
   1558       6.1160      0.00000
   1559       6.1342      0.00000
   1560       6.1358      0.00000
   1561       6.1480      0.00000
   1562       6.1519      0.00000
   1563       6.1766      0.00000
   1564       6.1797      0.00000
   1565       6.1875      0.00000
   1566       6.1919      0.00000
   1567       6.1984      0.00000
   1568       6.2092      0.00000
   1569       6.2193      0.00000
   1570       6.2301      0.00000
   1571       6.2323      0.00000
   1572       6.2417      0.00000
   1573       6.2468      0.00000
   1574       6.2492      0.00000
   1575       6.2639      0.00000
   1576       6.2653      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.089  13.414  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.414  17.833  -0.001   0.002  -0.000   0.002  -0.006   0.000
 -0.001  -0.001  -4.234   0.003   0.001   8.281  -0.005  -0.001
  0.001   0.002   0.003  -4.234   0.001  -0.005   8.280  -0.001
 -0.000  -0.000   0.001   0.001  -4.227  -0.001  -0.001   8.272
  0.002   0.002   8.281  -0.005  -0.001 -18.328   0.007   0.002
 -0.004  -0.006  -0.005   8.280  -0.001   0.007 -18.323  -0.000
  0.000   0.000  -0.001  -0.001   8.272   0.002  -0.000 -18.317
 total augmentation occupancy for first ion, spin component:           1
  8.449  -3.804   0.182   0.152  -0.043   0.023   0.028  -0.007
 -3.804   1.785  -0.091  -0.103   0.024  -0.010  -0.017   0.004
  0.182  -0.091   1.773  -0.063  -0.040   0.168  -0.012  -0.008
  0.152  -0.103  -0.063   1.903  -0.089  -0.012   0.178  -0.012
 -0.043   0.024  -0.040  -0.089   1.227  -0.008  -0.012   0.081
  0.023  -0.010   0.168  -0.012  -0.008   0.018  -0.002  -0.001
  0.028  -0.017  -0.012   0.178  -0.012  -0.002   0.018  -0.002
 -0.007   0.004  -0.008  -0.012   0.081  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -50656.55007 92473.01610 23529.86092-10768.89780  6545.75384 19993.09738
  Hartree  4988.92672119368.62396 61500.42771-11204.41592  4496.51242 14266.99641
  E(xc)  -10735.38169-10588.44278-10630.61041     2.90669     8.17877    32.92993
  Local   12236.22339************************ 21971.23733-11060.89299-33665.18461
  n-local -5846.20996 -5980.52421 -6034.18505     3.89624    16.91152   -64.06896
  augment  1493.98602  1535.33300  1486.92577     4.76338    12.45396    -3.55129
  Kinetic 45505.51704 43244.88364 43664.05598   -29.31130   -73.13835  -567.05546
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -105.6298430   -398.4777274   -152.5742932    -19.8213837    -54.2208187     -6.8365998
  in kB      -17.6146218    -66.4493506    -25.4429846     -3.3053744     -9.0417555     -1.1400577
  external PRESSURE =     -36.5023190 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.232E+03 -.109E+03 0.250E+03   0.232E+03 0.109E+03 -.251E+03   -.101E+00 -.795E+00 0.157E+01   0.938E-03 0.946E-05 0.331E-03
   -.189E+03 -.134E+03 0.606E+02   0.188E+03 0.135E+03 -.601E+02   0.417E+00 -.126E+01 -.303E+00   0.636E-03 -.180E-03 0.596E-03
   -.162E+03 -.125E+03 0.401E+01   0.162E+03 0.126E+03 -.234E+01   0.218E+00 -.122E+01 -.160E+01   0.721E-03 -.213E-03 0.673E-03
   -.218E+03 -.953E+02 0.339E+03   0.219E+03 0.953E+02 -.341E+03   -.290E+00 -.104E+00 0.257E+01   0.150E-02 -.189E-03 0.155E-03
   -.165E+03 -.147E+03 0.301E+03   0.165E+03 0.148E+03 -.302E+03   0.164E+00 -.772E+00 0.979E+00   0.128E-02 -.238E-03 0.241E-03
   -.146E+03 -.111E+03 0.167E+03   0.146E+03 0.111E+03 -.167E+03   0.125E+00 -.154E+00 0.508E-01   0.762E-03 -.274E-03 0.455E-03
   -.234E+03 -.130E+03 0.181E+03   0.233E+03 0.134E+03 -.182E+03   0.728E+00 -.458E+01 0.901E+00   0.548E-03 0.403E-03 0.250E-03
   -.183E+03 -.112E+03 0.342E+02   0.183E+03 0.116E+03 -.363E+02   -.452E+00 -.398E+01 0.202E+01   0.110E-03 -.180E-04 0.689E-03
   -.105E+03 0.426E+01 0.194E+03   0.105E+03 -.420E+01 -.194E+03   0.173E+00 0.105E+00 0.267E-01   0.359E-03 -.283E-03 0.374E-03
   -.824E+02 0.866E+02 0.619E+02   0.819E+02 -.881E+02 -.607E+02   0.486E+00 0.145E+01 -.120E+01   0.271E-03 -.572E-03 0.119E-02
   -.925E+02 0.104E+03 0.136E+03   0.923E+02 -.105E+03 -.136E+03   0.132E+00 0.106E+01 0.845E-01   -.236E-03 -.117E-02 0.109E-02
   -.106E+03 -.226E+01 0.331E+03   0.106E+03 0.196E+01 -.332E+03   -.164E+00 0.347E+00 0.102E+01   0.139E-05 -.350E-04 -.472E-03
   -.111E+03 -.437E+02 0.361E+03   0.111E+03 0.447E+02 -.363E+03   -.807E-01 -.982E+00 0.229E+01   -.683E-03 -.581E-03 -.992E-03
   -.115E+03 0.201E+02 0.305E+03   0.115E+03 -.202E+02 -.307E+03   -.174E+00 0.577E-01 0.163E+01   -.782E-03 -.145E-02 -.916E-04
   -.105E+03 0.107E+03 0.269E+03   0.104E+03 -.111E+03 -.272E+03   0.663E+00 0.403E+01 0.230E+01   -.131E-02 -.210E-02 0.418E-03
   -.890E+02 0.116E+03 0.105E+03   0.890E+02 -.119E+03 -.108E+03   0.136E-01 0.293E+01 0.347E+01   -.345E-03 -.208E-02 0.234E-02
   -.719E+02 0.112E+03 0.542E+02   0.723E+02 -.107E+03 -.501E+02   -.372E+00 -.468E+01 -.437E+01   -.812E-03 -.173E-02 0.136E-02
   -.608E+01 0.205E+03 -.150E+03   0.554E+01 -.207E+03 0.152E+03   0.580E+00 0.192E+01 -.207E+01   -.208E-03 -.226E-02 0.107E-02
   0.296E+02 0.150E+03 -.198E+03   -.298E+02 -.151E+03 0.200E+03   0.173E+00 0.178E+00 -.176E+01   -.108E-03 -.130E-02 0.576E-03
   -.682E+02 0.112E+03 0.181E+03   0.693E+02 -.111E+03 -.184E+03   -.108E+01 -.898E+00 0.321E+01   -.143E-02 -.104E-02 0.127E-02
   0.870E+00 0.702E+02 -.256E-01   -.209E+01 -.718E+02 0.139E+01   0.121E+01 0.145E+01 -.116E+01   -.130E-02 -.117E-03 0.109E-02
   0.666E+01 0.127E+02 -.129E+03   -.667E+01 -.130E+02 0.130E+03   0.116E-01 0.434E-01 -.908E+00   -.854E-03 -.492E-04 0.987E-03
   -.333E+02 -.332E+02 -.176E+03   0.337E+02 0.335E+02 0.175E+03   -.432E+00 -.343E+00 0.642E+00   -.854E-03 0.107E-02 0.112E-02
   -.416E+02 -.720E+02 -.232E+03   0.427E+02 0.737E+02 0.231E+03   -.122E+01 -.169E+01 0.120E+01   -.824E-03 0.173E-02 0.113E-02
   -.231E+02 -.157E+03 -.340E+03   0.226E+02 0.158E+03 0.342E+03   0.506E+00 -.582E+00 -.189E+01   -.126E-02 0.207E-02 0.160E-02
   -.106E+03 -.163E+03 -.159E+03   0.107E+03 0.164E+03 0.157E+03   -.101E+01 -.300E+00 0.168E+01   -.762E-03 0.148E-02 0.160E-02
   -.923E+02 -.282E+03 -.192E+03   0.926E+02 0.283E+03 0.192E+03   -.281E+00 -.894E+00 0.311E+00   -.159E-03 0.200E-02 0.173E-02
   -.419E+02 -.264E+03 -.292E+03   0.418E+02 0.265E+03 0.293E+03   0.103E+00 -.122E+01 -.516E+00   -.576E-03 0.191E-02 0.180E-02
   -.477E+02 -.216E+02 -.218E+03   0.536E+02 0.293E+02 0.213E+03   -.597E+01 -.776E+01 0.507E+01   -.453E-03 0.152E-02 0.108E-02
   -.157E+01 0.524E+02 0.241E+02   -.353E+01 -.610E+02 -.193E+02   0.499E+01 0.858E+01 -.473E+01   -.141E-02 0.402E-03 0.239E-02
   -.207E+03 -.261E+02 -.434E+02   0.207E+03 0.263E+02 0.449E+02   -.354E+00 -.160E+00 -.173E+01   -.892E-03 -.520E-03 0.401E-03
   -.139E+03 -.147E+03 0.138E+03   0.139E+03 0.148E+03 -.138E+03   0.741E-01 -.136E+01 -.189E+00   -.630E-03 -.307E-03 0.103E-02
   -.149E+03 -.156E+03 0.187E+03   0.149E+03 0.157E+03 -.188E+03   0.137E+00 -.170E+01 0.998E+00   -.746E-03 0.153E-03 0.787E-03
   -.303E+03 0.898E+01 -.167E+03   0.302E+03 -.107E+02 0.170E+03   0.172E+00 0.166E+01 -.276E+01   -.623E-03 -.405E-03 -.886E-03
   -.294E+03 -.657E+02 -.186E+03   0.294E+03 0.658E+02 0.187E+03   -.882E-01 -.122E+00 -.114E+01   -.135E-03 0.490E-03 -.696E-03
   -.214E+03 -.724E+02 0.321E+01   0.214E+03 0.724E+02 -.318E+01   0.350E+00 0.102E+00 0.201E-01   -.418E-03 0.349E-03 0.299E-03
   -.120E+03 -.542E+02 -.872E+01   0.121E+03 0.583E+02 0.114E+02   -.999E+00 -.404E+01 -.262E+01   -.111E-02 -.478E-03 0.824E-03
   -.748E+02 -.142E+03 0.114E+03   0.751E+02 0.145E+03 -.110E+03   -.306E+00 -.310E+01 -.357E+01   -.342E-03 -.458E-03 0.147E-02
   -.190E+03 0.477E+02 -.195E+01   0.190E+03 -.480E+02 0.185E+01   0.114E+00 0.328E+00 0.733E-01   -.142E-03 0.820E-04 0.358E-03
   -.107E+03 0.546E+02 0.203E+03   0.107E+03 -.557E+02 -.205E+03   0.302E+00 0.120E+01 0.172E+01   -.723E-03 -.369E-03 0.523E-03
   -.784E+02 0.781E+02 0.113E+03   0.785E+02 -.795E+02 -.113E+03   -.227E-01 0.142E+01 0.347E+00   -.620E-03 -.126E-02 0.301E-03
   -.224E+03 0.894E+02 -.223E+03   0.224E+03 -.903E+02 0.224E+03   -.115E+00 0.931E+00 -.746E+00   0.522E-03 -.106E-04 -.260E-03
   -.185E+03 0.433E+02 -.299E+03   0.185E+03 -.434E+02 0.301E+03   0.221E+00 0.287E+00 -.228E+01   0.500E-03 -.107E-02 -.280E-03
   -.117E+03 0.584E+02 -.156E+03   0.117E+03 -.593E+02 0.157E+03   -.324E+00 0.966E+00 -.140E+01   -.188E-03 -.168E-02 -.109E-04
   -.642E+02 0.101E+03 -.940E+02   0.642E+02 -.106E+03 0.950E+02   0.316E-01 0.482E+01 -.527E+00   -.521E-03 -.201E-02 -.478E-03
   -.294E+02 0.846E+02 0.132E+03   0.291E+02 -.890E+02 -.130E+03   0.285E+00 0.439E+01 -.204E+01   -.892E-03 -.158E-02 -.391E-03
   0.207E+02 0.518E+02 0.999E+02   -.192E+02 -.462E+02 -.102E+03   -.169E+01 -.561E+01 0.203E+01   -.534E-03 -.498E-03 0.181E-03
   -.143E+02 0.134E+03 0.271E+03   0.153E+02 -.135E+03 -.273E+03   -.985E+00 0.113E+01 0.250E+01   -.721E-03 -.358E-03 -.290E-04
   -.395E+02 0.122E+03 0.233E+03   0.404E+02 -.122E+03 -.235E+03   -.848E+00 -.429E+00 0.202E+01   -.114E-02 0.293E-03 0.926E-04
   0.465E+02 0.737E+02 -.442E+02   -.477E+02 -.739E+02 0.472E+02   0.115E+01 0.987E-01 -.302E+01   -.631E-03 0.567E-03 0.412E-03
   0.715E+01 0.277E+02 0.348E+02   -.680E+01 -.287E+02 -.368E+02   -.484E+00 0.927E+00 0.214E+01   -.736E-03 0.134E-02 0.923E-03
   -.188E+02 0.160E+02 0.904E+02   0.193E+02 -.159E+02 -.912E+02   -.540E+00 -.375E+00 0.945E+00   -.923E-03 0.127E-02 0.496E-03
   -.769E+02 0.845E+00 0.425E+02   0.768E+02 -.833E+00 -.420E+02   0.274E+00 0.116E+00 -.658E+00   -.123E-02 0.172E-02 0.581E-03
   -.153E+03 -.130E+02 0.910E+02   0.152E+03 0.137E+02 -.893E+02   0.826E+00 -.744E+00 -.167E+01   -.152E-02 0.160E-02 0.633E-03
   -.242E+03 -.710E+02 0.162E+03   0.243E+03 0.710E+02 -.165E+03   -.138E+01 -.273E-01 0.319E+01   -.114E-02 0.122E-02 0.760E-03
   -.841E+02 -.109E+03 -.115E+03   0.837E+02 0.108E+03 0.117E+03   0.316E+00 0.576E+00 -.186E+01   -.138E-02 0.162E-02 0.960E-03
   -.112E+03 -.121E+03 -.161E+03   0.112E+03 0.122E+03 0.164E+03   0.661E+00 -.111E+01 -.283E+01   -.130E-02 0.103E-02 0.107E-02
   -.176E+03 -.524E+02 0.258E+02   0.175E+03 0.463E+02 -.239E+02   0.138E+01 0.615E+01 -.208E+01   -.819E-03 0.871E-03 0.814E-03
   -.192E+03 0.156E+02 0.138E+03   0.189E+03 -.929E+01 -.129E+03   0.305E+01 -.599E+01 -.828E+01   -.145E-02 0.112E-02 0.332E-03
   -.457E+02 -.218E+01 -.404E+02   0.471E+02 -.427E+01 0.313E+02   -.147E+01 0.634E+01 0.887E+01   -.950E-03 0.233E-02 0.837E-03
   -.353E+03 -.744E+02 0.844E+02   0.353E+03 0.750E+02 -.856E+02   -.247E-01 -.938E+00 0.146E+01   -.268E-03 0.176E-02 0.180E-02
   -.354E+03 -.101E+03 -.862E+02   0.353E+03 0.102E+03 0.868E+02   0.273E+00 -.152E+01 -.372E+00   -.103E-03 0.139E-02 0.476E-03
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   0.560E+03 -.188E+03 0.130E+03   -.590E+03 0.219E+03 -.983E+02   0.297E+02 -.310E+02 -.314E+02   0.792E-04 0.651E-03 -.370E-03
   0.170E+03 -.265E+03 0.234E+03   -.139E+03 0.300E+03 -.259E+03   -.309E+02 -.348E+02 0.254E+02   0.162E-02 0.129E-02 -.181E-02
   0.781E+03 0.175E+03 0.492E+03   -.817E+03 -.193E+03 -.528E+03   0.364E+02 0.178E+02 0.362E+02   -.136E-02 -.711E-03 -.179E-02
   0.972E+02 -.147E+03 -.407E+03   -.803E+02 0.158E+03 0.458E+03   -.169E+02 -.103E+02 -.514E+02   0.551E-02 0.380E-02 -.190E-02
   0.531E+03 0.413E+03 -.212E+03   -.570E+03 -.448E+03 0.220E+03   0.386E+02 0.345E+02 -.800E+01   0.271E-02 0.300E-02 -.413E-02
   -.658E+02 0.217E+03 0.108E+03   0.106E+03 -.241E+03 -.132E+03   -.401E+02 0.244E+02 0.232E+02   0.452E-02 0.174E-02 -.758E-03
   -.545E+03 -.214E+03 0.468E+03   0.593E+03 0.232E+03 -.482E+03   -.480E+02 -.183E+02 0.141E+02   0.468E-03 0.140E-02 0.128E-02
   0.620E+02 -.388E+03 0.516E+02   -.901E+02 0.429E+03 -.310E+02   0.280E+02 -.405E+02 -.206E+02   0.260E-02 0.891E-03 -.113E-03
   -.707E+02 0.771E+02 -.130E+02   0.763E+02 -.107E+03 0.560E+02   -.560E+01 0.304E+02 -.433E+02   0.158E-02 0.410E-03 -.999E-04
   0.770E+03 -.179E+03 0.592E+02   -.809E+03 0.210E+03 -.797E+02   0.388E+02 -.316E+02 0.207E+02   -.124E-02 0.214E-02 -.554E-02
   0.183E+03 0.345E+03 0.198E+03   -.160E+03 -.368E+03 -.238E+03   -.223E+02 0.231E+02 0.406E+02   0.733E-03 0.214E-03 -.683E-02
   0.678E+03 0.341E+03 0.142E+03   -.706E+03 -.378E+03 -.119E+03   0.285E+02 0.380E+02 -.241E+02   -.611E-03 0.817E-03 -.486E-02
   0.678E+03 -.131E+03 -.423E+03   -.680E+03 0.142E+03 0.475E+03   0.217E+01 -.106E+02 -.524E+02   0.383E-02 0.782E-03 -.114E-02
   0.508E+03 -.417E+03 -.764E+02   -.502E+03 0.462E+03 0.514E+02   -.575E+01 -.445E+02 0.249E+02   0.434E-02 0.379E-03 -.563E-03
   0.938E+03 0.142E+03 -.891E+02   -.987E+03 -.154E+03 0.751E+02   0.497E+02 0.126E+02 0.142E+02   0.373E-02 -.141E-02 -.211E-03
   -.429E+03 0.361E+02 -.377E+03   0.460E+03 -.344E+02 0.418E+03   -.307E+02 -.169E+01 -.403E+02   -.336E-02 0.744E-03 -.532E-02
   0.152E+00 0.511E+03 -.843E+02   -.804E+01 -.565E+03 0.834E+02   0.787E+01 0.542E+02 0.111E+01   -.293E-02 0.252E-03 -.376E-02
   -.243E+03 -.924E+02 0.174E+03   0.271E+03 0.103E+03 -.217E+03   -.279E+02 -.103E+02 0.430E+02   -.355E-02 -.148E-03 -.933E-03
   -.297E+03 -.315E+03 0.867E+02   0.312E+03 0.344E+03 -.127E+03   -.146E+02 -.292E+02 0.399E+02   -.475E-03 -.329E-02 -.214E-03
   0.716E+02 -.468E+03 -.293E+03   -.825E+02 0.501E+03 0.334E+03   0.108E+02 -.332E+02 -.410E+02   -.113E-02 -.448E-02 0.952E-03
   -.409E+03 -.490E+02 -.358E+02   0.453E+03 0.250E+02 0.534E+02   -.438E+02 0.241E+02 -.178E+02   -.555E-03 -.194E-02 0.323E-03
   0.860E+03 -.598E+02 -.176E+03   -.905E+03 0.825E+02 0.157E+03   0.447E+02 -.227E+02 0.186E+02   0.580E-03 -.231E-02 0.613E-03
   0.454E+03 0.396E+03 0.338E+02   -.440E+03 -.425E+03 -.756E+02   -.137E+02 0.288E+02 0.417E+02   0.171E-02 0.541E-03 0.110E-02
   0.728E+03 0.291E+03 -.418E+03   -.745E+03 -.324E+03 0.457E+03   0.163E+02 0.328E+02 -.390E+02   0.242E-02 0.195E-03 0.699E-03
   0.386E+03 -.570E+02 -.621E+03   -.418E+03 0.694E+02 0.660E+03   0.317E+02 -.123E+02 -.399E+02   0.116E-03 -.148E-02 0.138E-02
   0.907E+00 -.397E+03 -.913E+02   0.273E+02 0.440E+03 0.784E+02   -.281E+02 -.427E+02 0.128E+02   -.254E-02 -.596E-03 0.580E-02
   0.242E+03 0.158E+03 0.135E+03   -.273E+03 -.164E+03 -.179E+03   0.312E+02 0.563E+01 0.439E+02   -.150E-02 -.330E-02 0.336E-02
   -.231E+03 -.178E+03 -.391E+03   0.270E+03 0.184E+03 0.426E+03   -.389E+02 -.653E+01 -.352E+02   -.689E-03 -.376E-02 0.129E-02
   0.244E+03 0.346E+03 -.227E+03   -.257E+03 -.395E+03 0.242E+03   0.134E+02 0.490E+02 -.143E+02   0.851E-03 -.248E-02 0.371E-02
   -.652E+02 -.703E+02 0.134E+03   0.880E+02 0.654E+02 -.183E+03   -.227E+02 0.502E+01 0.484E+02   0.307E-02 -.308E-02 0.217E-02
   -.240E+03 -.409E+03 0.404E+03   0.266E+03 0.440E+03 -.438E+03   -.261E+02 -.310E+02 0.339E+02   0.500E-02 -.487E-02 -.155E-02
   0.144E+03 -.483E+03 -.166E+03   -.162E+03 0.512E+03 0.204E+03   0.179E+02 -.297E+02 -.377E+02   0.168E-02 -.198E-02 0.500E-02
   -.255E+03 -.108E+03 0.233E+02   0.292E+03 0.795E+02 0.316E+01   -.375E+02 0.286E+02 -.267E+02   0.526E-02 -.414E-02 0.191E-02
   0.481E+02 -.194E+03 0.820E+03   -.711E+02 0.222E+03 -.860E+03   0.232E+02 -.278E+02 0.404E+02   0.277E-02 0.773E-03 -.407E-02
   -.157E+03 0.201E+03 0.585E+03   0.194E+03 -.230E+03 -.609E+03   -.373E+02 0.286E+02 0.239E+02   0.527E-02 -.197E-02 -.617E-02
   0.158E+03 0.390E+03 0.351E+03   -.196E+03 -.421E+03 -.338E+03   0.377E+02 0.310E+02 -.135E+02   -.257E-03 -.185E-02 -.797E-03
 -----------------------------------------------------------------------------------------------
   0.179E+02 -.888E+01 -.185E+02   0.711E-11 0.284E-11 0.716E-11   -.178E+02 0.891E+01 0.183E+02   -.704E-01 -.337E-01 0.169E+00
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.09082      3.16683      1.34064         0.018640     -0.235130      0.087394
     12.86458      3.58668      2.64653         0.062231     -0.245822      0.119555
     12.84442      4.93933      2.99185        -0.049133      0.012513      0.070075
     13.13334      4.09633      0.30818         0.031224     -0.172826      0.008537
     13.00158      5.44092      0.64375         0.042302      0.085897     -0.102001
     12.94795      5.92092      1.97437         0.007669     -0.021595     -0.051254
     13.24739      1.68443      1.33987         0.161393     -0.330588     -0.329870
     12.67777      2.35703      3.49502         0.031489      0.194515     -0.016938
     13.05488      7.39665      2.22985         0.046478      0.158084     -0.083237
     13.06927      7.98017      3.51899        -0.031729     -0.021082      0.004037
     13.31809      9.34701      3.66127        -0.054378      0.059626      0.121765
     13.22595      8.29247      1.14346        -0.030005      0.049493     -0.230210
     13.44502      9.66700      1.28472         0.017124      0.013130      0.006339
     13.51655     10.19099      2.57606        -0.037334      0.012390      0.073118
     13.73750     11.57820      3.08678         0.178664      0.518738     -0.197435
     13.38606     10.16890      4.90995        -0.011361     -0.088708      0.064337
     13.73438     12.64225      5.45142         0.062648     -0.121151     -0.270120
     13.46872     12.51605      6.82099         0.039175      0.164820     -0.024530
     13.49620     13.63039      7.66108        -0.007734      0.062467      0.130270
     14.08758     13.93165      5.01934        -0.034500     -0.092702      0.160528
     14.11769     15.04490      5.88176        -0.012326     -0.107572      0.202450
     13.81104     14.95585      7.29117         0.004117     -0.230641     -0.114043
     13.87848     16.06381      8.34647        -0.091314     -0.105933      0.056877
     13.27102     16.06573      9.65724        -0.052909     -0.033688      0.093715
     13.35372     17.19551     10.49511        -0.064580      0.001089     -0.035589
     14.57714     17.25953      8.07333         0.035659     -0.153221     -0.035658
     14.56880     18.40431      8.85962         0.030815     -0.014071      0.079559
     13.93447     18.39196     10.09147         0.009090      0.029319      0.021796
     12.46169     14.95536     10.30599        -0.095229     -0.009599      0.009361
     14.69777     16.26158      5.20524        -0.111320     -0.036184      0.024633
      9.77638      3.85272      4.75943         0.017390     -0.004359     -0.209862
      9.72746      4.78099      3.72177         0.013570     -0.198244     -0.040401
      9.80729      6.15641      3.98422        -0.060119     -0.056608     -0.110770
      9.93411      4.26263      6.07541         0.089353     -0.070179     -0.034875
     10.00027      5.62674      6.33367         0.016863     -0.008374      0.052172
      9.93913      6.61569      5.32110         0.034940      0.004492      0.054734
      9.54233      2.48934      4.22078         0.058771      0.017976      0.062881
      9.59107      4.00209      2.42946         0.016567      0.167723      0.139931
     10.01337      8.06659      5.71105         0.026218      0.027576     -0.021125
     10.08056      9.11504      4.76433         0.023552      0.115553     -0.113414
     10.20383     10.43491      5.19440         0.018986     -0.013803      0.028247
      9.99715      8.45740      7.07384        -0.000752      0.012332      0.077399
     10.05404      9.78710      7.50630         0.103675      0.166290     -0.028110
     10.19650     10.78325      6.54244        -0.005735      0.061028     -0.077323
     10.27882     12.26787      6.64913        -0.053916      0.455056      0.489069
     10.31925     11.68815      4.39721        -0.084232     -0.015647      0.043392
     10.76150     14.13472      4.92359        -0.166517      0.054815      0.140198
     11.26256     14.46094      3.65997        -0.018920     -0.071002      0.027107
     11.64553     15.76604      3.35771         0.047756      0.148492      0.016928
     10.62394     15.21988      5.80615         0.025348     -0.060623     -0.057314
     10.99986     16.54633      5.48779        -0.134119     -0.051486      0.057193
     11.55334     16.90698      4.19123        -0.052235     -0.253133      0.104554
     12.01728     18.28944      3.70600         0.218995      0.130000     -0.157220
     12.59714     18.69246      2.42978         0.089380      0.044821     -0.036576
     12.90786     20.04234      2.15805         0.077653     -0.000829      0.182734
     11.92802     19.38962      4.58556        -0.047905      0.012278     -0.103567
     12.20495     20.72751      4.31682        -0.040168      0.078581     -0.033052
     12.66000     21.10027      3.04996         0.109052      0.073567     -0.162088
     13.04432     17.81029      1.24980         0.055619      0.277347      0.174047
     10.79353     17.46333      6.69629        -0.049527     -0.110104     -0.237566
     10.44494      7.08801     14.68208         0.023235     -0.376217      0.184252
     10.34706      7.50029     16.00643         0.073498     -0.344984      0.203343
     10.38397      8.85144     16.36089        -0.013990      0.295832      0.102789
     10.45510      8.03327     13.66858         0.108880      0.151774     -0.046035
     10.38832      9.38881     14.02078         0.140871     -0.077627     -0.142071
     10.41630      9.86756     15.35553         0.039503     -0.177829      0.069973
     10.51476      5.59384     14.64814         0.287539     -0.690076     -0.514348
     10.18746      6.24837     16.84436        -0.038686     -0.076313      1.322309
     10.49433     11.36628     15.61467         0.081529      0.163372     -0.013329
     10.53861     11.98063     16.90023         0.074679     -0.045698      0.070644
     10.67447     13.37622     17.02259         0.016427      0.067989      0.124014
     10.57560     12.26381     14.51276         0.053539      0.080970     -0.102019
     10.71693     13.65388     14.63331         0.041922      0.079502     -0.010730
     10.77687     14.21162     15.91315        -0.041379      0.042191      0.048231
     10.90924     15.63646     16.37563         0.077267      0.336388     -0.133485
     10.71210     14.25863     18.25035        -0.030956     -0.201958      0.159653
     10.72555     16.79600     18.68386         0.033627      0.045347      0.013105
     10.10356     16.75257     19.93318         0.021829     -0.149948     -0.088379
      9.92833     17.90727     20.69662        -0.060604      0.025445      0.051352
     11.20864     18.07248     18.32528         0.005331     -0.132035      0.081447
     11.07884     19.23961     19.12208         0.016930     -0.166246     -0.018690
     10.39011     19.20928     20.41921         0.166065     -0.028796     -0.205103
     10.13523     20.34077      0.18961         0.029546      0.191756     -0.040148
      9.49544     20.29814      1.49641        -0.094899      0.011640     -0.146652
      9.28182      0.19297      2.28372         0.008284      0.065222     -0.137682
     10.52839      0.40371     21.14258         0.013740     -0.033589     -0.112730
     10.28339      1.55898      0.63159        -0.046146     -0.070903      0.113986
      9.67652      1.48143      1.89167         0.008081      0.137341     -0.029272
      8.83397     19.09907      2.14017        -0.047677      0.021384      0.106647
     11.80679     20.41331     18.43631        -0.048036     -0.102238      0.243467
      7.26327      7.65185     17.41638        -0.019188     -0.089644     -0.101579
      7.16208      8.58460     16.38820         0.009394     -0.104031     -0.180557
      7.12511      9.95988     16.66226        -0.026640     -0.006529     -0.200630
      7.41229      8.06249     18.73522         0.026220     -0.113632     -0.122172
      7.43089      9.43053     18.99315         0.000763      0.031910      0.162340
      7.26657     10.42658     17.99792         0.043446     -0.079917     -0.053861
      6.99489      6.29814     16.86363        -0.109290     -0.434144      0.257815
      7.03212      7.80285     15.09129        -0.120061      0.173815     -0.027189
      7.23828     11.87901     18.41207         0.035016      0.146257      0.000919
      7.20993     12.97152     17.50363        -0.020086      0.029531     -0.183594
      7.20415     14.28890     17.97826         0.041773      0.165777     -0.016644
      7.28512     12.22516     19.78714        -0.019957     -0.005345      0.087762
      7.29279     13.53852     20.26255         0.067353      0.170161     -0.007300
      7.22698     14.57945     19.34072         0.001233      0.103566     -0.140316
      7.19011     16.06095     19.52321        -0.067405      0.304344      0.471417
      7.25152     15.60448     17.24414        -0.036086     -0.154474     -0.261705
      7.53359     18.05382     17.93661        -0.086040     -0.006765     -0.066516
      8.28125     18.42959     16.82325         0.076951     -0.164194     -0.005139
      8.62882     19.75834     16.60238         0.207135      0.126008     -0.089876
      7.10305     19.11970     18.74446         0.077419      0.005014     -0.040173
      7.43706     20.48430     18.50936        -0.077551     -0.008670     -0.154881
      8.26824     20.88851     17.36893        -0.061310     -0.230962     -0.008626
      8.80494      1.01399     16.91143         0.123205      0.122730      0.050633
      9.47987      1.37988     15.66397         0.152968     -0.290871      0.005354
      9.91661      2.69890     15.42968         0.107871      0.309381      0.181324
      8.69257      2.12798     17.77515        -0.100637     -0.078753      0.073539
      9.16921      3.42688     17.55712         0.114736      0.091815      0.175717
      9.78212      3.75615     16.33930        -0.034441      0.220165      0.190624
      9.96233      0.50616     14.46570        -0.272467      0.228346      0.231849
      6.74759      0.13067     19.54311         0.066646     -0.066570     -0.239306
      6.93130     10.85588      6.14230        -0.006437     -0.105186      0.136213
      6.82195     11.29825      7.45597         0.042511     -0.240217      0.121519
      6.87583     12.66379      7.78534         0.012332     -0.040725      0.165483
      7.14942     11.78347      5.12188        -0.074093     -0.154743      0.083941
      7.22355     13.13764      5.46212        -0.035998      0.000617     -0.170409
      7.07186     13.64557      6.77687        -0.034361     -0.077017      0.017271
      6.92674      9.35716      6.12421        -0.015943     -0.046188     -0.012991
      6.79074     10.05989      8.33215         0.013206      0.105486      0.123746
      7.16844     15.14202      7.01846        -0.007874      0.093372      0.100380
      7.10585     15.77795      8.28966        -0.014589     -0.109107      0.115571
      7.23999     17.17246      8.40116        -0.011565      0.110228      0.165685
      7.38627     16.01443      5.92225         0.008658      0.087458     -0.275119
      7.45724     17.40616      6.02241        -0.055261      0.035019      0.030512
      7.36531     17.98896      7.28393        -0.044549      0.010166      0.068762
      7.51993     19.41437      7.71290        -0.018038      0.033686      0.093638
      7.41185     18.05627      9.61493         0.019616     -0.176699      0.178990
      7.63482     20.59041     10.00265         0.126697     -0.047223     -0.113055
      7.18918     20.57890     11.32102         0.005570     -0.052164      0.015825
      7.17272      0.48097     12.08566        -0.052576      0.019435      0.164298
      8.20339      0.56134      9.60136        -0.041486     -0.140423     -0.026645
      8.27919      1.71196     10.42788         0.004159     -0.085059      0.227043
      7.67956      1.75085     11.76556        -0.010161     -0.326526     -0.189759
      7.49759      2.88268     12.80274         0.213782      0.249486     -0.269271
      6.87743      2.84567     14.11417        -0.108884     -0.018526      0.446891
      6.69958      4.00360     14.90770         0.003321     -0.085475     -0.090751
      7.93469      4.19608     12.49730         0.012211      0.026422     -0.248255
      7.75303      5.34297     13.27684         0.058784      0.036467      0.094764
      7.13776      5.28299     14.53302        -0.039361     -0.006999      0.046100
      6.27642      1.64561     14.86180        -0.107296      0.301120      0.139372
      9.20179      2.76434      9.83356         0.052895      0.115464      0.160970
      4.24243     11.50295     10.60755        -0.049044     -0.006522     -0.121717
      3.98611     12.36648      9.55163        -0.070744     -0.059223     -0.224429
      4.03467     13.75144      9.70012         0.062785      0.079835     -0.161149
      4.58738     12.02931     11.85169         0.011502     -0.004649     -0.136601
      4.60137     13.42125     12.01150         0.120698     -0.082242      0.089072
      4.34009     14.32833     10.95352         0.125498      0.075023     -0.056679
      3.87306     10.11744     10.19217        -0.020484     -0.210039      0.117458
      3.51876     11.55085      8.38448        -0.078411      0.055131     -0.232612
      4.38349     15.82251     11.16914        -0.029700      0.061940     -0.096247
      4.06255     16.77890     10.16130        -0.004716      0.109907      0.050298
      4.12841     18.14921     10.45288        -0.055384      0.110134     -0.043777
      4.78956     16.33957     12.42327         0.060079      0.007073      0.099487
      4.79908     17.69990     12.73285        -0.042641      0.082732     -0.171352
      4.43009     18.59984     11.73670        -0.051103     -0.052616     -0.060615
      4.29885     20.07620     11.77962        -0.034122     -0.225743     -0.179206
      4.00113     19.37351      9.56965         0.048588     -0.093389      0.263246
      4.36108      0.63831     10.04635        -0.157534      0.105982      0.211095
      4.80630      0.99815      8.77692         0.079553     -0.088359     -0.010080
      5.29702      2.27644      8.53895         0.135800      0.147296     -0.037297
      4.23545      1.73290     10.93003         0.014362     -0.204453     -0.037460
      4.74310      3.04102     10.67633        -0.028032     -0.014806     -0.020702
      5.40473      3.38170      9.42357        -0.115527     -0.279337      0.230718
      6.01727      4.72472      8.92020         0.140695      0.238486     -0.325817
      6.50690      5.02929      7.57978        -0.013228      0.094841      0.031239
      6.83261      6.34328      7.14684        -0.050312      0.094630      0.121180
      6.00624      5.90554      9.69678        -0.027677     -0.077121      0.129958
      6.25444      7.21327      9.26227         0.085194     -0.017890     -0.025657
      6.63754      7.50083      7.94301         0.060818      0.097454      0.019988
      6.65837      3.99194      6.47082         0.227994      0.100578      0.105028
      4.27850      3.89475     11.86245        -0.054393      0.223721     -0.295227
      0.89610     14.16961      0.92701        -0.006921     -0.037609     -0.035137
      1.53926     14.61242      2.07534         0.184974     -0.132740      0.312511
      1.58602     15.99237      2.38742        -0.145122      0.086011     -0.090302
      0.44288     15.06829     21.22660        -0.013742     -0.162271      0.157781
      0.56033     16.42456      0.24027        -0.124858      0.102751     -0.104593
      1.04793     16.95370      1.46209        -0.030860      0.028176      0.233666
      0.82852     12.69154      0.92143         0.158533      0.134827      0.136712
      2.15644     13.35305      2.71529         0.293867     -0.032945      0.199839
      0.95064     18.47572      1.65186        -0.081684      0.083204     -0.172747
      1.30742     19.22325      2.80962         0.148967     -0.138378      0.042421
      1.18576     20.62404      2.81286         0.011048      0.163655      0.063410
      0.45455     19.26213      0.56619         0.000635     -0.165898     -0.053240
      0.27069     20.64450      0.59441        -0.073388      0.070113     -0.028172
      0.63395      0.07150      1.74526         0.105774     -0.043772      0.246614
      0.56929      1.52539      2.07985        -0.050788     -0.048455     -0.202980
      1.63622      0.38956      3.82324         0.067869     -0.158113      0.123001
      1.35120      2.94095      4.06368        -0.071020     -0.225022     -0.217998
      1.95140      2.99523      5.31748         0.065554     -0.007774      0.145651
      2.07767      4.20381      5.98982         0.031793      0.003828     -0.116752
      0.83062      4.16791      3.60189         0.168786     -0.142511      0.207119
      0.93434      5.37937      4.31950         0.120304     -0.019755      0.267836
      1.66017      5.48578      5.57920        -0.068257     -0.098462     -0.144652
      2.03946      6.70275      6.45328        -0.083802      0.193102     -0.007544
      2.50844      6.67357      7.81868        -0.081247     -0.019489     -0.155651
      2.92584      7.81111      8.52615         0.043409     -0.043519     -0.153747
      2.02695      8.04131      5.97102        -0.050662     -0.089250     -0.138259
      2.48844      9.18017      6.65586         0.067369      0.000041      0.112684
      2.98230      9.08935      7.97675         0.056723      0.168087      0.081801
      2.78876      5.44125      8.63324         0.024813      0.186174     -0.111156
      0.14273      6.48259      3.64936        -0.107314     -0.008112      0.241239
      4.65620     14.08386      0.68885        -0.113988     -0.179762     -0.137763
      4.06991     14.98200     -0.20022        -0.225894     -0.177663     -0.231021
      4.09036     16.37028      0.03925        -0.088591      0.230898     -0.037140
      5.30361     14.56358      1.82070        -0.035914     -0.111082     -0.092755
      5.28460     15.93241      2.06712         0.098354      0.165562      0.098665
      4.66784     16.90290      1.23523         0.013780      0.066451     -0.024814
      4.47266     12.68277      0.20221        -0.086607     -0.254166     -0.145991
      3.47183     14.13605     19.93536        -0.230228      0.031256     -0.413138
      4.71250     18.37788      1.68756         0.056683      0.240953      0.148068
      4.16551     19.52180      1.02506        -0.067307     -0.083990     -0.105478
      4.33942     20.82847      1.54633        -0.152332      0.146655     -0.118895
      5.38606     18.68888      2.90445         0.027243     -0.013088      0.107588
      5.58083     19.97697      3.41629        -0.104646      0.070181     -0.014636
      5.05741     21.06201      2.71222        -0.103596      0.034457     -0.050848
      5.13905      1.27927      2.97060         0.026169      0.096273     -0.038254
      3.86210      0.93146      1.05478        -0.100443     -0.004850     -0.177420
      4.04639      3.40820      1.92387        -0.118183      0.278686      0.001976
      3.13560      4.00439      1.02092        -0.083615      0.044769     -0.107170
      2.89935      5.39999      0.97368        -0.083651     -0.322917     -0.204779
      4.59009      4.36091      2.82882        -0.084926     -0.223895     -0.171398
      4.26209      5.74927      2.80637         0.195413      0.092297     -0.031100
      3.45058      6.40382      1.80889        -0.038911     -0.134084     -0.099137
      3.09277      7.93553      1.66519         0.033812      0.191027      0.174383
      1.95966      8.51990      0.97021        -0.067552     -0.159158     -0.097241
      1.60976      9.87335      1.07981         0.014356      0.160711      0.304728
      3.79979      8.97380      2.35477        -0.149472     -0.184579      0.068968
      3.37431     10.30474      2.57662        -0.098983     -0.016941     -0.152342
      2.24236     10.81587      1.91776        -0.221073     -0.053876     -0.144260
      0.95710      7.79350      0.07076        -0.210134     -0.221993      0.471350
      4.91320      6.49543      3.94069        -0.116207     -0.224300      0.078445
     18.05064     17.34748     13.70525         0.019148     -0.153110      0.102135
     19.06226     17.81671     14.53764         0.035556     -0.197853      0.087580
     19.32111     19.18321     14.68662         0.108554     -0.134925      0.165582
     17.32808     18.24746     12.92159         0.016162     -0.064372     -0.050524
     17.63778     19.60866     13.02642        -0.131456     -0.038066     -0.109391
     18.58078     20.13388     13.94389        -0.078209     -0.037024      0.070197
     17.99387     15.85480     13.81212        -0.368259     -0.433268     -0.215636
     19.74347     16.61798     15.14867        -0.102000      0.137695     -0.026422
     18.70319      0.36107     14.15582        -0.002974      0.153843      0.089054
     19.63556      0.94918     15.05069         0.130409     -0.070840      0.133092
     19.60867      2.32437     15.30400         0.026267      0.045339      0.092870
     17.80241      1.25263     13.52371        -0.145287      0.172736     -0.114065
     17.79336      2.63690     13.74673         0.021426      0.007867      0.003461
     18.70930      3.16561     14.65452         0.065398     -0.037375      0.027070
     18.94020      4.56701     15.10490        -0.279393      0.475405     -0.106199
     20.40337      3.16828     16.27147        -0.082076     -0.170627     -0.103669
     20.61349      5.67762     16.70725        -0.334743      0.045852     -0.033341
      0.66114      5.65433     17.17823         0.129700      0.328431      0.053262
      1.25473      6.82005     17.67106         0.155944     -0.173197     -0.019909
     19.93852      6.88785     16.92788         0.082584      0.242574      0.051563
     20.54288      8.05298     17.49468        -0.387156     -0.269280     -0.199266
      0.68689      8.10171     17.85089         0.101579     -0.384845     -0.023427
      1.57210      9.24779     18.43592         0.088376     -0.058650      0.117613
      2.93497      9.19859     18.97108        -0.042007     -0.273477     -0.307109
      3.58426     10.33622     19.50592        -0.442855      0.569549     -0.006517
      1.04460     10.54940     18.55683         0.202331      0.176876      0.146912
      1.67744     11.66700     19.11980         0.139646      0.133792      0.054410
      2.97932     11.59823     19.63872        -0.126679      0.072673     -0.093278
      4.02553      8.10726     18.89773         0.138069      0.375821      0.188612
     19.49220      9.11738     17.78102        -0.024536      0.221502      0.105972
      1.91483     18.23054     14.12519        -0.088907      0.034785     -0.032277
      1.19608     19.15389     13.36527        -0.040819     -0.139184     -0.116295
      1.26994     20.52973     13.61921        -0.133361     -0.164271     -0.090944
      2.78014     18.67319     15.12705        -0.103050     -0.016023     -0.052887
      2.84850     20.04792     15.38426        -0.104307     -0.046176      0.218426
      2.07480     21.01479     14.68375         0.129421      0.067854      0.086882
      1.59666     16.85532     13.65303         0.161183     -0.492265      0.167747
      0.43604     18.37314     12.31412        -0.180960      0.294652     -0.026543
      2.20545      1.22350     15.01710        -0.004961      0.101984     -0.086672
      1.65904      2.24401     14.19981        -0.178391      0.058460     -0.065741
      1.90499      3.58890     14.47532         0.066763      0.106276     -0.043572
      2.94672      1.67400     16.13726         0.136531      0.120047      0.114748
      3.31003      3.01618     16.34179        -0.082675      0.007810     -0.091375
      2.80999      3.97593     15.46181        -0.014984      0.124843     -0.111379
      3.07176      5.44322     15.28563         0.034782      0.191416      0.077867
      1.37085      4.82555     13.81534         0.173773     -0.269761      0.148991
      1.57953      7.31127     14.33043         0.134088      0.058680      0.020765
      0.28008      7.60071     13.91424        -0.079278     -0.016584      0.100151
     21.00754      8.87726     14.06621        -0.025006      0.128705      0.075156
      2.32434      8.43212     14.75851        -0.050260     -0.172668     -0.015683
      1.79160      9.74047     14.89512         0.096479     -0.248903     -0.139037
      0.40171     10.03991     14.54340         0.092326     -0.158859     -0.114103
     20.88466     11.37189     14.56274        -0.145232      0.152612      0.087576
     19.49996     11.65384     14.17220        -0.019637      0.198382      0.133131
     18.95763     12.96214     14.25624        -0.000349      0.032797      0.134768
      0.27925     12.55160     14.98974        -0.049747     -0.029228      0.001325
     -0.25799     13.83947     15.08330        -0.055554     -0.002623     -0.100782
     19.68263     14.09817     14.67813        -0.068255     -0.113492      0.020684
     18.43359     10.66152     13.67789         0.067048      0.244038      0.174934
      2.91133     10.69500     15.33337        -0.169844      0.002581     -0.137003
     16.19517      0.42014      5.23463         0.148080     -0.088715      0.072908
     16.88657      0.82779      6.37102         0.119891     -0.253386     -0.004381
     16.90353      2.17416      6.76997         0.058657     -0.045035      0.143561
     15.48398      1.34046      4.48633         0.073824     -0.154946     -0.025187
     15.52541      2.67707      4.86833         0.023011      0.031456     -0.068271
     16.22915      3.15862      5.99366        -0.076356     -0.043355      0.018955
     16.47442     20.24865      4.94938        -0.021098     -0.281419     -0.243085
     17.60211     20.85991      6.89729         0.128568      0.025712      0.245077
     16.22746      4.64987      6.25600        -0.025904      0.087134      0.052789
     16.93219      5.29208      7.30244         0.013936     -0.044105      0.169656
     16.87547      6.68550      7.45195        -0.000214      0.132490      0.108550
     15.49322      5.51655      5.40544        -0.080246      0.039265     -0.177681
     15.50146      6.90911      5.50314         0.098366      0.036189      0.059524
     16.21578      7.50030      6.53868         0.066504      0.023948      0.073027
     16.48443      8.93499      6.86441         0.002292      0.033870      0.011289
     17.45566      7.58447      8.50779         0.001091     -0.208237      0.245177
     17.73493     10.11735      8.76976        -0.164229     -0.141729     -0.020613
     18.77961     10.01717      9.68202        -0.040637      0.114968      0.050966
     19.33963     11.15465     10.24889         0.013322      0.041079      0.037581
     17.25564     11.42610      8.55944         0.102699     -0.100746      0.077284
     17.82492     12.57335      9.16701         0.046013     -0.036635      0.095233
     18.95758     12.48834     10.06872        -0.087813     -0.183798     -0.126967
     19.76141     13.57606     10.79168        -0.038749      0.084995     -0.021246
     21.05977     13.47373     11.42942        -0.036217      0.092268      0.002615
      0.43647     14.60408     11.98100        -0.037548      0.110382     -0.048560
     19.24263     14.88557     10.88472         0.001061      0.100883      0.066985
     19.89808     16.01451     11.38982         0.030145     -0.059033      0.077483
     21.16226     15.89357     11.98257        -0.059498      0.030415     -0.089882
      0.79382     12.31454     11.47812         0.076222      0.047836      0.103482
     17.04353     13.82701      8.82806         0.213747     -0.087281     -0.066649
     20.34358      1.39362      6.15588        -0.068489     -0.010616     -0.018639
     19.76174      2.43629      5.43084        -0.110979     -0.041591     -0.093207
     19.74377      3.74171      5.89326        -0.142485     -0.086902     -0.059963
     20.87724      1.64614      7.41484        -0.017045     -0.071987      0.064794
     20.76452      2.94277      7.93211         0.017735      0.004635      0.028356
     20.22426      4.02773      7.19226        -0.040605      0.195432      0.178590
     20.22899      0.14069      5.35062         0.095313     -0.127374     -0.005273
     19.18720      1.87297      4.16686        -0.037539     -0.112437     -0.156931
     20.25445      5.44475      7.69528        -0.048314      0.115338     -0.133831
     19.85461      6.49595      6.84093         0.031590      0.141231      0.000348
     20.16230      7.82131      7.14805         0.003969     -0.004201      0.016504
     -0.50346      5.83362      8.96108        -0.001017      0.042750     -0.008421
     -0.13759      7.15440      9.24983        -0.159946      0.143747     -0.124463
     20.87177      8.14763      8.29656        -0.177839     -0.039476     -0.113659
     -0.06617      9.60328      8.24484        -0.621438     -0.528873     -0.686020
     19.88561      9.07911      6.38181         0.300816     -0.148164      0.553353
     20.38300     11.55276      6.74253         0.095876     -0.045287      0.112317
     19.48102     11.98035      5.75793        -0.048733      0.028259      0.092953
     19.21573     13.33462      5.57731        -0.018513      0.138147      0.002337
     21.08689     12.59744      7.39266        -0.097845     -0.004924     -0.108276
     20.85819     13.97563      7.15396         0.065923     -0.096701     -0.126982
     19.83695     14.43052      6.22348         0.147642     -0.349305      0.047694
     19.34509     15.84135      5.94598        -0.075001      0.145434     -0.077741
     18.54605     16.31404      4.83370         0.042374      0.090011     -0.023480
     18.02015     17.62357      4.80311         0.033414      0.148392      0.173299
     19.56589     16.86062      6.90219         0.003021     -0.084536      0.039355
     18.97313     18.11891      6.92803         0.013026     -0.013489      0.034513
     18.13086     18.52785      5.88668        -0.076602      0.122211     -0.025366
     18.04572     15.47309      3.65968         0.091485      0.041261     -0.034598
      0.61548     14.86958      7.87132        -0.232433     -0.043735     -0.223336
     12.73939      5.20530      4.04150        -0.074718      0.097201      0.093853
     13.24382      3.79262     20.52515        -0.002995     -0.032983      0.009952
     12.94197      6.14229     21.07629         0.121490      0.056218     -0.077077
     12.89615      7.38502      4.41171        -0.072098     -0.080885      0.101494
     13.18347      7.91072      0.12023         0.062347      0.082897      0.135854
     13.55704     10.28582      0.39073         0.027768      0.062949      0.138554
     13.31242     13.39535      8.70087         0.044830      0.042223     -0.017549
     13.27748     11.55292      7.27232        -0.115571     -0.206046     -0.015217
     14.38040     14.07640      3.98598        -0.095642     -0.006362     -0.031200
     12.90978     17.13827     11.48902        -0.025281      0.049769     -0.137377
     15.15018     17.35287      7.17475         0.090613     -0.070659     -0.053207
     15.05606     19.29999      8.46771         0.056341      0.003904      0.118251
      9.74754      6.85227      3.15150        -0.022562      0.126094     -0.107079
      9.95043      3.54342      6.89065         0.062079      0.023708     -0.085467
     10.03787      5.91628      7.38168         0.184685      0.051404      0.011435
     10.01464      8.92098      3.69785         0.079865     -0.066119     -0.171507
      9.88980      7.70755      7.85366         0.021353     -0.084864      0.012421
      9.97181     10.02833      8.57166         0.093794     -0.017729     -0.133186
     12.08169     15.84127      2.37812         0.027343      0.169935     -0.059095
     11.38643     13.70705      2.88890         0.064870     -0.044393     -0.001944
     10.21748     15.01933      6.79348         0.134085      0.009160     -0.055205
     13.40364     20.29048      1.22464        -0.185629     -0.082277     -0.046223
     11.58762     19.25473      5.59105         0.021001     -0.096120      0.041955
     12.03281      0.18726      5.11538         0.019092      0.046109     -0.129645
     10.35035      9.10112     17.41899         0.009930      0.117579      0.149071
     10.51097      7.74006     12.61907        -0.047612      0.001259      0.002050
     10.32834     10.08478     13.18792         0.059444      0.087178      0.000751
     10.47179     11.38213     17.80903         0.001209     -0.040070      0.061036
     10.55066     11.88205     13.48963        -0.001896      0.009470      0.130294
     10.78557     14.27203     13.73029        -0.001038     -0.054207      0.170009
      9.38465     17.70821      0.34530        -0.019322      0.111891     -0.080888
      9.74707     15.81991     20.36608         0.008421     -0.018797     -0.132725
     11.71925     18.17204     17.37385        -0.038754     -0.033715     -0.013364
      8.77335      0.09789      3.23950         0.134517     -0.074366     -0.081664
     11.08739      0.58519     20.24049        -0.043460      0.013128     -0.110114
     10.58025      2.51078      0.20353         0.054241      0.137233      0.037776
      6.93071     10.64457     15.83856         0.090172      0.130975     -0.068424
      7.43386      7.34038     19.55320         0.112112      0.015867     -0.060277
      7.48744      9.71700     20.04119         0.149585      0.033566      0.005250
      7.21454     12.80469     16.42789        -0.019948     -0.032489     -0.120778
      7.28618     11.45366     20.55326         0.072677     -0.060132     -0.031431
      7.36489     13.73652      0.07630        -0.031518     -0.037531     -0.130957
      9.27598     19.86658     15.74472         0.036416      0.167794      0.096142
      8.64371     17.68778     16.11954         0.078872     -0.045019     -0.066129
      6.47922     18.88036     19.60052         0.111570      0.051420      0.007727
     10.38610      2.96589     14.49026         0.032683     -0.249773     -0.105119
      8.16564      2.01934     18.71715         0.136476     -0.136222      0.020264
      9.06095      4.15066     18.36948        -0.084357     -0.046628     -0.270623
      6.78641     12.95534      8.82778         0.045770      0.028411      0.177242
      7.31879     11.47208      4.08711        -0.106919     -0.028800      0.075726
      7.45987     13.81746      4.64578        -0.091139      0.033049     -0.023010
      6.96880     15.19481      9.19764         0.072983     -0.097055      0.130748
      7.57411     15.60777      4.92704        -0.155720     -0.013653      0.062368
      7.67921     18.00863      5.13873        -0.099403     -0.043773      0.095753
      6.73047      0.32231     13.04870        -0.127431      0.041771     -0.053267
      6.83528     19.67502     11.80227        -0.006317     -0.175192     -0.092413
      8.62956      0.61817      8.60315        -0.017178      0.042411      0.037471
      6.20193      3.88639     15.86928         0.186484      0.131196     -0.201063
      8.47977      4.37981     11.57502        -0.166503     -0.101350      0.077463
      8.13241      6.28253     12.89170         0.023220      0.169189     -0.062184
      3.75118     14.37101      8.85767         0.155419      0.108681     -0.180484
      4.76004     11.38686     12.71190         0.082753     -0.048216     -0.126965
      4.75854     13.79194     13.02711         0.101061      0.002309     -0.116674
      3.75290     16.48286      9.16247         0.027585     -0.129468     -0.154693
      5.11060     15.66594     13.21288         0.020384     -0.104107      0.026015
      5.10749     18.04782     13.72036        -0.003715     -0.046154     -0.052959
      5.61074      2.36184      7.52239         0.116106      0.038819      0.046768
      4.79328      0.29840      7.94599         0.102744     -0.125993     -0.000674
      3.69752      1.57219     11.86676         0.319036     -0.030896     -0.155959
      7.23408      6.43869      6.14104        -0.202195      0.119859      0.054876
      5.68265      5.87535     10.72510         0.133681     -0.166154     -0.074105
      6.11607      8.00172      9.99617         0.027762      0.054055     -0.017626
      2.02497     16.31617      3.33205         0.054651      0.014177      0.027910
      0.04391     14.73817     20.26802        -0.116596     -0.078620      0.039713
      0.23010     17.08187     20.69673        -0.027956      0.004050      0.118509
      1.69329     18.73868      3.70510         0.077468     -0.087433      0.074272
      0.19260     18.78960     20.88136        -0.027077     -0.030559      0.043819
     -0.12716     -0.08999     20.98129         0.018182     -0.016123      0.049381
      2.57193      4.06213      6.92211         0.061701      0.059237     -0.026298
      2.32237      2.11343      5.83382         0.018187     -0.062938     -0.215948
      0.27871      4.16986      2.67344        -0.078584      0.013743     -0.139651
      3.21807      7.70516      9.56178         0.073329     -0.034247     -0.001885
      1.67291      8.23997      4.95884         0.060208     -0.090621      0.073675
      2.43001     10.14040      6.15331         0.072853      0.075598     -0.068700
      3.66266     17.03469     20.54801        -0.128540      0.074002     -0.028290
      5.81104     13.89466      2.51534        -0.052899     -0.078502      0.020253
      5.81539     16.24331      2.96042        -0.047718      0.060967      0.107540
      3.60353     19.40068      0.09950        -0.023846      0.035243     -0.108045
      5.85431     17.89586      3.48819        -0.140889      0.065950     -0.043571
      6.16167     20.10917      4.33292        -0.123817      0.082912     -0.028634
      2.17293      5.67275      0.22484         0.041200      0.013787     -0.163290
      2.53986      3.39226      0.34221         0.184562      0.013045     -0.045696
      5.26906      3.99856      3.60288        -0.148885      0.150327     -0.058528
      0.75955     10.21383      0.50741        -0.058696     -0.039108      0.036693
      4.74326      8.75754      2.84281         0.025430     -0.101143     -0.146173
      3.95339     10.91449      3.26673         0.119686      0.104606     -0.106836
     20.10637     19.49181     15.37181         0.052822      0.052275      0.159032
     16.56536     17.91006     12.21067         0.087317      0.004459      0.118651
     17.11994     20.27921     12.34192        -0.082280      0.036368      0.066031
     20.39646      0.34129     15.53633        -0.008357     -0.066585      0.182371
     17.05710      0.86589     12.82820        -0.000543     -0.005814      0.044728
     17.07222      3.28312     13.23543         0.092842     -0.083863      0.041805
      2.26087      6.64622     18.00093        -0.026011      0.178517     -0.232482
      1.25197      4.74594     17.14909        -0.011409     -0.062168      0.111760
     18.88498      6.93542     16.66575         0.073108      0.085127     -0.023241
      4.60624     10.23284     19.83110         0.182572     -0.020419      0.158027
      0.05292     10.76298     18.20325        -0.269016     -0.071745     -0.127210
      1.10500     12.59269     19.14737         0.080040      0.018216     -0.019843
      0.69755     21.19775     12.97638        -0.048497      0.116413      0.032652
      3.41292     17.96660     15.67674        -0.182971      0.103752     -0.000616
      3.54262     20.36127     16.17054        -0.105248      0.072997     -0.156972
      1.06263      2.01363     13.32385        -0.204650     -0.115270     -0.157672
      3.33687      0.96556     16.86575        -0.024037     -0.109537     -0.011247
      3.97345      3.28463     17.16960        -0.089482     -0.029397     -0.085882
     19.96886      8.91628     13.78704         0.040307      0.100956      0.054474
     20.90441      6.83007     13.49019        -0.110226     -0.073244      0.074436
      3.37865      8.28274     14.98189        -0.172204     -0.040730      0.114477
     17.91017     13.11484     13.99397         0.205989     -0.098645     -0.102764
      1.32749     12.51502     15.24380        -0.051207     -0.062587      0.056810
      0.41023     14.62197     15.42979        -0.076062      0.093980     -0.004723
     17.48520      2.45133      7.64604         0.031737      0.055631      0.164456
     14.92913      1.01998      3.60843         0.175961      0.024436     -0.027341
     15.00226      3.37448      4.22534         0.000589      0.077522     -0.028943
     17.58255      4.72544      7.96191        -0.090000     -0.124616      0.280301
     14.88985      5.10943      4.59721         0.082723     -0.045034      0.004400
     14.94755      7.51213      4.78534         0.164738     -0.032040      0.030446
     20.16579     10.93608     10.88857        -0.001155      0.032621      0.128387
     19.21104      9.06831      9.97043        -0.156497     -0.176106      0.015437
     16.41006     11.55859      7.89487         0.009525      0.063280     -0.068820
      1.41646     14.47920     12.41734         0.001139     -0.011183      0.061549
     18.23309     15.07365     10.55057        -0.037608     -0.015019     -0.012772
     19.39246     16.97000     11.29828         0.010092      0.134049      0.087444
     19.36125      4.50162      5.21440        -0.117191      0.084412      0.112079
      0.12615      0.85358      7.97402        -0.167025      0.090266      0.032481
     -0.09179      3.11446      8.92806        -0.028554      0.071501      0.047176
     19.35429      6.28933      5.90481        -0.100309     -0.018534     -0.037590
     -0.33536      5.09382      9.73910         0.046490     -0.089493      0.023124
      0.34911      7.37944     10.19635        -0.019155      0.080941      0.128501
     18.40274     13.51176      4.89402        -0.003269      0.064537     -0.031825
     18.93758     11.27722      5.13608        -0.069657     -0.094628      0.109857
      0.61180     12.32366      8.08843        -0.078284      0.026546      0.006937
     17.40836     17.90661      3.94942         0.059920     -0.025729      0.098112
     20.20654     16.66635      7.74651        -0.078984     -0.109792      0.076018
     19.18438     18.75832      7.78231        -0.065928      0.058966     -0.080654
     13.86670     19.28374     10.72071         0.080669     -0.098562      0.016790
     19.28436     21.11311      3.45078        -0.044636     -0.025368     -0.045150
     12.87135      1.21657      2.65423        -0.071937      0.103101     -0.036209
     13.64656     11.52520      4.52695        -0.026457     -0.090259      0.103319
      9.55302      2.60802      2.78643         0.050210     -0.109186     -0.199111
     10.46288     12.77827      5.31117        -0.014256     -0.075005      0.056024
     10.16824      5.11412     15.97516         0.081199      0.309844     -0.369796
     10.81129     15.62854     17.81588         0.003712     -0.082936     -0.176913
      7.05539      6.40471     15.43711         0.044734      0.044661     -0.070901
      7.27814     16.65438     18.22292        -0.024920     -0.029093      0.092174
      6.78026      8.89078      7.47956        -0.098912      0.051609     -0.045292
      7.52372     19.41980      9.15150         0.103306      0.016020     -0.050242
      3.48183     10.17453      8.79438        -0.024164      0.236236     -0.187444
      4.10959     20.52818     10.43466         0.041642      0.238565      0.123549
      1.74115     12.20062      1.92010         0.159390      0.007599     -0.157273
      1.19840      1.69160      3.35165         0.045840      0.033291      0.067128
      3.62621     12.73557     20.30277        -0.032695      0.314706      0.085263
      4.31622      1.95662      1.98707         0.164708     -0.065374      0.076195
     19.12919     15.43823     14.60081         0.101685      0.106696      0.037087
     20.01275      4.53447     16.05548        -0.066958      0.002042      0.125484
      0.61280     16.97825     12.61646        -0.045069      0.258054     -0.109096
      2.04669      5.94796     14.39667         0.032270      0.019670      0.049800
     17.43009     19.79670      5.92055         0.030204      0.124200     -0.070331
     17.22086      8.94410      8.09393        -0.053262      0.129908      0.062255
     19.51316      0.50539      4.19632         0.123176      0.296397      0.328484
     20.54197     10.15120      7.07236         0.055589      0.275807      0.034603
     12.41619      2.33222      4.68870         0.028219     -0.005211      0.035210
     13.68723      0.99361      0.42950        -0.205400      0.235167      0.295017
     13.21297      9.75683      6.04560         0.053578     -0.040891      0.112180
     13.95384     12.58401      2.42013        -0.104695     -0.380385      0.248352
      9.52842      4.43928      1.29216         0.041802     -0.030630     -0.042743
      9.35140      1.46493      4.84862         0.128399     -0.092411      0.023489
     10.25286     11.79023      3.18353         0.040026      0.010996     -0.426213
     10.15611     12.94952      7.66352         0.118035     -0.352093     -0.554251
     10.08579      6.17447     18.07518         0.147385      0.241937     -0.932954
     10.88048      4.89549     13.70156        -0.367508      0.479154      0.652536
     10.66114     13.89641     19.41431         0.010278     -0.032607      0.045100
     11.07329     16.63608     15.68598        -0.116953     -0.341663      0.214568
      6.89890      8.23320     13.95759         0.131380      0.022868      0.037161
      6.69349      5.29124     17.49334         0.321431      0.246728     -0.106812
      7.27520     15.77371     16.03495        -0.053151      0.002293     -0.081598
      7.07731     16.67705     20.57935         0.079355     -0.193470     -0.460277
      6.83756     10.03363      9.55209         0.008046      0.062732      0.021780
      7.08147      8.65292      5.14142        -0.012996      0.002860      0.187923
      7.50815     17.70193     10.77964        -0.053507      0.024622     -0.108657
      7.62987     20.39954      7.00395        -0.084537      0.053326     -0.021879
      3.19092     11.95262      7.27744         0.107388     -0.015137      0.029664
      3.84100      9.12824     10.90986         0.052408      0.087246     -0.141107
      3.89540     19.41602      8.36023        -0.105734     -0.000146     -0.275698
      4.31482     20.78252     12.77069        -0.014991     -0.014043     -0.035616
      2.91806     13.28438      3.66654        -0.252589      0.030315     -0.193987
      0.08722     12.03701      0.21300        -0.273063     -0.176272     -0.230210
      2.29266      0.19182      4.83106        -0.023961     -0.021218     -0.056918
      0.05853      2.40897      1.41078         0.052032      0.026341     -0.042444
      2.97820     14.49774     18.87559         0.080144      0.079936      0.466659
      4.96602     11.66400      0.67009        -0.010952      0.128117     -0.049046
      3.20016      1.15658      0.05766        -0.074189      0.032252     -0.120940
      5.81920      1.82051      3.82318        -0.013840      0.128716      0.026725
     -0.60942     16.63277     15.96440         0.175684     -0.030640      0.113955
     17.13536     15.11083     13.35020         0.395159      0.305428      0.155840
     -0.07000      2.78244     17.11907         0.086863     -0.015066      0.057001
     18.33168      5.56837     14.74473         0.268518     -0.221163      0.135934
     21.06761     18.80774     11.35773         0.052656     -0.080796      0.274635
      2.07684     15.79749     14.05347        -0.143992      0.450993     -0.065359
      0.50993      4.87334     12.95549        -0.354996      0.100391     -0.209181
      4.00083      6.10611     15.72268        -0.349979     -0.103004      0.054652
     18.20526     20.74713      7.95376        -0.067827      0.091528     -0.120696
     16.00337     19.57365      4.04294         0.150428      0.154860      0.093316
     17.97975      7.24002      9.55556        -0.109697      0.016147     -0.036245
     16.19536      9.92210      6.20780        -0.054901     -0.016205      0.052081
     18.54058      2.40770      3.27918         0.031613      0.205817      0.079366
     20.64811     20.27111      5.57411         0.031186      0.115268      0.088755
     19.20939      9.19294      5.38418        -0.489945      0.081188     -0.592769
      0.62061     10.22084      9.01651         0.465027      0.473274      0.521036
     14.02792     17.43565      5.38588        -0.046469     -0.017911      0.110396
     15.96120     16.46700      5.70070         0.128939     -0.038401     -0.006150
     14.83310     16.13396      3.86414        -0.058957     -0.021243     -0.035946
     11.88818     15.34494     11.49213        -0.079562     -0.073892     -0.026597
     11.42631     14.52012      9.53308         0.088410     -0.018250     -0.018891
     13.21561     13.85256     10.64750         0.022237     -0.031957     -0.004372
     11.96461     17.94240      7.19831         0.052189      0.129209      0.058340
     10.00792     18.56286      6.43878        -0.125080     -0.046744      0.030794
     10.18069     16.83221      7.74030         0.061740      0.069011      0.089266
     13.30997     18.54044      0.11867         0.116524     -0.073520      0.139405
     14.18589     17.12128      1.52648         0.044352     -0.058616      0.040296
     12.12033     16.89572      0.84522        -0.168342     -0.145546     -0.198845
     11.06731      0.30318     18.32342        -0.070796     -0.026815     -0.021495
     12.95086     -0.49369     19.09276         0.071829     -0.059121      0.182698
     12.17835     20.12882     17.15427         0.113172     -0.004652      0.057906
      8.45417     19.33191      3.44587        -0.058652     -0.049629     -0.298616
      7.70099     18.77135      1.44234         0.040089     -0.137473      0.037225
      9.57417     17.95551      2.23865         0.102081     -0.053007      0.001812
      7.59533      0.86010     20.33491         0.100781     -0.000007     -0.124870
      5.88380      1.02276     18.96739         0.083712      0.037792     -0.111749
      5.99422     20.67023     20.43598         0.006222      0.179635     -0.138803
     10.14631      1.27098     13.34307         0.304105     -0.141960      0.082620
     11.16391     -0.06333     14.77037         0.224006     -0.043271     -0.029313
      9.16734     20.74694     14.02249        -0.038747     -0.058025      0.071642
      8.63733      3.99670      9.57389         0.002808     -0.159663      0.076728
     10.25804      3.00855     10.67090         0.023735      0.003940     -0.001639
      9.73907      2.38531      8.63359         0.159933     -0.065906      0.214743
      6.06713      1.90466     16.20889        -0.056448     -0.141279     -0.517210
      5.07421      1.26208     14.36086         0.127615      0.094052      0.189576
      7.04347      0.52772     14.86162         0.033182     -0.306321      0.169625
      4.85436      5.10531     12.12720        -0.123164     -0.196156     -0.083086
      2.92968      4.14053     11.73086        -0.036233     -0.079316      0.040717
      4.39736      3.21694     13.03161        -0.010753     -0.015547      0.112934
      7.22311      4.46179      5.31890         0.043202      0.066648      0.265374
      7.45352      2.95125      6.87728         0.034039     -0.037585     -0.144132
      5.46685      3.46106      6.05520        -0.124225      0.021642     -0.024029
     -0.59524      7.24696      4.49880         0.091841     -0.032656      0.046296
      0.94324      7.38015      3.01722         0.073874      0.037007      0.070565
     -0.76242      5.99885      2.75103         0.014157      0.035413      0.133846
      3.21857      5.72167      9.88457        -0.079123      0.128691      0.081559
      1.78200      4.53961      8.81355        -0.127241     -0.169967     -0.082722
      3.80187      4.76208      8.01851        -0.116290     -0.038171     -0.003784
      6.13939      6.96157      3.55637         0.027221     -0.109485     -0.073988
      4.19859      7.54317      4.43453        -0.036279      0.120557     -0.022618
      5.08021      5.70698      5.03742        -0.023797      0.051490     -0.202689
      0.00343      8.62551     20.81143         0.226967     -0.358484      0.089220
      1.56951      7.18409     -0.98690         0.100033     -0.121752      0.105497
      0.25223      6.79280      0.68406         0.109794      0.145208     -0.229311
     19.43881      9.40390     19.11665        -0.109673      0.044594     -0.035998
     19.69442     10.31802     17.14025         0.079162     -0.014455     -0.107956
     18.22712      8.75048     17.41293         0.074669     -0.012175      0.186314
      4.87640      8.19430     19.98907        -0.220024     -0.054090     -0.108177
      3.75321      6.78879     18.83959        -0.019735     -0.342582      0.246165
      4.77780      8.36954     17.78528        -0.265982      0.006738     -0.056683
      3.32085     11.48046     14.28804        -0.036052      0.144261     -0.026664
      2.61264     11.55491     16.34455        -0.111054      0.001079      0.222398
      4.03883     10.05111     15.76438        -0.044529      0.023592     -0.105719
     17.30055     11.27628     13.22210        -0.009197      0.008912      0.176245
     18.83204      9.88861     12.62456        -0.019982     -0.116847     -0.144813
     18.03327      9.80574     14.66465        -0.010567     -0.068772      0.086626
     16.22103     14.17296      9.87179        -0.074740      0.110890     -0.009204
     17.78830     14.93513      8.53057         0.147864     -0.000315     -0.003307
     16.25982     13.65233      7.73251        -0.010761      0.000536     -0.005136
      1.79677     12.53594     12.38519        -0.017155      0.042530     -0.110318
      0.37229     11.06370     11.81795        -0.071069     -0.129367      0.170797
      1.38897     12.19924     10.26820         0.117187      0.089759     -0.102959
      1.28630     15.68159      6.99901        -0.046280      0.100704     -0.161153
      0.10736     15.69646      8.84845        -0.055784     -0.052766     -0.018046
      1.55662     14.15130      8.53008         0.143049     -0.011548     -0.164258
     17.48257     16.21024      2.66152         0.176711      0.062257      0.029335
     19.01913     14.72329      3.05842         0.167131      0.019675      0.007770
     17.05445     14.59020      4.04980         0.143444      0.012910     -0.174521
 -----------------------------------------------------------------------------------
    total drift:                                0.004833      0.000062     -0.018214


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4572.0108778827 eV

  energy  without entropy=    -4572.1596496832  energy(sigma->0) =    -4572.06046848
 
 d Force = 0.6108553E+00[ 0.349E+00, 0.872E+00]  d Energy = 0.6107876E+00 0.677E-04
 d Force = 0.7519901E+03[ 0.750E+03, 0.754E+03]  d Ewald  = 0.7519910E+03-0.909E-03


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.610788  1 .order   -0.610855   -0.872471   -0.349240
  (g-gl).g = 0.364E+01      g.g   = 0.362E+01  gl.gl    = 0.324E+01
 g(Force)  = 0.362E+01   g(Stress)= 0.000E+00 ortho     =-0.583E-02
 gamma     =   1.12477
 trial     =   0.24157
 opt step  =   0.40281  (harmonic =   0.40281) maximal distance =0.06090659
 next E    = -4572.127499   (d E  =  -0.72741)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   63(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3160
 total energy-change (2. order) : 0.2094711E+00  (-0.1611403E+02)
 number of electron    2497.9999962 magnetization 
 augmentation part      162.6885160 magnetization 

  free energy =  -0.457180140086E+04  energy without entropy=  -0.457195029068E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   63(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3520
 total energy-change (2. order) :-0.3345384E+00  (-0.4073921E+00)
 number of electron    2497.9999962 magnetization 
 augmentation part      162.7208045 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8773
  0.8773

  free energy =  -0.457213593927E+04  energy without entropy=  -0.457228451326E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   63(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3688
 total energy-change (2. order) : 0.1188488E-01  (-0.8472930E-02)
 number of electron    2497.9999962 magnetization 
 augmentation part      162.6987239 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4262
  1.0855  1.7669

  free energy =  -0.457212405439E+04  energy without entropy=  -0.457227286046E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   63(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3512
 total energy-change (2. order) :-0.2496806E-02  (-0.7074813E-02)
 number of electron    2497.9999962 magnetization 
 augmentation part      162.6830918 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2850
  2.1980  0.8285  0.8285

  free energy =  -0.457212655119E+04  energy without entropy=  -0.457227473914E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   63(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3664
 total energy-change (2. order) :-0.4769923E-03  (-0.1447665E-02)
 number of electron    2497.9999962 magnetization 
 augmentation part      162.6871190 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3306
  2.3901  1.0165  1.0165  0.8995

  free energy =  -0.457212702819E+04  energy without entropy=  -0.457227534189E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   63(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3504
 total energy-change (2. order) : 0.6191645E-03  (-0.8521945E-03)
 number of electron    2497.9999962 magnetization 
 augmentation part      162.6874781 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2699
  2.3811  0.9950  0.9950  0.9892  0.9892

  free energy =  -0.457212640902E+04  energy without entropy=  -0.457227457445E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   63(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) :-0.2793712E-04  (-0.1330928E-03)
 number of electron    2497.9999962 magnetization 
 augmentation part      162.6894900 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2696
  2.4180  0.9899  0.9899  1.2212  1.2212  0.7772

  free energy =  -0.457212643696E+04  energy without entropy=  -0.457227474415E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   63(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3568
 total energy-change (2. order) : 0.2455816E-04  (-0.2076094E-04)
 number of electron    2497.9999962 magnetization 
 augmentation part      162.6904101 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2489
  2.4711  1.0442  1.0442  1.3341  1.2321  0.8082  0.8082

  free energy =  -0.457212641240E+04  energy without entropy=  -0.457227454576E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   63(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3496
 total energy-change (2. order) :-0.1050392E-04  (-0.1016622E-04)
 number of electron    2497.9999962 magnetization 
 augmentation part      162.6896311 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2404
  2.5220  1.6718  1.0227  1.0227  1.1211  0.9440  0.9440  0.6746

  free energy =  -0.457212642290E+04  energy without entropy=  -0.457227462222E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   63(  10)  ---------------------------------------



 eigenvalue-minimisations  :  2256
 total energy-change (2. order) :-0.5025475E-05  (-0.1184218E-05)
 number of electron    2497.9999962 magnetization 
 augmentation part      162.6896311 magnetization 

  free energy =  -0.457212642793E+04  energy without entropy=  -0.457227455577E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0552       2 -56.1112       3 -56.0046       4 -55.8229       5 -55.7944
       6 -56.2725       7 -58.1622       8 -58.2241       9 -56.2363      10 -55.9144
      11 -55.9927      12 -55.7711      13 -55.7909      14 -55.9847      15 -58.0595
      16 -58.0723      17 -56.3605      18 -54.9870      19 -54.8820      20 -55.0969
      21 -55.6477      22 -55.6188      23 -55.6350      24 -55.6048      25 -54.9883
      26 -54.7343      27 -54.9114      28 -54.9333      29 -60.3722      30 -60.3574
      31 -55.6313      32 -55.7815      33 -55.6804      34 -55.3216      35 -55.4608
      36 -55.9601      37 -57.7989      38 -57.9888      39 -56.0606      40 -55.7599
      41 -55.8888      42 -55.6665      43 -55.7233      44 -55.8982      45 -58.0615
      46 -58.1117      47 -56.4512      48 -55.1131      49 -54.9373      50 -55.2629
      51 -55.8782      52 -55.8472      53 -55.7705      54 -55.7452      55 -55.0966
      56 -54.8622      57 -55.0143      58 -56.3878      59 -60.3610      60 -60.6123
      61 -55.9984      62 -56.0446      63 -55.9020      64 -55.7825      65 -55.7472
      66 -56.2407      67 -58.1077      68 -58.1076      69 -56.2173      70 -55.8780
      71 -55.9938      72 -55.6985      73 -55.6902      74 -55.9458      75 -58.0723
      76 -58.1052      77 -56.4221      78 -55.0943      79 -54.9377      80 -55.2307
      81 -55.8629      82 -55.8582      83 -55.8762      84 -55.9059      85 -55.2401
      86 -55.0293      87 -55.1907      88 -56.4236      89 -60.6745      90 -60.4428
      91 -55.7008      92 -55.8179      93 -55.7140      94 -55.4722      95 -55.5242
      96 -56.0429      97 -57.8627      98 -57.9847      99 -56.1729     100 -55.8781
     101 -56.0286     102 -55.6830     103 -55.7572     104 -55.9737     105 -58.1199
     106 -58.1988     107 -56.4781     108 -55.1576     109 -54.9986     110 -55.4127
     111 -55.9821     112 -55.9145     113 -55.7910     114 -55.8137     115 -55.0721
     116 -54.9279     117 -55.0314     118 -56.3602     119 -60.4633     120 -60.6242
     121 -55.9387     122 -55.9756     123 -55.8193     124 -55.7471     125 -55.7287
     126 -56.1495     127 -58.0656     128 -58.1704     129 -56.0939     130 -55.7352
     131 -55.8480     132 -55.6353     133 -55.5729     134 -55.7795     135 -57.9003
     136 -58.0044     137 -56.4001     138 -55.0574     139 -54.8746     140 -55.2805
     141 -55.8895     142 -55.8281     143 -55.8870     144 -55.8717     145 -55.1753
     146 -55.0753     147 -55.1849     148 -56.4126     149 -60.5487     150 -60.5602
     151 -55.6352     152 -55.6625     153 -55.4941     154 -55.3685     155 -55.4285
     156 -55.8869     157 -57.9360     158 -57.8755     159 -56.0060     160 -55.7433
     161 -55.9132     162 -55.5274     163 -55.5942     164 -55.8128     165 -57.9883
     166 -58.0889     167 -56.4526     168 -55.0522     169 -54.8401     170 -55.3129
     171 -55.9071     172 -55.8952     173 -55.8588     174 -55.7883     175 -55.3413
     176 -54.8781     177 -55.0556     178 -56.5050     179 -60.4723     180 -60.6081
     181 -55.9191     182 -56.0904     183 -55.9327     184 -55.6934     185 -55.6836
     186 -56.2446     187 -58.0474     188 -58.2003     189 -56.2348     190 -55.8362
     191 -55.9870     192 -55.7170     193 -55.7044     194 -55.9220     195 -58.0533
     196 -58.1702     197 -56.5148     198 -55.0851     199 -54.9428     200 -55.2822
     201 -55.8910     202 -55.9128     203 -55.9238     204 -55.8806     205 -55.1557
     206 -55.2362     207 -55.2118     208 -56.4818     209 -60.7348     210 -60.4993
     211 -55.9768     212 -56.0812     213 -55.9226     214 -55.7476     215 -55.6828
     216 -56.2318     217 -58.1090     218 -58.1911     219 -56.1090     220 -55.7782
     221 -55.8872     222 -55.5483     223 -55.4798     224 -55.7950     225 -57.9679
     226 -58.0847     227 -56.5365     228 -55.1120     229 -55.0145     230 -55.2916
     231 -55.7935     232 -55.8680     233 -55.8770     234 -55.7387     235 -55.0006
     236 -55.1078     237 -55.2099     238 -56.4643     239 -60.3923     240 -60.3742
     241 -55.9828     242 -56.0069     243 -55.8756     244 -55.7608     245 -55.7469
     246 -56.1830     247 -58.0675     248 -58.1495     249 -56.1684     250 -55.8432
     251 -55.9659     252 -55.7267     253 -55.7323     254 -55.9003     255 -57.9750
     256 -58.0715     257 -56.3674     258 -55.0739     259 -54.8578     260 -55.2387
     261 -55.8413     262 -55.8483     263 -55.9424     264 -55.9876     265 -55.3737
     266 -55.0188     267 -55.2160     268 -56.4555     269 -60.6452     270 -60.3691
     271 -55.9208     272 -55.9883     273 -55.8320     274 -55.7289     275 -55.6815
     276 -56.1112     277 -58.0964     278 -58.1705     279 -55.9696     280 -55.6643
     281 -55.7815     282 -55.5295     283 -55.5354     284 -55.8183     285 -58.0824
     286 -57.9620     287 -56.4349     288 -55.0351     289 -54.9321     290 -55.2656
     291 -55.8927     292 -55.8544     293 -55.8570     294 -55.8521     295 -55.2302
     296 -54.9665     297 -55.0736     298 -56.4541     299 -60.4738     300 -60.6021
     301 -55.8746     302 -56.0107     303 -55.8834     304 -55.6016     305 -55.6253
     306 -56.1355     307 -58.0480     308 -58.2172     309 -56.1374     310 -55.7962
     311 -55.9292     312 -55.6546     313 -55.6336     314 -55.8577     315 -57.9818
     316 -58.0444     317 -56.3925     318 -55.0004     319 -54.7832     320 -55.2561
     321 -55.7977     322 -55.7281     323 -55.8653     324 -55.8982     325 -55.2128
     326 -55.0702     327 -55.2381     328 -56.4528     329 -60.5968     330 -60.4275
     331 -55.7732     332 -55.8053     333 -55.6803     334 -55.6097     335 -55.5776
     336 -56.0324     337 -57.9351     338 -57.9345     339 -55.8969     340 -55.5599
     341 -55.7008     342 -55.4966     343 -55.4978     344 -55.7166     345 -58.0133
     346 -57.9271     347 -56.4773     348 -55.0248     349 -54.9612     350 -55.2915
     351 -55.8669     352 -55.8316     353 -55.7966     354 -55.7871     355 -55.2483
     356 -54.9216     357 -55.0247     358 -56.4667     359 -60.4748     360 -60.5773
     361 -39.1298     362 -38.8185     363 -38.9698     364 -39.0799     365 -38.9035
     366 -38.7266     367 -38.0820     368 -38.1681     369 -38.0619     370 -38.0952
     371 -38.1729     372 -38.2136     373 -38.7597     374 -38.2866     375 -38.6926
     376 -38.8393     377 -38.8444     378 -38.7161     379 -38.1774     380 -38.1481
     381 -38.2269     382 -38.0429     383 -38.2831     384 -38.0321     385 -38.9333
     386 -38.8215     387 -38.9032     388 -38.8803     389 -38.8011     390 -38.5157
     391 -38.2086     392 -38.2505     393 -38.1971     394 -38.1702     395 -38.2267
     396 -38.3714     397 -38.7388     398 -38.4162     399 -38.7390     400 -38.8873
     401 -38.7864     402 -38.7523     403 -38.2256     404 -38.2102     405 -38.4305
     406 -38.1198     407 -38.0897     408 -37.8864     409 -38.7946     410 -38.7616
     411 -38.9511     412 -38.7372     413 -38.8523     414 -38.6002     415 -38.2411
     416 -38.3056     417 -38.2039     418 -38.1216     419 -38.1748     420 -38.3690
     421 -38.6053     422 -38.3116     423 -38.5242     424 -38.7590     425 -38.5925
     426 -38.6401     427 -38.2241     428 -38.1084     429 -38.3205     430 -38.2728
     431 -38.0680     432 -38.0494     433 -38.8432     434 -38.7589     435 -38.9141
     436 -38.7314     437 -38.9314     438 -38.6478     439 -38.4633     440 -38.1473
     441 -38.2283     442 -38.2312     443 -38.2487     444 -38.1892     445 -38.9099
     446 -38.8651     447 -38.9161     448 -38.7396     449 -38.7203     450 -38.3706
     451 -38.1171     452 -37.9575     453 -38.1191     454 -38.0198     455 -38.1000
     456 -38.1807     457 -38.9577     458 -38.6771     459 -38.8872     460 -38.9092
     461 -38.8625     462 -38.6645     463 -38.2450     464 -38.3236     465 -38.1633
     466 -38.5810     467 -38.2679     468 -38.2566     469 -38.9286     470 -38.6952
     471 -38.7208     472 -38.7996     473 -38.5979     474 -38.4619     475 -38.2167
     476 -38.1208     477 -38.1981     478 -38.0864     479 -38.1814     480 -38.0567
     481 -38.8996     482 -38.7424     483 -38.8974     484 -38.8750     485 -38.9008
     486 -38.7434     487 -38.2040     488 -38.2594     489 -38.2668     490 -38.2809
     491 -38.2273     492 -38.4152     493 -38.8447     494 -38.5177     495 -38.6597
     496 -38.7302     497 -38.5139     498 -38.5280     499 -38.2072     500 -38.0085
     501 -38.2321     502 -38.1702     503 -38.1485     504 -38.0254     505 -38.2363
     506 -41.1548     507 -71.6963     508 -71.5504     509 -71.3847     510 -71.5866
     511 -71.5995     512 -71.5388     513 -71.4112     514 -71.6532     515 -71.5662
     516 -71.4208     517 -71.4231     518 -71.5462     519 -71.5343     520 -71.6242
     521 -71.5259     522 -71.4614     523 -71.5698     524 -71.5072     525 -71.6247
     526 -71.4662     527 -71.6102     528 -71.4801     529 -71.1557     530 -71.3989
     531 -76.8776     532 -76.7803     533 -76.7656     534 -76.6665     535 -76.6326
     536 -76.5186     537 -76.7954     538 -76.6680     539 -76.6379     540 -76.6755
     541 -76.7628     542 -76.6919     543 -76.6072     544 -76.5340     545 -76.8364
     546 -76.7073     547 -76.8215     548 -76.7469     549 -76.6673     550 -76.5732
     551 -76.5515     552 -76.5953     553 -76.6702     554 -76.6784     555 -76.8196
     556 -76.7922     557 -76.8355     558 -76.7166     559 -76.7986     560 -76.7804
     561 -76.7219     562 -76.6459     563 -76.8335     564 -76.6567     565 -76.7225
     566 -76.5836     567 -76.8394     568 -76.7125     569 -76.5580     570 -76.7995
     571 -76.8559     572 -76.7043     573 -76.7071     574 -76.6548     575 -76.5931
     576 -76.5626     577 -76.6586     578 -76.8194     579 -82.3306     580 -82.3150
     581 -82.2716     582 -82.3329     583 -82.2279     584 -82.2610     585 -82.4930
     586 -82.5159     587 -82.5956     588 -82.1582     589 -82.1214     590 -82.4154
     591 -82.4007     592 -82.2162     593 -82.3169     594 -82.6182     595 -82.5022
     596 -82.7050     597 -82.4922     598 -82.4657     599 -82.5943     600 -82.2252
     601 -82.3259     602 -82.4277     603 -82.4627     604 -82.3452     605 -82.5961
     606 -82.3026     607 -82.3996     608 -82.6519     609 -82.6533     610 -82.3077
     611 -82.5406     612 -82.4380     613 -82.2796     614 -82.3525     615 -82.4415
     616 -82.5479     617 -82.3733     618 -82.7449     619 -82.7487     620 -82.7197
     621 -82.2600     622 -82.4285     623 -82.2846     624 -82.3269     625 -82.4796
     626 -82.1184     627 -82.1861     628 -82.2715     629 -82.2450     630 -82.2995
     631 -82.8178     632 -82.3668     633 -82.4686     634 -82.5487     635 -82.5425
     636 -82.3128     637 -82.4465     638 -82.2730     639 -82.2637     640 -82.3693
     641 -82.3904     642 -82.3885     643 -82.6150     644 -82.4654     645 -82.4302
     646 -82.4434     647 -82.6152     648 -82.3714     649 -82.3750     650 -82.2782
 
 
 
 E-fermi :  -1.4592     XC(G=0):  -6.5028     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
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      2     -28.9844      2.00000
      3     -28.9403      2.00000
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     11     -28.8119      2.00000
     12     -28.7776      2.00000
     13     -28.7394      2.00000
     14     -28.7280      2.00000
     15     -28.7109      2.00000
     16     -28.6960      2.00000
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     18     -28.6762      2.00000
     19     -28.6656      2.00000
     20     -28.6534      2.00000
     21     -28.6161      2.00000
     22     -28.6023      2.00000
     23     -28.5520      2.00000
     24     -28.5223      2.00000
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     26     -26.8214      2.00000
     27     -26.6993      2.00000
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     29     -26.6694      2.00000
     30     -26.6536      2.00000
     31     -26.6410      2.00000
     32     -26.6233      2.00000
     33     -26.6200      2.00000
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     47     -26.4468      2.00000
     48     -26.4439      2.00000
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   1129      -3.1899      2.00000
   1130      -3.1699      2.00000
   1131      -3.1597      2.00000
   1132      -3.1404      2.00000
   1133      -3.1193      2.00000
   1134      -3.1070      2.00000
   1135      -3.0939      2.00000
   1136      -3.0658      2.00000
   1137      -3.0523      2.00000
   1138      -3.0456      2.00000
   1139      -3.0379      2.00000
   1140      -3.0304      2.00000
   1141      -3.0270      2.00000
   1142      -3.0091      2.00000
   1143      -2.9986      2.00000
   1144      -2.9968      2.00000
   1145      -2.9903      2.00000
   1146      -2.9850      2.00000
   1147      -2.9822      2.00000
   1148      -2.9724      2.00000
   1149      -2.9605      2.00000
   1150      -2.9604      2.00000
   1151      -2.9522      2.00000
   1152      -2.9473      2.00000
   1153      -2.9416      2.00000
   1154      -2.9336      2.00000
   1155      -2.9321      2.00000
   1156      -2.9194      2.00000
   1157      -2.9148      2.00000
   1158      -2.9079      2.00000
   1159      -2.9070      2.00000
   1160      -2.9002      2.00000
   1161      -2.8867      2.00000
   1162      -2.8775      2.00000
   1163      -2.8755      2.00000
   1164      -2.8619      2.00000
   1165      -2.8597      2.00000
   1166      -2.8424      2.00000
   1167      -2.8305      2.00000
   1168      -2.8278      2.00000
   1169      -2.8154      2.00000
   1170      -2.7872      2.00000
   1171      -2.7691      2.00000
   1172      -2.7506      2.00000
   1173      -2.7329      2.00000
   1174      -2.7179      2.00000
   1175      -2.7027      2.00000
   1176      -2.6875      2.00000
   1177      -2.6681      2.00000
   1178      -2.6608      2.00000
   1179      -2.6515      2.00000
   1180      -2.6484      2.00000
   1181      -2.6307      2.00000
   1182      -2.6207      2.00000
   1183      -2.6085      2.00000
   1184      -2.6074      2.00000
   1185      -2.6035      2.00000
   1186      -2.5907      2.00000
   1187      -2.5868      2.00000
   1188      -2.5744      2.00000
   1189      -2.5626      2.00000
   1190      -2.5573      2.00000
   1191      -2.5420      2.00000
   1192      -2.5274      2.00000
   1193      -2.5254      2.00000
   1194      -2.5080      2.00000
   1195      -2.4956      2.00000
   1196      -2.4889      2.00000
   1197      -2.4868      2.00000
   1198      -2.4781      2.00000
   1199      -2.4728      2.00000
   1200      -2.4640      2.00000
   1201      -2.4547      2.00000
   1202      -2.4501      2.00000
   1203      -2.4381      2.00000
   1204      -2.4322      2.00000
   1205      -2.4298      2.00000
   1206      -2.4182      2.00000
   1207      -2.4144      2.00000
   1208      -2.4081      2.00000
   1209      -2.4020      2.00000
   1210      -2.3981      2.00000
   1211      -2.3925      2.00000
   1212      -2.3854      2.00000
   1213      -2.3833      2.00000
   1214      -2.3795      2.00000
   1215      -2.3770      2.00000
   1216      -2.3761      2.00000
   1217      -2.3722      2.00000
   1218      -2.3640      2.00000
   1219      -2.3624      2.00000
   1220      -2.3563      2.00000
   1221      -2.3469      2.00000
   1222      -2.3370      2.00000
   1223      -2.3291      2.00000
   1224      -2.3260      2.00000
   1225      -2.3095      2.00000
   1226      -2.3081      2.00000
   1227      -2.3028      2.00000
   1228      -2.2938      2.00000
   1229      -2.2915      2.00000
   1230      -2.2794      2.00000
   1231      -2.2696      2.00000
   1232      -2.2474      2.00000
   1233      -2.2452      2.00000
   1234      -2.2331      2.00000
   1235      -2.2266      2.00000
   1236      -2.2218      2.00000
   1237      -2.1854      2.00000
   1238      -1.8297      2.02499
   1239      -1.7389      2.06363
   1240      -1.7109      2.07058
   1241      -1.7059      2.07089
   1242      -1.6989      2.07069
   1243      -1.6581      2.04914
   1244      -1.6345      2.01425
   1245      -1.6283      2.00151
   1246      -1.6108      1.95699
   1247      -1.6093      1.95246
   1248      -1.5906      1.88780
   1249      -1.5785      1.83705
   1250       0.1373     -0.00000
   1251       0.1753     -0.00000
   1252       0.2265     -0.00000
   1253       0.2324     -0.00000
   1254       0.2385     -0.00000
   1255       0.2566     -0.00000
   1256       0.2786     -0.00000
   1257       0.3127     -0.00000
   1258       0.3458     -0.00000
   1259       0.3530     -0.00000
   1260       0.3767     -0.00000
   1261       0.4543     -0.00000
   1262       0.6420     -0.00000
   1263       0.6796     -0.00000
   1264       0.7011     -0.00000
   1265       0.7283     -0.00000
   1266       0.7303     -0.00000
   1267       0.7440     -0.00000
   1268       0.7627     -0.00000
   1269       0.8068     -0.00000
   1270       0.8284     -0.00000
   1271       0.8351     -0.00000
   1272       0.8508     -0.00000
   1273       0.8777     -0.00000
   1274       0.8900     -0.00000
   1275       0.8976     -0.00000
   1276       0.9107     -0.00000
   1277       0.9431     -0.00000
   1278       0.9495     -0.00000
   1279       1.0006     -0.00000
   1280       1.0045     -0.00000
   1281       1.0213     -0.00000
   1282       1.0431     -0.00000
   1283       1.1098     -0.00000
   1284       1.1133     -0.00000
   1285       1.1835     -0.00000
   1286       1.2007     -0.00000
   1287       1.2248     -0.00000
   1288       1.2970     -0.00000
   1289       1.3394     -0.00000
   1290       1.3660     -0.00000
   1291       1.4478     -0.00000
   1292       1.5017     -0.00000
   1293       1.5162     -0.00000
   1294       1.5501     -0.00000
   1295       1.5746     -0.00000
   1296       1.6194     -0.00000
   1297       1.6434     -0.00000
   1298       1.8168     -0.00000
   1299       1.8568     -0.00000
   1300       1.8661     -0.00000
   1301       1.8923     -0.00000
   1302       1.9107     -0.00000
   1303       1.9401     -0.00000
   1304       1.9834     -0.00000
   1305       2.0022     -0.00000
   1306       2.0214     -0.00000
   1307       2.0672     -0.00000
   1308       2.0799     -0.00000
   1309       2.0995     -0.00000
   1310       2.1085     -0.00000
   1311       2.1269     -0.00000
   1312       2.1425     -0.00000
   1313       2.1570     -0.00000
   1314       2.1782     -0.00000
   1315       2.1807     -0.00000
   1316       2.2023     -0.00000
   1317       2.2134     -0.00000
   1318       2.2215     -0.00000
   1319       2.2563     -0.00000
   1320       2.2705     -0.00000
   1321       2.3398     -0.00000
   1322       2.4136     -0.00000
   1323       2.4436     -0.00000
   1324       2.4515     -0.00000
   1325       2.4766     -0.00000
   1326       2.4967     -0.00000
   1327       2.5095     -0.00000
   1328       2.5239     -0.00000
   1329       2.5420     -0.00000
   1330       2.5442     -0.00000
   1331       2.5652     -0.00000
   1332       2.5821     -0.00000
   1333       2.5932     -0.00000
   1334       2.6013     -0.00000
   1335       2.6266     -0.00000
   1336       2.6362     -0.00000
   1337       2.6461     -0.00000
   1338       2.6555     -0.00000
   1339       2.6651     -0.00000
   1340       2.6681     -0.00000
   1341       2.6868     -0.00000
   1342       2.7141     -0.00000
   1343       2.7684     -0.00000
   1344       2.7914     -0.00000
   1345       2.8131     -0.00000
   1346       2.9484     -0.00000
   1347       2.9687     -0.00000
   1348       3.0049     -0.00000
   1349       3.0159     -0.00000
   1350       3.0250     -0.00000
   1351       3.0624     -0.00000
   1352       3.0767     -0.00000
   1353       3.0933     -0.00000
   1354       3.1229     -0.00000
   1355       3.1282     -0.00000
   1356       3.1530     -0.00000
   1357       3.1606     -0.00000
   1358       3.1772     -0.00000
   1359       3.2179     -0.00000
   1360       3.2365     -0.00000
   1361       3.2857     -0.00000
   1362       3.3583     -0.00000
   1363       3.4595     -0.00000
   1364       3.5142     -0.00000
   1365       3.5795     -0.00000
   1366       3.6350     -0.00000
   1367       3.6539     -0.00000
   1368       3.7087     -0.00000
   1369       3.7432     -0.00000
   1370       3.7578     -0.00000
   1371       3.7872     -0.00000
   1372       3.8198     -0.00000
   1373       3.8516     -0.00000
   1374       3.8624     -0.00000
   1375       3.8772      0.00000
   1376       3.8903      0.00000
   1377       3.8946      0.00000
   1378       3.9080      0.00000
   1379       3.9295      0.00000
   1380       3.9367      0.00000
   1381       3.9536      0.00000
   1382       3.9633      0.00000
   1383       3.9723      0.00000
   1384       3.9822      0.00000
   1385       4.0127      0.00000
   1386       4.0149      0.00000
   1387       4.0236      0.00000
   1388       4.0342      0.00000
   1389       4.0427      0.00000
   1390       4.0511      0.00000
   1391       4.0838      0.00000
   1392       4.0962      0.00000
   1393       4.1087      0.00000
   1394       4.1135      0.00000
   1395       4.1231      0.00000
   1396       4.1285      0.00000
   1397       4.1555      0.00000
   1398       4.1580      0.00000
   1399       4.1712      0.00000
   1400       4.1728      0.00000
   1401       4.1907      0.00000
   1402       4.2144      0.00000
   1403       4.2302      0.00000
   1404       4.2339      0.00000
   1405       4.2454      0.00000
   1406       4.2615      0.00000
   1407       4.2714      0.00000
   1408       4.3040      0.00000
   1409       4.3141      0.00000
   1410       4.3215      0.00000
   1411       4.3463      0.00000
   1412       4.3531      0.00000
   1413       4.3569      0.00000
   1414       4.3842      0.00000
   1415       4.3978      0.00000
   1416       4.4085      0.00000
   1417       4.4304      0.00000
   1418       4.4441      0.00000
   1419       4.4511      0.00000
   1420       4.4656      0.00000
   1421       4.4743      0.00000
   1422       4.4865      0.00000
   1423       4.4989      0.00000
   1424       4.5176      0.00000
   1425       4.5495      0.00000
   1426       4.5651      0.00000
   1427       4.5736      0.00000
   1428       4.5888      0.00000
   1429       4.5962      0.00000
   1430       4.6230      0.00000
   1431       4.6463      0.00000
   1432       4.6696      0.00000
   1433       4.6921      0.00000
   1434       4.6951      0.00000
   1435       4.7683      0.00000
   1436       4.7798      0.00000
   1437       4.8101      0.00000
   1438       4.8199      0.00000
   1439       4.8380      0.00000
   1440       4.8485      0.00000
   1441       4.8726      0.00000
   1442       4.8803      0.00000
   1443       4.9168      0.00000
   1444       4.9416      0.00000
   1445       4.9501      0.00000
   1446       4.9516      0.00000
   1447       4.9729      0.00000
   1448       4.9861      0.00000
   1449       5.0055      0.00000
   1450       5.0086      0.00000
   1451       5.0354      0.00000
   1452       5.0549      0.00000
   1453       5.0593      0.00000
   1454       5.0861      0.00000
   1455       5.1042      0.00000
   1456       5.1081      0.00000
   1457       5.1201      0.00000
   1458       5.1315      0.00000
   1459       5.1347      0.00000
   1460       5.1471      0.00000
   1461       5.1746      0.00000
   1462       5.2002      0.00000
   1463       5.2109      0.00000
   1464       5.2329      0.00000
   1465       5.2411      0.00000
   1466       5.2471      0.00000
   1467       5.2634      0.00000
   1468       5.2717      0.00000
   1469       5.2778      0.00000
   1470       5.2900      0.00000
   1471       5.3021      0.00000
   1472       5.3178      0.00000
   1473       5.3329      0.00000
   1474       5.3397      0.00000
   1475       5.3512      0.00000
   1476       5.3573      0.00000
   1477       5.3634      0.00000
   1478       5.3699      0.00000
   1479       5.3821      0.00000
   1480       5.3884      0.00000
   1481       5.4044      0.00000
   1482       5.4104      0.00000
   1483       5.4181      0.00000
   1484       5.4284      0.00000
   1485       5.4323      0.00000
   1486       5.4410      0.00000
   1487       5.4521      0.00000
   1488       5.4701      0.00000
   1489       5.4719      0.00000
   1490       5.4789      0.00000
   1491       5.4930      0.00000
   1492       5.4985      0.00000
   1493       5.5066      0.00000
   1494       5.5091      0.00000
   1495       5.5254      0.00000
   1496       5.5273      0.00000
   1497       5.5396      0.00000
   1498       5.5428      0.00000
   1499       5.5565      0.00000
   1500       5.5592      0.00000
   1501       5.5710      0.00000
   1502       5.5791      0.00000
   1503       5.6008      0.00000
   1504       5.6099      0.00000
   1505       5.6132      0.00000
   1506       5.6244      0.00000
   1507       5.6298      0.00000
   1508       5.6498      0.00000
   1509       5.6566      0.00000
   1510       5.6623      0.00000
   1511       5.6679      0.00000
   1512       5.6730      0.00000
   1513       5.6809      0.00000
   1514       5.6982      0.00000
   1515       5.7112      0.00000
   1516       5.7259      0.00000
   1517       5.7356      0.00000
   1518       5.7401      0.00000
   1519       5.7544      0.00000
   1520       5.7604      0.00000
   1521       5.7728      0.00000
   1522       5.7800      0.00000
   1523       5.7958      0.00000
   1524       5.7998      0.00000
   1525       5.8055      0.00000
   1526       5.8237      0.00000
   1527       5.8257      0.00000
   1528       5.8338      0.00000
   1529       5.8438      0.00000
   1530       5.8579      0.00000
   1531       5.8794      0.00000
   1532       5.8897      0.00000
   1533       5.8958      0.00000
   1534       5.9048      0.00000
   1535       5.9129      0.00000
   1536       5.9177      0.00000
   1537       5.9234      0.00000
   1538       5.9293      0.00000
   1539       5.9411      0.00000
   1540       5.9594      0.00000
   1541       5.9659      0.00000
   1542       5.9747      0.00000
   1543       5.9864      0.00000
   1544       5.9903      0.00000
   1545       6.0032      0.00000
   1546       6.0092      0.00000
   1547       6.0260      0.00000
   1548       6.0305      0.00000
   1549       6.0365      0.00000
   1550       6.0440      0.00000
   1551       6.0556      0.00000
   1552       6.0590      0.00000
   1553       6.0636      0.00000
   1554       6.0837      0.00000
   1555       6.0888      0.00000
   1556       6.1004      0.00000
   1557       6.1086      0.00000
   1558       6.1155      0.00000
   1559       6.1295      0.00000
   1560       6.1354      0.00000
   1561       6.1486      0.00000
   1562       6.1487      0.00000
   1563       6.1764      0.00000
   1564       6.1772      0.00000
   1565       6.1855      0.00000
   1566       6.1880      0.00000
   1567       6.1945      0.00000
   1568       6.2095      0.00000
   1569       6.2214      0.00000
   1570       6.2284      0.00000
   1571       6.2331      0.00000
   1572       6.2397      0.00000
   1573       6.2447      0.00000
   1574       6.2479      0.00000
   1575       6.2611      0.00000
   1576       6.2634      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.089  13.413  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.413  17.832  -0.001   0.002  -0.000   0.003  -0.006   0.000
 -0.001  -0.001  -4.234   0.003   0.001   8.282  -0.005  -0.001
  0.001   0.002   0.003  -4.234   0.001  -0.005   8.280  -0.001
 -0.000  -0.000   0.001   0.001  -4.227  -0.001  -0.001   8.272
  0.002   0.003   8.282  -0.005  -0.001 -18.328   0.007   0.002
 -0.004  -0.006  -0.005   8.280  -0.001   0.007 -18.323  -0.000
  0.000   0.000  -0.001  -0.001   8.272   0.002  -0.000 -18.317
 total augmentation occupancy for first ion, spin component:           1
  8.429  -3.792   0.179   0.150  -0.043   0.022   0.028  -0.007
 -3.792   1.779  -0.090  -0.102   0.025  -0.010  -0.017   0.004
  0.179  -0.090   1.773  -0.063  -0.040   0.168  -0.012  -0.008
  0.150  -0.102  -0.063   1.898  -0.089  -0.012   0.177  -0.012
 -0.043   0.025  -0.040  -0.089   1.226  -0.008  -0.012   0.081
  0.022  -0.010   0.168  -0.012  -0.008   0.018  -0.002  -0.001
  0.028  -0.017  -0.012   0.177  -0.012  -0.002   0.018  -0.002
 -0.007   0.004  -0.008  -0.012   0.081  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -50556.27636 92059.89905 23342.57194-10714.06441  6502.24996 19907.67449
  Hartree  5081.97876118972.19143 61301.46336-11149.22817  4469.51601 14171.02725
  E(xc)  -10735.67821-10588.87128-10630.87617     2.89386     8.12020    33.00300
  Local   12046.04181************************ 21861.12478-10993.84078-33481.05612
  n-local -5846.67508 -5981.45753 -6034.80696     3.87694    17.13181   -64.51901
  augment  1493.77806  1535.49913  1486.99588     4.78572    12.50766    -3.56867
  Kinetic 45503.30641 43252.75277 43663.62047   -28.63225   -70.81270  -567.98213
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -105.6658981   -394.1105526   -151.9877473    -19.2435361    -55.1278494     -5.4211892
  in kB      -17.6206343    -65.7210893    -25.3451734     -3.2090137     -9.1930102     -0.9040267
  external PRESSURE =     -36.2289657 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
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 -----------------------------------------------------------------------------------------------
   0.208E+02 -.858E+01 -.129E+02   -.351E-10 0.375E-11 -.568E-13   -.208E+02 0.860E+01 0.128E+02   -.764E-01 -.277E-01 0.134E+00
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.09571      3.16429      1.33920        -0.005857     -0.145275      0.144757
     12.86827      3.58727      2.64605         0.061942     -0.255805      0.029718
     12.84555      4.94078      2.98906        -0.032808     -0.043318      0.017018
     13.13891      4.09586      0.30719         0.032296     -0.237131      0.035856
     13.00662      5.43958      0.64161         0.021953      0.140373     -0.100100
     12.94873      5.92119      1.97081         0.032051      0.004091     -0.012159
     13.24984      1.68215      1.34087         0.215532     -0.330594     -0.384654
     12.67936      2.35959      3.49534         0.045044      0.189303      0.031937
     13.05596      7.39766      2.22779         0.038031      0.113512     -0.039448
     13.07039      7.97815      3.51878         0.000519      0.045405     -0.073865
     13.31897      9.34509      3.66362        -0.060014      0.064942      0.081767
     13.22776      8.29504      1.14438        -0.045390      0.000384     -0.279489
     13.44571      9.66860      1.28736         0.040537      0.051216      0.029879
     13.51804     10.19270      2.57901        -0.081166     -0.089048      0.115299
     13.73761     11.57844      3.09289         0.203587      0.407929     -0.205512
     13.38431     10.16326      4.91599         0.070802      0.076879     -0.345604
     13.73711     12.63918      5.45802         0.036222     -0.234948     -0.402849
     13.47198     12.50979      6.82561         0.042870      0.338398      0.058304
     13.50196     13.62522      7.66737        -0.018093      0.063377      0.054538
     14.08743     13.92591      5.02450         0.011848      0.063816      0.189550
     14.12036     15.04114      5.88778        -0.021880     -0.157817      0.148243
     13.81453     14.95275      7.29524        -0.023701     -0.336567     -0.005043
     13.88067     16.05881      8.35365        -0.118375     -0.142935      0.021965
     13.26848     16.06423      9.66217        -0.024485     -0.069905      0.007280
     13.35268     17.19563     10.49621        -0.116991     -0.066285      0.022542
     14.58263     17.25013      8.08079         0.041644     -0.151122     -0.085008
     14.57335     18.39633      8.86204         0.055922     -0.016426      0.093212
     13.93619     18.38870     10.09107         0.003050      0.056686      0.039566
     12.45953     14.95318     10.30697        -0.125968     -0.084216     -0.017561
     14.69851     16.25788      5.21230        -0.019928     -0.060334     -0.075338
      9.77974      3.85146      4.75595         0.028582      0.053670     -0.159742
      9.72568      4.78089      3.71817         0.033859     -0.227680      0.038865
      9.80372      6.15689      3.98129        -0.069009     -0.136100     -0.097129
      9.94237      4.26368      6.07227         0.082729     -0.098490     -0.107663
     10.00958      5.62746      6.32970         0.014004     -0.020126      0.007499
      9.94097      6.61525      5.31739         0.039141      0.061355      0.046653
      9.54759      2.48434      4.21962         0.138879      0.591747     -0.178874
      9.59090      4.00241      2.42760        -0.009668      0.133726      0.095400
     10.01493      8.06691      5.70739         0.018875      0.057680     -0.065094
     10.08040      9.11616      4.75995         0.008103      0.177485     -0.026669
     10.20218     10.43807      5.18966         0.030985     -0.109886      0.124928
      9.99917      8.45933      7.06958         0.025234     -0.031911      0.042658
     10.05798      9.78817      7.50174         0.088615      0.212633      0.009623
     10.19706     10.78765      6.54018         0.003037     -0.071264     -0.192404
     10.28012     12.26907      6.64496        -0.090426      0.612836      0.647903
     10.31805     11.68815      4.39291        -0.124492      0.091527     -0.043298
     10.75921     14.13717      4.91923        -0.201563      0.035602      0.177454
     11.26059     14.46444      3.65635        -0.020711     -0.042355      0.063962
     11.64093     15.76999      3.35315         0.042826      0.145785      0.082104
     10.61782     15.22189      5.80154         0.067114     -0.026250     -0.054461
     10.99656     16.54807      5.48488        -0.129963     -0.030558      0.033111
     11.55078     16.91039      4.18834        -0.059983     -0.308876      0.134471
     12.01891     18.29031      3.70766         0.230302      0.150396     -0.224530
     12.60122     18.69218      2.42959         0.048470      0.113781      0.036825
     12.91127     20.04373      2.15931         0.070254     -0.071253      0.198355
     11.92914     19.39000      4.58688        -0.011210      0.074596     -0.179615
     12.20698     20.72907      4.31709        -0.075396     -0.028107      0.011809
     12.66290     21.10108      3.05333         0.151827      0.098151     -0.287358
     13.04823     17.80965      1.25169         0.148413      0.258676      0.143283
     10.79228     17.46516      6.69410        -0.014617     -0.070461     -0.303882
     10.45230      7.08656     14.68460         0.014917     -0.314697      0.341950
     10.35644      7.50326     16.01066         0.057707     -0.526290      0.148613
     10.39149      8.85185     16.36526        -0.005899      0.310475     -0.017884
     10.46371      8.03211     13.67307         0.088493      0.126753     -0.063449
     10.39569      9.38636     14.02542         0.131271     -0.017490     -0.177670
     10.42168      9.86676     15.35788         0.057229     -0.167270      0.146953
     10.51754      5.59578     14.65461         0.471041     -1.085113     -0.971839
     10.19693      6.25022     16.85009        -0.068367     -0.094159      1.492679
     10.49894     11.36483     15.61808         0.078451      0.148594     -0.005781
     10.54537     11.97942     16.90318         0.083669     -0.027417      0.026205
     10.67923     13.37435     17.02498         0.018281      0.120142      0.118559
     10.57803     12.26199     14.51749         0.045400      0.059275     -0.161590
     10.71792     13.65178     14.63622         0.064089      0.110552     -0.010630
     10.78029     14.21196     15.91552        -0.073500     -0.058248      0.054388
     10.91048     15.63510     16.37766         0.087806      0.282151     -0.052704
     10.71605     14.25521     18.25506         0.007666     -0.081992     -0.116433
     10.72741     16.79357     18.68681         0.067089      0.012094     -0.085818
     10.10222     16.75029     19.93179        -0.007801     -0.037456     -0.029124
      9.92691     17.90646     20.69446        -0.057203      0.013565      0.041433
     11.21532     18.06689     18.32850         0.027546     -0.031511      0.106136
     11.08754     19.23703     19.12256        -0.058177     -0.224193      0.048421
     10.38964     19.20839     20.41638         0.191591     -0.061328     -0.186173
     10.13193     20.33903      0.18697         0.036172      0.251740     -0.069438
      9.49001     20.29697      1.49201        -0.091814      0.029623     -0.178827
      9.27626      0.19389      2.27772        -0.009486     -0.014514     -0.113534
     10.52360      0.40375     21.13871         0.082915     -0.096648     -0.176334
     10.28665      1.55782      0.62946        -0.113218     -0.146376      0.185362
      9.67571      1.47899      1.88873         0.064334      0.270671     -0.054162
      8.82961     19.09716      2.13262        -0.186967      0.017757      0.066562
     11.81937     20.40883     18.44286         0.016099     -0.134245      0.163012
      7.26728      7.65073     17.41204        -0.007997     -0.035150     -0.118121
      7.15980      8.58407     16.38342         0.048206     -0.134694     -0.143047
      7.12240      9.95892     16.65808        -0.040189     -0.014461     -0.199592
      7.42192      8.06415     18.72930         0.003673     -0.138618     -0.110939
      7.43875      9.43198     18.98794         0.019364      0.010802      0.149330
      7.26891     10.42623     17.99364         0.026219     -0.030329     -0.083381
      7.00337      6.29537     16.86096        -0.123412     -0.334518      0.252855
      7.03363      7.80199     15.08691        -0.177905      0.209548     -0.133227
      7.23932     11.87926     18.40804         0.038579      0.153853     -0.028274
      7.20624     12.97177     17.49962        -0.039980      0.092810     -0.132547
      7.20084     14.29096     17.97348         0.055008      0.116767      0.057383
      7.29070     12.22683     19.78256        -0.008680     -0.060044      0.074440
      7.29884     13.53930     20.25736         0.045560      0.252798      0.012746
      7.22798     14.58416     19.33783         0.011191     -0.058404     -0.240365
      7.19091     16.06271     19.51632        -0.109823      0.509011      0.849846
      7.24547     15.60478     17.23928        -0.059498     -0.105397     -0.419638
      7.53300     18.05491     17.93031        -0.110190     -0.014630     -0.069568
      8.28249     18.43089     16.81848         0.087858     -0.165696      0.006189
      8.63212     19.75968     16.59615         0.179198      0.119063     -0.028439
      7.09756     19.12112     18.73408         0.100672      0.020676     -0.008510
      7.43656     20.48409     18.50365        -0.020309      0.063761     -0.259613
      8.27482     20.89071     17.36416        -0.142590     -0.336147      0.046264
      8.81156      1.01403     16.91166         0.175261      0.138052      0.024059
      9.49323      1.38235     15.66784         0.108989     -0.467916     -0.052684
      9.92613      2.70058     15.43441         0.130761      0.238164      0.254498
      8.69671      2.12577     17.77665        -0.121304     -0.022540      0.099614
      9.17212      3.42484     17.56119         0.149962      0.204766      0.159141
      9.79164      3.75414     16.34447        -0.119065      0.298536      0.300191
      9.97892      0.50005     14.46674        -0.343970      0.556266      0.316597
      6.74399      0.13184     19.53270         0.140112     -0.003934     -0.208569
      6.93017     10.85162      6.14465        -0.007159      0.007482      0.183772
      6.82322     11.29693      7.45970         0.047503     -0.253790      0.075798
      6.87592     12.66343      7.78900         0.020184     -0.125110      0.081185
      7.14354     11.78285      5.12453        -0.090278     -0.223472      0.131351
      7.21614     13.13611      5.46428        -0.030574      0.049514     -0.161536
      7.06920     13.64363      6.77938        -0.037295      0.000072      0.035906
      6.92587      9.35232      6.12664        -0.042592      0.176581      0.227669
      6.79436     10.06015      8.33913         0.015793      0.094304     -0.040577
      7.16600     15.14218      7.02128        -0.024275      0.060389      0.117254
      7.10789     15.77712      8.29386        -0.007030     -0.055621      0.046740
      7.24033     17.17190      8.40580         0.002066      0.146761      0.168056
      7.37684     16.01641      5.92571         0.016261      0.078230     -0.309386
      7.45009     17.40844      6.02701        -0.070986      0.024696      0.070635
      7.36183     17.99197      7.28881        -0.046408     -0.069381      0.082882
      7.51391     19.41934      7.71747        -0.066522     -0.380641      0.261923
      7.41516     18.05434      9.62374        -0.018014     -0.090726     -0.258671
      7.63671     20.59023     10.00605         0.132436     -0.123051     -0.220756
      7.19213     20.57837     11.32176        -0.008368      0.043646      0.096727
      7.17752      0.48130     12.08775        -0.059384     -0.050012      0.149406
      8.21065      0.55780      9.60398        -0.064554     -0.131980      0.012247
      8.28839      1.70801     10.42793        -0.033336     -0.035884      0.355868
      7.68441      1.74958     11.76751        -0.001417     -0.374542     -0.218599
      7.49757      2.87661     12.80768         0.350790      0.466885     -0.477648
      6.88112      2.84414     14.11335        -0.244610     -0.010550      0.615935
      6.69981      4.00711     14.90670        -0.001141     -0.291356     -0.144372
      7.93412      4.19449     12.49531         0.013912     -0.172871     -0.271026
      7.75828      5.33753     13.27526         0.009127      0.062824      0.131408
      7.13945      5.28039     14.53148         0.014076      0.130995     -0.003942
      6.27659      1.64295     14.86236        -0.047359      0.453738      0.169552
      9.21543      2.75698      9.83821         0.110562      0.229783      0.196537
      4.24767     11.50166     10.59894        -0.059018      0.105868     -0.142211
      3.99161     12.36762      9.54307        -0.070565     -0.055785     -0.210021
      4.04353     13.75327      9.69110         0.078835      0.002097     -0.088320
      4.59444     12.03000     11.84265         0.006432     -0.012333     -0.147773
      4.60808     13.42223     12.00289         0.125854     -0.103031      0.118643
      4.34819     14.32886     10.94597         0.112289      0.135475     -0.096926
      3.87317     10.11835     10.18377         0.000098     -0.179091      0.175378
      3.52070     11.55394      8.37424        -0.002428     -0.009532     -0.005943
      4.39048     15.82432     11.16302        -0.055224      0.055134     -0.127362
      4.06441     16.77998     10.15532        -0.004561      0.122040      0.099648
      4.12689     18.15118     10.44646        -0.024281      0.076759      0.070499
      4.79500     16.34255     12.41745         0.063580     -0.079745      0.083345
      4.79944     17.70127     12.72736        -0.068398      0.186280     -0.201820
      4.42807     18.60402     11.73191        -0.024205     -0.260068     -0.063992
      4.29780     20.07651     11.77389        -0.034534     -0.087385      0.046690
      3.99688     19.37281      9.57150        -0.072479      0.040206     -0.847379
      4.36062      0.63692     10.04375        -0.154103      0.118894      0.195984
      4.80936      0.99694      8.77655         0.089728      0.005495     -0.000288
      5.30161      2.27579      8.54145         0.162903      0.193938     -0.034152
      4.23494      1.73140     10.92792        -0.008257     -0.280850     -0.030088
      4.74289      3.03800     10.67796         0.018976      0.038432     -0.095154
      5.40953      3.38207      9.42607        -0.165479     -0.387521      0.280795
      6.02346      4.72311      8.92676         0.117911      0.200597     -0.389918
      6.51114      5.02789      7.58452        -0.023909      0.181615      0.064714
      6.83480      6.34423      7.15177        -0.066264     -0.025694      0.112463
      6.01119      5.90091      9.70392         0.027696      0.150641      0.050776
      6.25583      7.21336      9.26672         0.083175     -0.258450     -0.030288
      6.63825      7.49987      7.94762         0.058865      0.175909      0.056475
      6.66172      3.99244      6.47599         0.287011      0.040946      0.126535
      4.27195      3.88760     11.86209        -0.086406      0.300316     -0.332172
      0.88836     14.16299      0.93032         0.066908      0.041944      0.050179
      1.53416     14.60831      2.07761         0.238242     -0.167626      0.369433
      1.58510     15.98674      2.39048        -0.239235      0.105659     -0.218217
      0.43510     15.06245     21.23315        -0.014224     -0.119075      0.183414
      0.55352     16.41941      0.24536        -0.125784      0.082336     -0.127814
      1.04434     16.94830      1.46433         0.001077      0.081314      0.279684
      0.82366     12.68738      0.92241         0.285393      0.172838      0.317779
      2.15691     13.35142      2.72247        -0.008350     -0.072651     -0.226784
      0.95035     18.47306      1.65243        -0.089804      0.028680     -0.158301
      1.30754     19.22038      2.80956         0.118094     -0.028941     -0.007269
      1.18692     20.62298      2.81215         0.026841      0.143763      0.058067
      0.45247     19.25914      0.56792         0.005464     -0.195806     -0.062271
      0.26848     20.64059      0.59572        -0.066917      0.161878     -0.027310
      0.63565      0.07255      1.74347         0.137532     -0.173813      0.318191
      0.57031      1.52621      2.07957         0.068366     -0.363366     -0.034754
      1.64068      0.38669      3.82662        -0.122393     -0.099202     -0.194331
      1.34803      2.93931      4.06340        -0.074178     -0.240617     -0.282936
      1.94930      2.99682      5.31405         0.122003      0.046585      0.265344
      2.07743      4.20603      5.98733        -0.000343      0.008841     -0.203586
      0.82728      4.16506      3.60063         0.116658     -0.131398      0.166533
      0.92877      5.37666      4.31575         0.131214      0.030074      0.320401
      1.65640      5.48590      5.57420        -0.053358     -0.102240     -0.088817
      2.03525      6.70285      6.45053        -0.042511      0.163135      0.061351
      2.50428      6.67178      7.82007        -0.091578      0.176228     -0.308772
      2.92166      7.81561      8.52354        -0.020629     -0.210277     -0.237693
      2.02705      8.04015      5.96490        -0.071319     -0.082053     -0.093843
      2.48545      9.18120      6.64884         0.109012     -0.119024      0.208107
      2.97804      9.09145      7.97278         0.037221      0.218154     -0.023900
      2.78701      5.44338      8.63474        -0.101354      0.096295     -0.106989
      0.13548      6.48035      3.64751        -0.194105     -0.062017      0.379960
      4.65510     14.08287      0.68847        -0.160374     -0.144374     -0.179798
      4.07075     14.98385     -0.20036        -0.288143     -0.308098     -0.316354
      4.08965     16.36980      0.03560        -0.045260      0.269159      0.038148
      5.29990     14.56449      1.82083        -0.063506     -0.171430     -0.163721
      5.27939     15.93186      2.06420         0.130183      0.258225      0.190982
      4.66438     16.90333      1.23272         0.022386      0.071471     -0.046936
      4.46727     12.68276      0.20168        -0.050947     -0.314142     -0.144174
      3.46637     14.13943     19.93387        -0.183885     -0.016858     -0.397725
      4.70954     18.37800      1.68313         0.048812      0.309030      0.149157
      4.16647     19.52457      1.01879        -0.037221     -0.148634     -0.062602
      4.33962     20.82972      1.54087        -0.150146      0.250247     -0.102770
      5.37888     18.69184      2.90131         0.060252     -0.118214      0.146956
      5.57505     19.97852      3.41416        -0.156946      0.137002     -0.064210
      5.05522     21.06587      2.70955        -0.125761     -0.008659     -0.094496
      5.13881      1.28518      2.96886        -0.247769     -0.192220     -0.406058
      3.86004      0.93373      1.04548         0.014895     -0.002277      0.006442
      4.04941      3.41314      1.91789        -0.101356      0.232487      0.034869
      3.14073      4.00811      1.01490        -0.176018      0.064666     -0.205559
      2.90504      5.40416      0.96334        -0.121791     -0.328816     -0.213216
      4.59368      4.36845      2.82070        -0.114231     -0.308316     -0.215916
      4.26041      5.75382      2.79774         0.296435      0.150938      0.137321
      3.44868      6.40826      1.80317        -0.068945     -0.183167     -0.184910
      3.08621      7.93409      1.65817         0.038837      0.215691      0.188426
      1.94437      8.51832      0.97441         0.006962     -0.249200     -0.116665
      1.60198      9.87074      1.08354         0.036822      0.254764      0.390624
      3.80028      8.97037      2.33995        -0.025332     -0.259607      0.182664
      3.37653     10.29889      2.56991        -0.030216      0.103040     -0.106978
      2.24493     10.81507      1.91784        -0.366391     -0.130488     -0.252304
      0.94094      7.79070      0.07604        -0.188971     -0.324419      0.544315
      4.91238      6.49725      3.93807        -0.097208     -0.311878      0.074372
     18.04716     17.34628     13.71319         0.090095     -0.109641      0.136297
     19.05872     17.81657     14.54732         0.008422     -0.168196      0.042381
     19.31656     19.18382     14.69677         0.058194     -0.200109      0.128821
     17.32784     18.24756     12.92902        -0.031060     -0.087668     -0.083027
     17.63640     19.60806     13.03309        -0.109251     -0.016122     -0.133768
     18.57762     20.13256     13.95048        -0.045954      0.033941      0.134829
     17.99423     15.85413     13.81832        -0.517177     -0.518433     -0.274146
     19.74303     16.61952     15.15548        -0.283776      0.105248     -0.135761
     18.70001      0.36088     14.16279         0.014217      0.138127      0.093274
     19.63015      0.94849     15.06053         0.097765     -0.009230      0.119405
     19.60689      2.32491     15.31162        -0.058616      0.048388      0.023910
     17.80295      1.25317     13.52729        -0.150478      0.170866     -0.126718
     17.79542      2.63829     13.74846         0.043836      0.013363      0.031943
     18.70985      3.17003     14.65807         0.073360     -0.217472      0.001114
     18.94084      4.56953     15.10774        -0.308006      0.443781     -0.128274
     20.40032      3.16686     16.27806        -0.054008     -0.102226     -0.078288
     20.60824      5.67948     16.71389        -0.218689     -0.163577     -0.092748
      0.65808      5.65560     17.18096         0.173879      0.428281      0.097899
      1.25386      6.82113     17.67642        -0.093861     -0.111979     -0.115234
     19.93510      6.88440     16.93653        -0.110660      0.403398      0.028594
     20.53828      8.05211     17.49939        -0.310285     -0.240575     -0.175858
      0.68287      8.10578     17.85206         0.204896     -0.540019      0.010975
      1.57228      9.25074     18.43816        -0.112346     -0.075229      0.009842
      2.93174      9.20396     18.97067         0.113519     -0.237243     -0.243528
      3.58210     10.34352     19.50369        -0.643907      0.592315     -0.068890
      1.03966     10.55012     18.55057         0.398626      0.292442      0.324414
      1.67092     11.66897     19.12063        -0.002133      0.147669     -0.058924
      2.97230     11.60484     19.63669        -0.056024     -0.060227     -0.056684
      4.02069      8.11326     18.90057         0.315513      0.354026      0.178553
     19.49147      9.11639     17.78854        -0.199449      0.250680      0.061896
      1.90969     18.23203     14.12229        -0.094183      0.167670      0.041711
      1.19160     19.15718     13.36220        -0.002419     -0.164944     -0.078761
      1.26519     20.53334     13.61795        -0.122398     -0.288296     -0.092700
      2.76990     18.67731     15.12841        -0.043499     -0.087639     -0.027282
      2.83717     20.05117     15.38694        -0.097521     -0.057736      0.248317
      2.06514     21.01594     14.68604         0.124423      0.161723      0.058038
      1.58924     16.85902     13.65532         0.287064     -0.647441      0.186814
      0.43207     18.37541     12.31137        -0.034615      0.201469      0.202801
      2.19581      1.22478     15.01932         0.005904      0.158616     -0.125961
      1.65452      2.24501     14.19863        -0.202502      0.106887     -0.106846
      1.89936      3.59247     14.46844         0.247257      0.050657      0.169551
      2.93615      1.67833     16.13901         0.091987      0.042901      0.096906
      3.29937      3.01871     16.34323        -0.121240      0.133367     -0.157590
      2.80317      3.98171     15.45982        -0.026433     -0.063913     -0.089673
      3.06869      5.44876     15.28705        -0.392189     -0.155816     -0.115787
      1.37486      4.82589     13.81428        -0.718141     -0.051329     -0.715980
      1.57274      7.31312     14.32340         0.201866      0.045664      0.027440
      0.27301      7.60321     13.90889         0.000122      0.027739      0.160452
     21.00540      8.88026     14.06302        -0.019539      0.196565      0.098914
      2.32168      8.43292     14.74795        -0.056140     -0.174466     -0.000896
      1.79270      9.74255     14.88626         0.062094     -0.289351     -0.137863
      0.40251     10.04294     14.53971         0.058628     -0.224148     -0.124599
     20.88392     11.37159     14.56527        -0.146506      0.189507      0.061827
     19.49745     11.65211     14.17537         0.077226      0.278631      0.180499
     18.95691     12.96198     14.26360        -0.008234     -0.018490      0.103241
      0.27849     12.55118     14.99312        -0.050368     -0.026730      0.015862
     -0.25748     13.83968     15.08652        -0.085746     -0.070305     -0.140675
     19.68487     14.09853     14.68204        -0.216606     -0.118679     -0.015342
     18.43373     10.66027     13.68374         0.002443      0.194856      0.170744
      2.91283     10.69427     15.32366        -0.258224      0.058628     -0.173390
     16.20186      0.41770      5.23410         0.173707      0.000021      0.126594
     16.89030      0.82588      6.37435         0.072665     -0.239859     -0.029852
     16.90134      2.17214      6.77752         0.025723     -0.113581      0.064224
     15.49389      1.34107      4.48513         0.080365     -0.202116     -0.013305
     15.53205      2.67646      4.86877         0.034299      0.061790     -0.042423
     16.22902      3.15652      5.99932        -0.074546     -0.015650      0.034856
     16.48183     20.24750      4.94852        -0.009451     -0.286737     -0.228462
     17.60642     20.85914      6.90210         0.101877      0.008007      0.186051
     16.22480      4.64826      6.26513        -0.011615      0.048083      0.060649
     16.92358      5.28924      7.31686        -0.027485      0.061936      0.112778
     16.86964      6.68425      7.46325        -0.027415      0.146065      0.063515
     15.49736      5.51516      5.40980        -0.086252      0.030903     -0.188809
     15.50782      6.90747      5.50498         0.106091      0.073229      0.075345
     16.21647      7.50111      6.54353         0.100577     -0.068315      0.115186
     16.48752      8.93705      6.86563         0.074744     -0.269066      0.171807
     17.45212      7.58301      8.52055        -0.197472     -0.110485     -0.118211
     17.73334     10.11684      8.77631        -0.258736     -0.206193     -0.138646
     18.77494     10.01614      9.68735         0.030206      0.278984      0.126185
     19.33547     11.15510     10.25632        -0.031002     -0.069050     -0.031452
     17.25224     11.42367      8.56388         0.177183     -0.018767      0.133629
     17.82505     12.57271      9.16685         0.053171     -0.080729      0.134729
     18.95746     12.48715     10.06948        -0.081001     -0.124484     -0.107040
     19.76415     13.57559     10.79116        -0.131729      0.142718     -0.079573
     21.06221     13.47459     11.42363        -0.036409      0.148942      0.053419
      0.43615     14.60779     11.97603         0.038683      0.040063     -0.017524
     19.24289     14.88629     10.88401        -0.066498      0.024497      0.046540
     19.89385     16.01446     11.39179         0.107701     -0.085528      0.098869
     21.16029     15.89541     11.98202        -0.063422      0.006278     -0.083746
      0.79493     12.31590     11.47219         0.095842      0.102436      0.067777
     17.04599     13.82620      8.82960         0.161326     -0.030582     -0.075312
     20.33797      1.39504      6.15847        -0.041591      0.073493      0.008414
     19.75692      2.43833      5.43358        -0.144309      0.062089     -0.106210
     19.73627      3.74571      5.89738        -0.097327     -0.251565     -0.043137
     20.87334      1.65102      7.41647         0.005040     -0.136874      0.107600
     20.75915      2.94560      7.93664         0.011199      0.032276      0.024303
     20.21634      4.02906      7.19717        -0.047972      0.275187      0.157626
     20.23021      0.14337      5.35387        -0.006926     -0.028721     -0.121729
     19.18651      1.87924      4.16350         0.204609     -0.382032      0.157659
     20.24635      5.44765      7.69796        -0.040768      0.161408     -0.092893
     19.84370      6.49911      6.84323         0.098656      0.157834      0.100177
     20.15443      7.82604      7.14881         0.014582     -0.070105      0.062357
     -0.51010      5.83865      8.96506        -0.042602     -0.063989     -0.068842
     -0.14767      7.15874      9.25359        -0.162653      0.210771     -0.191379
     20.86518      8.15307      8.29777        -0.227798     -0.146762     -0.118247
     -0.06926      9.61105      8.25021        -1.618122     -1.538891     -1.778001
     19.87452      9.08196      6.37933         0.629226     -0.199334      1.015992
     20.37867     11.55433      6.73997         0.116482     -0.129235      0.123551
     19.47769     11.98249      5.75604        -0.055829      0.133129      0.100237
     19.21491     13.33785      5.57328         0.033473      0.081610      0.054916
     21.08884     12.59708      7.38459        -0.074533      0.027463     -0.077437
     20.86401     13.97541      7.14583         0.045154     -0.092096     -0.148331
     19.83975     14.43118      6.21826         0.151202     -0.312698      0.050019
     19.34770     15.84244      5.94250        -0.052012      0.136466     -0.054226
     18.55081     16.31782      4.82970         0.060744      0.085932     -0.000461
     18.02498     17.62711      4.80193         0.063753      0.078790      0.174006
     19.56696     16.85798      6.90291        -0.020464     -0.064161      0.018328
     18.97607     18.11786      6.92772         0.050041     -0.135077      0.039776
     18.13627     18.52701      5.88771        -0.133828      0.218994     -0.059953
     18.05736     15.47952      3.65262         0.068833     -0.020261     -0.060116
      0.62380     14.86878      7.85844        -0.245583      0.040580     -0.213984
     12.74198      5.20416      4.03739        -0.087846      0.130295      0.158529
     13.24967      3.79432     20.52462         0.002353     -0.051522     -0.021705
     12.94671      6.14153     21.07452         0.126569      0.050419     -0.083088
     12.90231      7.38294      4.40946        -0.093942     -0.132763      0.164121
     13.18574      7.91311      0.12027         0.063816      0.097978      0.155528
     13.55972     10.28558      0.39318         0.026193      0.087113      0.125970
     13.31796     13.38995      8.70731         0.048595      0.048602     -0.028889
     13.27452     11.55197      7.27832        -0.118378     -0.306490      0.013110
     14.37770     14.07282      3.99067        -0.094122     -0.014769     -0.030467
     12.90731     17.13694     11.48957        -0.025316      0.073584     -0.134615
     15.15747     17.33997      7.18363         0.109735     -0.074278     -0.071559
     15.06822     19.28510      8.46936         0.069288      0.071256      0.105373
      9.73579      6.84809      3.14758        -0.017264      0.185427     -0.137596
      9.96402      3.54574      6.88757         0.060315     -0.001392     -0.060888
     10.05598      5.91838      7.37532         0.180562      0.058837      0.063770
     10.00925      8.92592      3.69465         0.088036     -0.093693     -0.221857
      9.89612      7.70761      7.84791         0.012024     -0.076454      0.029234
      9.97794     10.02586      8.56829         0.094841     -0.007505     -0.140334
     12.07605     15.84370      2.37442         0.046784      0.181125     -0.095848
     11.38994     13.71226      2.88726         0.061606     -0.096018     -0.049639
     10.21527     15.02255      6.79038         0.115382     -0.007927     -0.054277
     13.40743     20.29016      1.22568        -0.184842     -0.066320     -0.040820
     11.58892     19.25780      5.59107        -0.008017     -0.115295      0.097044
     12.02985      0.18645      5.11400         0.020844      0.098013     -0.080802
     10.35886      9.09831     17.42032         0.004063      0.163284      0.268559
     10.51686      7.73977     12.62468        -0.039886     -0.010521     -0.045967
     10.33406     10.08222     13.19255         0.063318      0.084926     -0.003401
     10.48558     11.38282     17.81118        -0.013975     -0.084400      0.118916
     10.55246     11.87763     13.49446        -0.001573      0.031313      0.150056
     10.78734     14.26583     13.73030        -0.006538     -0.041315      0.183182
      9.38213     17.70606      0.34280        -0.017727      0.129783     -0.107860
      9.73604     15.82366     20.36302         0.002207     -0.102104     -0.104409
     11.72999     18.16360     17.37990        -0.023804     -0.031668     -0.039691
      8.76523      0.10110      3.23175         0.121104     -0.092416     -0.061935
     11.08156      0.58450     20.23358        -0.077746      0.002474     -0.049694
     10.58977      2.50591      0.20442         0.068850      0.223195      0.007048
      6.92000     10.63998     15.83346         0.099660      0.153068     -0.062125
      7.44817      7.34339     19.54782         0.115223      0.002767     -0.050714
      7.50392      9.71856     20.03498         0.139965      0.034772      0.018212
      7.20153     12.80740     16.42470        -0.007610     -0.051290     -0.159211
      7.29820     11.45331     20.54756         0.065567     -0.031883     -0.035565
      7.37270     13.73459      0.07153        -0.028061     -0.028282     -0.129715
      9.27781     19.86512     15.73804         0.055178      0.172348      0.082072
      8.64717     17.68837     16.11750         0.082462     -0.057726     -0.085883
      6.46993     18.88464     19.58758         0.100321      0.032163      0.018103
     10.40263      2.96990     14.50411         0.083299     -0.233946     -0.262848
      8.16527      2.02123     18.71655         0.132556     -0.163233      0.015617
      9.05440      4.15329     18.37195        -0.057173     -0.119660     -0.331596
      6.78592     12.95133      8.83023         0.048943      0.064289      0.239929
      7.30864     11.47448      4.08972        -0.097368     -0.049826      0.029572
      7.44589     13.81816      4.64719        -0.087517      0.017036     -0.011598
      6.97338     15.19630      9.20159         0.071728     -0.141539      0.174280
      7.55499     15.61126      4.92704        -0.148327     -0.005777      0.092702
      7.66869     18.01053      5.14340        -0.096360     -0.026080      0.065806
      6.73727      0.32196     13.05218        -0.126995      0.043950     -0.074762
      6.83622     19.67757     11.80266        -0.029716     -0.235952     -0.063298
      8.63828      0.61227      8.60858         0.015568      0.047073     -0.032915
      6.20084      3.88993     15.86605         0.161293      0.118113     -0.161545
      8.47493      4.37459     11.56785        -0.187606     -0.104825      0.134494
      8.14106      6.27285     12.88943         0.041062      0.249458     -0.076125
      3.76382     14.37139      8.84878         0.135758      0.152496     -0.225917
      4.77085     11.38958     12.70332         0.071742     -0.063142     -0.117147
      4.76389     13.79389     13.01901         0.102101     -0.012822     -0.132220
      3.74893     16.48389      9.15932         0.030611     -0.139210     -0.184818
      5.11925     15.66711     13.20555         0.011429     -0.073282      0.012227
      5.10487     18.04880     13.71516         0.006223     -0.036279     -0.030162
      5.61902      2.36335      7.52583         0.107388      0.019075      0.064316
      4.79726      0.30470      7.94227         0.095232     -0.202311     -0.038925
      3.69382      1.56805     11.86250         0.320787     -0.020811     -0.154720
      7.23380      6.43893      6.14537        -0.192569      0.125693      0.042811
      5.69347      5.87399     10.73290         0.108983     -0.189609     -0.029928
      6.11738      7.99719     10.00101         0.014736      0.138657      0.043462
      2.02233     16.31038      3.33293         0.098708      0.035827      0.098373
      0.03365     14.73175     20.27898        -0.151448     -0.095980     -0.050461
      0.22248     17.07512     20.70074        -0.030355      0.010805      0.125267
      1.69092     18.73910      3.70540         0.103951     -0.128679      0.126190
      0.18917     18.78619     20.88371        -0.030594     -0.033698      0.041476
     -0.13202     -0.09399     20.98328         0.021661     -0.028859      0.050429
      2.57738      4.06985      6.91683         0.069557      0.039634     -0.006908
      2.32476      2.12016      5.83242         0.029316     -0.124988     -0.201665
      0.27132      4.16425      2.67451        -0.072270      0.020519     -0.145264
      3.21226      7.71081      9.55714         0.104603     -0.042396      0.089178
      1.67435      8.23612      4.95158         0.065551     -0.088967      0.077341
      2.43133     10.13615      6.14196         0.065805      0.169095     -0.099707
      3.66611     17.03107     20.54229        -0.162695      0.121744     -0.071052
      5.80493     13.89654      2.51515        -0.018884     -0.109033      0.068610
      5.80807     16.24156      2.96037        -0.060654      0.070239      0.080462
      3.60893     19.40485      0.09217        -0.054804      0.029318     -0.151009
      5.84335     17.89784      3.48966        -0.158613      0.093776     -0.073128
      6.14932     20.10927      4.33323        -0.087552      0.082780      0.011154
      2.18534      5.67910      0.20693         0.061454     -0.013222     -0.120645
      2.54220      3.39708      0.33523         0.224158      0.027492     -0.015640
      5.27371      4.00512      3.59211        -0.129995      0.162190     -0.024965
      0.74636     10.21307      0.52228        -0.085408     -0.032273      0.002990
      4.74957      8.75002      2.82483        -0.098956     -0.070160     -0.217611
      3.96159     10.90726      3.25839         0.097278      0.076638     -0.134285
     20.09737     19.49038     15.38553         0.094170      0.081253      0.180540
     16.56647     17.91357     12.21555         0.080339     -0.017189      0.115265
     17.12504     20.27927     12.34416        -0.095753      0.024530      0.072022
     20.38595      0.34159     15.55212         0.025954     -0.100388      0.194386
     17.05970      0.86439     12.82927         0.013028      0.020330      0.063388
     17.07479      3.28221     13.23415         0.091687     -0.069368      0.039402
      2.25587      6.64877     18.00794         0.089644      0.153168     -0.204592
      1.25264      4.75093     17.14938        -0.016752     -0.104679      0.106282
     18.87917      6.93242     16.67365         0.146860      0.084616      0.004152
      4.60143     10.24775     19.82716         0.313218     -0.069541      0.192002
      0.05066     10.76561     18.19956        -0.362665     -0.079041     -0.177885
      1.09437     12.59465     19.14465         0.120265     -0.033538     -0.006189
      0.69624     21.19585     12.97087        -0.091835      0.199172      0.000682
      3.40418     17.97406     15.68380        -0.222434      0.113503     -0.041207
      3.52630     20.36656     16.17726        -0.104717      0.054109     -0.167068
      1.06184      2.01814     13.31951        -0.213458     -0.143301     -0.160988
      3.31865      0.96781     16.86862         0.001049     -0.103468      0.016707
      3.95544      3.28648     17.17620        -0.062739     -0.018966     -0.077782
     19.96639      8.92089     13.78705         0.035888      0.103207      0.059994
     20.89238      6.83745     13.49133        -0.147475     -0.167728      0.026325
      3.37616      8.28275     14.97196        -0.185927     -0.050889      0.099412
     17.90781     13.11097     14.00315         0.228692     -0.069410     -0.092205
      1.32565     12.51671     15.25273        -0.052755     -0.083097      0.039761
      0.41094     14.61990     15.42758        -0.006943      0.173287      0.040154
     17.47725      2.44570      7.65624         0.063084      0.084187      0.210932
     14.94259      1.02258      3.60527         0.158853      0.014591     -0.055222
     15.01214      3.37503      4.22400         0.001762      0.069069     -0.025447
     17.56958      4.72697      7.98124        -0.057231     -0.177264      0.309368
     14.89804      5.10855      4.59807         0.086741     -0.045957      0.007653
     14.96109      7.50986      4.78126         0.155977     -0.029512      0.025882
     20.15898     10.93374     10.89711         0.020019      0.042585      0.152258
     19.20828      9.07175      9.97466        -0.119427     -0.287140      0.047138
     16.40630     11.55749      7.90333        -0.042803      0.059622     -0.117014
      1.41674     14.48500     12.41561        -0.036171     -0.017000      0.033008
     18.23127     15.07433     10.55000         0.024043     -0.040004      0.013556
     19.38327     16.96513     11.30618        -0.018787      0.213162      0.078445
     19.35661      4.50488      5.21853        -0.135408      0.118374      0.085812
      0.12660      0.86019      7.97572        -0.182050      0.098340      0.014226
     -0.09610      3.12003      8.93254        -0.035621      0.051558      0.019843
     19.34166      6.29202      5.90970        -0.121530     -0.023372     -0.081795
     -0.34052      5.09586      9.74189         0.038212     -0.044102      0.000641
      0.33354      7.38310     10.20185         0.007927      0.095701      0.156007
     18.40203     13.51731      4.89276        -0.046467      0.068851     -0.068525
     18.93086     11.28491      5.13562        -0.109603     -0.171654      0.066644
      0.61594     12.32114      8.07700        -0.072003      0.039062      0.013299
     17.41623     17.91052      3.94807         0.027560     -0.004218      0.064490
     20.20135     16.65975      7.75107        -0.071951     -0.111682      0.070914
     19.18529     18.75177      7.78275        -0.050619      0.130415     -0.005783
     13.86815     19.28169     10.71638         0.080135     -0.066534      0.045195
     19.29547     21.11861      3.44849        -0.071668     -0.097448     -0.125405
     12.87647      1.21788      2.65618        -0.105625      0.059493     -0.009471
     13.64754     11.52282      4.52760        -0.063795     -0.099873      0.342865
      9.55702      2.60682      2.78592         0.039523     -0.153820     -0.302487
     10.45909     12.78064      5.30844         0.026267     -0.098439     -0.017536
     10.17603      5.11328     15.98002         0.085866      0.398745     -0.335769
     10.81529     15.62788     17.81725        -0.026509     -0.164748     -0.114591
      7.05642      6.40574     15.43336         0.063707     -0.060368     -0.046351
      7.27393     16.65553     18.21864         0.008379     -0.003581      0.030029
      6.78096      8.89126      7.48419        -0.104656     -0.036473     -0.019370
      7.52081     19.41817      9.15344         0.140426      0.136870      0.120260
      3.47947     10.17713      8.78911        -0.047568      0.210641     -0.245099
      4.10627     20.52726     10.43121         0.046930      0.246094      0.106946
      1.74231     12.19805      1.91896         0.188752      0.016318     -0.106350
      1.19760      1.68957      3.35113         0.097775      0.062798      0.161541
      3.61853     12.73627     20.30375        -0.029259      0.459212      0.078614
      4.31537      1.95979      1.98439         0.121305     -0.031393     -0.013785
     19.12655     15.43846     14.60423         0.240687      0.088192      0.102784
     20.00858      4.53429     16.05850         0.022969      0.078059      0.233079
      0.61173     16.97769     12.61891        -0.168706      0.346547     -0.213554
      2.04476      5.95093     14.39299        -0.045405     -0.022494     -0.011703
     17.43645     19.79708      5.92276         0.018745      0.085086     -0.096454
     17.22114      8.94243      8.09672        -0.015472      0.216497      0.162912
     19.51647      0.50901      4.19459         0.171142      0.378788      0.463977
     20.53538     10.15259      7.07418        -0.023109      0.428210     -0.128853
     12.41538      2.33672      4.68940         0.042830     -0.019704     -0.026725
     13.69051      0.99069      0.42999        -0.237082      0.259862      0.348477
     13.21191      9.75327      6.04725         0.012879     -0.130718      0.402443
     13.95896     12.58198      2.42671        -0.097650     -0.257440      0.175911
      9.52434      4.43930      1.28970         0.050809     -0.060396      0.006108
      9.35865      1.46803      4.84658         0.041408     -0.597559      0.295323
     10.24827     11.79280      3.17834         0.059068     -0.005490     -0.320216
     10.15774     12.95149      7.66211         0.137097     -0.433481     -0.682874
     10.09426      6.17719     18.08414         0.173562      0.241106     -1.174583
     10.88164      4.89295     13.69843        -0.534207      0.803018      1.107841
     10.66817     13.89504     19.41617        -0.006668     -0.096364      0.255142
     11.07415     16.63341     15.68874        -0.108091     -0.232783      0.133733
      6.89915      8.23105     13.95085         0.154020     -0.011429      0.154821
      6.70739      5.28946     17.49427         0.317107      0.222624     -0.139674
      7.26199     15.77590     16.02803        -0.043454     -0.020568      0.087634
      7.07939     16.67970     20.57885         0.108517     -0.354866     -0.784860
      6.84552     10.03292      9.55753         0.006187      0.061375      0.098634
      7.07977      8.64947      5.14715         0.015152     -0.156958     -0.012204
      7.51648     17.70285     10.78408        -0.028923     -0.052452      0.175257
      7.61659     20.40059      7.01037        -0.044820      0.369227     -0.220197
      3.19605     11.95382      7.26859         0.054797      0.028802     -0.120137
      3.84122      9.13197     10.90581         0.038228      0.061753     -0.171477
      3.88389     19.41909      8.34810        -0.001449     -0.052164      0.739273
      4.31643     20.78306     12.76814        -0.023164     -0.100878     -0.184816
      2.91394     13.27767      3.66976        -0.030826      0.042930      0.091997
      0.07953     12.03309      0.22089        -0.377591     -0.276628     -0.354989
      2.29811      0.19155      4.82978         0.088484     -0.053326      0.129616
      0.05784      2.40406      1.41309        -0.094009      0.321207     -0.239721
      2.97425     14.49772     18.87179         0.102541      0.086072      0.537141
      4.96188     11.66216      0.66671        -0.034288      0.184879     -0.064915
      3.19939      1.16168      0.04988        -0.093381      0.028169     -0.160558
      5.81742      1.82281      3.81592         0.248350      0.355608      0.367018
     -0.61384     16.63321     15.97165         0.310837     -0.042250      0.219742
     17.13285     15.10938     13.35706         0.483364      0.377941      0.188205
     -0.07112      2.78602     17.12674         0.046750     -0.018635      0.024892
     18.33196      5.56968     14.74522         0.263479     -0.177974      0.136271
     21.06461     18.80760     11.35832        -0.075982     -0.022310      0.070800
      2.07358     15.80183     14.05866        -0.195369      0.511566     -0.086405
      0.50128      4.87619     12.94340         0.448857      0.049234      0.588502
      3.99008      6.10571     15.72624         0.102288      0.233128      0.264851
     18.20877     20.74442      7.95837        -0.063654      0.097566     -0.100935
     16.01206     19.57224      4.04106         0.163272      0.172414      0.122737
     17.97046      7.24276      9.56716         0.023890     -0.063885      0.225936
     16.20335      9.91998      6.20752        -0.119148      0.213832     -0.081367
     18.54630      2.41034      3.27618        -0.157726      0.379114     -0.173595
     20.64876     20.27532      5.57934         0.064109      0.041692      0.093536
     19.20160      9.19336      5.38610        -0.718849      0.152441     -0.937159
      0.60632     10.21639      9.01007         1.474202      1.419348      1.637610
     14.02772     17.42910      5.39229        -0.042223      0.021689      0.135885
     15.96623     16.46229      5.70398         0.059141     -0.032336     -0.013886
     14.83478     16.13166      3.86884        -0.076106     -0.032534      0.020595
     11.88339     15.34034     11.48991        -0.099064     -0.046471      0.029529
     11.42506     14.51257      9.53207         0.141561      0.025298     -0.001053
     13.21463     13.84973     10.64885         0.018420     -0.004173     -0.001909
     11.96582     17.94378      7.19353         0.031404      0.139011      0.047162
     10.00421     18.56552      6.43738        -0.080063     -0.073761      0.039264
     10.18417     16.83492      7.73665         0.006730      0.027129      0.168942
     13.32024     18.53913      0.12129         0.091929     -0.066204      0.142634
     14.19108     17.11991      1.53064        -0.006350     -0.045804      0.046329
     12.12621     16.89528      0.84347        -0.172870     -0.133123     -0.201721
     11.08028      0.29772     18.32166        -0.043991     -0.022439     -0.011360
     12.96325     -0.50062     19.10312         0.003129     -0.041776      0.176301
     12.19882     20.12049     17.16237         0.103227      0.010239      0.073415
      8.44233     19.32992      3.43526        -0.052101     -0.048055     -0.282382
      7.69494     18.76409      1.42971         0.166628     -0.092539      0.104293
      9.57223     17.95747      2.23304         0.116211     -0.079533      0.015201
      7.59218      0.86281     20.32782         0.055049     -0.030270     -0.170283
      5.88247      1.02495     18.95404         0.099987      0.018794     -0.094695
      5.99114     20.67369     20.42412        -0.043828      0.154050     -0.101567
     10.16497      1.27155     13.34683         0.334119     -0.146750      0.094169
     11.17430     -0.06917     14.77540         0.336400     -0.095365     -0.011472
      9.18357     20.75048     14.01914        -0.148896     -0.189941      0.035909
      8.65247      3.99161      9.56971         0.024415     -0.228915      0.099164
     10.26821      3.00587     10.68275        -0.059062     -0.011254     -0.027082
      9.76345      2.37612      8.64616         0.153597     -0.088268      0.150897
      6.06654      1.90639     16.20899        -0.052242     -0.143051     -0.506455
      5.07455      1.25900     14.36525         0.123938      0.061142      0.159411
      7.05042      0.53192     14.86509         0.024630     -0.379383      0.157911
      4.83566      5.10540     12.12346        -0.124667     -0.208465     -0.083555
      2.91985      4.11988     11.73059        -0.027080     -0.054479      0.003533
      4.39523      3.21408     13.03022         0.026900     -0.057590      0.202789
      7.22716      4.45951      5.32608         0.065692      0.126110      0.200541
      7.46114      2.95151      6.88223        -0.010816     -0.018837     -0.137452
      5.47202      3.46118      6.05898        -0.154177     -0.001094     -0.019959
     -0.59858      7.24867      4.50419         0.183337     -0.091407     -0.058921
      0.93360      7.37074      3.00991         0.091178      0.110458      0.051023
     -0.77724      5.99376      2.75945         0.003222      0.052364      0.115685
      3.21448      5.72318      9.88329        -0.054940      0.174840      0.218250
      1.77516      4.54211      8.81514        -0.062039     -0.132422     -0.111622
      3.79978      4.76186      8.02676        -0.076209     -0.078984     -0.068028
      6.14192      6.95850      3.56023         0.036411     -0.110788     -0.099161
      4.20220      7.54501      4.43117        -0.076678      0.173407     -0.003074
      5.07663      5.70470      5.03618        -0.051112      0.084600     -0.269220
     -0.01475      8.61685     20.82197         0.211642     -0.262062      0.009382
      1.56294      7.18455     -0.98089         0.008172     -0.086090      0.138862
      0.23268      6.78617      0.68683         0.224715      0.163495     -0.280565
     19.43903      9.40605     19.12203        -0.069024      0.057807     -0.003730
     19.68850     10.31701     17.14313         0.075739     -0.067862     -0.089312
     18.22053      8.74773     17.42911         0.166743      0.003325      0.168495
      4.87631      8.19930     19.99305        -0.294335     -0.012255     -0.188033
      3.74600      6.79606     18.84804        -0.015817     -0.348584      0.226634
      4.78032      8.36939     17.78591        -0.374901     -0.004484      0.053169
      3.31344     11.48603     14.27974        -0.016429      0.161544     -0.031856
      2.61440     11.54854     16.34052        -0.093306      0.003158      0.231685
      4.04041     10.05174     15.74448         0.048584     -0.020233     -0.064601
     17.29865     11.27336     13.23178        -0.011051      0.017511      0.157104
     18.82968      9.88615     12.62881        -0.040471     -0.086607     -0.123167
     18.03456      9.80405     14.67188         0.011783     -0.063924      0.069544
     16.21920     14.17255      9.87297        -0.007200      0.098202     -0.060635
     17.79227     14.93504      8.53227         0.111819     -0.040589      0.016642
     16.26311     13.65273      7.73329        -0.003890      0.000476     -0.007524
      1.79693     12.53521     12.37712         0.050615      0.099327     -0.051193
      0.37537     11.06718     11.81128        -0.120368     -0.222733      0.168252
      1.39056     12.20378     10.26135         0.114830      0.068140     -0.139947
      1.28887     15.68662      6.98573        -0.072924      0.081261     -0.158306
      0.11744     15.69278      8.84084        -0.059714     -0.060157     -0.029686
      1.56991     14.15491      8.51111         0.172963     -0.075406     -0.148534
     17.50037     16.21606      2.65153         0.174691      0.092830      0.024606
     19.03517     14.72932      3.05680         0.153270      0.033353      0.021534
     17.06216     14.59526      4.03362         0.171686      0.029600     -0.162829
 -----------------------------------------------------------------------------------
    total drift:                                0.004228     -0.005538      0.004422


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4572.1264279294 eV

  energy  without entropy=    -4572.2745557715  energy(sigma->0) =    -4572.17580388
 
 d Force = 0.1157254E+00[-0.166E-02, 0.233E+00]  d Energy = 0.1155500E+00 0.175E-03
 d Force = 0.5001328E+03[ 0.499E+03, 0.501E+03]  d Ewald  = 0.5001333E+03-0.427E-03


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   64(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3160
 total energy-change (2. order) : 0.2928814E+00  (-0.4279887E+02)
 number of electron    2497.9999991 magnetization 
 augmentation part      162.7139357 magnetization 

  free energy =  -0.457183354152E+04  energy without entropy=  -0.457198200544E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   64(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3504
 total energy-change (2. order) :-0.9112942E+00  (-0.1102815E+01)
 number of electron    2497.9999990 magnetization 
 augmentation part      162.7847563 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8631
  0.8631

  free energy =  -0.457274483573E+04  energy without entropy=  -0.457289298365E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   64(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3704
 total energy-change (2. order) : 0.3374016E-01  (-0.2292585E-01)
 number of electron    2497.9999990 magnetization 
 augmentation part      162.7357225 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4111
  1.0883  1.7340

  free energy =  -0.457271109557E+04  energy without entropy=  -0.457286041954E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   64(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) :-0.4714057E-02  (-0.1944182E-01)
 number of electron    2497.9999990 magnetization 
 augmentation part      162.7001067 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2820
  2.1915  0.8273  0.8273

  free energy =  -0.457271580963E+04  energy without entropy=  -0.457286398148E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   64(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3624
 total energy-change (2. order) :-0.1031873E-02  (-0.3900982E-02)
 number of electron    2497.9999990 magnetization 
 augmentation part      162.7075667 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3089
  2.3661  0.9874  0.9874  0.8948

  free energy =  -0.457271684150E+04  energy without entropy=  -0.457286618536E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   64(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3528
 total energy-change (2. order) : 0.1696286E-02  (-0.2027130E-02)
 number of electron    2497.9999990 magnetization 
 augmentation part      162.7101183 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2328
  2.3932  1.0570  1.0570  0.8283  0.8283

  free energy =  -0.457271514521E+04  energy without entropy=  -0.457286366401E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   64(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) :-0.6902960E-04  (-0.4316279E-03)
 number of electron    2497.9999990 magnetization 
 augmentation part      162.7122927 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2143
  2.3896  0.9507  0.9507  1.1835  1.1835  0.6279

  free energy =  -0.457271521424E+04  energy without entropy=  -0.457286461040E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   64(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) : 0.1023167E-03  (-0.6082151E-04)
 number of electron    2497.9999990 magnetization 
 augmentation part      162.7156864 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2202
  2.4542  1.0656  1.0656  1.2612  1.2612  0.8559  0.5774

  free energy =  -0.457271511193E+04  energy without entropy=  -0.457286420089E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   64(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) :-0.8362433E-05  (-0.4793659E-04)
 number of electron    2497.9999990 magnetization 
 augmentation part      162.7145451 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2151
  2.5068  1.5463  1.0267  1.0267  1.1531  0.9392  0.9392  0.5831

  free energy =  -0.457271512029E+04  energy without entropy=  -0.457286423518E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   64(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3432
 total energy-change (2. order) :-0.1306675E-04  (-0.7445973E-05)
 number of electron    2497.9999990 magnetization 
 augmentation part      162.7143149 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2074
  2.5749  1.7968  1.0608  1.0608  1.1450  0.9619  0.9619  0.7233  0.5814

  free energy =  -0.457271513336E+04  energy without entropy=  -0.457286428757E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   64(  11)  ---------------------------------------



 eigenvalue-minimisations  :  2624
 total energy-change (2. order) :-0.1083943E-04  (-0.2589646E-05)
 number of electron    2497.9999990 magnetization 
 augmentation part      162.7142732 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2097
  2.6137  1.8591  1.3835  1.0397  1.0397  0.9157  0.9157  0.9548  0.7907  0.5849

  free energy =  -0.457271514419E+04  energy without entropy=  -0.457286428857E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   64(  12)  ---------------------------------------



 eigenvalue-minimisations  :  2184
 total energy-change (2. order) :-0.1189078E-04  (-0.3818295E-06)
 number of electron    2497.9999990 magnetization 
 augmentation part      162.7142243 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2488
  2.5905  2.2300  1.0431  1.0431  1.4238  1.2861  0.9357  0.9357  0.9603  0.7029
  0.5855

  free energy =  -0.457271515609E+04  energy without entropy=  -0.457286430695E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   64(  13)  ---------------------------------------



 eigenvalue-minimisations  :  2224
 total energy-change (2. order) :-0.1327612E-04  (-0.2965492E-06)
 number of electron    2497.9999990 magnetization 
 augmentation part      162.7143027 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2733
  2.8186  2.4689  1.4249  1.4249  1.0279  1.0279  0.9440  0.9440  0.9595  0.9595
  0.5849  0.6951

  free energy =  -0.457271516936E+04  energy without entropy=  -0.457286432497E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   64(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2184
 total energy-change (2. order) :-0.9613694E-05  (-0.1730492E-06)
 number of electron    2497.9999990 magnetization 
 augmentation part      162.7143027 magnetization 

  free energy =  -0.457271517898E+04  energy without entropy=  -0.457286433641E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0519       2 -56.1112       3 -56.0042       4 -55.8266       5 -55.7990
       6 -56.2706       7 -58.1753       8 -58.2191       9 -56.2283      10 -55.9083
      11 -55.9879      12 -55.7638      13 -55.7814      14 -55.9712      15 -58.0658
      16 -58.0719      17 -56.3493      18 -54.9800      19 -54.8706      20 -55.0900
      21 -55.6476      22 -55.6078      23 -55.6234      24 -55.6023      25 -54.9908
      26 -54.7223      27 -54.9049      28 -54.9303      29 -60.3743      30 -60.3554
      31 -55.6422      32 -55.7907      33 -55.6883      34 -55.3341      35 -55.4667
      36 -55.9666      37 -57.7888      38 -57.9915      39 -56.0594      40 -55.7607
      41 -55.8880      42 -55.6654      43 -55.7181      44 -55.8891      45 -58.0806
      46 -58.1017      47 -56.4479      48 -55.1140      49 -54.9334      50 -55.2700
      51 -55.8831      52 -55.8451      53 -55.7725      54 -55.7561      55 -55.1050
      56 -54.8631      57 -55.0108      58 -56.3854      59 -60.3609      60 -60.6121
      61 -55.9580      62 -56.0028      63 -55.8710      64 -55.7527      65 -55.7195
      66 -56.2118      67 -58.1030      68 -58.1396      69 -56.1954      70 -55.8614
      71 -55.9808      72 -55.6802      73 -55.6783      74 -55.9294      75 -58.0656
      76 -58.0994      77 -56.4099      78 -55.0905      79 -54.9332      80 -55.2265
      81 -55.8649      82 -55.8533      83 -55.8724      84 -55.9048      85 -55.2418
      86 -55.0248      87 -55.1877      88 -56.4177      89 -60.6739      90 -60.4450
      91 -55.7006      92 -55.8202      93 -55.7198      94 -55.4780      95 -55.5335
      96 -56.0493      97 -57.8844      98 -57.9815      99 -56.1725     100 -55.8797
     101 -56.0298     102 -55.6879     103 -55.7570     104 -55.9708     105 -58.1300
     106 -58.2010     107 -56.4690     108 -55.1620     109 -55.0009     110 -55.4148
     111 -55.9799     112 -55.9105     113 -55.7873     114 -55.8202     115 -55.0651
     116 -54.9289     117 -55.0371     118 -56.3392     119 -60.4654     120 -60.6229
     121 -55.9475     122 -55.9836     123 -55.8288     124 -55.7535     125 -55.7393
     126 -56.1596     127 -58.0644     128 -58.1768     129 -56.1062     130 -55.7453
     131 -55.8592     132 -55.6479     133 -55.5801     134 -55.7871     135 -57.8902
     136 -58.0277     137 -56.3899     138 -55.0503     139 -54.8654     140 -55.2769
     141 -55.8866     142 -55.8177     143 -55.8790     144 -55.8646     145 -55.1741
     146 -55.0653     147 -55.1772     148 -56.4018     149 -60.5371     150 -60.5570
     151 -55.6326     152 -55.6610     153 -55.4954     154 -55.3733     155 -55.4320
     156 -55.8904     157 -57.9410     158 -57.8764     159 -56.0133     160 -55.7525
     161 -55.9245     162 -55.5401     163 -55.5985     164 -55.8185     165 -57.9718
     166 -58.0889     167 -56.4349     168 -55.0410     169 -54.8207     170 -55.2909
     171 -55.8924     172 -55.8810     173 -55.8520     174 -55.7872     175 -55.3382
     176 -54.8834     177 -55.0560     178 -56.5000     179 -60.4641     180 -60.5966
     181 -55.9296     182 -56.1010     183 -55.9415     184 -55.6964     185 -55.6949
     186 -56.2549     187 -58.0333     188 -58.2252     189 -56.2500     190 -55.8518
     191 -56.0071     192 -55.7336     193 -55.7248     194 -55.9399     195 -58.0563
     196 -58.1891     197 -56.5075     198 -55.0719     199 -54.9296     200 -55.2713
     201 -55.8805     202 -55.8966     203 -55.9234     204 -55.8852     205 -55.1600
     206 -55.2314     207 -55.2109     208 -56.4793     209 -60.7321     210 -60.5000
     211 -55.9745     212 -56.0731     213 -55.9223     214 -55.7535     215 -55.6905
     216 -56.2360     217 -58.1129     218 -58.2036     219 -56.1106     220 -55.7831
     221 -55.8966     222 -55.5492     223 -55.4807     224 -55.7988     225 -57.9501
     226 -58.1033     227 -56.5267     228 -55.1028     229 -54.9994     230 -55.2811
     231 -55.7908     232 -55.8553     233 -55.8555     234 -55.7313     235 -54.9914
     236 -55.1028     237 -55.2144     238 -56.4588     239 -60.3898     240 -60.3701
     241 -55.9760     242 -56.0068     243 -55.8775     244 -55.7552     245 -55.7453
     246 -56.1807     247 -58.0810     248 -58.1368     249 -56.1655     250 -55.8439
     251 -55.9696     252 -55.7275     253 -55.7281     254 -55.8961     255 -57.9782
     256 -58.0633     257 -56.3426     258 -55.0491     259 -54.8231     260 -55.2193
     261 -55.8234     262 -55.8259     263 -55.9404     264 -55.9851     265 -55.3715
     266 -55.0141     267 -55.2123     268 -56.4363     269 -60.6369     270 -60.3602
     271 -55.8992     272 -55.9691     273 -55.8213     274 -55.7137     275 -55.6666
     276 -56.0987     277 -58.0929     278 -58.1620     279 -55.9652     280 -55.6626
     281 -55.7835     282 -55.5269     283 -55.5330     284 -55.8170     285 -58.0776
     286 -57.9526     287 -56.4292     288 -55.0346     289 -54.9174     290 -55.2569
     291 -55.8860     292 -55.8459     293 -55.8598     294 -55.8623     295 -55.2422
     296 -54.9677     297 -55.0739     298 -56.4552     299 -60.4764     300 -60.6012
     301 -55.8671     302 -56.0043     303 -55.8834     304 -55.5978     305 -55.6271
     306 -56.1338     307 -58.0500     308 -58.2194     309 -56.1431     310 -55.8057
     311 -55.9367     312 -55.6574     313 -55.6352     314 -55.8609     315 -57.9706
     316 -58.0586     317 -56.3744     318 -54.9814     319 -54.7613     320 -55.2443
     321 -55.7857     322 -55.7100     323 -55.8536     324 -55.8893     325 -55.2074
     326 -55.0599     327 -55.2245     328 -56.4349     329 -60.5764     330 -60.4191
     331 -55.7689     332 -55.8010     333 -55.6801     334 -55.6076     335 -55.5800
     336 -56.0354     337 -57.9477     338 -57.9376     339 -55.9199     340 -55.5887
     341 -55.7430     342 -55.5178     343 -55.5240     344 -55.7571     345 -57.9628
     346 -57.9345     347 -56.4861     348 -55.0229     349 -54.9444     350 -55.2832
     351 -55.8580     352 -55.8150     353 -55.7738     354 -55.7717     355 -55.2273
     356 -54.9027     357 -55.0037     358 -56.4398     359 -60.4645     360 -60.5645
     361 -39.1348     362 -38.8352     363 -38.9860     364 -39.0730     365 -38.9418
     366 -38.7346     367 -38.0861     368 -38.1332     369 -38.0375     370 -38.1164
     371 -38.1713     372 -38.2269     373 -38.7587     374 -38.3025     375 -38.7128
     376 -38.8313     377 -38.8453     378 -38.7303     379 -38.1777     380 -38.1606
     381 -38.2489     382 -38.0423     383 -38.2760     384 -38.0534     385 -38.9517
     386 -38.8180     387 -38.8926     388 -38.8873     389 -38.8092     390 -38.5341
     391 -38.2200     392 -38.2923     393 -38.1954     394 -38.1761     395 -38.2268
     396 -38.3586     397 -38.7460     398 -38.4349     399 -38.7751     400 -38.9007
     401 -38.7981     402 -38.7695     403 -38.2638     404 -38.2246     405 -38.4487
     406 -38.1464     407 -38.1144     408 -37.9276     409 -38.8121     410 -38.7746
     411 -38.9732     412 -38.7571     413 -38.8932     414 -38.6183     415 -38.2488
     416 -38.3115     417 -38.2216     418 -38.1625     419 -38.2022     420 -38.3637
     421 -38.6106     422 -38.3084     423 -38.5476     424 -38.7376     425 -38.6033
     426 -38.6318     427 -38.2194     428 -38.1096     429 -38.3313     430 -38.2683
     431 -38.1088     432 -38.0514     433 -38.8415     434 -38.7676     435 -38.9553
     436 -38.7584     437 -38.9640     438 -38.6771     439 -38.4351     440 -38.1652
     441 -38.1706     442 -38.2255     443 -38.2723     444 -38.1777     445 -38.9448
     446 -38.8838     447 -38.9371     448 -38.7625     449 -38.7417     450 -38.3780
     451 -38.0940     452 -37.9672     453 -38.1276     454 -37.9897     455 -38.0755
     456 -38.1606     457 -38.9653     458 -38.7022     459 -38.9044     460 -38.9269
     461 -38.8761     462 -38.6749     463 -38.2600     464 -38.2706     465 -38.1456
     466 -38.5106     467 -38.2193     468 -38.2520     469 -38.9267     470 -38.6843
     471 -38.7416     472 -38.7819     473 -38.6089     474 -38.4597     475 -38.2217
     476 -38.1316     477 -38.2058     478 -38.1156     479 -38.1798     480 -38.0756
     481 -38.9054     482 -38.7548     483 -38.8980     484 -38.8867     485 -38.9296
     486 -38.7414     487 -38.1733     488 -38.2430     489 -38.2446     490 -38.2652
     491 -38.2044     492 -38.4063     493 -38.8416     494 -38.5327     495 -38.6492
     496 -38.7298     497 -38.5056     498 -38.5047     499 -38.2076     500 -37.9979
     501 -38.1949     502 -38.1699     503 -38.1326     504 -38.0425     505 -38.2631
     506 -41.0928     507 -71.6686     508 -71.5315     509 -71.3735     510 -71.5548
     511 -71.4877     512 -71.4985     513 -71.3781     514 -71.6008     515 -71.5556
     516 -71.4253     517 -71.4137     518 -71.5394     519 -71.5277     520 -71.6215
     521 -71.5050     522 -71.4442     523 -71.5395     524 -71.4680     525 -71.5728
     526 -71.4424     527 -71.5751     528 -71.4654     529 -71.1753     530 -71.5150
     531 -76.8706     532 -76.8516     533 -76.7613     534 -76.7286     535 -76.6352
     536 -76.4909     537 -76.7675     538 -76.7676     539 -76.8335     540 -76.7701
     541 -76.7736     542 -76.7256     543 -76.6118     544 -76.6165     545 -76.8642
     546 -76.7821     547 -76.8388     548 -76.7474     549 -76.7123     550 -76.5424
     551 -76.5642     552 -76.6276     553 -76.6605     554 -76.6477     555 -76.8815
     556 -76.7361     557 -76.8690     558 -76.7186     559 -76.8706     560 -76.7980
     561 -76.7566     562 -76.6047     563 -76.8027     564 -76.7379     565 -76.7109
     566 -76.6429     567 -76.8609     568 -76.7708     569 -76.5339     570 -76.8125
     571 -76.8878     572 -76.7445     573 -76.7484     574 -76.6353     575 -76.5920
     576 -76.5907     577 -76.5736     578 -76.5725     579 -82.3583     580 -82.2741
     581 -82.2496     582 -82.3631     583 -82.2317     584 -82.2407     585 -82.4572
     586 -82.5005     587 -82.6131     588 -82.1788     589 -82.0953     590 -82.3686
     591 -82.4131     592 -82.2198     593 -82.2783     594 -82.6637     595 -82.4536
     596 -82.7025     597 -82.4529     598 -82.4646     599 -82.6191     600 -82.2042
     601 -82.2997     602 -82.4502     603 -82.4574     604 -82.3333     605 -82.5905
     606 -82.3414     607 -82.4069     608 -82.5792     609 -82.6800     610 -82.3019
     611 -82.4830     612 -82.4668     613 -82.2563     614 -82.3049     615 -82.4360
     616 -82.5582     617 -82.3852     618 -82.7542     619 -82.6779     620 -82.7359
     621 -82.2235     622 -82.4228     623 -82.2967     624 -82.3612     625 -82.3991
     626 -82.1599     627 -82.2081     628 -82.2767     629 -82.2025     630 -82.3233
     631 -82.7350     632 -82.3482     633 -82.4681     634 -82.5250     635 -82.5637
     636 -82.3347     637 -82.4042     638 -82.2571     639 -82.2181     640 -82.3660
     641 -82.3816     642 -82.4099     643 -82.5877     644 -82.4001     645 -82.4055
     646 -82.4165     647 -82.5836     648 -82.3777     649 -82.3536     650 -82.2603
 
 
 
 E-fermi :  -1.4637     XC(G=0):  -6.5055     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.2153      2.00000
      2     -28.9651      2.00000
      3     -28.9299      2.00000
      4     -28.9179      2.00000
      5     -28.8999      2.00000
      6     -28.8980      2.00000
      7     -28.8773      2.00000
      8     -28.8772      2.00000
      9     -28.8435      2.00000
     10     -28.8255      2.00000
     11     -28.8067      2.00000
     12     -28.7711      2.00000
     13     -28.7349      2.00000
     14     -28.7061      2.00000
     15     -28.6971      2.00000
     16     -28.6819      2.00000
     17     -28.6739      2.00000
     18     -28.6586      2.00000
     19     -28.6352      2.00000
     20     -28.6194      2.00000
     21     -28.6049      2.00000
     22     -28.5638      2.00000
     23     -28.5575      2.00000
     24     -28.5225      2.00000
     25     -26.9314      2.00000
     26     -26.7583      2.00000
     27     -26.6820      2.00000
     28     -26.6759      2.00000
     29     -26.6543      2.00000
     30     -26.6376      2.00000
     31     -26.6107      2.00000
     32     -26.6092      2.00000
     33     -26.6089      2.00000
     34     -26.5755      2.00000
     35     -26.5743      2.00000
     36     -26.5665      2.00000
     37     -26.5560      2.00000
     38     -26.5449      2.00000
     39     -26.5253      2.00000
     40     -26.5224      2.00000
     41     -26.4906      2.00000
     42     -26.4792      2.00000
     43     -26.4733      2.00000
     44     -26.4630      2.00000
     45     -26.4535      2.00000
     46     -26.4432      2.00000
     47     -26.4194      2.00000
     48     -26.4154      2.00000
     49     -26.4140      2.00000
     50     -26.4077      2.00000
     51     -26.4071      2.00000
     52     -26.4046      2.00000
     53     -26.3902      2.00000
     54     -26.3874      2.00000
     55     -26.3846      2.00000
     56     -26.3764      2.00000
     57     -26.3718      2.00000
     58     -26.3507      2.00000
     59     -26.3481      2.00000
     60     -26.3308      2.00000
     61     -26.3169      2.00000
     62     -26.3141      2.00000
     63     -26.3016      2.00000
     64     -26.2954      2.00000
     65     -26.2879      2.00000
     66     -26.2742      2.00000
     67     -26.2719      2.00000
     68     -26.2677      2.00000
     69     -26.2439      2.00000
     70     -26.2209      2.00000
     71     -26.2068      2.00000
     72     -26.1563      2.00000
     73     -23.2535      2.00000
     74     -23.2129      2.00000
     75     -23.2128      2.00000
     76     -23.1887      2.00000
     77     -23.1778      2.00000
     78     -23.1772      2.00000
     79     -23.1624      2.00000
     80     -23.1540      2.00000
     81     -23.1536      2.00000
     82     -23.1369      2.00000
     83     -23.1260      2.00000
     84     -23.1243      2.00000
     85     -23.1144      2.00000
     86     -23.0939      2.00000
     87     -23.0938      2.00000
     88     -23.0523      2.00000
     89     -23.0358      2.00000
     90     -23.0128      2.00000
     91     -23.0104      2.00000
     92     -22.9984      2.00000
     93     -22.9876      2.00000
     94     -22.9721      2.00000
     95     -22.9530      2.00000
     96     -22.9412      2.00000
     97     -22.8222      2.00000
     98     -22.7897      2.00000
     99     -22.7828      2.00000
    100     -22.7712      2.00000
    101     -22.7703      2.00000
    102     -22.7673      2.00000
    103     -22.7651      2.00000
    104     -22.7619      2.00000
    105     -22.7521      2.00000
    106     -22.7425      2.00000
    107     -22.7264      2.00000
    108     -22.7245      2.00000
    109     -22.7140      2.00000
    110     -22.6533      2.00000
    111     -22.6420      2.00000
    112     -22.6308      2.00000
    113     -22.5860      2.00000
    114     -22.5601      2.00000
    115     -22.5528      2.00000
    116     -22.5428      2.00000
    117     -22.5403      2.00000
    118     -22.5135      2.00000
    119     -22.5130      2.00000
    120     -22.4536      2.00000
    121     -20.4525      2.00000
    122     -20.3842      2.00000
    123     -20.3785      2.00000
    124     -20.3740      2.00000
    125     -20.3476      2.00000
    126     -20.3069      2.00000
    127     -20.2977      2.00000
    128     -20.2842      2.00000
    129     -20.2769      2.00000
    130     -20.2754      2.00000
    131     -20.2584      2.00000
    132     -20.2354      2.00000
    133     -20.2217      2.00000
    134     -20.2170      2.00000
    135     -20.2120      2.00000
    136     -20.2077      2.00000
    137     -20.2029      2.00000
    138     -20.1650      2.00000
    139     -20.1613      2.00000
    140     -20.1586      2.00000
    141     -20.1548      2.00000
    142     -20.1344      2.00000
    143     -20.0829      2.00000
    144     -19.9648      2.00000
    145     -18.6738      2.00000
    146     -18.5506      2.00000
    147     -18.5318      2.00000
    148     -18.5229      2.00000
    149     -18.5192      2.00000
    150     -18.4751      2.00000
    151     -18.4677      2.00000
    152     -18.4575      2.00000
    153     -18.4471      2.00000
    154     -18.4238      2.00000
    155     -18.4029      2.00000
    156     -18.3843      2.00000
    157     -18.3211      2.00000
    158     -18.2549      2.00000
    159     -18.2394      2.00000
    160     -18.2291      2.00000
    161     -18.2190      2.00000
    162     -18.1984      2.00000
    163     -18.1828      2.00000
    164     -18.1694      2.00000
    165     -18.1563      2.00000
    166     -18.1476      2.00000
    167     -18.0989      2.00000
    168     -18.0630      2.00000
    169     -17.9394      2.00000
    170     -17.9305      2.00000
    171     -17.9204      2.00000
    172     -17.8937      2.00000
    173     -17.8747      2.00000
    174     -17.8430      2.00000
    175     -17.8240      2.00000
    176     -17.8206      2.00000
    177     -17.7913      2.00000
    178     -17.7764      2.00000
    179     -17.7528      2.00000
    180     -17.7364      2.00000
    181     -17.6022      2.00000
    182     -17.5806      2.00000
    183     -17.5556      2.00000
    184     -17.5424      2.00000
    185     -17.5285      2.00000
    186     -17.5144      2.00000
    187     -17.5000      2.00000
    188     -17.4913      2.00000
    189     -17.4793      2.00000
    190     -17.4774      2.00000
    191     -17.4616      2.00000
    192     -17.4584      2.00000
    193     -16.7507      2.00000
    194     -16.7048      2.00000
    195     -16.6987      2.00000
    196     -16.6800      2.00000
    197     -16.6603      2.00000
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   1335       2.6340     -0.00000
   1336       2.6479     -0.00000
   1337       2.6562     -0.00000
   1338       2.6647     -0.00000
   1339       2.6697     -0.00000
   1340       2.6767     -0.00000
   1341       2.6913     -0.00000
   1342       2.7178     -0.00000
   1343       2.7701     -0.00000
   1344       2.7883     -0.00000
   1345       2.7937     -0.00000
   1346       2.9530     -0.00000
   1347       2.9768     -0.00000
   1348       3.0143     -0.00000
   1349       3.0186     -0.00000
   1350       3.0368     -0.00000
   1351       3.0674     -0.00000
   1352       3.0812     -0.00000
   1353       3.1004     -0.00000
   1354       3.1281     -0.00000
   1355       3.1382     -0.00000
   1356       3.1584     -0.00000
   1357       3.1655     -0.00000
   1358       3.1766     -0.00000
   1359       3.2131     -0.00000
   1360       3.2406     -0.00000
   1361       3.2832     -0.00000
   1362       3.3523     -0.00000
   1363       3.4556     -0.00000
   1364       3.5173     -0.00000
   1365       3.5758     -0.00000
   1366       3.6269     -0.00000
   1367       3.6492     -0.00000
   1368       3.7064     -0.00000
   1369       3.7392     -0.00000
   1370       3.7561     -0.00000
   1371       3.7914     -0.00000
   1372       3.8186     -0.00000
   1373       3.8527     -0.00000
   1374       3.8688      0.00000
   1375       3.8792      0.00000
   1376       3.8958      0.00000
   1377       3.9014      0.00000
   1378       3.9201      0.00000
   1379       3.9348      0.00000
   1380       3.9469      0.00000
   1381       3.9583      0.00000
   1382       3.9671      0.00000
   1383       3.9780      0.00000
   1384       3.9920      0.00000
   1385       4.0144      0.00000
   1386       4.0223      0.00000
   1387       4.0292      0.00000
   1388       4.0333      0.00000
   1389       4.0461      0.00000
   1390       4.0526      0.00000
   1391       4.0822      0.00000
   1392       4.0977      0.00000
   1393       4.1083      0.00000
   1394       4.1151      0.00000
   1395       4.1226      0.00000
   1396       4.1338      0.00000
   1397       4.1561      0.00000
   1398       4.1621      0.00000
   1399       4.1731      0.00000
   1400       4.1817      0.00000
   1401       4.1916      0.00000
   1402       4.2115      0.00000
   1403       4.2343      0.00000
   1404       4.2371      0.00000
   1405       4.2487      0.00000
   1406       4.2684      0.00000
   1407       4.2728      0.00000
   1408       4.3063      0.00000
   1409       4.3215      0.00000
   1410       4.3271      0.00000
   1411       4.3505      0.00000
   1412       4.3551      0.00000
   1413       4.3594      0.00000
   1414       4.3852      0.00000
   1415       4.4045      0.00000
   1416       4.4125      0.00000
   1417       4.4301      0.00000
   1418       4.4373      0.00000
   1419       4.4517      0.00000
   1420       4.4600      0.00000
   1421       4.4757      0.00000
   1422       4.4848      0.00000
   1423       4.5010      0.00000
   1424       4.5195      0.00000
   1425       4.5429      0.00000
   1426       4.5582      0.00000
   1427       4.5680      0.00000
   1428       4.5841      0.00000
   1429       4.5969      0.00000
   1430       4.6226      0.00000
   1431       4.6464      0.00000
   1432       4.6683      0.00000
   1433       4.6914      0.00000
   1434       4.6955      0.00000
   1435       4.7683      0.00000
   1436       4.7795      0.00000
   1437       4.8099      0.00000
   1438       4.8193      0.00000
   1439       4.8369      0.00000
   1440       4.8477      0.00000
   1441       4.8741      0.00000
   1442       4.8796      0.00000
   1443       4.9153      0.00000
   1444       4.9413      0.00000
   1445       4.9477      0.00000
   1446       4.9507      0.00000
   1447       4.9732      0.00000
   1448       4.9826      0.00000
   1449       5.0092      0.00000
   1450       5.0104      0.00000
   1451       5.0356      0.00000
   1452       5.0516      0.00000
   1453       5.0615      0.00000
   1454       5.0815      0.00000
   1455       5.1041      0.00000
   1456       5.1084      0.00000
   1457       5.1159      0.00000
   1458       5.1328      0.00000
   1459       5.1349      0.00000
   1460       5.1499      0.00000
   1461       5.1804      0.00000
   1462       5.1991      0.00000
   1463       5.2127      0.00000
   1464       5.2308      0.00000
   1465       5.2389      0.00000
   1466       5.2478      0.00000
   1467       5.2705      0.00000
   1468       5.2733      0.00000
   1469       5.2768      0.00000
   1470       5.2887      0.00000
   1471       5.3035      0.00000
   1472       5.3175      0.00000
   1473       5.3279      0.00000
   1474       5.3400      0.00000
   1475       5.3508      0.00000
   1476       5.3568      0.00000
   1477       5.3621      0.00000
   1478       5.3656      0.00000
   1479       5.3815      0.00000
   1480       5.3871      0.00000
   1481       5.3942      0.00000
   1482       5.4112      0.00000
   1483       5.4189      0.00000
   1484       5.4251      0.00000
   1485       5.4367      0.00000
   1486       5.4429      0.00000
   1487       5.4501      0.00000
   1488       5.4661      0.00000
   1489       5.4726      0.00000
   1490       5.4778      0.00000
   1491       5.4932      0.00000
   1492       5.4976      0.00000
   1493       5.5041      0.00000
   1494       5.5090      0.00000
   1495       5.5209      0.00000
   1496       5.5255      0.00000
   1497       5.5388      0.00000
   1498       5.5410      0.00000
   1499       5.5571      0.00000
   1500       5.5585      0.00000
   1501       5.5656      0.00000
   1502       5.5776      0.00000
   1503       5.5971      0.00000
   1504       5.6081      0.00000
   1505       5.6139      0.00000
   1506       5.6176      0.00000
   1507       5.6282      0.00000
   1508       5.6456      0.00000
   1509       5.6571      0.00000
   1510       5.6613      0.00000
   1511       5.6674      0.00000
   1512       5.6711      0.00000
   1513       5.6763      0.00000
   1514       5.6956      0.00000
   1515       5.7084      0.00000
   1516       5.7249      0.00000
   1517       5.7342      0.00000
   1518       5.7382      0.00000
   1519       5.7517      0.00000
   1520       5.7580      0.00000
   1521       5.7678      0.00000
   1522       5.7773      0.00000
   1523       5.7961      0.00000
   1524       5.7990      0.00000
   1525       5.8048      0.00000
   1526       5.8190      0.00000
   1527       5.8224      0.00000
   1528       5.8323      0.00000
   1529       5.8455      0.00000
   1530       5.8573      0.00000
   1531       5.8795      0.00000
   1532       5.8848      0.00000
   1533       5.8947      0.00000
   1534       5.9051      0.00000
   1535       5.9070      0.00000
   1536       5.9170      0.00000
   1537       5.9246      0.00000
   1538       5.9269      0.00000
   1539       5.9367      0.00000
   1540       5.9537      0.00000
   1541       5.9599      0.00000
   1542       5.9773      0.00000
   1543       5.9830      0.00000
   1544       5.9887      0.00000
   1545       6.0050      0.00000
   1546       6.0054      0.00000
   1547       6.0245      0.00000
   1548       6.0282      0.00000
   1549       6.0355      0.00000
   1550       6.0419      0.00000
   1551       6.0550      0.00000
   1552       6.0566      0.00000
   1553       6.0622      0.00000
   1554       6.0799      0.00000
   1555       6.0849      0.00000
   1556       6.0967      0.00000
   1557       6.1009      0.00000
   1558       6.1123      0.00000
   1559       6.1292      0.00000
   1560       6.1343      0.00000
   1561       6.1432      0.00000
   1562       6.1484      0.00000
   1563       6.1727      0.00000
   1564       6.1746      0.00000
   1565       6.1827      0.00000
   1566       6.1851      0.00000
   1567       6.1902      0.00000
   1568       6.2073      0.00000
   1569       6.2186      0.00000
   1570       6.2255      0.00000
   1571       6.2315      0.00000
   1572       6.2379      0.00000
   1573       6.2429      0.00000
   1574       6.2472      0.00000
   1575       6.2532      0.00000
   1576       6.2665      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.088  13.413  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.413  17.832  -0.001   0.002  -0.000   0.002  -0.006   0.000
 -0.001  -0.001  -4.234   0.003   0.001   8.281  -0.004  -0.001
  0.001   0.002   0.003  -4.234   0.001  -0.004   8.280  -0.001
 -0.000  -0.000   0.001   0.001  -4.227  -0.001  -0.001   8.272
  0.002   0.002   8.281  -0.004  -0.001 -18.328   0.007   0.002
 -0.004  -0.006  -0.004   8.280  -0.001   0.007 -18.323  -0.000
  0.000   0.000  -0.001  -0.001   8.272   0.002  -0.000 -18.318
 total augmentation occupancy for first ion, spin component:           1
  8.399  -3.776   0.181   0.149  -0.043   0.023   0.028  -0.007
 -3.776   1.770  -0.093  -0.101   0.025  -0.010  -0.016   0.004
  0.181  -0.093   1.771  -0.062  -0.040   0.167  -0.012  -0.008
  0.149  -0.101  -0.062   1.892  -0.089  -0.012   0.176  -0.012
 -0.043   0.025  -0.040  -0.089   1.224  -0.008  -0.012   0.080
  0.023  -0.010   0.167  -0.012  -0.008   0.017  -0.002  -0.001
  0.028  -0.016  -0.012   0.176  -0.012  -0.002   0.018  -0.002
 -0.007   0.004  -0.008  -0.012   0.080  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -50436.98874 91393.52830 23086.08363-10633.39468  6442.81394 19747.81735
  Hartree  5210.31627118344.75299 61000.84345-11060.51674  4429.48903 14013.40615
  E(xc)  -10736.14716-10589.49205-10631.13551     2.84330     8.06031    33.07221
  Local   11798.16519************************ 21688.96143-10897.66887-33164.58405
  n-local -5846.72805 -5982.77475 -6036.38799     4.21267    17.32160   -64.37034
  augment  1493.62204  1535.76701  1486.95724     4.83364    12.54488    -3.50182
  Kinetic 45501.09880 43265.80305 43659.68366   -27.41296   -67.86879  -569.98534
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -108.8029323   -387.9952894   -148.7498543    -20.4733360    -55.3079049     -8.1458368
  in kB      -18.1437599    -64.7013202    -24.8052289     -3.4140927     -9.2230359     -1.3583835
  external PRESSURE =     -35.8834363 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.231E+03 -.109E+03 0.249E+03   0.231E+03 0.109E+03 -.250E+03   -.125E+00 -.557E+00 0.153E+01   0.410E-03 0.366E-03 -.434E-03
   -.188E+03 -.134E+03 0.614E+02   0.188E+03 0.136E+03 -.612E+02   0.338E+00 -.124E+01 -.341E+00   0.283E-03 0.213E-03 -.331E-03
   -.160E+03 -.124E+03 0.522E+01   0.160E+03 0.126E+03 -.366E+01   0.272E+00 -.133E+01 -.161E+01   0.218E-03 0.726E-04 -.316E-03
   -.217E+03 -.943E+02 0.336E+03   0.217E+03 0.942E+02 -.339E+03   -.300E+00 -.519E-01 0.253E+01   0.400E-03 0.321E-03 -.697E-03
   -.164E+03 -.146E+03 0.300E+03   0.164E+03 0.147E+03 -.301E+03   0.103E+00 -.749E+00 0.102E+01   0.154E-03 0.816E-04 -.754E-03
   -.144E+03 -.111E+03 0.167E+03   0.144E+03 0.111E+03 -.167E+03   0.181E+00 -.170E+00 0.128E+00   0.105E-03 -.289E-04 -.498E-03
   -.230E+03 -.130E+03 0.178E+03   0.229E+03 0.135E+03 -.178E+03   0.762E+00 -.440E+01 0.905E+00   0.472E-03 0.487E-03 -.187E-03
   -.182E+03 -.110E+03 0.334E+02   0.182E+03 0.114E+03 -.353E+02   -.423E+00 -.404E+01 0.202E+01   0.267E-03 0.231E-03 -.222E-03
   -.103E+03 0.487E+01 0.194E+03   0.103E+03 -.487E+01 -.194E+03   0.139E+00 0.133E-01 0.885E-01   -.252E-04 -.154E-03 -.424E-03
   -.810E+02 0.866E+02 0.620E+02   0.805E+02 -.880E+02 -.609E+02   0.538E+00 0.150E+01 -.120E+01   0.384E-04 -.153E-03 -.222E-03
   -.912E+02 0.104E+03 0.135E+03   0.911E+02 -.105E+03 -.136E+03   0.989E-01 0.105E+01 0.894E-01   -.608E-05 -.205E-03 -.181E-03
   -.105E+03 -.267E+01 0.330E+03   0.105E+03 0.241E+01 -.332E+03   -.189E+00 0.281E+00 0.108E+01   -.149E-03 -.269E-03 -.566E-03
   -.109E+03 -.446E+02 0.359E+03   0.109E+03 0.456E+02 -.361E+03   -.531E-01 -.101E+01 0.224E+01   -.115E-03 -.279E-03 -.429E-03
   -.113E+03 0.201E+02 0.304E+03   0.114E+03 -.200E+02 -.305E+03   -.258E+00 -.178E+00 0.155E+01   -.655E-04 -.247E-03 -.276E-03
   -.100E+03 0.109E+03 0.267E+03   0.997E+02 -.114E+03 -.269E+03   0.709E+00 0.380E+01 0.227E+01   -.298E-04 -.270E-03 -.174E-03
   -.871E+02 0.114E+03 0.104E+03   0.872E+02 -.117E+03 -.108E+03   0.523E-01 0.295E+01 0.348E+01   0.601E-04 -.216E-03 -.657E-04
   -.705E+02 0.112E+03 0.530E+02   0.709E+02 -.107E+03 -.489E+02   -.472E+00 -.462E+01 -.430E+01   0.273E-05 -.134E-03 0.954E-07
   -.463E+01 0.205E+03 -.150E+03   0.409E+01 -.206E+03 0.152E+03   0.546E+00 0.190E+01 -.199E+01   0.666E-04 -.532E-04 0.430E-04
   0.306E+02 0.150E+03 -.197E+03   -.308E+02 -.151E+03 0.199E+03   0.144E+00 0.136E+00 -.188E+01   0.108E-04 0.519E-04 0.150E-03
   -.670E+02 0.108E+03 0.180E+03   0.680E+02 -.107E+03 -.183E+03   -.971E+00 -.787E+00 0.315E+01   -.435E-05 -.546E-04 0.115E-04
   0.146E+01 0.695E+02 0.191E+01   -.263E+01 -.711E+02 -.697E+00   0.117E+01 0.149E+01 -.120E+01   -.115E-04 -.419E-04 0.119E-03
   0.944E+01 0.117E+02 -.128E+03   -.951E+01 -.120E+02 0.129E+03   0.218E-01 -.776E-02 -.749E+00   0.295E-05 0.441E-04 0.217E-03
   -.303E+02 -.326E+02 -.175E+03   0.306E+02 0.327E+02 0.174E+03   -.418E+00 -.314E+00 0.522E+00   -.227E-04 -.559E-04 0.302E-03
   -.390E+02 -.732E+02 -.232E+03   0.402E+02 0.748E+02 0.230E+03   -.118E+01 -.178E+01 0.105E+01   -.273E-04 -.147E-03 0.381E-03
   -.210E+02 -.158E+03 -.340E+03   0.204E+02 0.159E+03 0.341E+03   0.464E+00 -.721E+00 -.184E+01   0.848E-04 -.410E-03 0.280E-03
   -.105E+03 -.162E+03 -.158E+03   0.106E+03 0.163E+03 0.156E+03   -.106E+01 -.207E+00 0.160E+01   0.194E-04 -.781E-04 0.188E-03
   -.913E+02 -.281E+03 -.190E+03   0.916E+02 0.282E+03 0.190E+03   -.207E+00 -.933E+00 0.327E+00   0.169E-03 -.161E-03 0.184E-03
   -.407E+02 -.264E+03 -.291E+03   0.406E+02 0.266E+03 0.291E+03   0.504E-01 -.129E+01 -.510E+00   0.229E-03 -.418E-03 0.177E-03
   -.468E+02 -.221E+02 -.216E+03   0.527E+02 0.297E+02 0.211E+03   -.598E+01 -.779E+01 0.510E+01   -.111E-04 0.588E-04 0.292E-03
   -.281E+01 0.527E+02 0.233E+02   -.197E+01 -.614E+02 -.187E+02   0.490E+01 0.865E+01 -.476E+01   0.117E-03 -.513E-04 0.247E-03
   -.203E+03 -.265E+02 -.441E+02   0.204E+03 0.266E+02 0.458E+02   -.321E+00 -.722E-01 -.159E+01   0.593E-04 0.739E-04 -.979E-04
   -.136E+03 -.147E+03 0.137E+03   0.136E+03 0.148E+03 -.137E+03   0.108E+00 -.138E+01 -.225E+00   0.119E-03 0.110E-03 -.207E-03
   -.147E+03 -.156E+03 0.187E+03   0.146E+03 0.157E+03 -.188E+03   0.128E+00 -.179E+01 0.100E+01   0.137E-03 0.787E-04 -.225E-03
   -.299E+03 0.945E+01 -.167E+03   0.299E+03 -.112E+02 0.169E+03   0.128E+00 0.165E+01 -.274E+01   0.495E-04 0.145E-03 -.195E-04
   -.292E+03 -.647E+02 -.186E+03   0.292E+03 0.647E+02 0.187E+03   -.964E-01 -.105E+00 -.120E+01   0.134E-03 0.646E-04 0.836E-04
   -.212E+03 -.727E+02 0.423E+01   0.211E+03 0.726E+02 -.424E+01   0.342E+00 0.160E+00 -.508E-01   0.115E-03 0.263E-05 -.679E-04
   -.118E+03 -.541E+02 -.826E+01   0.119E+03 0.584E+02 0.107E+02   -.100E+01 -.397E+01 -.256E+01   -.464E-04 0.122E-04 -.138E-03
   -.744E+02 -.140E+03 0.114E+03   0.746E+02 0.143E+03 -.111E+03   -.304E+00 -.315E+01 -.365E+01   0.117E-03 0.142E-03 -.266E-03
   -.188E+03 0.476E+02 -.237E+00   0.188E+03 -.478E+02 0.132E+00   0.860E-01 0.382E+00 0.234E-01   0.833E-04 -.761E-04 -.411E-04
   -.106E+03 0.548E+02 0.203E+03   0.105E+03 -.559E+02 -.205E+03   0.238E+00 0.123E+01 0.177E+01   0.364E-04 -.113E-03 -.130E-03
   -.761E+02 0.779E+02 0.114E+03   0.761E+02 -.794E+02 -.114E+03   0.514E-01 0.144E+01 0.309E+00   -.137E-04 -.722E-04 -.800E-04
   -.221E+03 0.894E+02 -.222E+03   0.221E+03 -.903E+02 0.223E+03   -.251E-01 0.862E+00 -.814E+00   0.118E-03 -.151E-03 0.275E-04
   -.183E+03 0.441E+02 -.297E+03   0.183E+03 -.442E+02 0.299E+03   0.120E+00 0.210E+00 -.223E+01   0.212E-04 -.133E-03 -.465E-04
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   -.210E+03 0.452E+03 -.816E+02   0.241E+03 -.496E+03 0.835E+02   -.308E+02 0.432E+02 -.180E+01   -.429E-03 0.320E-03 -.116E-03
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   0.580E+03 0.838E+02 -.125E+02   -.630E+03 -.759E+02 0.636E+01   0.503E+02 -.793E+01 0.611E+01   0.441E-03 0.580E-03 -.526E-04
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   0.599E+02 -.389E+03 0.513E+02   -.877E+02 0.430E+03 -.307E+02   0.277E+02 -.411E+02 -.206E+02   0.297E-03 0.881E-04 0.190E-03
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   0.770E+03 -.181E+03 0.660E+02   -.810E+03 0.213E+03 -.870E+02   0.400E+02 -.319E+02 0.209E+02   0.115E-02 0.375E-03 -.111E-03
   0.179E+03 0.336E+03 0.200E+03   -.157E+03 -.358E+03 -.240E+03   -.228E+02 0.218E+02 0.396E+02   0.790E-03 0.335E-03 0.113E-03
   0.677E+03 0.347E+03 0.146E+03   -.706E+03 -.385E+03 -.122E+03   0.290E+02 0.384E+02 -.235E+02   0.983E-03 0.117E-03 0.215E-03
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   0.567E+02 -.199E+03 0.816E+03   -.792E+02 0.227E+03 -.857E+03   0.226E+02 -.279E+02 0.409E+02   0.103E-04 0.279E-03 -.135E-03
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 -----------------------------------------------------------------------------------------------
   0.202E+02 -.915E+01 -.823E+01   -.122E-10 -.307E-11 0.398E-12   -.202E+02 0.915E+01 0.823E+01   -.104E-01 0.769E-02 0.145E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.10330      3.15854      1.33871        -0.011326      0.003727      0.090944
     12.87481      3.58508      2.64567         0.051454     -0.070317     -0.069541
     12.84692      4.94253      2.98490        -0.001703     -0.160355     -0.049664
     13.14804      4.09223      0.30607         0.009894     -0.163183      0.122996
     13.01479      5.43918      0.63704         0.007457      0.030587     -0.052174
     12.95033      5.92168      1.96509         0.065338      0.047209      0.043317
     13.25631      1.67454      1.33774        -0.048202      0.244217      0.248314
     12.68241      2.36591      3.49623         0.069001      0.027478      0.065716
     13.05812      7.40064      2.22409         0.016676      0.015222     -0.014559
     13.07215      7.97554      3.51754         0.028644      0.085554     -0.072219
     13.31962      9.34286      3.66831        -0.065681      0.048636     -0.014262
     13.23003      8.29908      1.14242        -0.046796      0.019287     -0.106787
     13.44729      9.67175      1.29186         0.054621      0.047572      0.073890
     13.51939     10.19429      2.58504        -0.108101     -0.132884      0.095608
     13.74026     11.58378      3.09996         0.058010     -0.457396      0.155867
     13.38244     10.15536      4.92125         0.097007      0.152222     -0.234905
     13.74183     12.63151      5.46345        -0.039549     -0.280987     -0.228752
     13.47763     12.50412      6.83357         0.006649      0.233229      0.091414
     13.51077     13.61788      7.67789        -0.047760     -0.014289     -0.052873
     14.08733     13.91769      5.03489         0.096464      0.178880      0.027453
     14.12428     15.03332      5.89901        -0.008452     -0.152719      0.015603
     13.81970     14.94378      7.30155        -0.046173     -0.274417      0.218045
     13.88265     16.04922      8.36518        -0.106669     -0.174015     -0.085170
     13.26419     16.06103      9.67000        -0.004308     -0.117629     -0.099136
     13.34964     17.19499     10.49821        -0.130045     -0.107939      0.020478
     14.59174     17.23356      8.09144         0.025318     -0.093202     -0.083276
     14.58117     18.38363      8.86696         0.108553     -0.068324      0.041950
     13.93892     18.38428     10.09094        -0.028389     -0.008440      0.054966
     12.45460     14.94873     10.30829        -0.086405     -0.149527     -0.022065
     14.69943     16.25133      5.22243         0.117353     -0.089221     -0.139753
      9.78535      3.85014      4.74855         0.057035      0.061252      0.045747
      9.72330      4.77795      3.71300         0.054715     -0.050973      0.056562
      9.79727      6.15598      3.97552        -0.065665     -0.164093     -0.048529
      9.95631      4.26412      6.06601         0.065482     -0.060909     -0.191517
     10.02435      5.62833      6.32356         0.020672     -0.059215     -0.055216
      9.94433      6.61530      5.31214         0.025207      0.091976     -0.061174
      9.55752      2.48371      4.21563         0.068733      0.304355     -0.106764
      9.59052      4.00454      2.42584        -0.044271     -0.010724     -0.108357
     10.01760      8.06813      5.70085         0.006605      0.124132     -0.082184
     10.08025      9.12008      4.75276        -0.024128      0.106608      0.019869
     10.19997     10.44169      5.18375         0.042782     -0.085474      0.121016
     10.00264      8.46198      7.06343         0.072148     -0.024316     -0.031693
     10.06525      9.79243      7.49472         0.056039      0.122312     -0.035991
     10.19797     10.79368      6.53430         0.018947     -0.139291     -0.153100
     10.28104     12.27844      6.64633        -0.020344     -0.179876     -0.341521
     10.31465     11.68926      4.38563        -0.170880      0.236885     -0.285639
     10.75316     14.14143      4.91456        -0.176636     -0.075770      0.035222
     11.25725     14.46940      3.65145        -0.017502      0.049244      0.114973
     11.63425     15.77797      3.34702         0.033595     -0.054066      0.093852
     10.60904     15.22472      5.79366         0.074863      0.040998      0.051779
     10.98979     16.55042      5.48072        -0.087961     -0.010655     -0.040047
     11.54603     16.91195      4.18545        -0.011519     -0.141199      0.133294
     12.02429     18.29352      3.70753         0.153132      0.046415     -0.204322
     12.60820     18.69311      2.42976        -0.005995      0.132743      0.137016
     12.91747     20.04505      2.16370         0.118011     -0.066392      0.057737
     11.93075     19.39152      4.58677         0.006174      0.125303     -0.146769
     12.20925     20.73117      4.31765        -0.064348     -0.104953     -0.070015
     12.66930     21.10354      3.05509         0.115564      0.121594     -0.207557
     13.05618     17.81181      1.25640         0.183698      0.035443      0.014229
     10.79013     17.46717      6.68695         0.041206      0.048996     -0.189781
     10.46404      7.08045     14.69271         0.037039     -0.081642      0.312866
     10.37184      7.50150     16.01911         0.043496     -0.396208      0.157449
     10.40322      8.85628     16.37187         0.003382     -0.033319     -0.133757
     10.47828      8.03184     13.67932         0.049211     -0.106853      0.109012
     10.40885      9.38230     14.03054         0.109000      0.078622     -0.116277
     10.43080      9.86346     15.36335         0.086735      0.000699      0.136210
     10.52765      5.58559     14.65289         0.061697     -0.012774      0.243271
     10.21094      6.25197     16.87728         0.135074      0.092146     -0.774989
     10.50712     11.36438     15.62337         0.070301      0.054843     -0.009546
     10.55698     11.97719     16.90814         0.092986      0.046312     -0.010105
     10.68691     13.37288     17.03016         0.010420      0.080133      0.063669
     10.58239     12.25987     14.52294         0.037834      0.070055     -0.093404
     10.72026     13.64985     14.64066         0.077410      0.055776      0.064256
     10.78475     14.21179     15.91990        -0.095048     -0.132762      0.034970
     10.91350     15.63640     16.38020         0.010689     -0.316161      0.281037
     10.72234     14.24886     18.26103         0.057074      0.070331     -0.241591
     10.73115     16.78990     18.69038         0.079338     -0.117572     -0.182591
     10.10002     16.74627     19.92926        -0.054846      0.164187      0.065442
      9.92398     17.90536     20.69159         0.011092     -0.016961     -0.086000
     11.22612     18.05775     18.33484         0.098811      0.069610      0.024766
     11.10048     19.23025     19.12390        -0.115072     -0.203969      0.127416
     10.39125     19.20625     20.40966         0.142525     -0.100286     -0.030360
     10.12719     20.33938      0.18197         0.050258      0.170264     -0.183236
      9.48037     20.29550      1.48292        -0.095916      0.090361     -0.159316
      9.26743      0.19516      2.26694        -0.020469     -0.088414     -0.093329
     10.51710      0.40264     21.13049         0.129450     -0.074705     -0.140122
     10.29039      1.55421      0.62837        -0.071853     -0.066100      0.045487
      9.67524      1.47847      1.88346         0.081565      0.225816     -0.033234
      8.82050     19.09438      2.12161        -0.237925     -0.006978     -0.084785
     11.83929     20.40018     18.45511         0.110019     -0.145028     -0.023200
      7.27347      7.64854     17.40380         0.001561      0.013801     -0.103525
      7.15681      8.58159     16.37418         0.075126     -0.073213     -0.059186
      7.11765      9.95725     16.64908        -0.035510     -0.066641     -0.112081
      7.43706      8.06505     18.71868        -0.023584     -0.053796     -0.063397
      7.45132      9.43437     18.98159         0.040754     -0.080407     -0.028965
      7.27290     10.42531     17.98591        -0.005046      0.047486     -0.103420
      7.01517      6.28695     16.85986         0.020150      0.411735     -0.169495
      7.03382      7.80320     15.07841        -0.184897      0.043345     -0.009918
      7.24143     11.88152     18.40138         0.036606      0.107214     -0.075711
      7.19996     12.97330     17.49172        -0.055856      0.183854     -0.002764
      7.19631     14.29562     17.96668         0.054769     -0.029809     -0.003693
      7.29934     12.22872     19.77629         0.018734      0.007804      0.006259
      7.30889     13.54362     20.24936        -0.001470      0.182160     -0.084034
      7.22969     14.59084     19.33037         0.029779     -0.169926     -0.160948
      7.19083     16.07167     19.51590        -0.035787     -0.065775     -0.027185
      7.23525     15.60396     17.22652        -0.089857      0.017853     -0.089134
      7.53074     18.05646     17.91959        -0.112964     -0.075799     -0.083742
      8.28552     18.43093     16.81106         0.128883     -0.002329     -0.007731
      8.63948     19.76322     16.58603         0.052943     -0.130197      0.121096
      7.09017     19.12360     18.71772         0.111147      0.057070      0.028623
      7.43551     20.48453     18.49154         0.023277      0.079814     -0.314645
      8.28339     20.89005     17.35724        -0.171026     -0.258019      0.063945
      8.82408      1.01577     16.91232         0.168627     -0.010347      0.014892
      9.51551      1.38050     15.67326         0.061589     -0.285959     -0.049168
      9.94267      2.70612     15.44493         0.135757     -0.094813      0.275242
      8.70172      2.12204     17.78023        -0.020416      0.189569      0.038643
      9.17850      3.42414     17.56952         0.112950      0.124681      0.063381
      9.80510      3.75463     16.35625        -0.121193      0.454056      0.236646
     10.00072      0.49725     14.47224        -0.201801      0.611317      0.275368
      6.74005      0.13362     19.51384         0.200762      0.108869     -0.135343
      6.92831     10.84503      6.15059        -0.007541      0.118901      0.189573
      6.82578     11.29176      7.46648         0.051125     -0.089370      0.073841
      6.87630     12.66134      7.79572         0.033735     -0.229552     -0.020454
      7.13322     11.77917      5.13030        -0.091673     -0.171466      0.139825
      7.20414     13.13430      5.46570        -0.052567      0.013324     -0.009822
      7.06458     13.64059      6.78374        -0.036917      0.082382      0.038692
      6.92398      9.34688      6.13322        -0.041770      0.230512      0.299658
      6.80023     10.06171      8.34957         0.012974     -0.006863     -0.132444
      7.16189     15.14316      7.02712        -0.033628      0.025901      0.017031
      7.11100     15.77513      8.30102         0.008432      0.077575      0.008524
      7.24090     17.17283      8.41512         0.005471      0.040109      0.094851
      7.36226     16.02048      5.92736        -0.024436      0.052254     -0.063488
      7.43802     17.41231      6.03508        -0.087307     -0.023451      0.067107
      7.35582     17.99584      7.29747        -0.050908     -0.165118      0.127062
      7.50367     19.42249      7.72783        -0.051625     -0.266994      0.063842
      7.42012     18.05021      9.63439        -0.034098      0.031921     -0.461185
      7.64129     20.58845     10.00868         0.079591     -0.163186     -0.151163
      7.19664     20.57806     11.32408        -0.020952      0.094025      0.135478
      7.18431      0.48122     12.09286        -0.073078     -0.255793      0.029755
      8.22125      0.55063      9.60823        -0.034788     -0.005609      0.054269
      8.30240      1.70138     10.43235        -0.020213     -0.041832      0.322950
      7.69199      1.74303     11.76788         0.035637     -0.174103     -0.116684
      7.50182      2.87279     12.80960         0.303685      0.429404     -0.446558
      6.88391      2.84162     14.11958        -0.184784      0.027685      0.332023
      6.70017      4.00905     14.90337         0.001320     -0.381756     -0.127900
      7.93339      4.18989     12.48888        -0.025008     -0.261136     -0.107570
      7.76663      5.32977     13.27438        -0.028820      0.117345      0.081680
      7.14226      5.27790     14.52901         0.115993      0.270195     -0.123944
      6.27627      1.64432     14.86530         0.116173      0.314600      0.136802
      9.23815      2.74825      9.84790         0.114930      0.201228      0.213906
      4.25518     11.50093     10.58369        -0.074647      0.203369     -0.151770
      3.99938     12.36873      9.52710        -0.044157      0.012795     -0.119868
      4.05838     13.75616      9.67588         0.089302     -0.073532     -0.017871
      4.60558     12.03092     11.82667         0.016389     -0.026023     -0.108680
      4.62014     13.42251     11.99083         0.094312     -0.049967     -0.026627
      4.36227     14.33133     10.93296         0.087475      0.100377     -0.118392
      3.87335     10.11760     10.17274         0.027119      0.204536      0.008188
      3.52370     11.55868      8.35810         0.067027     -0.090054      0.221375
      4.40077     15.82784     11.15186        -0.041052      0.032370     -0.043431
      4.06728     16.78315     10.14717        -0.051117      0.095042      0.006012
      4.12420     18.15520     10.43725        -0.003739     -0.026413      0.096005
      4.80431     16.34625     12.40935         0.020974     -0.119038     -0.050241
      4.79916     17.70567     12.71628        -0.036530      0.108153     -0.072071
      4.42462     18.60741     11.72364        -0.017564     -0.325316     -0.132311
      4.29572     20.07592     11.76548        -0.040609      0.076790      0.198027
      3.98932     19.37222      9.56408        -0.127278      0.202600     -1.081354
      4.35802      0.63619     10.04206        -0.068734      0.045816     -0.002515
      4.81526      0.99512      8.77597         0.109823      0.195689      0.016640
      5.31079      2.27713      8.54495         0.103725     -0.007462      0.023972
      4.23403      1.72563     10.92424         0.013194     -0.126087     -0.007839
      4.74278      3.03373     10.67935         0.002499      0.009255     -0.112310
      5.41502      3.37794      9.43340        -0.098156     -0.262896      0.188071
      6.03460      4.72304      8.93228        -0.020696      0.065900     -0.210057
      6.51749      5.02790      7.59275        -0.010200      0.205080      0.038946
      6.83742      6.34539      7.16088        -0.057870     -0.048449      0.047814
      6.01929      5.89550      9.71574         0.118420      0.306057     -0.168189
      6.25902      7.21034      9.27334         0.067489     -0.314654      0.080420
      6.64009      7.50050      7.95553         0.048446      0.152907      0.055599
      6.67047      3.99371      6.48563         0.205053     -0.079510      0.121010
      4.26063      3.88004     11.85748        -0.110478      0.173375     -0.190731
      0.87704     14.15312      0.93613         0.255849      0.111302      0.352034
      1.52907     14.59984      2.08567         0.168721     -0.134394      0.202659
      1.58074     15.97921      2.39263        -0.201527      0.070742     -0.091347
      0.42273     15.05185     21.24565        -0.080844      0.070217      0.060400
      0.54130     16.41234      0.25179        -0.040039     -0.055109      0.065454
      1.03871     16.94084      1.47124        -0.072579      0.141705      0.056043
      0.81953     12.68298      0.92784        -0.081316     -0.286773      0.021098
      2.15755     13.34797      2.73094        -0.304851     -0.118217     -0.633779
      0.94879     18.46924      1.65140        -0.028484     -0.073967      0.034685
      1.30915     19.21552      2.80939         0.052056      0.170680     -0.082969
      1.18907     20.62306      2.81176         0.115254     -0.121305      0.138874
      0.44928     19.25205      0.56986        -0.030022      0.017136     -0.073195
      0.26419     20.63644      0.59743         0.032930      0.085460      0.110425
      0.64001      0.07208      1.74455         0.042311     -0.280649      0.128903
      0.57273      1.52305      2.07872         0.039862     -0.286732      0.010930
      1.64618      0.38098      3.82954        -0.185107      0.034546     -0.305409
      1.34214      2.93380      4.05952         0.064968     -0.138181     -0.045374
      1.94750      2.99988      5.31191         0.075239      0.053854      0.122779
      2.07704      4.20963      5.98095         0.050702     -0.025906     -0.135638
      0.82348      4.15900      3.60069        -0.077110     -0.055350     -0.065268
      0.92165      5.37279      4.31378         0.054263      0.041088      0.246371
      1.64984      5.48484      5.56529         0.006587      0.025687      0.091894
      2.02814      6.70499      6.44697        -0.038845      0.003396      0.004855
      2.49663      6.67113      7.81847        -0.062323      0.344659     -0.373254
      2.91485      7.82010      8.51655        -0.035756     -0.236318     -0.196625
      2.02634      8.03733      5.95415        -0.041376      0.010938      0.097669
      2.48210      9.18136      6.64038         0.102519     -0.141977      0.118245
      2.97182      9.09739      7.96626        -0.003924      0.150537     -0.127831
      2.78303      5.44788      8.63579        -0.258068     -0.067224     -0.051649
      0.12174      6.47607      3.64923        -0.156992     -0.122793      0.435942
      4.65143     14.07956      0.68568        -0.211938     -0.034530     -0.219529
      4.06855     14.98300     -0.20445        -0.289613     -0.182418     -0.277099
      4.08798     16.37232      0.03034        -0.001723      0.040672      0.073347
      5.29330     14.56381      1.81905        -0.087396     -0.059410     -0.195307
      5.27281     15.93414      2.06194         0.080834      0.125866      0.126655
      4.65923     16.90487      1.22820         0.064234      0.127663     -0.009501
      4.45820     12.67890      0.19909        -0.097939      0.004322     -0.213131
      3.45558     14.14452     19.92668         0.219605     -0.218917      0.358647
      4.70550     18.38196      1.67800         0.023529      0.244092      0.089297
      4.16753     19.52710      1.00821        -0.004710     -0.036416      0.021775
      4.33810     20.83473      1.53105        -0.139188      0.199814     -0.108562
      5.36836     18.69504      2.89819         0.033657     -0.044277      0.135457
      5.56408     19.98262      3.41003        -0.176348      0.126037     -0.071371
      5.05026     21.07182      2.70421        -0.170507     -0.025968     -0.182243
      5.13542      1.29211      2.96118        -0.133160     -0.137782     -0.262998
      3.85699      0.93725      1.03097         0.078622      0.062293      0.118950
      4.05292      3.42373      1.90894        -0.109658      0.004274     -0.013184
      3.14663      4.01473      1.00294        -0.196943      0.012383     -0.246340
      2.91248      5.40669      0.94452        -0.146524     -0.138892     -0.159800
      4.59791      4.37651      2.80533        -0.094414     -0.167165     -0.133444
      4.26139      5.76279      2.78588         0.243891      0.076145      0.149029
      3.44485      6.41299      1.79195        -0.012597     -0.251534     -0.187745
      3.07640      7.93447      1.64948        -0.076398      0.034427      0.071142
      1.92048      8.51279      0.97958         0.168855     -0.128281      0.033678
      1.59023      9.86976      1.09414        -0.155325      0.022463      0.200715
      3.80074      8.96184      2.31895         0.089317     -0.080826      0.341415
      3.37964     10.29098      2.55807         0.067117      0.163702     -0.068710
      2.24449     10.81222      1.91490        -0.285429     -0.126765     -0.148809
      0.91330      7.78234      0.09096         0.032631     -0.334010      0.382827
      4.90990      6.49630      3.93489        -0.016889     -0.191221      0.022429
     18.04280     17.34306     13.72730         0.046547     -0.021189      0.043859
     19.05327     17.81431     14.56301        -0.045593     -0.077887     -0.020960
     19.31015     19.18233     14.71427        -0.043380     -0.166821      0.049537
     17.32709     18.24663     12.93965         0.015979     -0.106299     -0.009103
     17.63291     19.60692     13.04191         0.012623      0.000601     -0.057891
     18.57209     20.13091     13.96245        -0.004678      0.065128      0.205070
     17.98848     15.84676     13.82468         0.149658      0.212923      0.120246
     19.73888     16.62322     15.16449        -0.081028     -0.088563      0.096775
     18.69520      0.36226     14.17484         0.001099      0.092781      0.068923
     19.62287      0.94729     15.07742         0.006260      0.087637      0.071330
     19.60337      2.32634     15.32385        -0.125631     -0.013998     -0.053299
     17.80195      1.25610     13.53135        -0.024000      0.075728     -0.036532
     17.79918      2.64065     13.75155         0.057859      0.008985      0.049039
     18.71161      3.17430     14.66364         0.028807     -0.281950     -0.040060
     18.93808      4.57889     15.11063         0.085478     -0.341502      0.097595
     20.39487      3.16339     16.28745         0.060133      0.092977      0.079436
     20.59733      5.68040     16.72316         0.174502     -0.231652     -0.015231
      0.65540      5.66283     17.18644        -0.036365      0.129014     -0.033404
      1.25136      6.82145     17.68342        -0.234987      0.112716     -0.148063
     19.92839      6.88391     16.95044        -0.351187      0.265286     -0.114106
     20.52728      8.04782     17.50464         0.051441      0.044408      0.018513
      0.67907      8.10558     17.85403         0.079406     -0.495472      0.045640
      1.57119      9.25443     18.44181        -0.276237     -0.142006     -0.127703
      2.92808      9.20948     18.96704         0.201883      0.058574     -0.072234
      3.57086     10.36218     19.49937        -0.283165      0.124239     -0.082159
      1.03679     10.55482     18.54471         0.206151      0.307947      0.346183
      1.66068     11.67387     19.12120        -0.166140      0.194743     -0.183173
      2.96062     11.61446     19.63281        -0.016764      0.083687      0.061126
      4.01694      8.12699     18.90719         0.341883      0.007017      0.081022
     19.48789      9.11791     17.80107        -0.311375      0.129399     -0.028836
      1.90048     18.23641     14.11825        -0.042876      0.139042      0.169839
      1.18453     19.16034     13.35644         0.035701     -0.108379      0.005914
      1.25624     20.53547     13.61485        -0.042361     -0.256526     -0.012043
      2.75332     18.68270     15.13019        -0.008893     -0.068893      0.009543
      2.81823     20.05555     15.39418        -0.155512     -0.043733      0.157479
      2.05151     21.01972     14.69033         0.026820      0.154497     -0.080021
      1.58110     16.85693     13.66117         0.028109      0.233320     -0.135119
      0.42541     18.38144     12.30952         0.169931     -0.064920      0.472510
      2.18076      1.22872     15.02127         0.040010      0.217674     -0.135539
      1.64494      2.24789     14.19547        -0.176355      0.172716     -0.122076
      1.89354      3.59869     14.45974         0.264308     -0.116502      0.232851
      2.92069      1.68565     16.14294        -0.040266     -0.063058     -0.032482
      3.28116      3.02429     16.34356        -0.092071      0.217933     -0.126029
      2.79215      3.99000     15.45561        -0.024926     -0.222708     -0.051787
      3.05910      5.45556     15.28785        -0.616748     -0.330338     -0.242763
      1.37240      4.82581     13.80388        -0.958607      0.184279     -0.894922
      1.56455      7.31656     14.31271         0.144481     -0.087537     -0.006213
      0.26192      7.60747     13.90247         0.093347      0.062997      0.213584
     21.00180      8.88736     14.05922        -0.019056      0.094930      0.079475
      2.31683      8.43204     14.73137         0.016042     -0.090685      0.046551
      1.79519      9.74228     14.87069        -0.043612     -0.229170     -0.122620
      0.40448     10.04496     14.53241         0.002918     -0.130455     -0.079633
     20.88097     11.37344     14.56999        -0.054482      0.109091      0.014729
     19.49444     11.65279     14.18253         0.165761      0.249000      0.204585
     18.95567     12.96150     14.27639        -0.044522     -0.046343      0.042985
      0.27668     12.55020     14.99862        -0.018402      0.022824      0.049644
     -0.25773     13.83916     15.08985        -0.076297     -0.093209     -0.151939
     19.68573     14.09766     14.68799        -0.283796      0.006323      0.003758
     18.43399     10.66068     13.69500        -0.074948      0.002727      0.090509
      2.91203     10.69383     15.30632        -0.256293      0.127216     -0.130284
     16.21445      0.41388      5.23481         0.130960      0.044603      0.068722
     16.89702      0.81995      6.37921         0.028318     -0.053149      0.043179
     16.89821      2.16759      6.79014        -0.021160     -0.205178     -0.052393
     15.51040      1.33955      4.48308         0.117964     -0.119214      0.069297
     15.54289      2.67626      4.86895         0.050491     -0.001129     -0.009867
     16.22791      3.15304      6.00861        -0.034410      0.002601      0.086185
     16.49333     20.24219      4.94438         0.182223      0.097625      0.204140
     17.61442     20.85803      6.91192        -0.106324     -0.012180     -0.208334
     16.22048      4.64633      6.28019        -0.014169      0.003564      0.043690
     16.90974      5.28556      7.34085        -0.063157      0.175369      0.047997
     16.86017      6.68406      7.48174        -0.039868      0.026222      0.026707
     15.50280      5.51336      5.41433         0.021826      0.052995     -0.040835
     15.51907      6.90579      5.50878         0.090674      0.062895      0.054656
     16.21878      7.50154      6.55255         0.114131     -0.140521      0.123075
     16.49329      8.93698      6.86964         0.062656     -0.218159      0.151791
     17.44415      7.57936      8.53912        -0.315759      0.073269     -0.324031
     17.72769     10.11351      8.78490        -0.201286     -0.128567     -0.126236
     18.76799     10.01792      9.69725         0.044037      0.174493      0.129797
     19.32858     11.15495     10.26758         0.004836     -0.150760     -0.039196
     17.24907     11.41965      8.57249         0.086642      0.085114      0.062038
     17.82589     12.57073      9.16824         0.034784     -0.114117      0.147482
     18.95628     12.48375     10.06935        -0.007479      0.059407     -0.005591
     19.76685     13.57658     10.78936        -0.225947      0.141516     -0.154061
     21.06559     13.47774     11.41520        -0.035666      0.174204      0.101345
      0.43611     14.61411     11.96802         0.140520     -0.049330      0.038553
     19.24249     14.88772     10.88346        -0.155918     -0.088970      0.015329
     19.88853     16.01335     11.39608         0.060805      0.014808      0.073232
     21.15643     15.89836     11.98013         0.006599      0.065894     -0.032515
      0.79785     12.31928     11.46373         0.078472      0.067558     -0.087080
     17.05182     13.82456      8.83110         0.027470      0.057359     -0.062311
     20.32866      1.39816      6.16263         0.030631      0.177568      0.102317
     19.74760      2.44229      5.43657        -0.130353      0.088086     -0.058711
     19.72333      3.74891      5.90330        -0.037482     -0.232675      0.058310
     20.86731      1.65700      7.42035        -0.057066     -0.076030      0.060093
     20.75087      2.95044      7.94403        -0.019367      0.108539      0.009490
     20.20334      4.03450      7.20678        -0.070856      0.193064     -0.009337
     20.23203      0.14722      5.35749        -0.066548      0.198328     -0.059307
     19.18794      1.88441      4.16017         0.196209     -0.236945      0.230229
     20.23317      5.45418      7.70102         0.005419      0.171867      0.040483
     19.82780      6.50598      6.84806         0.066527      0.094349      0.026459
     20.14228      7.83259      7.15076        -0.058779     -0.205734      0.011046
     -0.52103      5.84576      8.97045        -0.083520     -0.104313     -0.137450
     -0.16546      7.16811      9.25714        -0.064822      0.137493     -0.032278
     20.85206      8.15981      8.29823        -0.272265     -0.253020     -0.118372
     -0.09384      9.60446      8.23693         0.192906      0.288492      0.214236
     19.86481      9.08401      6.38783        -0.272133      0.074848     -0.405669
     20.37330     11.55521      6.73746         0.053312      0.077521      0.023045
     19.47178     11.98748      5.75430        -0.059942      0.103318      0.106915
     19.21403     13.34390      5.56763         0.045969     -0.058823      0.082028
     21.09100     12.59685      7.37099         0.051714     -0.019517      0.040193
     20.87368     13.97392      7.13127        -0.001969     -0.058322     -0.172930
     19.84598     14.42840      6.21067         0.092097     -0.037684      0.006612
     19.35117     15.84581      5.93638         0.037648      0.000049      0.001253
     18.55901     16.32481      4.82343         0.094591      0.047438      0.040829
     18.03332     17.63362      4.80221         0.053286     -0.001729      0.076581
     19.56838     16.85307      6.90426        -0.047813     -0.035084      0.005254
     18.98129     18.11457      6.92773         0.015434     -0.185156      0.006553
     18.14312     18.52835      5.88859        -0.093869      0.248002     -0.000768
     18.07646     15.48936      3.64081         0.079635     -0.067564     -0.064892
      0.63385     14.86802      7.83563        -0.091027      0.124717     -0.115526
     12.74498      5.20394      4.03288        -0.100274      0.153671      0.185605
     13.25888      3.79635     20.52354         0.014006     -0.096862     -0.065373
     12.95570      6.14096     21.07073         0.132295      0.055909     -0.114314
     12.91082      7.37806      4.40794        -0.104683     -0.144436      0.154114
     13.19009      7.91806      0.12222         0.057741      0.065637      0.023818
     13.56424     10.28628      0.39854         0.029952      0.144285      0.088497
     13.32723     13.38208      8.71704         0.047524      0.049816     -0.011411
     13.26844     11.54672      7.28789        -0.073988     -0.241028     -0.032480
     14.37233     14.06702      3.99764        -0.098902     -0.006283      0.043521
     12.90314     17.13576     11.48880        -0.060709      0.097657     -0.063007
     15.17023     17.31883      7.19666         0.129739     -0.087205     -0.084126
     15.08811     19.26262      8.47324         0.079078      0.144754      0.091980
      9.71715      6.84379      3.13976        -0.008397      0.195086     -0.116620
      9.98606      3.54936      6.88200         0.059303     -0.058876     -0.025723
     10.08658      5.92238      7.36612         0.169584      0.049152      0.108887
     10.00187      8.93251      3.68693         0.104395     -0.097777     -0.203817
      9.90617      7.70676      7.83923        -0.000934     -0.050827      0.049355
      9.98870     10.02190      8.56129         0.093115      0.039712     -0.081214
     12.06777     15.84972      2.36745         0.050519      0.198043     -0.087274
     11.39619     13.71926      2.88408         0.042825     -0.140682     -0.080011
     10.21321     15.02751      6.78486         0.081419     -0.018966     -0.041169
     13.41111     20.28884      1.22681        -0.190738     -0.062991      0.001512
     11.59087     19.26119      5.59229        -0.014725     -0.126053      0.061142
     12.02546      0.18636      5.11084         0.015326      0.172247     -0.000599
     10.37225      9.09589     17.42569        -0.001970      0.227549      0.354676
     10.52561      7.73918     12.63292        -0.024447     -0.029297     -0.116643
     10.34381     10.07925     13.19978         0.070962      0.096060     -0.029102
     10.50704     11.38287     17.81599        -0.030518     -0.129923      0.164089
     10.55526     11.87110     13.50388        -0.001947      0.032741      0.077619
     10.79003     14.25560     13.73255        -0.005730      0.041729      0.128412
      9.37798     17.70426      0.33757        -0.046190      0.147303     -0.084782
      9.71878     15.82829     20.35696        -0.004286     -0.221986     -0.065130
     11.74654     18.14998     17.38890        -0.015130     -0.022462     -0.040014
      8.75398      0.10500      3.21884         0.094939     -0.107659     -0.023804
     11.07148      0.58344     20.22214        -0.093386      0.001880     -0.011837
     10.60553      2.50098      0.20590         0.041216      0.194511      0.026628
      6.90442     10.63465     15.82471         0.108961      0.177679     -0.060614
      7.47200      7.34813     19.53878         0.113766     -0.041752     -0.030506
      7.53147      9.72143     20.02546         0.125824      0.041320      0.074471
      7.18104     12.81102     16.41775         0.009515     -0.066352     -0.191393
      7.31784     11.45237     20.53819         0.051190     -0.007131     -0.016663
      7.38461     13.73123      0.06246        -0.017038      0.023867     -0.058122
      9.28136     19.86492     15.72856         0.127705      0.187553      0.009956
      8.65361     17.68860     16.11325         0.088973     -0.085278     -0.112729
      6.45660     18.89175     19.56750         0.085392      0.013919      0.026636
     10.42957      2.97332     14.52260         0.103831     -0.214674     -0.357301
      8.16631      2.02221     18.71580         0.086504     -0.207526      0.063397
      9.04343      4.15595     18.37179        -0.041110     -0.110653     -0.254519
      6.78574     12.94582      8.83700         0.057802      0.088220      0.258365
      7.29154     11.47762      4.09418        -0.089038     -0.100331     -0.016450
      7.42290     13.81945      4.64926        -0.071484      0.010864     -0.039782
      6.98142     15.19690      9.20990         0.073152     -0.178943      0.190008
      7.52321     15.61667      4.92818        -0.112849     -0.027583      0.017874
      7.65103     18.01318      5.15151        -0.089977      0.026002      0.019273
      6.74639      0.32194     13.05673        -0.154564      0.042536     -0.017929
      6.83732     19.67870     11.80251        -0.045110     -0.265209     -0.038272
      8.65214      0.60358      8.61668         0.051350      0.054575     -0.114618
      6.20109      3.89692     15.85901         0.084349      0.084963     -0.043384
      8.46505      4.36513     11.55825        -0.136972     -0.068441      0.072681
      8.15512      6.26071     12.88494         0.034538      0.286460     -0.058171
      3.78529     14.37383      8.83210         0.120463      0.175251     -0.239675
      4.78868     11.39309     12.68843         0.047174     -0.079976     -0.127340
      4.77351     13.79680     13.00470         0.116613     -0.024456     -0.078398
      3.74309     16.48379      9.15212         0.069272     -0.108012     -0.112335
      5.13296     15.66804     13.19420         0.008216     -0.031275      0.010654
      5.10083     18.04989     13.70663         0.004835     -0.007702     -0.039919
      5.63330      2.36595      7.53201         0.115758      0.015340      0.041225
      4.80466      0.31212      7.93597         0.089186     -0.264516     -0.050126
      3.69193      1.56132     11.85393         0.260830     -0.027166     -0.047049
      7.23102      6.44085      6.15268        -0.177621      0.126045      0.034752
      5.71176      5.86953     10.74477         0.061759     -0.212672      0.070985
      6.11961      7.99180     10.00912         0.014175      0.164298      0.055886
      2.01938     16.30174      3.33551         0.099750      0.043118      0.080772
      0.01571     14.72052     20.29555        -0.168088     -0.109548     -0.097739
      0.21017     17.06467     20.70855        -0.065683      0.067406      0.056350
      1.68846     18.73819      3.70741         0.123285     -0.165886      0.149091
      0.18343     18.78043     20.88789        -0.049614     -0.064520     -0.013392
     -0.13938     -0.10063     20.98702         0.004556     -0.000302      0.011489
      2.58677      4.08244      6.90846         0.038302      0.025737     -0.061235
      2.32887      2.12917      5.82777         0.073259     -0.240601     -0.126909
      0.25887      4.15571      2.67442         0.015137      0.037076     -0.022367
      3.20444      7.71916      9.55095         0.107747     -0.060519      0.090953
      1.67739      8.22901      4.94115         0.050470     -0.067399      0.010424
      2.43421     10.13154      6.12294         0.063730      0.170858     -0.066096
      3.66954     17.02686     20.53245        -0.205047      0.202684     -0.119625
      5.79513     13.89816      2.51569         0.005982     -0.137938      0.100045
      5.79586     16.23966      2.96127        -0.034916      0.105401      0.108687
      3.61671     19.41174      0.07884        -0.082612     -0.001301     -0.191464
      5.82424     17.90208      3.49106        -0.126726      0.045866     -0.044348
      6.12889     20.11043      4.33385        -0.053672      0.097895      0.042617
      2.20554      5.68890      0.17737         0.066211     -0.056521     -0.084594
      2.54860      3.40498      0.32411         0.213571     -0.020348     -0.045800
      5.27942      4.01737      3.57493        -0.092910      0.124647      0.018597
      0.72464     10.21148      0.54562        -0.062691     -0.028482      0.008436
      4.75827      8.73737      2.79398        -0.203679     -0.047744     -0.264425
      3.97562     10.89687      3.24368         0.040743      0.034248     -0.193693
     20.08441     19.48915     15.40924         0.118285      0.089084      0.178605
     16.56917     17.91887     12.22462         0.010150     -0.084120      0.050120
     17.13186     20.27966     12.34855        -0.135116      0.025502      0.049435
     20.36979      0.34082     15.57925         0.066824     -0.135876      0.203477
     17.06393      0.86229     12.83172        -0.013441      0.045649      0.046878
     17.07995      3.27993     13.23264         0.072594     -0.013410      0.026663
      2.24913      6.65464     18.01643         0.249836      0.105877     -0.165682
      1.25349      4.75749     17.15113        -0.081978     -0.045504      0.106636
     18.87185      6.92875     16.68608         0.152633      0.106413      0.030867
      4.59771     10.27028     19.82333         0.093428     -0.060539      0.120592
      0.04270     10.76876     18.19159        -0.180163     -0.123310     -0.126121
      1.07917     12.59733     19.14030         0.133750     -0.044448      0.013166
      0.69307     21.19529     12.96225        -0.119030      0.245264     -0.010592
      3.38776     17.98714     15.69437        -0.233378      0.062548     -0.066713
      3.49944     20.37550     16.18575        -0.039289      0.037319     -0.095447
      1.05800      2.02347     13.31075        -0.202391     -0.156197     -0.126136
      3.29009      0.97006     16.87332         0.040774     -0.073864      0.056518
      3.92644      3.28915     17.18558        -0.040627      0.013480     -0.087304
     19.96294      8.92937     13.78779         0.006587      0.114655      0.064198
     20.87173      6.84697     13.49344        -0.142071     -0.216921      0.005326
      3.36998      8.28215     14.95761        -0.155285     -0.079326      0.087385
     17.90689     13.10404     14.01642         0.189651     -0.029695     -0.085875
      1.32212     12.51836     15.26722        -0.059190     -0.113047      0.012899
      0.41196     14.61878     15.42459         0.021581      0.214737      0.070614
     17.46555      2.43791      7.67481         0.069485      0.096631      0.219154
     14.96564      1.02683      3.59965         0.120861     -0.025409     -0.114229
     15.02764      3.37673      4.22157         0.008512      0.045107     -0.020706
     17.54854      4.72721      8.01533        -0.063721     -0.200265      0.293826
     14.91192      5.10663      4.59952         0.047174     -0.063271     -0.049909
     14.98424      7.50594      4.77519         0.139413      0.000172      0.019544
     20.14854     10.93059     10.91236         0.015567      0.062419      0.141833
     19.20249      9.07364      9.98185        -0.113203     -0.289931      0.071740
     16.39989     11.55650      7.91516        -0.017902      0.043979     -0.108097
      1.41674     14.49389     12.41330        -0.079714     -0.028510     -0.015522
     18.22871     15.07490     10.54926         0.085596     -0.060131      0.046473
     19.36864     16.96008     11.31953         0.003227      0.215925      0.076523
     19.34768      4.51143      5.22605        -0.143521      0.104117      0.074182
      0.12510      0.87175      7.97856        -0.150753      0.026569      0.042440
     -0.10330      3.12938      8.93980        -0.038872      0.013971     -0.012964
     19.32039      6.29596      5.91637        -0.095284      0.004312     -0.046901
     -0.34814      5.09852      9.74626         0.018777      0.048228     -0.053571
      0.30923      7.39002     10.21237        -0.018083      0.115517      0.056751
     18.40034     13.52684      4.88995        -0.065079      0.067646     -0.081693
     18.91898     11.29487      5.13572        -0.124002     -0.227736      0.054341
      0.62157     12.31768      8.05925        -0.080839      0.039923      0.018334
     17.42891     17.91661      3.94674        -0.002438      0.018143      0.035657
     20.19233     16.64803      7.75910        -0.069329     -0.112482      0.049303
     19.18609     18.74310      7.78337        -0.021935      0.202208      0.092589
     13.87140     19.27767     10.71016         0.073697      0.017694      0.110536
     19.31202     21.12604      3.44336        -0.028611      0.057624      0.051056
     12.88321      1.22067      2.65913        -0.114988     -0.057313     -0.013418
     13.64829     11.51788      4.53279        -0.080334     -0.083351      0.466776
      9.56377      2.60304      2.78142         0.023127     -0.004572     -0.216975
     10.45346     12.78316      5.30395         0.072499      0.003550     -0.140912
     10.18929      5.11684     15.98354        -0.009946      0.060061      0.061414
     10.82123     15.62483     17.81800        -0.059514     -0.176197      0.074662
      7.05881      6.40662     15.42692         0.057645     -0.219031      0.018537
      7.26743     16.65728     18.21231         0.041497      0.091367     -0.110394
      6.78078      8.89156      7.49123        -0.103333     -0.099541      0.071017
      7.51797     19.41728      9.15795         0.170322      0.148454      0.246079
      3.47517     10.18377      8.77785        -0.050596      0.047856     -0.220615
      4.10164     20.52883     10.42711         0.031097      0.126185      0.016124
      1.74643     12.19422      1.91589         0.138481      0.059190     -0.094501
      1.19755      1.68716      3.35229         0.094653     -0.045079      0.108948
      3.60615     12.74297     20.30625        -0.101522      0.308403     -0.051429
      4.31551      1.96439      1.98002         0.009725      0.045981     -0.193946
     19.12533     15.43990     14.61084         0.319523     -0.043833      0.135267
     20.00233      4.53496     16.06607         0.057286      0.116995      0.285136
      0.60801     16.98104     12.62014        -0.275295      0.252555     -0.276315
      2.04119      5.95530     14.38707        -0.173981     -0.060613     -0.124034
     17.44664     19.79872      5.92506         0.033099     -0.028479     -0.106730
     17.22138      8.94246      8.10308        -0.030324      0.115370      0.215608
     19.52375      0.51930      4.19754         0.073547      0.001399      0.086930
     20.52477     10.16000      7.07546        -0.121648     -0.003084     -0.179043
     12.41462      2.34354      4.69016         0.060847     -0.015068     -0.072178
     13.69276      0.98929      0.43501         0.029795     -0.208793     -0.213509
     13.21041      9.74608      6.05475         0.032148     -0.085493      0.243430
     13.96579     12.57566      2.43917         0.046371      0.466441     -0.256112
      9.51857      4.43859      1.28591         0.060180     -0.066746      0.109107
      9.37053      1.46561      4.84700         0.087673     -0.385797      0.153234
     10.24181     11.79675      3.16629         0.092689     -0.045858      0.074694
     10.16197     12.94929      7.65156         0.037601      0.230735      0.247179
     10.10966      6.18439     18.08385         0.025408      0.049443      0.597276
     10.87696      4.89877     13.70705        -0.123528     -0.054161      0.040052
     10.67911     13.89172     19.42220        -0.018125     -0.108047      0.286494
     11.07419     16.62638     15.69468        -0.021510      0.344206     -0.245645
      6.90144      8.22755     13.94217         0.136427      0.055586      0.051095
      6.73305      5.28939     17.49402         0.159864     -0.343125      0.145727
      7.24076     15.77907     16.01824        -0.028193     -0.018684     -0.037555
      7.08396     16.67954     20.56849         0.023002      0.124976     -0.019997
      6.85806     10.03255      9.56726         0.002579      0.067495      0.094228
      7.07730      8.64215      5.15598         0.019927     -0.188105     -0.065474
      7.52919     17.70364     10.79317        -0.016071     -0.095516      0.277410
      7.59522     20.40675      7.01774        -0.054724      0.205596     -0.085635
      3.20476     11.95605      7.25325        -0.002191      0.094100     -0.308089
      3.84205      9.13858     10.89736         0.009453     -0.212338     -0.049598
      3.86582     19.42326      8.33811         0.048406     -0.082116      1.021280
      4.31866     20.78269     12.76188        -0.028786     -0.155883     -0.244844
      2.90709     13.26768      3.67594         0.226437      0.044610      0.412341
      0.06287     12.02356      0.22893         0.018086      0.069751     -0.015885
      2.30773      0.19047      4.82935         0.093479     -0.080514      0.158129
      0.05562      2.40028      1.41378        -0.064405      0.284998     -0.227259
      2.96931     14.49875     18.87238        -0.195737      0.293132     -0.081366
      4.95497     11.66153      0.66061         0.028558     -0.016010     -0.007578
      3.19704      1.17002      0.03574        -0.032311     -0.003661     -0.076388
      5.81765      1.83075      3.80902         0.142965      0.261785      0.238232
     -0.61698     16.63337     15.98571         0.110745     -0.026031      0.017165
     17.13482     15.11171     13.37010        -0.169101     -0.229036     -0.175944
     -0.07229      2.79141     17.13906        -0.078503     -0.024456     -0.105332
     18.33562      5.56958     14.74764        -0.103125      0.457343     -0.082943
     21.05897     18.80712     11.36010        -0.290307      0.130667     -0.250605
      2.06610     15.81489     14.06575         0.093213     -0.257614      0.175004
      0.49319      4.88126     12.93163         0.718967      0.010884      0.828666
      3.97448      6.10792     15.73505         0.356021      0.427496      0.382489
     18.21350     20.74135      7.96437         0.086451      0.065505      0.175736
     16.02769     19.57213      4.03961         0.003540     -0.081010     -0.189156
     17.95619      7.24628      9.58809         0.088168     -0.124106      0.344442
     16.21442      9.91926      6.20609        -0.103273      0.144160     -0.027403
     18.55334      2.41909      3.26935        -0.108170      0.286043     -0.124243
     20.65055     20.28244      5.58870         0.096918     -0.081046      0.051635
     19.18060      9.19588      5.37768         0.140980      0.006919      0.337787
      0.60190     10.22674      9.01995        -0.083711     -0.033777     -0.126965
     14.02689     17.41909      5.40399        -0.015122      0.044943      0.152486
     15.97483     16.45452      5.70894        -0.084627     -0.031685     -0.046215
     14.83648     16.12766      3.87647        -0.103259     -0.047009      0.098786
     11.87467     15.33256     11.48680        -0.130463     -0.011724      0.108285
     11.42483     14.50105      9.53047         0.146529      0.055463     -0.015360
     13.21331     13.84524     10.65094         0.004080      0.032766      0.008128
     11.96809     17.94764      7.18663        -0.065648      0.111104     -0.028635
      9.99741     18.56880      6.43567        -0.001636     -0.130285      0.025722
     10.18971     16.83950      7.73300        -0.038893     -0.022965      0.200172
     13.33746     18.53625      0.12715         0.064317     -0.022448      0.125951
     14.19912     17.11720      1.53773        -0.101423     -0.011670      0.066090
     12.13333     16.89296      0.83825        -0.057111      0.016330     -0.128794
     11.10006      0.28887     18.31877         0.026225     -0.062792      0.029578
     12.98272     -0.51200     19.12152        -0.123285     -0.022602      0.161508
     12.23217     20.10756     17.17597         0.072055      0.027978      0.139699
      8.42315     19.32621      3.41517        -0.068262     -0.024556     -0.146862
      7.68747     18.75157      1.41117         0.265493     -0.051270      0.147439
      9.57061     17.95956      2.22442         0.109754     -0.078279      0.036355
      7.58792      0.86669     20.31463         0.007499     -0.072548     -0.234183
      5.88160      1.02861     18.93196         0.123922      0.002388     -0.090689
      5.98577     20.68100     20.40428        -0.097416      0.103430     -0.063094
     10.19830      1.27067     13.35388         0.313935     -0.116418      0.138693
     11.19470     -0.07949     14.78316         0.277455     -0.062704      0.008265
      9.20720     20.75372     14.01432        -0.222984     -0.217391      0.048460
      8.67649      3.98083      9.56435         0.031639     -0.238413      0.111425
     10.28344      3.00154     10.70099        -0.104360      0.005561      0.002169
      9.80355      2.36064      8.66769         0.121386     -0.105175      0.075861
      6.06497      1.90737     16.20297        -0.059638     -0.067678     -0.249756
      5.07661      1.25490     14.37409         0.077679      0.009735      0.047980
      7.06160      0.53387     14.87246        -0.073246     -0.298598      0.102826
      4.80481      5.10299     12.11657        -0.093741     -0.116656     -0.088470
      2.90410      4.08685     11.73021        -0.038543     -0.000244     -0.069504
      4.39223      3.20888     13.03052         0.061941     -0.034296      0.154243
      7.23432      4.45748      5.33978         0.115154      0.230106      0.066294
      7.47294      2.95170      6.88831        -0.055822     -0.000847     -0.100059
      5.47826      3.46137      6.06465        -0.084659      0.020750      0.031383
     -0.60159      7.25023      4.51192         0.238211     -0.114374     -0.116599
      0.91961      7.35734      2.99907         0.055797      0.134046      0.073797
     -0.80043      5.98641      2.77407        -0.006954      0.064263      0.093943
      3.20740      5.72769      9.88395        -0.071690      0.204111      0.279913
      1.76367      4.54441      8.81628         0.072707     -0.020170     -0.141840
      3.79558      4.76056      8.03887        -0.038858     -0.098033     -0.122495
      6.14634      6.95232      3.56507         0.013892     -0.127778     -0.119048
      4.20693      7.55002      4.42587        -0.089361      0.156246      0.000464
      5.07039      5.70215      5.03094        -0.081644      0.048185     -0.250511
     -0.04068      8.60007     20.83861         0.117718     -0.033058     -0.102903
      1.55274      7.18423     -0.96978        -0.119450     -0.036881      0.211667
      0.20477      6.77777      0.68775         0.249521     -0.020815     -0.170925
     19.43855      9.41013     19.13043         0.000295      0.110652      0.082910
     19.68014     10.31461     17.14654         0.055125     -0.093320     -0.069034
     18.21224      8.74346     17.45653         0.180600      0.038282      0.104910
      4.87259      8.20697     19.99699        -0.278991      0.092483     -0.189987
      3.73451      6.80322     18.86406         0.035819     -0.141959      0.192280
      4.77970      8.36909     17.78754        -0.430657     -0.008465      0.151449
      3.30163     11.49673     14.26634        -0.025721      0.165774      0.002467
      2.61600     11.53858     16.33704        -0.057027     -0.057725      0.135490
      4.04349     10.05248     15.71248         0.099954     -0.033233     -0.036449
     17.29554     11.26901     13.24887        -0.010730      0.041710      0.131295
     18.82548      9.88125     12.63396        -0.096297      0.048361      0.017667
     18.03672      9.80062     14.68407         0.065632     -0.016292      0.022276
     16.21625     14.17310      9.87407         0.121320      0.066725     -0.153201
     17.79987     14.93440      8.53515         0.061491     -0.106842      0.036045
     16.26823     13.65336      7.73442         0.035454      0.002246     -0.001107
      1.79782     12.53528     12.36386         0.161301      0.171100      0.058318
      0.37872     11.06993     11.80287        -0.126628     -0.205832      0.127851
      1.39445     12.21174     10.24891         0.063063      0.074710     -0.046322
      1.29199     15.69550      6.96299        -0.149305      0.030332     -0.126986
      0.13252     15.68627      8.82855        -0.060039     -0.092206     -0.074938
      1.59286     14.15966      8.47957         0.103485     -0.092443     -0.191403
     17.53041     16.22633      2.63618         0.161809      0.142263     -0.007980
     19.06219     14.73917      3.05453         0.122924      0.055069      0.035664
     17.07635     14.60355      4.00627         0.181539      0.036345     -0.136447
 -----------------------------------------------------------------------------------
    total drift:                               -0.003835      0.012128      0.009316


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4572.7151789755 eV

  energy  without entropy=    -4572.8643364100  energy(sigma->0) =    -4572.76489812
 
 d Force = 0.5891021E+00[ 0.275E+00, 0.903E+00]  d Energy = 0.5887510E+00 0.351E-03
 d Force = 0.8035723E+03[ 0.802E+03, 0.805E+03]  d Ewald  = 0.8035726E+03-0.342E-03


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.588751  1 .order   -0.589102   -0.903444   -0.274760
  (g-gl).g = 0.362E+01      g.g   = 0.358E+01  gl.gl    = 0.362E+01
 g(Force)  = 0.358E+01   g(Stress)= 0.000E+00 ortho     =-0.103E-01
 gamma     =   0.99953
 trial     =   0.25290
 opt step  =   0.36342  (harmonic =   0.36342) maximal distance =0.05761842
 next E    = -4572.775571   (d E  =  -0.64914)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   65(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3160
 total energy-change (2. order) : 0.1032956E+00  (-0.8178092E+01)
 number of electron    2497.9999938 magnetization 
 augmentation part      162.7238344 magnetization 

  free energy =  -0.457261187374E+04  energy without entropy=  -0.457276124107E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   65(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3512
 total energy-change (2. order) :-0.1677477E+00  (-0.2050724E+00)
 number of electron    2497.9999938 magnetization 
 augmentation part      162.7441260 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8765
  0.8765

  free energy =  -0.457277962142E+04  energy without entropy=  -0.457292884113E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   65(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3672
 total energy-change (2. order) : 0.5623190E-02  (-0.4267560E-02)
 number of electron    2497.9999938 magnetization 
 augmentation part      162.7301435 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4232
  1.0873  1.7592

  free energy =  -0.457277399823E+04  energy without entropy=  -0.457292370056E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   65(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3568
 total energy-change (2. order) :-0.1614263E-02  (-0.3537354E-02)
 number of electron    2497.9999938 magnetization 
 augmentation part      162.7221087 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2865
  2.2027  0.8284  0.8284

  free energy =  -0.457277561249E+04  energy without entropy=  -0.457292481057E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   65(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3616
 total energy-change (2. order) :-0.2638077E-03  (-0.7192746E-03)
 number of electron    2497.9999938 magnetization 
 augmentation part      162.7240967 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3110
  2.3732  0.9892  0.9892  0.8925

  free energy =  -0.457277587630E+04  energy without entropy=  -0.457292559497E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   65(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) : 0.2939375E-03  (-0.3702541E-03)
 number of electron    2497.9999938 magnetization 
 augmentation part      162.7241614 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2336
  2.3983  1.0624  1.0624  0.8226  0.8226

  free energy =  -0.457277558236E+04  energy without entropy=  -0.457292496074E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   65(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3472
 total energy-change (2. order) :-0.1608938E-04  (-0.7942164E-04)
 number of electron    2497.9999938 magnetization 
 augmentation part      162.7246400 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2163
  2.3930  0.9518  0.9518  1.1864  1.1864  0.6287

  free energy =  -0.457277559845E+04  energy without entropy=  -0.457292534402E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   65(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) : 0.1816187E-04  (-0.1094873E-04)
 number of electron    2497.9999938 magnetization 
 augmentation part      162.7256361 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2255
  2.4623  1.0647  1.0647  1.2779  1.2779  0.8507  0.5801

  free energy =  -0.457277558029E+04  energy without entropy=  -0.457292521311E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   65(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3304
 total energy-change (2. order) :-0.3529480E-05  (-0.8953586E-05)
 number of electron    2497.9999938 magnetization 
 augmentation part      162.7256361 magnetization 

  free energy =  -0.457277558382E+04  energy without entropy=  -0.457292522671E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0503       2 -56.1111       3 -56.0039       4 -55.8281       5 -55.8009
       6 -56.2696       7 -58.1816       8 -58.2168       9 -56.2247      10 -55.9057
      11 -55.9858      12 -55.7606      13 -55.7772      14 -55.9651      15 -58.0692
      16 -58.0716      17 -56.3444      18 -54.9770      19 -54.8657      20 -55.0871
      21 -55.6477      22 -55.6030      23 -55.6185      24 -55.6014      25 -54.9920
      26 -54.7172      27 -54.9022      28 -54.9291      29 -60.3754      30 -60.3546
      31 -55.6468      32 -55.7946      33 -55.6918      34 -55.3394      35 -55.4693
      36 -55.9694      37 -57.7844      38 -57.9926      39 -56.0586      40 -55.7609
      41 -55.8875      42 -55.6648      43 -55.7157      44 -55.8847      45 -58.0899
      46 -58.0972      47 -56.4464      48 -55.1145      49 -54.9318      50 -55.2733
      51 -55.8853      52 -55.8442      53 -55.7734      54 -55.7609      55 -55.1088
      56 -54.8635      57 -55.0094      58 -56.3843      59 -60.3612      60 -60.6119
      61 -55.9399      62 -55.9842      63 -55.8573      64 -55.7395      65 -55.7072
      66 -56.1990      67 -58.1022      68 -58.1561      69 -56.1859      70 -55.8543
      71 -55.9752      72 -55.6724      73 -55.6732      74 -55.9222      75 -58.0631
      76 -58.0970      77 -56.4048      78 -55.0892      79 -54.9314      80 -55.2251
      81 -55.8663      82 -55.8515      83 -55.8708      84 -55.9044      85 -55.2427
      86 -55.0230      87 -55.1866      88 -56.4151      89 -60.6739      90 -60.4466
      91 -55.7005      92 -55.8212      93 -55.7222      94 -55.4805      95 -55.5375
      96 -56.0519      97 -57.8943      98 -57.9801      99 -56.1722     100 -55.8804
     101 -56.0305     102 -55.6900     103 -55.7570     104 -55.9695     105 -58.1354
     106 -58.2022     107 -56.4656     108 -55.1645     109 -55.0026     110 -55.4164
     111 -55.9796     112 -55.9094     113 -55.7868     114 -55.8238     115 -55.0630
     116 -54.9302     117 -55.0403     118 -56.3306     119 -60.4671     120 -60.6228
     121 -55.9510     122 -55.9868     123 -55.8326     124 -55.7560     125 -55.7436
     126 -56.1637     127 -58.0638     128 -58.1794     129 -56.1112     130 -55.7494
     131 -55.8638     132 -55.6533     133 -55.5830     134 -55.7902     135 -57.8856
     136 -58.0375     137 -56.3854     138 -55.0474     139 -54.8616     140 -55.2755
     141 -55.8856     142 -55.8133     143 -55.8756     144 -55.8618     145 -55.1738
     146 -55.0612     147 -55.1741     148 -56.3971     149 -60.5327     150 -60.5563
     151 -55.6316     152 -55.6606     153 -55.4962     154 -55.3756     155 -55.4337
     156 -55.8922     157 -57.9437     158 -57.8774     159 -56.0167     160 -55.7567
     161 -55.9296     162 -55.5459     163 -55.6007     164 -55.8212     165 -57.9649
     166 -58.0891     167 -56.4274     168 -55.0363     169 -54.8125     170 -55.2815
     171 -55.8863     172 -55.8749     173 -55.8489     174 -55.7865     175 -55.3367
     176 -54.8859     177 -55.0561     178 -56.4977     179 -60.4605     180 -60.5919
     181 -55.9339     182 -56.1053     183 -55.9451     184 -55.6973     185 -55.6995
     186 -56.2591     187 -58.0270     188 -58.2359     189 -56.2563     190 -55.8582
     191 -56.0155     192 -55.7404     193 -55.7333     194 -55.9474     195 -58.0575
     196 -58.1973     197 -56.5048     198 -55.0664     199 -54.9243     200 -55.2670
     201 -55.8763     202 -55.8899     203 -55.9235     204 -55.8877     205 -55.1622
     206 -55.2296     207 -55.2108     208 -56.4786     209 -60.7311     210 -60.5009
     211 -55.9731     212 -56.0691     213 -55.9216     214 -55.7555     215 -55.6933
     216 -56.2374     217 -58.1144     218 -58.2092     219 -56.1111     220 -55.7849
     221 -55.9005     222 -55.5494     223 -55.4809     224 -55.8003     225 -57.9422
     226 -58.1112     227 -56.5224     228 -55.0988     229 -54.9929     230 -55.2765
     231 -55.7898     232 -55.8498     233 -55.8464     234 -55.7286     235 -54.9877
     236 -55.1009     237 -55.2165     238 -56.4566     239 -60.3895     240 -60.3683
     241 -55.9725     242 -56.0063     243 -55.8777     244 -55.7523     245 -55.7441
     246 -56.1792     247 -58.0874     248 -58.1310     249 -56.1636     250 -55.8436
     251 -55.9705     252 -55.7273     253 -55.7257     254 -55.8936     255 -57.9796
     256 -58.0591     257 -56.3313     258 -55.0380     259 -54.8077     260 -55.2106
     261 -55.8153     262 -55.8157     263 -55.9394     264 -55.9840     265 -55.3705
     266 -55.0119     267 -55.2107     268 -56.4277     269 -60.6331     270 -60.3565
     271 -55.8898     272 -55.9610     273 -55.8168     274 -55.7073     275 -55.6603
     276 -56.0934     277 -58.0923     278 -58.1587     279 -55.9632     280 -55.6619
     281 -55.7845     282 -55.5259     283 -55.5320     284 -55.8165     285 -58.0757
     286 -57.9486     287 -56.4269     288 -55.0347     289 -54.9112     290 -55.2534
     291 -55.8834     292 -55.8425     293 -55.8612     294 -55.8669     295 -55.2475
     296 -54.9684     297 -55.0742     298 -56.4558     299 -60.4777     300 -60.6008
     301 -55.8635     302 -56.0013     303 -55.8831     304 -55.5960     305 -55.6277
     306 -56.1329     307 -58.0512     308 -58.2204     309 -56.1456     310 -55.8099
     311 -55.9401     312 -55.6586     313 -55.6359     314 -55.8624     315 -57.9658
     316 -58.0650     317 -56.3670     318 -54.9738     319 -54.7526     320 -55.2398
     321 -55.7811     322 -55.7029     323 -55.8490     324 -55.8860     325 -55.2055
     326 -55.0559     327 -55.2192     328 -56.4275     329 -60.5683     330 -60.4158
     331 -55.7671     332 -55.7993     333 -55.6802     334 -55.6069     335 -55.5813
     336 -56.0368     337 -57.9535     338 -57.9391     339 -55.9299     340 -55.6012
     341 -55.7612     342 -55.5272     343 -55.5356     344 -55.7745     345 -57.9439
     346 -57.9380     347 -56.4906     348 -55.0231     349 -54.9380     350 -55.2807
     351 -55.8551     352 -55.8086     353 -55.7644     354 -55.7656     355 -55.2187
     356 -54.8952     357 -54.9950     358 -56.4283     359 -60.4608     360 -60.5600
     361 -39.1369     362 -38.8424     363 -38.9930     364 -39.0699     365 -38.9587
     366 -38.7380     367 -38.0879     368 -38.1179     369 -38.0271     370 -38.1256
     371 -38.1705     372 -38.2320     373 -38.7579     374 -38.3093     375 -38.7209
     376 -38.8275     377 -38.8452     378 -38.7361     379 -38.1781     380 -38.1662
     381 -38.2586     382 -38.0423     383 -38.2729     384 -38.0628     385 -38.9596
     386 -38.8164     387 -38.8880     388 -38.8902     389 -38.8129     390 -38.5422
     391 -38.2254     392 -38.3104     393 -38.1950     394 -38.1788     395 -38.2270
     396 -38.3530     397 -38.7486     398 -38.4428     399 -38.7901     400 -38.9060
     401 -38.8027     402 -38.7770     403 -38.2812     404 -38.2314     405 -38.4571
     406 -38.1584     407 -38.1258     408 -37.9453     409 -38.8194     410 -38.7799
     411 -38.9822     412 -38.7654     413 -38.9103     414 -38.6259     415 -38.2525
     416 -38.3140     417 -38.2296     418 -38.1809     419 -38.2143     420 -38.3614
     421 -38.6130     422 -38.3071     423 -38.5579     424 -38.7284     425 -38.6081
     426 -38.6285     427 -38.2175     428 -38.1102     429 -38.3365     430 -38.2660
     431 -38.1264     432 -38.0521     433 -38.8403     434 -38.7708     435 -38.9730
     436 -38.7697     437 -38.9777     438 -38.6894     439 -38.4228     440 -38.1734
     441 -38.1459     442 -38.2234     443 -38.2830     444 -38.1726     445 -38.9594
     446 -38.8914     447 -38.9456     448 -38.7720     449 -38.7506     450 -38.3808
     451 -38.0828     452 -37.9716     453 -38.1316     454 -37.9761     455 -38.0647
     456 -38.1513     457 -38.9678     458 -38.7126     459 -38.9109     460 -38.9336
     461 -38.8811     462 -38.6787     463 -38.2664     464 -38.2471     465 -38.1376
     466 -38.4804     467 -38.1982     468 -38.2497     469 -38.9257     470 -38.6795
     471 -38.7509     472 -38.7741     473 -38.6133     474 -38.4582     475 -38.2241
     476 -38.1363     477 -38.2093     478 -38.1283     479 -38.1789     480 -38.0840
     481 -38.9074     482 -38.7599     483 -38.8979     484 -38.8910     485 -38.9419
     486 -38.7399     487 -38.1606     488 -38.2362     489 -38.2351     490 -38.2589
     491 -38.1949     492 -38.4024     493 -38.8403     494 -38.5396     495 -38.6449
     496 -38.7298     497 -38.5025     498 -38.4951     499 -38.2086     500 -37.9943
     501 -38.1800     502 -38.1703     503 -38.1258     504 -38.0504     505 -38.2747
     506 -41.0659     507 -71.6562     508 -71.5232     509 -71.3683     510 -71.5407
     511 -71.4385     512 -71.4809     513 -71.3635     514 -71.5782     515 -71.5507
     516 -71.4268     517 -71.4099     518 -71.5366     519 -71.5245     520 -71.6203
     521 -71.4954     522 -71.4365     523 -71.5261     524 -71.4500     525 -71.5504
     526 -71.4321     527 -71.5598     528 -71.4591     529 -71.1841     530 -71.5651
     531 -76.8675     532 -76.8834     533 -76.7591     534 -76.7567     535 -76.6362
     536 -76.4789     537 -76.7553     538 -76.8127     539 -76.9239     540 -76.8136
     541 -76.7783     542 -76.7410     543 -76.6136     544 -76.6532     545 -76.8763
     546 -76.8162     547 -76.8460     548 -76.7475     549 -76.7315     550 -76.5289
     551 -76.5699     552 -76.6422     553 -76.6563     554 -76.6348     555 -76.9084
     556 -76.7117     557 -76.8834     558 -76.7194     559 -76.9024     560 -76.8055
     561 -76.7713     562 -76.5868     563 -76.7890     564 -76.7743     565 -76.7050
     566 -76.6689     567 -76.8706     568 -76.7975     569 -76.5235     570 -76.8182
     571 -76.9015     572 -76.7625     573 -76.7662     574 -76.6271     575 -76.5913
     576 -76.6032     577 -76.5385     578 -76.4734     579 -82.3710     580 -82.2559
     581 -82.2411     582 -82.3765     583 -82.2331     584 -82.2320     585 -82.4418
     586 -82.4933     587 -82.6211     588 -82.1884     589 -82.0842     590 -82.3489
     591 -82.4195     592 -82.2212     593 -82.2623     594 -82.6845     595 -82.4319
     596 -82.7019     597 -82.4367     598 -82.4637     599 -82.6309     600 -82.1958
     601 -82.2880     602 -82.4612     603 -82.4564     604 -82.3281     605 -82.5879
     606 -82.3596     607 -82.4108     608 -82.5476     609 -82.6924     610 -82.2982
     611 -82.4585     612 -82.4801     613 -82.2455     614 -82.2847     615 -82.4338
     616 -82.5639     617 -82.3900     618 -82.7586     619 -82.6474     620 -82.7434
     621 -82.2074     622 -82.4202     623 -82.3024     624 -82.3765     625 -82.3650
     626 -82.1777     627 -82.2176     628 -82.2792     629 -82.1836     630 -82.3338
     631 -82.6994     632 -82.3395     633 -82.4668     634 -82.5150     635 -82.5731
     636 -82.3444     637 -82.3860     638 -82.2498     639 -82.1985     640 -82.3648
     641 -82.3786     642 -82.4207     643 -82.5770     644 -82.3717     645 -82.3945
     646 -82.4067     647 -82.5707     648 -82.3810     649 -82.3441     650 -82.2539
 
 
 
 E-fermi :  -1.4656     XC(G=0):  -6.5066     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
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      2     -28.9588      2.00000
      3     -28.9261      2.00000
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     12     -28.7691      2.00000
     13     -28.7325      2.00000
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     21     -28.6003      2.00000
     22     -28.5692      2.00000
     23     -28.5391      2.00000
     24     -28.5228      2.00000
     25     -26.9349      2.00000
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     27     -26.6919      2.00000
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     29     -26.6603      2.00000
     30     -26.6154      2.00000
     31     -26.6047      2.00000
     32     -26.6031      2.00000
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   1190      -2.5580      2.00000
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   1194      -2.5091      2.00000
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   1197      -2.4909      2.00000
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   1199      -2.4740      2.00000
   1200      -2.4683      2.00000
   1201      -2.4663      2.00000
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   1210      -2.4054      2.00000
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   1213      -2.3917      2.00000
   1214      -2.3862      2.00000
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   1217      -2.3741      2.00000
   1218      -2.3708      2.00000
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   1220      -2.3607      2.00000
   1221      -2.3500      2.00000
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   1223      -2.3338      2.00000
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   1225      -2.3212      2.00000
   1226      -2.3144      2.00000
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   1229      -2.2842      2.00000
   1230      -2.2782      2.00000
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   1233      -2.2390      2.00000
   1234      -2.2255      2.00000
   1235      -2.2219      2.00000
   1236      -2.2151      2.00000
   1237      -2.1818      2.00001
   1238      -1.8164      2.03252
   1239      -1.7362      2.06667
   1240      -1.7137      2.07084
   1241      -1.7060      2.07075
   1242      -1.6998      2.06996
   1243      -1.6651      2.04977
   1244      -1.6393      2.01119
   1245      -1.6326      1.99704
   1246      -1.6156      1.95231
   1247      -1.6132      1.94502
   1248      -1.5966      1.88659
   1249      -1.5872      1.84734
   1250       0.1551     -0.00000
   1251       0.2041     -0.00000
   1252       0.2073     -0.00000
   1253       0.2454     -0.00000
   1254       0.2551     -0.00000
   1255       0.2636     -0.00000
   1256       0.2925     -0.00000
   1257       0.3283     -0.00000
   1258       0.3482     -0.00000
   1259       0.3554     -0.00000
   1260       0.3638     -0.00000
   1261       0.4360     -0.00000
   1262       0.6449     -0.00000
   1263       0.6526     -0.00000
   1264       0.7132     -0.00000
   1265       0.7160     -0.00000
   1266       0.7286     -0.00000
   1267       0.7299     -0.00000
   1268       0.7502     -0.00000
   1269       0.8106     -0.00000
   1270       0.8220     -0.00000
   1271       0.8352     -0.00000
   1272       0.8375     -0.00000
   1273       0.8752     -0.00000
   1274       0.8845     -0.00000
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   1276       0.9213     -0.00000
   1277       0.9450     -0.00000
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   1279       0.9838     -0.00000
   1280       1.0134     -0.00000
   1281       1.0197     -0.00000
   1282       1.0410     -0.00000
   1283       1.1144     -0.00000
   1284       1.1211     -0.00000
   1285       1.1659     -0.00000
   1286       1.2201     -0.00000
   1287       1.2422     -0.00000
   1288       1.3121     -0.00000
   1289       1.3518     -0.00000
   1290       1.3796     -0.00000
   1291       1.4646     -0.00000
   1292       1.5086     -0.00000
   1293       1.5209     -0.00000
   1294       1.5510     -0.00000
   1295       1.5781     -0.00000
   1296       1.6210     -0.00000
   1297       1.6479     -0.00000
   1298       1.8203     -0.00000
   1299       1.8592     -0.00000
   1300       1.8724     -0.00000
   1301       1.9052     -0.00000
   1302       1.9283     -0.00000
   1303       1.9374     -0.00000
   1304       1.9874     -0.00000
   1305       2.0068     -0.00000
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   1311       2.1338     -0.00000
   1312       2.1411     -0.00000
   1313       2.1482     -0.00000
   1314       2.1610     -0.00000
   1315       2.1843     -0.00000
   1316       2.2018     -0.00000
   1317       2.2102     -0.00000
   1318       2.2233     -0.00000
   1319       2.2481     -0.00000
   1320       2.2690     -0.00000
   1321       2.3438     -0.00000
   1322       2.4364     -0.00000
   1323       2.4540     -0.00000
   1324       2.4611     -0.00000
   1325       2.4880     -0.00000
   1326       2.5139     -0.00000
   1327       2.5267     -0.00000
   1328       2.5304     -0.00000
   1329       2.5477     -0.00000
   1330       2.5621     -0.00000
   1331       2.5704     -0.00000
   1332       2.5821     -0.00000
   1333       2.6002     -0.00000
   1334       2.6098     -0.00000
   1335       2.6349     -0.00000
   1336       2.6547     -0.00000
   1337       2.6597     -0.00000
   1338       2.6677     -0.00000
   1339       2.6748     -0.00000
   1340       2.6817     -0.00000
   1341       2.6941     -0.00000
   1342       2.7210     -0.00000
   1343       2.7686     -0.00000
   1344       2.7833     -0.00000
   1345       2.7926     -0.00000
   1346       2.9544     -0.00000
   1347       2.9802     -0.00000
   1348       3.0179     -0.00000
   1349       3.0199     -0.00000
   1350       3.0421     -0.00000
   1351       3.0697     -0.00000
   1352       3.0833     -0.00000
   1353       3.1035     -0.00000
   1354       3.1293     -0.00000
   1355       3.1426     -0.00000
   1356       3.1604     -0.00000
   1357       3.1679     -0.00000
   1358       3.1772     -0.00000
   1359       3.2116     -0.00000
   1360       3.2423     -0.00000
   1361       3.2817     -0.00000
   1362       3.3498     -0.00000
   1363       3.4537     -0.00000
   1364       3.5185     -0.00000
   1365       3.5745     -0.00000
   1366       3.6233     -0.00000
   1367       3.6471     -0.00000
   1368       3.7053     -0.00000
   1369       3.7373     -0.00000
   1370       3.7549     -0.00000
   1371       3.7930     -0.00000
   1372       3.8178     -0.00000
   1373       3.8523     -0.00000
   1374       3.8707      0.00000
   1375       3.8794      0.00000
   1376       3.8974      0.00000
   1377       3.9035      0.00000
   1378       3.9244      0.00000
   1379       3.9391      0.00000
   1380       3.9481      0.00000
   1381       3.9603      0.00000
   1382       3.9691      0.00000
   1383       3.9799      0.00000
   1384       3.9987      0.00000
   1385       4.0149      0.00000
   1386       4.0259      0.00000
   1387       4.0307      0.00000
   1388       4.0348      0.00000
   1389       4.0475      0.00000
   1390       4.0543      0.00000
   1391       4.0819      0.00000
   1392       4.0971      0.00000
   1393       4.1077      0.00000
   1394       4.1150      0.00000
   1395       4.1235      0.00000
   1396       4.1377      0.00000
   1397       4.1560      0.00000
   1398       4.1635      0.00000
   1399       4.1744      0.00000
   1400       4.1867      0.00000
   1401       4.1920      0.00000
   1402       4.2106      0.00000
   1403       4.2361      0.00000
   1404       4.2382      0.00000
   1405       4.2494      0.00000
   1406       4.2736      0.00000
   1407       4.2740      0.00000
   1408       4.3068      0.00000
   1409       4.3238      0.00000
   1410       4.3299      0.00000
   1411       4.3517      0.00000
   1412       4.3564      0.00000
   1413       4.3611      0.00000
   1414       4.3854      0.00000
   1415       4.4080      0.00000
   1416       4.4146      0.00000
   1417       4.4288      0.00000
   1418       4.4335      0.00000
   1419       4.4520      0.00000
   1420       4.4584      0.00000
   1421       4.4760      0.00000
   1422       4.4854      0.00000
   1423       4.5020      0.00000
   1424       4.5199      0.00000
   1425       4.5403      0.00000
   1426       4.5566      0.00000
   1427       4.5668      0.00000
   1428       4.5831      0.00000
   1429       4.5975      0.00000
   1430       4.6228      0.00000
   1431       4.6466      0.00000
   1432       4.6675      0.00000
   1433       4.6907      0.00000
   1434       4.6965      0.00000
   1435       4.7686      0.00000
   1436       4.7793      0.00000
   1437       4.8098      0.00000
   1438       4.8186      0.00000
   1439       4.8364      0.00000
   1440       4.8479      0.00000
   1441       4.8743      0.00000
   1442       4.8794      0.00000
   1443       4.9145      0.00000
   1444       4.9409      0.00000
   1445       4.9460      0.00000
   1446       4.9507      0.00000
   1447       4.9730      0.00000
   1448       4.9808      0.00000
   1449       5.0100      0.00000
   1450       5.0110      0.00000
   1451       5.0352      0.00000
   1452       5.0498      0.00000
   1453       5.0619      0.00000
   1454       5.0784      0.00000
   1455       5.1024      0.00000
   1456       5.1076      0.00000
   1457       5.1128      0.00000
   1458       5.1323      0.00000
   1459       5.1365      0.00000
   1460       5.1505      0.00000
   1461       5.1821      0.00000
   1462       5.1972      0.00000
   1463       5.2122      0.00000
   1464       5.2291      0.00000
   1465       5.2374      0.00000
   1466       5.2472      0.00000
   1467       5.2717      0.00000
   1468       5.2732      0.00000
   1469       5.2755      0.00000
   1470       5.2877      0.00000
   1471       5.3030      0.00000
   1472       5.3161      0.00000
   1473       5.3236      0.00000
   1474       5.3374      0.00000
   1475       5.3492      0.00000
   1476       5.3552      0.00000
   1477       5.3611      0.00000
   1478       5.3637      0.00000
   1479       5.3776      0.00000
   1480       5.3855      0.00000
   1481       5.3921      0.00000
   1482       5.4091      0.00000
   1483       5.4178      0.00000
   1484       5.4245      0.00000
   1485       5.4387      0.00000
   1486       5.4429      0.00000
   1487       5.4490      0.00000
   1488       5.4630      0.00000
   1489       5.4724      0.00000
   1490       5.4759      0.00000
   1491       5.4929      0.00000
   1492       5.4967      0.00000
   1493       5.5028      0.00000
   1494       5.5083      0.00000
   1495       5.5181      0.00000
   1496       5.5244      0.00000
   1497       5.5372      0.00000
   1498       5.5401      0.00000
   1499       5.5555      0.00000
   1500       5.5572      0.00000
   1501       5.5636      0.00000
   1502       5.5779      0.00000
   1503       5.5944      0.00000
   1504       5.6073      0.00000
   1505       5.6134      0.00000
   1506       5.6161      0.00000
   1507       5.6269      0.00000
   1508       5.6436      0.00000
   1509       5.6573      0.00000
   1510       5.6591      0.00000
   1511       5.6674      0.00000
   1512       5.6689      0.00000
   1513       5.6766      0.00000
   1514       5.6934      0.00000
   1515       5.7078      0.00000
   1516       5.7236      0.00000
   1517       5.7329      0.00000
   1518       5.7378      0.00000
   1519       5.7497      0.00000
   1520       5.7572      0.00000
   1521       5.7653      0.00000
   1522       5.7759      0.00000
   1523       5.7947      0.00000
   1524       5.7993      0.00000
   1525       5.8045      0.00000
   1526       5.8164      0.00000
   1527       5.8207      0.00000
   1528       5.8313      0.00000
   1529       5.8460      0.00000
   1530       5.8567      0.00000
   1531       5.8792      0.00000
   1532       5.8823      0.00000
   1533       5.8940      0.00000
   1534       5.9041      0.00000
   1535       5.9048      0.00000
   1536       5.9158      0.00000
   1537       5.9234      0.00000
   1538       5.9269      0.00000
   1539       5.9348      0.00000
   1540       5.9501      0.00000
   1541       5.9579      0.00000
   1542       5.9779      0.00000
   1543       5.9814      0.00000
   1544       5.9876      0.00000
   1545       6.0034      0.00000
   1546       6.0056      0.00000
   1547       6.0231      0.00000
   1548       6.0268      0.00000
   1549       6.0350      0.00000
   1550       6.0399      0.00000
   1551       6.0539      0.00000
   1552       6.0562      0.00000
   1553       6.0618      0.00000
   1554       6.0768      0.00000
   1555       6.0832      0.00000
   1556       6.0949      0.00000
   1557       6.0975      0.00000
   1558       6.1110      0.00000
   1559       6.1287      0.00000
   1560       6.1333      0.00000
   1561       6.1403      0.00000
   1562       6.1484      0.00000
   1563       6.1703      0.00000
   1564       6.1734      0.00000
   1565       6.1811      0.00000
   1566       6.1834      0.00000
   1567       6.1883      0.00000
   1568       6.2060      0.00000
   1569       6.2171      0.00000
   1570       6.2234      0.00000
   1571       6.2306      0.00000
   1572       6.2368      0.00000
   1573       6.2415      0.00000
   1574       6.2465      0.00000
   1575       6.2494      0.00000
   1576       6.2676      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.088  13.412  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.412  17.831  -0.001   0.002  -0.000   0.002  -0.006   0.000
 -0.001  -0.001  -4.234   0.003   0.001   8.281  -0.004  -0.001
  0.001   0.002   0.003  -4.234   0.001  -0.004   8.280  -0.001
 -0.000  -0.000   0.001   0.001  -4.227  -0.001  -0.001   8.272
  0.002   0.002   8.281  -0.004  -0.001 -18.328   0.007   0.002
 -0.004  -0.006  -0.004   8.280  -0.001   0.007 -18.323  -0.000
  0.000   0.000  -0.001  -0.001   8.272   0.002  -0.000 -18.318
 total augmentation occupancy for first ion, spin component:           1
  8.387  -3.768   0.181   0.149  -0.043   0.023   0.028  -0.007
 -3.768   1.766  -0.094  -0.101   0.025  -0.010  -0.016   0.004
  0.181  -0.094   1.770  -0.061  -0.040   0.167  -0.012  -0.008
  0.149  -0.101  -0.061   1.890  -0.089  -0.012   0.176  -0.012
 -0.043   0.025  -0.040  -0.089   1.223  -0.008  -0.012   0.080
  0.023  -0.010   0.167  -0.012  -0.008   0.017  -0.002  -0.001
  0.028  -0.016  -0.012   0.176  -0.012  -0.002   0.018  -0.002
 -0.007   0.004  -0.008  -0.012   0.080  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -50383.89735 91102.29258 22974.24029-10598.20499  6416.97854 19677.94096
  Hartree  5266.84170118071.07951 60869.70397-11021.89681  4412.05026 13944.74783
  E(xc)  -10736.34332-10589.76040-10631.24546     2.82093     8.03369    33.10072
  Local   11688.54312************************ 21613.98891-10855.74691-33026.42435
  n-local -5846.71333 -5983.29146 -6037.02399     4.35608    17.39290   -64.29434
  augment  1493.54673  1535.86936  1486.90895     4.84994    12.55447    -3.48127
  Kinetic 45500.12462 43271.58465 43658.05419   -26.87431   -66.53029  -570.83972
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -110.0391069   -385.1000290   -146.9494336    -20.9602555    -55.2673291     -9.2501586
  in kB      -18.3499019    -64.2185123    -24.5049943     -3.4952904     -9.2162695     -1.5425380
  external PRESSURE =     -35.6911362 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.230E+03 -.109E+03 0.249E+03   0.230E+03 0.109E+03 -.250E+03   -.128E+00 -.477E+00 0.151E+01   0.676E-03 0.109E-02 -.864E-03
   -.188E+03 -.135E+03 0.617E+02   0.188E+03 0.136E+03 -.615E+02   0.314E+00 -.123E+01 -.350E+00   0.529E-03 0.310E-03 -.862E-03
   -.159E+03 -.124E+03 0.557E+01   0.159E+03 0.125E+03 -.403E+01   0.289E+00 -.136E+01 -.162E+01   0.286E-03 -.758E-04 -.970E-03
   -.217E+03 -.941E+02 0.336E+03   0.217E+03 0.940E+02 -.338E+03   -.304E+00 -.231E-01 0.252E+01   0.467E-03 0.520E-03 -.135E-02
   -.164E+03 -.146E+03 0.300E+03   0.164E+03 0.147E+03 -.301E+03   0.878E-01 -.753E+00 0.103E+01   -.122E-03 0.319E-04 -.161E-02
   -.143E+03 -.111E+03 0.167E+03   0.143E+03 0.111E+03 -.167E+03   0.193E+00 -.173E+00 0.146E+00   -.763E-04 -.494E-03 -.124E-02
   -.229E+03 -.131E+03 0.176E+03   0.228E+03 0.136E+03 -.176E+03   0.767E+00 -.434E+01 0.899E+00   0.864E-03 0.872E-03 -.217E-03
   -.181E+03 -.109E+03 0.331E+02   0.182E+03 0.113E+03 -.350E+02   -.416E+00 -.407E+01 0.201E+01   0.572E-03 0.449E-03 -.792E-03
   -.103E+03 0.506E+01 0.194E+03   0.103E+03 -.507E+01 -.194E+03   0.127E+00 -.159E-01 0.104E+00   -.244E-03 -.641E-03 -.969E-03
   -.807E+02 0.867E+02 0.620E+02   0.802E+02 -.881E+02 -.609E+02   0.550E+00 0.151E+01 -.119E+01   -.202E-04 -.624E-03 -.570E-03
   -.908E+02 0.104E+03 0.135E+03   0.907E+02 -.105E+03 -.136E+03   0.923E-01 0.106E+01 0.910E-01   -.244E-03 -.560E-03 -.354E-03
   -.104E+03 -.282E+01 0.330E+03   0.105E+03 0.258E+01 -.331E+03   -.193E+00 0.270E+00 0.112E+01   -.581E-03 -.911E-03 -.133E-02
   -.108E+03 -.448E+02 0.358E+03   0.109E+03 0.458E+02 -.361E+03   -.499E-01 -.101E+01 0.222E+01   -.269E-03 -.512E-03 -.932E-03
   -.113E+03 0.200E+02 0.303E+03   0.113E+03 -.199E+02 -.305E+03   -.275E+00 -.238E+00 0.151E+01   -.272E-03 -.903E-03 -.856E-03
   -.991E+02 0.110E+03 0.265E+03   0.984E+02 -.115E+03 -.267E+03   0.717E+00 0.373E+01 0.225E+01   -.182E-03 -.306E-03 -.674E-03
   -.865E+02 0.114E+03 0.104E+03   0.866E+02 -.117E+03 -.107E+03   0.638E-01 0.297E+01 0.349E+01   -.382E-03 -.532E-03 -.272E-03
   -.702E+02 0.112E+03 0.526E+02   0.706E+02 -.107E+03 -.485E+02   -.502E+00 -.460E+01 -.426E+01   -.627E-03 -.241E-03 -.169E-03
   -.425E+01 0.205E+03 -.149E+03   0.371E+01 -.206E+03 0.151E+03   0.529E+00 0.186E+01 -.197E+01   -.766E-03 -.103E-04 0.657E-04
   0.309E+02 0.151E+03 -.197E+03   -.311E+02 -.151E+03 0.199E+03   0.137E+00 0.120E+00 -.191E+01   -.889E-03 0.185E-03 0.272E-03
   -.666E+02 0.107E+03 0.180E+03   0.677E+02 -.106E+03 -.183E+03   -.941E+00 -.771E+00 0.311E+01   -.790E-03 -.331E-03 -.417E-04
   0.155E+01 0.691E+02 0.246E+01   -.271E+01 -.708E+02 -.129E+01   0.116E+01 0.150E+01 -.122E+01   -.644E-03 0.154E-03 0.246E-03
   0.101E+02 0.113E+02 -.128E+03   -.102E+02 -.116E+02 0.129E+03   0.242E-01 -.399E-02 -.705E+00   -.885E-03 0.109E-03 0.402E-03
   -.294E+02 -.325E+02 -.175E+03   0.297E+02 0.326E+02 0.174E+03   -.407E+00 -.303E+00 0.490E+00   -.675E-03 -.155E-03 0.587E-03
   -.384E+02 -.735E+02 -.231E+03   0.395E+02 0.752E+02 0.230E+03   -.117E+01 -.180E+01 0.101E+01   -.781E-03 -.196E-03 0.777E-03
   -.205E+02 -.158E+03 -.339E+03   0.199E+02 0.159E+03 0.341E+03   0.459E+00 -.754E+00 -.183E+01   -.463E-03 -.542E-03 0.104E-02
   -.105E+03 -.162E+03 -.158E+03   0.106E+03 0.162E+03 0.156E+03   -.108E+01 -.178E+00 0.159E+01   0.129E-04 -.261E-03 0.589E-03
   -.910E+02 -.281E+03 -.190E+03   0.913E+02 0.282E+03 0.190E+03   -.187E+00 -.944E+00 0.328E+00   0.481E-03 -.562E-04 0.774E-03
   -.404E+02 -.264E+03 -.290E+03   0.403E+02 0.266E+03 0.291E+03   0.364E-01 -.131E+01 -.510E+00   0.108E-03 -.350E-03 0.880E-03
   -.466E+02 -.222E+02 -.216E+03   0.525E+02 0.299E+02 0.211E+03   -.599E+01 -.780E+01 0.510E+01   -.843E-03 0.307E-03 0.235E-03
   -.314E+01 0.527E+02 0.231E+02   -.155E+01 -.615E+02 -.185E+02   0.487E+01 0.867E+01 -.477E+01   -.325E-04 0.680E-06 0.123E-02
   -.202E+03 -.266E+02 -.445E+02   0.203E+03 0.267E+02 0.462E+02   -.315E+00 -.702E-01 -.156E+01   0.365E-03 0.409E-03 -.368E-03
   -.135E+03 -.147E+03 0.137E+03   0.135E+03 0.149E+03 -.137E+03   0.114E+00 -.137E+01 -.247E+00   0.233E-03 0.241E-03 -.419E-03
   -.146E+03 -.156E+03 0.187E+03   0.146E+03 0.158E+03 -.188E+03   0.130E+00 -.181E+01 0.101E+01   -.176E-03 0.174E-03 -.359E-03
   -.298E+03 0.957E+01 -.167E+03   0.298E+03 -.113E+02 0.169E+03   0.114E+00 0.166E+01 -.273E+01   0.598E-03 0.637E-03 -.162E-03
   -.291E+03 -.644E+02 -.186E+03   0.291E+03 0.644E+02 0.187E+03   -.954E-01 -.999E-01 -.122E+01   0.666E-03 0.247E-03 0.422E-04
   -.211E+03 -.727E+02 0.454E+01   0.211E+03 0.726E+02 -.457E+01   0.336E+00 0.167E+00 -.760E-01   -.103E-05 0.957E-05 -.513E-04
   -.117E+03 -.533E+02 -.853E+01   0.118E+03 0.575E+02 0.110E+02   -.101E+01 -.397E+01 -.256E+01   0.448E-03 0.607E-03 -.648E-03
   -.742E+02 -.139E+03 0.114E+03   0.744E+02 0.143E+03 -.111E+03   -.302E+00 -.317E+01 -.369E+01   0.483E-03 0.451E-03 -.374E-03
   -.187E+03 0.475E+02 0.258E+00   0.187E+03 -.478E+02 -.362E+00   0.776E-01 0.389E+00 0.144E-01   -.252E-03 -.114E-03 0.553E-04
   -.105E+03 0.549E+02 0.204E+03   0.105E+03 -.561E+02 -.205E+03   0.223E+00 0.123E+01 0.178E+01   -.514E-03 -.287E-03 0.863E-05
   -.755E+02 0.777E+02 0.114E+03   0.755E+02 -.792E+02 -.114E+03   0.658E-01 0.146E+01 0.290E+00   -.590E-03 -.216E-03 0.115E-04
   -.220E+03 0.894E+02 -.222E+03   0.220E+03 -.903E+02 0.222E+03   -.934E-03 0.844E+00 -.833E+00   -.297E-04 -.337E-03 -.180E-03
   -.183E+03 0.445E+02 -.296E+03   0.183E+03 -.446E+02 0.298E+03   0.896E-01 0.171E+00 -.221E+01   -.245E-03 -.890E-04 -.102E-03
   -.114E+03 0.584E+02 -.153E+03   0.114E+03 -.592E+02 0.154E+03   -.284E+00 0.635E+00 -.139E+01   -.695E-03 -.601E-03 0.653E-04
   -.643E+02 0.104E+03 -.857E+02   0.644E+02 -.109E+03 0.854E+02   -.590E-01 0.459E+01 -.524E+00   -.868E-03 0.427E-03 0.487E-03
   -.302E+02 0.827E+02 0.136E+03   0.298E+02 -.869E+02 -.134E+03   0.195E+00 0.451E+01 -.201E+01   -.477E-03 -.177E-03 0.803E-03
   0.204E+02 0.523E+02 0.101E+03   -.189E+02 -.469E+02 -.103E+03   -.172E+01 -.553E+01 0.196E+01   -.568E-03 -.156E-03 0.621E-03
   -.151E+02 0.134E+03 0.269E+03   0.160E+02 -.135E+03 -.271E+03   -.979E+00 0.115E+01 0.250E+01   -.130E-03 -.196E-04 0.923E-03
   -.385E+02 0.122E+03 0.231E+03   0.394E+02 -.122E+03 -.233E+03   -.870E+00 -.575E+00 0.212E+01   -.399E-03 0.367E-03 0.819E-03
   0.489E+02 0.722E+02 -.419E+02   -.501E+02 -.723E+02 0.449E+02   0.125E+01 0.182E+00 -.284E+01   -.876E-03 -.175E-03 0.341E-03
   0.824E+01 0.271E+02 0.360E+02   -.781E+01 -.281E+02 -.381E+02   -.492E+00 0.102E+01 0.209E+01   -.682E-03 0.187E-03 0.789E-04
   -.185E+02 0.142E+02 0.895E+02   0.190E+02 -.140E+02 -.903E+02   -.495E+00 -.310E+00 0.926E+00   -.439E-03 0.360E-03 0.322E-03
   -.766E+02 0.303E+00 0.416E+02   0.765E+02 -.391E+00 -.411E+02   0.168E+00 0.896E-01 -.691E+00   -.226E-03 0.486E-03 0.221E-03
   -.150E+03 -.132E+02 0.889E+02   0.149E+03 0.141E+02 -.871E+02   0.822E+00 -.776E+00 -.163E+01   -.225E-04 0.825E-03 0.699E-03
   -.238E+03 -.703E+02 0.159E+03   0.240E+03 0.703E+02 -.162E+03   -.134E+01 -.984E-01 0.305E+01   0.412E-03 0.101E-02 0.313E-03
   -.819E+02 -.108E+03 -.114E+03   0.815E+02 0.108E+03 0.116E+03   0.424E+00 0.627E+00 -.186E+01   -.113E-03 -.305E-03 -.912E-03
   -.111E+03 -.119E+03 -.161E+03   0.110E+03 0.120E+03 0.164E+03   0.647E+00 -.118E+01 -.283E+01   0.239E-03 0.639E-04 -.110E-02
   -.173E+03 -.515E+02 0.243E+02   0.172E+03 0.456E+02 -.224E+02   0.138E+01 0.602E+01 -.209E+01   0.541E-03 0.712E-03 -.597E-03
   -.186E+03 0.171E+02 0.134E+03   0.183E+03 -.112E+02 -.126E+03   0.321E+01 -.595E+01 -.836E+01   0.389E-03 0.764E-03 0.892E-03
   -.458E+02 -.574E+01 -.360E+02   0.473E+02 -.403E+00 0.269E+02   -.148E+01 0.625E+01 0.900E+01   -.126E-02 0.155E-03 -.621E-03
   -.349E+03 -.746E+02 0.831E+02   0.349E+03 0.751E+02 -.843E+02   0.382E-01 -.514E+00 0.148E+01   0.144E-02 -.838E-03 0.648E-03
   -.351E+03 -.996E+02 -.845E+02   0.351E+03 0.101E+03 0.851E+02   0.204E+00 -.133E+01 -.371E+00   0.133E-02 -.103E-02 0.161E-02
   -.324E+03 -.941E+02 -.134E+03   0.324E+03 0.952E+02 0.136E+03   -.696E-01 -.127E+01 -.168E+01   0.812E-03 -.178E-02 0.183E-02
   -.297E+03 -.636E+02 0.171E+03   0.298E+03 0.636E+02 -.173E+03   -.238E+00 -.217E+00 0.231E+01   0.132E-02 -.167E-02 0.373E-03
   -.244E+03 -.112E+03 0.129E+03   0.244E+03 0.113E+03 -.130E+03   0.150E+00 -.778E+00 0.810E+00   0.713E-03 -.133E-02 0.515E-03
   -.266E+03 -.809E+02 -.290E+01   0.266E+03 0.811E+02 0.304E+01   0.704E-01 -.132E+00 -.122E-01   0.352E-03 -.147E-02 0.955E-03
   -.361E+03 -.106E+03 0.792E+01   0.361E+03 0.111E+03 -.778E+01   0.513E+00 -.435E+01 0.689E+00   0.215E-02 -.134E-02 -.117E-03
   -.359E+03 -.972E+02 -.437E+02   0.360E+03 0.101E+03 0.398E+02   -.559E+00 -.405E+01 0.202E+01   0.161E-02 -.673E-03 0.279E-02
   -.223E+03 0.418E+02 0.172E+02   0.223E+03 -.419E+02 -.172E+02   0.293E-01 0.938E-01 -.342E-01   0.291E-03 -.566E-03 0.419E-03
   -.249E+03 0.115E+03 -.787E+02   0.249E+03 -.117E+03 0.799E+02   0.190E+00 0.158E+01 -.121E+01   0.552E-03 -.578E-03 0.640E-03
   -.245E+03 0.126E+03 -.284E+01   0.245E+03 -.128E+03 0.270E+01   0.110E+00 0.131E+01 0.180E+00   0.387E-03 0.899E-04 0.169E-03
   -.168E+03 0.389E+02 0.128E+03   0.168E+03 -.392E+02 -.130E+03   -.672E-01 0.373E+00 0.108E+01   0.292E-03 0.394E-03 -.105E-03
   -.161E+03 -.147E+02 0.136E+03   0.161E+03 0.157E+02 -.139E+03   -.586E-01 -.981E+00 0.248E+01   0.421E-03 0.968E-03 -.638E-03
   -.217E+03 0.315E+02 0.120E+03   0.217E+03 -.317E+02 -.122E+03   -.134E+00 0.617E-01 0.154E+01   0.443E-03 0.296E-03 -.488E-03
   -.230E+03 0.101E+03 0.109E+03   0.229E+03 -.106E+03 -.111E+03   0.525E+00 0.402E+01 0.218E+01   0.481E-03 0.349E-03 -.655E-03
   -.264E+03 0.142E+03 0.702E+02   0.264E+03 -.145E+03 -.740E+02   0.820E-01 0.319E+01 0.349E+01   0.227E-03 0.109E-03 -.247E-03
   -.254E+03 0.109E+03 0.956E+02   0.254E+03 -.104E+03 -.919E+02   0.491E+00 -.464E+01 -.394E+01   -.702E-04 -.116E-03 -.197E-03
   -.141E+03 0.199E+03 0.212E+02   0.140E+03 -.201E+03 -.196E+02   0.100E+01 0.149E+01 -.150E+01   -.669E-03 0.419E-03 -.553E-04
   -.778E+02 0.116E+03 0.476E+02   0.769E+02 -.116E+03 -.459E+02   0.961E+00 0.264E-01 -.185E+01   -.589E-03 0.762E-03 0.227E-03
   -.302E+03 0.930E+02 0.184E+03   0.304E+03 -.923E+02 -.186E+03   -.153E+01 -.600E+00 0.235E+01   0.936E-04 -.448E-03 0.352E-03
   -.214E+03 0.448E+02 0.102E+03   0.213E+03 -.462E+02 -.101E+03   0.102E+01 0.122E+01 -.109E+01   -.546E-04 0.253E-03 0.960E-03
   -.140E+03 -.665E+01 0.921E+02   0.140E+03 0.646E+01 -.916E+02   0.347E+00 0.766E-01 -.480E+00   -.367E-03 0.385E-03 0.622E-03
   -.128E+03 -.521E+01 0.120E+03   0.129E+03 0.531E+01 -.121E+03   -.360E+00 0.319E-01 0.656E+00   -.295E-04 0.468E-03 0.423E-03
   -.842E+02 -.403E+02 0.714E+02   0.857E+02 0.421E+02 -.726E+02   -.152E+01 -.167E+01 0.106E+01   -.105E-03 0.204E-03 -.133E-03
   -.554E+01 -.560E+02 -.211E+02   0.380E+01 0.554E+02 0.238E+02   0.172E+01 0.558E+00 -.282E+01   0.483E-04 0.359E-03 -.368E-03
   -.186E+03 -.126E+03 0.171E+03   0.187E+03 0.126E+03 -.173E+03   -.603E+00 -.112E+00 0.183E+01   0.153E-03 0.390E-03 0.342E-03
   -.138E+03 -.197E+03 0.192E+03   0.139E+03 0.198E+03 -.193E+03   -.104E+01 -.142E+01 0.137E+01   0.622E-03 0.482E-03 0.253E-03
   -.424E+02 -.889E+02 0.103E+03   0.429E+02 0.847E+02 -.107E+03   -.350E+00 0.443E+01 0.384E+01   0.404E-03 0.305E-03 0.138E-04
   -.518E+02 -.236E+02 0.575E+02   0.568E+02 0.322E+02 -.626E+02   -.527E+01 -.871E+01 0.493E+01   -.749E-03 -.168E-03 -.125E-02
   -.260E+03 0.374E+02 0.803E+02   0.255E+03 -.455E+02 -.755E+02   0.525E+01 0.790E+01 -.494E+01   0.118E-02 0.509E-03 0.191E-02
   -.234E+03 -.161E+02 -.119E+03   0.234E+03 0.162E+02 0.121E+03   -.411E+00 -.929E-01 -.149E+01   0.146E-02 -.535E-03 0.115E-02
   -.196E+03 -.147E+03 0.505E+02   0.196E+03 0.148E+03 -.503E+02   0.121E+00 -.137E+01 -.187E+00   0.431E-03 -.477E-03 0.764E-03
   -.182E+03 -.180E+03 0.102E+03   0.181E+03 0.182E+03 -.103E+03   0.324E+00 -.169E+01 0.100E+01   -.140E-03 -.471E-03 0.506E-03
   -.282E+03 0.368E+02 -.209E+03   0.282E+03 -.381E+02 0.211E+03   0.208E+00 0.126E+01 -.233E+01   0.230E-02 -.118E-02 0.804E-03
   -.283E+03 -.485E+02 -.177E+03   0.283E+03 0.485E+02 0.178E+03   0.177E-01 -.190E+00 -.121E+01   0.161E-02 -.104E-02 0.465E-03
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   -.260E+03 -.107E+03 0.261E+02   0.298E+03 0.790E+02 -.489E+00   -.384E+02 0.279E+02 -.259E+02   0.396E-02 0.220E-03 -.312E-02
   0.590E+02 -.200E+03 0.815E+03   -.813E+02 0.229E+03 -.856E+03   0.225E+02 -.280E+02 0.410E+02   0.148E-02 0.175E-02 -.236E-02
   -.150E+03 0.197E+03 0.572E+03   0.188E+03 -.225E+03 -.595E+03   -.375E+02 0.284E+02 0.229E+02   0.256E-02 0.123E-02 -.234E-02
   0.171E+03 0.386E+03 0.362E+03   -.208E+03 -.417E+03 -.350E+03   0.380E+02 0.309E+02 -.121E+02   -.676E-03 0.412E-03 -.180E-02
 -----------------------------------------------------------------------------------------------
   0.199E+02 -.938E+01 -.617E+01   0.529E-11 0.284E-11 -.603E-11   -.199E+02 0.937E+01 0.615E+01   0.490E-01 0.266E-01 0.388E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.10661      3.15602      1.33849        -0.014044      0.069006      0.067568
     12.87766      3.58412      2.64550         0.046913      0.011679     -0.113514
     12.84752      4.94330      2.98308         0.012137     -0.211012     -0.079050
     13.15203      4.09065      0.30558         0.000871     -0.131350      0.160900
     13.01836      5.43900      0.63505         0.001010     -0.016868     -0.030901
     12.95104      5.92189      1.96259         0.079639      0.065935      0.067043
     13.25914      1.67122      1.33637        -0.169932      0.506885      0.538271
     12.68374      2.36867      3.49662         0.078997     -0.044126      0.081467
     13.05906      7.40194      2.22248         0.007459     -0.027985     -0.003103
     13.07292      7.97440      3.51700         0.040868      0.103160     -0.071381
     13.31991      9.34189      3.67036        -0.068430      0.041167     -0.056521
     13.23103      8.30084      1.14156        -0.047532      0.028171     -0.030803
     13.44798      9.67312      1.29383         0.060708      0.045286      0.093185
     13.51998     10.19499      2.58768        -0.120044     -0.152872      0.086576
     13.74142     11.58612      3.10304        -0.011368     -0.851608      0.325445
     13.38163     10.15191      4.92355         0.108390      0.184945     -0.186662
     13.74389     12.62815      5.46582        -0.072352     -0.301557     -0.152672
     13.48009     12.50163      6.83705        -0.009776      0.186997      0.106314
     13.51463     13.61468      7.68248        -0.060605     -0.049111     -0.099321
     14.08729     13.91410      5.03943         0.133058      0.229705     -0.043377
     14.12599     15.02990      5.90392        -0.002189     -0.150478     -0.044211
     13.82197     14.93986      7.30431        -0.056306     -0.247877      0.316774
     13.88352     16.04503      8.37022        -0.101109     -0.186956     -0.131562
     13.26231     16.05964      9.67343         0.004612     -0.138682     -0.145751
     13.34831     17.19472     10.49908        -0.135082     -0.125393      0.018827
     14.59572     17.22631      8.09610         0.018312     -0.067852     -0.081074
     14.58459     18.37808      8.86912         0.131897     -0.090450      0.019845
     13.94012     18.38235     10.09088        -0.041864     -0.037313      0.060928
     12.45245     14.94678     10.30887        -0.069206     -0.177812     -0.024285
     14.69984     16.24847      5.22686         0.176258     -0.102572     -0.167073
      9.78780      3.84957      4.74531         0.069793      0.064910      0.135724
      9.72225      4.77666      3.71074         0.063794      0.026500      0.065142
      9.79446      6.15558      3.97299        -0.064278     -0.175593     -0.027836
      9.96241      4.26431      6.06328         0.058135     -0.044592     -0.228107
     10.03080      5.62872      6.32087         0.023429     -0.075060     -0.081215
      9.94580      6.61533      5.30984         0.018659      0.105337     -0.107655
      9.56186      2.48344      4.21388         0.038821      0.180357     -0.076208
      9.59035      4.00547      2.42507        -0.059642     -0.073668     -0.198854
     10.01876      8.06867      5.69799         0.001024      0.152797     -0.089563
     10.08018      9.12180      4.74962        -0.038398      0.075507      0.039905
     10.19901     10.44328      5.18117         0.047885     -0.075398      0.119453
     10.00416      8.46314      7.06074         0.092543     -0.021309     -0.063202
     10.06843      9.79430      7.49165         0.041706      0.083451     -0.055767
     10.19836     10.79631      6.53173         0.026082     -0.169745     -0.135913
     10.28144     12.28253      6.64693         0.013452     -0.548718     -0.808915
     10.31316     11.68974      4.38245        -0.191441      0.300236     -0.387930
     10.75051     14.14330      4.91252        -0.165617     -0.125101     -0.027041
     11.25579     14.47157      3.64931        -0.016306      0.088652      0.136758
     11.63133     15.78145      3.34433         0.029158     -0.141783      0.098248
     10.60521     15.22595      5.79021         0.077625      0.070432      0.098897
     10.98684     16.55144      5.47890        -0.069781     -0.002095     -0.072369
     11.54396     16.91264      4.18418         0.009697     -0.067627      0.133037
     12.02664     18.29492      3.70747         0.119115      0.001266     -0.195757
     12.61126     18.69352      2.42983        -0.029821      0.141369      0.180865
     12.92018     20.04562      2.16562         0.138848     -0.064518     -0.004090
     11.93146     19.39218      4.58672         0.013767      0.147547     -0.132552
     12.21024     20.73209      4.31790        -0.059082     -0.138490     -0.105771
     12.67210     21.10461      3.05587         0.099632      0.131835     -0.172688
     13.05965     17.81275      1.25846         0.199739     -0.060175     -0.041946
     10.78919     17.46805      6.68383         0.064116      0.100592     -0.140429
     10.46917      7.07778     14.69625         0.047159      0.020061      0.301242
     10.37857      7.50073     16.02280         0.037004     -0.338850      0.160755
     10.40835      8.85822     16.37477         0.007685     -0.182040     -0.183288
     10.48464      8.03172     13.68206         0.032028     -0.208150      0.182271
     10.41459      9.38053     14.03277         0.099155      0.121628     -0.089691
     10.43479      9.86202     15.36574         0.099921      0.074198      0.130740
     10.53207      5.58113     14.65214        -0.130390      0.490644      0.825927
     10.21706      6.25274     16.88916         0.233886      0.186803     -1.874585
     10.51069     11.36418     15.62568         0.066835      0.013539     -0.011272
     10.56206     11.97621     16.91030         0.096728      0.078494     -0.025493
     10.69027     13.37224     17.03243         0.006548      0.062297      0.039274
     10.58430     12.25894     14.52532         0.034576      0.075008     -0.063300
     10.72128     13.64901     14.64260         0.083272      0.032034      0.096957
     10.78670     14.21171     15.92182        -0.104625     -0.165665      0.026198
     10.91482     15.63697     16.38131        -0.024093     -0.588142      0.434427
     10.72509     14.24609     18.26364         0.078429      0.135679     -0.295512
     10.73278     16.78830     18.69194         0.084455     -0.174515     -0.225109
     10.09906     16.74451     19.92816        -0.075175      0.250532      0.107300
      9.92270     17.90487     20.69033         0.041319     -0.029700     -0.141652
     11.23085     18.05375     18.33761         0.130935      0.113866     -0.010444
     11.10613     19.22728     19.12449        -0.139633     -0.195358      0.162291
     10.39195     19.20532     20.40673         0.120817     -0.117511      0.037018
     10.12512     20.33953      0.17979         0.056475      0.135093     -0.232642
      9.47616     20.29486      1.47895        -0.097449      0.116961     -0.150663
      9.26357      0.19571      2.26222        -0.025496     -0.120484     -0.084912
     10.51426      0.40216     21.12690         0.149514     -0.064321     -0.124214
     10.29202      1.55263      0.62790        -0.052921     -0.031076     -0.016183
      9.67503      1.47824      1.88116         0.088914      0.205797     -0.024345
      8.81652     19.09316      2.11680        -0.258501     -0.018267     -0.152283
     11.84799     20.39640     18.46046         0.151537     -0.149355     -0.103387
      7.27618      7.64759     17.40020         0.005561      0.035072     -0.096576
      7.15550      8.58051     16.37014         0.086744     -0.046499     -0.022847
      7.11558      9.95652     16.64515        -0.033400     -0.088779     -0.074870
      7.44368      8.06545     18.71403        -0.035768     -0.017304     -0.043003
      7.45681      9.43542     18.97882         0.049638     -0.119380     -0.105884
      7.27464     10.42491     17.98253        -0.018923      0.081169     -0.111800
      7.02032      6.28327     16.85938         0.082295      0.747383     -0.360566
      7.03391      7.80373     15.07470        -0.187724     -0.028956      0.043290
      7.24235     11.88251     18.39847         0.035688      0.087276     -0.096762
      7.19722     12.97397     17.48827        -0.062755      0.222179      0.052285
      7.19433     14.29765     17.96371         0.054721     -0.093106     -0.030761
      7.30312     12.22954     19.77355         0.030682      0.036566     -0.022636
      7.31329     13.54550     20.24587        -0.021676      0.151689     -0.126774
      7.23043     14.59375     19.32711         0.038680     -0.219155     -0.126532
      7.19080     16.07559     19.51571        -0.002676     -0.329917     -0.433425
      7.23079     15.60360     17.22095        -0.102194      0.070113      0.052014
      7.52974     18.05713     17.91490        -0.114355     -0.103020     -0.089422
      8.28684     18.43094     16.80782         0.146325      0.067561     -0.013528
      8.64270     19.76477     16.58161        -0.002534     -0.237601      0.186066
      7.08695     19.12468     18.71057         0.115610      0.073460      0.044808
      7.43506     20.48473     18.48624         0.042285      0.086298     -0.338543
      8.28714     20.88977     17.35422        -0.183861     -0.223420      0.072541
      8.82955      1.01654     16.91261         0.165776     -0.075778      0.010697
      9.52525      1.37970     15.67563         0.041101     -0.206881     -0.047146
      9.94989      2.70854     15.44953         0.138224     -0.240400      0.282514
      8.70390      2.12040     17.78179         0.023793      0.282295      0.012308
      9.18129      3.42384     17.57316         0.097337      0.090662      0.024022
      9.81099      3.75485     16.36140        -0.122384      0.522816      0.209182
     10.01025      0.49603     14.47464        -0.140187      0.634785      0.257547
      6.73833      0.13440     19.50560         0.226370      0.157834     -0.104523
      6.92750     10.84215      6.15318        -0.007890      0.168260      0.191539
      6.82690     11.28950      7.46944         0.052696     -0.017720      0.072224
      6.87647     12.66043      7.79866         0.039700     -0.274542     -0.064841
      7.12871     11.77755      5.13281        -0.091806     -0.148629      0.143645
      7.19890     13.13352      5.46632        -0.062427     -0.002441      0.056158
      7.06256     13.63927      6.78565        -0.036625      0.117892      0.039871
      6.92316      9.34451      6.13610        -0.041245      0.254325      0.330639
      6.80279     10.06240      8.35414         0.012181     -0.051028     -0.171623
      7.16009     15.14359      7.02967        -0.038279      0.010927     -0.026568
      7.11236     15.77427      8.30414         0.015183      0.135287     -0.008210
      7.24115     17.17324      8.41919         0.006772     -0.005911      0.062771
      7.35588     16.02225      5.92808        -0.040784      0.040827      0.043771
      7.43274     17.41401      6.03861        -0.094654     -0.045321      0.065282
      7.35320     17.99753      7.30126        -0.052465     -0.206873      0.146021
      7.49920     19.42387      7.73235        -0.046697     -0.217033     -0.024123
      7.42229     18.04841      9.63904        -0.042193      0.083996     -0.548953
      7.64329     20.58767     10.00983         0.056251     -0.180897     -0.120827
      7.19862     20.57793     11.32510        -0.026158      0.115750      0.152391
      7.18728      0.48118     12.09509        -0.079468     -0.346294     -0.022086
      8.22588      0.54750      9.61009        -0.021264      0.050030      0.072725
      8.30852      1.69848     10.43428        -0.013734     -0.044269      0.307789
      7.69530      1.74016     11.76805         0.052422     -0.085241     -0.073037
      7.50368      2.87112     12.81044         0.283687      0.413647     -0.434198
      6.88513      2.84052     14.12230        -0.158579      0.044950      0.208910
      6.70033      4.00990     14.90192         0.002362     -0.422517     -0.121311
      7.93307      4.18788     12.48607        -0.041566     -0.299018     -0.035920
      7.77028      5.32638     13.27399        -0.044974      0.141118      0.059576
      7.14349      5.27682     14.52793         0.161272      0.331923     -0.176605
      6.27613      1.64491     14.86659         0.187647      0.255163      0.118713
      9.24809      2.74444      9.85213         0.117398      0.188736      0.220093
      4.25846     11.50061     10.57703        -0.080710      0.246126     -0.155828
      4.00278     12.36921      9.52011        -0.032287      0.042684     -0.080263
      4.06487     13.75742      9.66923         0.093346     -0.106001      0.012649
      4.61045     12.03132     11.81969         0.021080     -0.032035     -0.091061
      4.62541     13.42263     11.98556         0.081248     -0.026947     -0.089805
      4.36842     14.33241     10.92728         0.076630      0.085314     -0.127966
      3.87343     10.11727     10.16792         0.039719      0.373820     -0.066847
      3.52501     11.56075      8.35105         0.097781     -0.125018      0.321600
      4.40527     15.82938     11.14699        -0.034444      0.022744     -0.007362
      4.06853     16.78454     10.14360        -0.071715      0.083133     -0.035091
      4.12302     18.15696     10.43323         0.005032     -0.072174      0.107082
      4.80837     16.34786     12.40581         0.002883     -0.135248     -0.108395
      4.79904     17.70760     12.71144        -0.022316      0.073611     -0.015495
      4.42311     18.60889     11.72002        -0.014939     -0.354559     -0.162494
      4.29481     20.07567     11.76180        -0.043129      0.148827      0.263821
      3.98602     19.37196      9.56083        -0.152553      0.273968     -1.183331
      4.35688      0.63587     10.04132        -0.030956      0.013032     -0.090655
      4.81784      0.99432      8.77572         0.118381      0.277513      0.024307
      5.31480      2.27772      8.54648         0.077997     -0.094977      0.049158
      4.23364      1.72311     10.92263         0.022877     -0.056923      0.002713
      4.74273      3.03187     10.67996        -0.005271     -0.003067     -0.119232
      5.41743      3.37613      9.43660        -0.068918     -0.209267      0.148288
      6.03947      4.72300      8.93470        -0.080706      0.008066     -0.130898
      6.52026      5.02791      7.59634        -0.003840      0.215910      0.027360
      6.83857      6.34590      7.16486        -0.054074     -0.058710      0.019365
      6.02283      5.89313      9.72090         0.156812      0.373339     -0.263478
      6.26042      7.20902      9.27623         0.060698     -0.338695      0.129517
      6.64089      7.50078      7.95898         0.044039      0.143115      0.055344
      6.67429      3.99426      6.48985         0.170169     -0.132327      0.120469
      4.25569      3.87674     11.85546        -0.122281      0.119381     -0.129512
      0.87210     14.14881      0.93867         0.338329      0.141013      0.483280
      1.52684     14.59613      2.08920         0.138417     -0.119138      0.131439
      1.57883     15.97592      2.39357        -0.184506      0.054868     -0.035709
      0.41732     15.04722     21.25112        -0.111024      0.154307      0.005734
      0.53596     16.40925      0.25460        -0.002283     -0.115802      0.149912
      1.03626     16.93757      1.47426        -0.105266      0.168255     -0.041284
      0.81772     12.68106      0.93021        -0.236312     -0.483653     -0.100356
      2.15783     13.34647      2.73465        -0.436229     -0.134913     -0.814724
      0.94811     18.46757      1.65094        -0.001589     -0.119155      0.119287
      1.30986     19.21340      2.80931         0.023677      0.256188     -0.116083
      1.19001     20.62310      2.81158         0.153863     -0.235780      0.174620
      0.44788     19.24896      0.57071        -0.045558      0.110147     -0.078845
      0.26231     20.63463      0.59818         0.076912      0.052757      0.170089
      0.64192      0.07188      1.74502         0.000259     -0.327158      0.046410
      0.57379      1.52168      2.07835         0.026952     -0.252754      0.030523
      1.64858      0.37849      3.83082        -0.212206      0.091312     -0.353116
      1.33957      2.93139      4.05783         0.125826     -0.092534      0.058782
      1.94671      3.00122      5.31097         0.054632      0.057254      0.061006
      2.07688      4.21120      5.97816         0.073866     -0.040935     -0.105244
      0.82182      4.15636      3.60071        -0.162605     -0.022093     -0.165607
      0.91853      5.37109      4.31292         0.019649      0.046033      0.212721
      1.64697      5.48438      5.56140         0.033046      0.080616      0.171482
      2.02503      6.70593      6.44541        -0.036764     -0.065649     -0.019552
      2.49329      6.67084      7.81777        -0.049496      0.418154     -0.401438
      2.91188      7.82207      8.51350        -0.042413     -0.247614     -0.177964
      2.02603      8.03610      5.94945        -0.028450      0.051294      0.181878
      2.48064      9.18143      6.63669         0.100038     -0.150354      0.078331
      2.96911      9.09998      7.96341        -0.021789      0.121261     -0.173482
      2.78130      5.44985      8.63625        -0.324193     -0.136700     -0.028106
      0.11574      6.47420      3.64998        -0.140946     -0.148753      0.459651
      4.64982     14.07812      0.68446        -0.234241      0.013207     -0.236633
      4.06759     14.98262     -0.20624        -0.290269     -0.127626     -0.260237
      4.08725     16.37343      0.02804         0.016960     -0.057998      0.088730
      5.29042     14.56352      1.81827        -0.097934     -0.011057     -0.209234
      5.26994     15.93513      2.06096         0.059939      0.068452      0.099080
      4.65698     16.90554      1.22622         0.082135      0.152226      0.006475
      4.45423     12.67722      0.19795        -0.118966      0.144477     -0.243365
      3.45086     14.14675     19.92354         0.401895     -0.310972      0.703424
      4.70373     18.38369      1.67576         0.012543      0.216064      0.063300
      4.16799     19.52820      1.00358         0.009227      0.012190      0.058655
      4.33743     20.83692      1.52676        -0.134736      0.178296     -0.110436
      5.36376     18.69644      2.89682         0.022022     -0.011892      0.130776
      5.55929     19.98442      3.40823        -0.184630      0.121447     -0.074354
      5.04809     21.07442      2.70188        -0.189901     -0.033402     -0.220163
      5.13394      1.29514      2.95783        -0.082941     -0.115398     -0.200873
      3.85565      0.93880      1.02463         0.104739      0.088338      0.165789
      4.05445      3.42836      1.90503        -0.114558     -0.095669     -0.034772
      3.14921      4.01762      0.99772        -0.205469     -0.011812     -0.263964
      2.91573      5.40779      0.93630        -0.157861     -0.053883     -0.139007
      4.59976      4.38004      2.79861        -0.084715     -0.104767     -0.096934
      4.26181      5.76672      2.78069         0.221451      0.044030      0.154177
      3.44317      6.41506      1.78705         0.011721     -0.282770     -0.189319
      3.07211      7.93464      1.64568        -0.128995     -0.046032      0.019553
      1.91003      8.51038      0.98184         0.242586     -0.074334      0.100230
      1.58510      9.86933      1.09877        -0.241071     -0.079149      0.119653
      3.80094      8.95811      2.30977         0.139884     -0.000639      0.411022
      3.38099     10.28752      2.55289         0.110315      0.190307     -0.052855
      2.24430     10.81098      1.91361        -0.249206     -0.125892     -0.104450
      0.90122      7.77869      0.09748         0.131522     -0.338028      0.314343
      4.90881      6.49589      3.93349         0.018330     -0.138416     -0.000423
     18.04090     17.34165     13.73347         0.027249      0.017747      0.002347
     19.05089     17.81332     14.56986        -0.069997     -0.037072     -0.048974
     19.30734     19.18168     14.72192        -0.087298     -0.152501      0.015217
     17.32676     18.24623     12.94430         0.036532     -0.114489      0.023695
     17.63139     19.60642     13.04577         0.064587      0.008231     -0.024061
     18.56968     20.13018     13.96768         0.013036      0.078556      0.236207
     17.98597     15.84354     13.82746         0.462014      0.549749      0.303344
     19.73706     16.62483     15.16843         0.006947     -0.174726      0.198178
     18.69310      0.36286     14.18011        -0.004625      0.072940      0.058307
     19.61968      0.94677     15.08479        -0.032058      0.129994      0.049249
     19.60184      2.32696     15.32919        -0.155225     -0.042083     -0.088632
     17.80152      1.25738     13.53312         0.030834      0.034119      0.003198
     17.80082      2.64168     13.75290         0.063852      0.007019      0.056474
     18.71237      3.17617     14.66608         0.009453     -0.310741     -0.058149
     18.93687      4.58299     15.11189         0.265860     -0.699111      0.203255
     20.39249      3.16188     16.29156         0.111478      0.178790      0.149746
     20.59257      5.68081     16.72721         0.344203     -0.261014      0.017498
      0.65423      5.66599     17.18883        -0.127470     -0.003067     -0.091026
      1.25027      6.82158     17.68649        -0.296635      0.212312     -0.161984
     19.92546      6.88370     16.95652        -0.457556      0.201528     -0.177111
     20.52248      8.04594     17.50693         0.208693      0.173090      0.103659
      0.67741      8.10550     17.85489         0.025977     -0.476392      0.061211
      1.57071      9.25605     18.44340        -0.348427     -0.170029     -0.188041
      2.92648      9.21189     18.96546         0.239612      0.187612      0.001491
      3.56594     10.37034     19.49748        -0.124736     -0.081043     -0.089245
      1.03553     10.55687     18.54215         0.123546      0.314726      0.355726
      1.65620     11.67601     19.12145        -0.239404      0.214673     -0.237800
      2.95551     11.61867     19.63112        -0.000494      0.150196      0.113594
      4.01530      8.13299     18.91008         0.354912     -0.142280      0.038655
     19.48633      9.11857     17.80655        -0.360317      0.076069     -0.069227
      1.89646     18.23833     14.11649        -0.020568      0.126808      0.226122
      1.18145     19.16171     13.35392         0.052655     -0.083120      0.043391
      1.25233     20.53641     13.61349        -0.007921     -0.241999      0.023203
      2.74607     18.68506     15.13097         0.006008     -0.060834      0.026504
      2.80996     20.05747     15.39734        -0.180576     -0.038854      0.117633
      2.04555     21.02137     14.69220        -0.016109      0.151707     -0.140260
      1.57755     16.85601     13.66373        -0.095952      0.636362     -0.285188
      0.42251     18.38407     12.30871         0.261017     -0.181276      0.592916
      2.17419      1.23044     15.02212         0.054537      0.243568     -0.140384
      1.64076      2.24915     14.19409        -0.165242      0.200964     -0.129427
      1.89100      3.60141     14.45593         0.272276     -0.190541      0.261981
      2.91393      1.68884     16.14465        -0.097297     -0.111076     -0.088092
      3.27321      3.02673     16.34370        -0.078090      0.255765     -0.111053
      2.78733      3.99362     15.45377        -0.024932     -0.292329     -0.035133
      3.05491      5.45853     15.28820        -0.715831     -0.406898     -0.299999
      1.37132      4.82577     13.79933        -1.062195      0.288061     -0.971148
      1.56097      7.31807     14.30803         0.119882     -0.146155     -0.020701
      0.25708      7.60934     13.89966         0.133429      0.078364      0.236332
     21.00023      8.89047     14.05756        -0.018658      0.050239      0.070974
      2.31471      8.43166     14.72413         0.047354     -0.054465      0.066146
      1.79628      9.74216     14.86388        -0.090510     -0.202666     -0.116471
      0.40533     10.04584     14.52922        -0.021316     -0.089674     -0.060005
     20.87969     11.37425     14.57206        -0.014483      0.074254     -0.005812
     19.49313     11.65308     14.18567         0.205082      0.236307      0.215150
     18.95512     12.96129     14.28198        -0.060420     -0.057793      0.016956
      0.27589     12.54978     15.00102        -0.003726      0.044110      0.065072
     -0.25784     13.83893     15.09130        -0.072119     -0.103102     -0.157001
     19.68611     14.09728     14.69059        -0.313405      0.060607      0.011855
     18.43410     10.66086     13.69992        -0.110098     -0.080138      0.057381
      2.91169     10.69364     15.29874        -0.254277      0.157395     -0.110934
     16.21996      0.41221      5.23512         0.113054      0.064429      0.043822
     16.89996      0.81736      6.38133         0.008447      0.028229      0.075238
     16.89684      2.16561      6.79565        -0.040293     -0.244799     -0.103053
     15.51761      1.33889      4.48219         0.133569     -0.082735      0.105822
     15.54762      2.67617      4.86903         0.057842     -0.027805      0.005262
     16.22743      3.15151      6.01267        -0.017533      0.010161      0.107596
     16.49835     20.23987      4.94257         0.267757      0.269087      0.398518
     17.61792     20.85755      6.91621        -0.198145     -0.019567     -0.382169
     16.21859      4.64549      6.28677        -0.015650     -0.015343      0.036091
     16.90369      5.28395      7.35133        -0.078800      0.224038      0.018478
     16.85603      6.68398      7.48982        -0.046064     -0.024666      0.010331
     15.50518      5.51257      5.41631         0.068789      0.062511      0.025390
     15.52399      6.90505      5.51044         0.084033      0.059251      0.045057
     16.21979      7.50173      6.55649         0.120255     -0.172851      0.127117
     16.49580      8.93696      6.87139         0.057391     -0.196013      0.143204
     17.44067      7.57776      8.54724        -0.366431      0.151030     -0.413185
     17.72522     10.11206      8.78865        -0.176454     -0.094402     -0.120597
     18.76495     10.01870      9.70158         0.050210      0.128876      0.131591
     19.32556     11.15489     10.27250         0.020696     -0.186074     -0.042176
     17.24769     11.41789      8.57625         0.047207      0.131385      0.030998
     17.82626     12.56986      9.16885         0.026353     -0.129395      0.152748
     18.95576     12.48227     10.06929         0.025102      0.139179      0.038416
     19.76803     13.57702     10.78858        -0.267033      0.140983     -0.186485
     21.06707     13.47912     11.41152        -0.034724      0.185409      0.122435
      0.43610     14.61687     11.96452         0.184835     -0.088175      0.063177
     19.24231     14.88834     10.88322        -0.195100     -0.138452      0.001751
     19.88621     16.01286     11.39796         0.039551      0.059839      0.062729
     21.15474     15.89965     11.97931         0.037194      0.092046     -0.009918
      0.79912     12.32075     11.46003         0.068549      0.052617     -0.154561
     17.05437     13.82384      8.83176        -0.030226      0.095477     -0.057643
     20.32460      1.39952      6.16444         0.062069      0.222442      0.142625
     19.74353      2.44402      5.43787        -0.124992      0.099628     -0.038505
     19.71768      3.75031      5.90589        -0.011639     -0.225026      0.101340
     20.86467      1.65961      7.42204        -0.084377     -0.049433      0.039567
     20.74725      2.95255      7.94727        -0.033045      0.141944      0.003266
     20.19765      4.03687      7.21099        -0.080482      0.157440     -0.081416
     20.23283      0.14890      5.35907        -0.093196      0.297470     -0.032425
     19.18856      1.88667      4.15871         0.191708     -0.172670      0.261307
     20.22740      5.45704      7.70236         0.025321      0.175881      0.098156
     19.82085      6.50899      6.85017         0.051985      0.066194     -0.005131
     20.13696      7.83546      7.15161        -0.092075     -0.268341     -0.012410
     -0.52581      5.84887      8.97280        -0.100983     -0.121227     -0.166582
     -0.17324      7.17221      9.25869        -0.022536      0.104112      0.037937
     20.84633      8.16275      8.29843        -0.291879     -0.307577     -0.115654
     -0.10459      9.60157      8.23113         0.877199      0.988529      0.967056
     19.86057      9.08490      6.39155        -0.632685      0.188649     -0.977539
     20.37096     11.55560      6.73637         0.026196      0.168713     -0.020949
     19.46920     11.98966      5.75354        -0.062137      0.090807      0.109461
     19.21365     13.34655      5.56517         0.050783     -0.121109      0.093874
     21.09194     12.59675      7.36504         0.107105     -0.041117      0.090681
     20.87790     13.97328      7.12491        -0.021730     -0.044236     -0.183726
     19.84870     14.42719      6.20736         0.067027      0.081453     -0.011639
     19.35269     15.84728      5.93370         0.076736     -0.057487      0.025269
     18.56260     16.32786      4.82069         0.108840      0.030093      0.059158
     18.03697     17.63646      4.80233         0.048479     -0.037012      0.033431
     19.56900     16.85092      6.90484        -0.059214     -0.023428      0.000028
     18.98357     18.11313      6.92773         0.000199     -0.207131     -0.008614
     18.14612     18.52894      5.88898        -0.075508      0.260401      0.025402
     18.08480     15.49366      3.63565         0.084666     -0.088283     -0.067432
      0.63824     14.86769      7.82567        -0.022423      0.161780     -0.072555
     12.74629      5.20385      4.03091        -0.105750      0.163864      0.197443
     13.26291      3.79724     20.52307         0.019168     -0.116552     -0.084488
     12.95963      6.14071     21.06907         0.134743      0.058325     -0.127967
     12.91454      7.37593      4.40728        -0.109319     -0.149322      0.149255
     13.19198      7.92022      0.12308         0.055171      0.051288     -0.034649
     13.56622     10.28659      0.40088         0.031781      0.169254      0.072035
     13.33128     13.37863      8.72130         0.046886      0.050273     -0.003761
     13.26578     11.54443      7.29207        -0.054053     -0.211864     -0.052617
     14.36998     14.06448      4.00069        -0.100919     -0.002771      0.076034
     12.90131     17.13525     11.48846        -0.076240      0.108339     -0.031581
     15.17581     17.30960      7.20236         0.138046     -0.092992     -0.089252
     15.09681     19.25279      8.47493         0.082691      0.175484      0.086832
      9.70900      6.84192      3.13634        -0.004215      0.198412     -0.106290
      9.99569      3.55095      6.87956         0.059148     -0.083174     -0.011416
     10.09995      5.92413      7.36210         0.165610      0.044781      0.126050
      9.99865      8.93539      3.68356         0.111673     -0.099607     -0.195442
      9.91056      7.70639      7.83545        -0.006561     -0.039496      0.057796
      9.99340     10.02017      8.55823         0.092471      0.060115     -0.055682
     12.06416     15.85236      2.36441         0.052206      0.205624     -0.083679
     11.39892     13.72232      2.88269         0.034751     -0.159713     -0.092791
     10.21232     15.02968      6.78245         0.066639     -0.023692     -0.035718
     13.41272     20.28826      1.22731        -0.193227     -0.061437      0.020078
     11.59172     19.26268      5.59283        -0.017673     -0.130776      0.045401
     12.02354      0.18633      5.10947         0.012525      0.204764      0.034309
     10.37810      9.09483     17.42804        -0.004578      0.255565      0.392418
     10.52944      7.73893     12.63651        -0.017860     -0.037516     -0.147678
     10.34807     10.07795     13.20293         0.074114      0.100898     -0.040347
     10.51641     11.38290     17.81809        -0.037639     -0.149450      0.183380
     10.55648     11.86824     13.50799        -0.002226      0.033229      0.045820
     10.79120     14.25113     13.73353        -0.005383      0.077849      0.104213
      9.37616     17.70348      0.33528        -0.058748      0.154939     -0.074664
      9.71123     15.83031     20.35431        -0.007277     -0.272670     -0.049004
     11.75377     18.14404     17.39284        -0.011430     -0.018689     -0.039658
      8.74906      0.10670      3.21319         0.083290     -0.114155     -0.007319
     11.06707      0.58298     20.21714        -0.100033      0.001638      0.004582
     10.61242      2.49883      0.20655         0.028701      0.180922      0.035499
      6.89761     10.63231     15.82088         0.113132      0.187791     -0.059067
      7.48242      7.35021     19.53483         0.113183     -0.060762     -0.022263
      7.54351      9.72269     20.02130         0.119631      0.043972      0.097183
      7.17208     12.81260     16.41471         0.016874     -0.072817     -0.203773
      7.32642     11.45195     20.53409         0.044812      0.004368     -0.009330
      7.38982     13.72975      0.05850        -0.012353      0.046469     -0.026862
      9.28291     19.86484     15.72442         0.159572      0.194067     -0.022209
      8.65642     17.68870     16.11140         0.091882     -0.097389     -0.124292
      6.45077     18.89485     19.55873         0.079113      0.005999      0.029896
     10.44134      2.97482     14.53069         0.112803     -0.206531     -0.397343
      8.16677      2.02263     18.71547         0.066191     -0.226735      0.084026
      9.03864      4.15712     18.37171        -0.034211     -0.108139     -0.223320
      6.78567     12.94342      8.83996         0.061724      0.098718      0.266313
      7.28407     11.47900      4.09613        -0.085622     -0.122398     -0.036047
      7.41285     13.82001      4.65017        -0.064769      0.007561     -0.051335
      6.98493     15.19717      9.21354         0.073908     -0.195217      0.196643
      7.50932     15.61903      4.92867        -0.098532     -0.036400     -0.012988
      7.64331     18.01434      5.15506        -0.087501      0.048764     -0.000664
      6.75037      0.32194     13.05872        -0.166698      0.041958      0.006990
      6.83780     19.67920     11.80244        -0.051947     -0.277958     -0.027470
      8.65819      0.59979      8.62023         0.067317      0.057712     -0.150610
      6.20121      3.89997     15.85593         0.050197      0.070904      0.008764
      8.46073      4.36099     11.55405        -0.115152     -0.052699      0.045672
      8.16126      6.25541     12.88298         0.031601      0.302360     -0.050166
      3.79468     14.37490      8.82480         0.114094      0.184978     -0.245506
      4.79647     11.39462     12.68192         0.036507     -0.087181     -0.132499
      4.77772     13.79806     12.99845         0.122962     -0.029383     -0.054845
      3.74053     16.48375      9.14898         0.086580     -0.094305     -0.080639
      5.13895     15.66845     13.18925         0.006603     -0.012743      0.010027
      5.09907     18.05037     13.70291         0.004187      0.004612     -0.044437
      5.63955      2.36709      7.53472         0.119297      0.013716      0.031407
      4.80790      0.31536      7.93322         0.086529     -0.291120     -0.054756
      3.69111      1.55837     11.85019         0.234185     -0.029958      0.000554
      7.22980      6.44169      6.15588        -0.171153      0.126221      0.031316
      5.71976      5.86758     10.74995         0.041362     -0.222653      0.115638
      6.12058      7.98944     10.01266         0.013961      0.175608      0.061448
      2.01810     16.29796      3.33664         0.100212      0.046316      0.072970
      0.00787     14.71561     20.30279        -0.175310     -0.115384     -0.118371
      0.20479     17.06010     20.71197        -0.081137      0.092708      0.025838
      1.68739     18.73779      3.70829         0.131606     -0.182025      0.159119
      0.18092     18.77791     20.88972        -0.057995     -0.077948     -0.037475
     -0.14259     -0.10352     20.98865        -0.003028      0.012238     -0.005587
      2.59087      4.08794      6.90480         0.023734      0.019676     -0.086309
      2.33067      2.13311      5.82573         0.093256     -0.291206     -0.094364
      0.25343      4.15198      2.67438         0.053320      0.044441      0.030462
      3.20103      7.72281      9.54825         0.109112     -0.068423      0.091738
      1.67872      8.22590      4.93659         0.043812     -0.058091     -0.018911
      2.43547     10.12953      6.11463         0.062983      0.170446     -0.050598
      3.67104     17.02503     20.52814        -0.223276      0.237681     -0.141059
      5.79084     13.89887      2.51593         0.016808     -0.150521      0.113732
      5.79052     16.23884      2.96166        -0.023999      0.120559      0.120743
      3.62011     19.41475      0.07301        -0.094406     -0.014518     -0.208775
      5.81589     17.90393      3.49168        -0.112979      0.025253     -0.031899
      6.11996     20.11093      4.33413        -0.039402      0.104547      0.055447
      2.21437      5.69318      0.16445         0.069993     -0.076190     -0.066309
      2.55140      3.40843      0.31925         0.208929     -0.041467     -0.059259
      5.28191      4.02273      3.56742        -0.076582      0.108385      0.037339
      0.71514     10.21079      0.55583        -0.050306     -0.026703      0.011989
      4.76206      8.73184      2.78050        -0.250574     -0.037853     -0.284287
      3.98176     10.89232      3.23725         0.014905      0.015610     -0.219793
     20.07875     19.48860     15.41960         0.128282      0.092340      0.177492
     16.57036     17.92118     12.22858        -0.020758     -0.113434      0.021292
     17.13484     20.27984     12.35047        -0.151720      0.025399      0.040126
     20.36273      0.34049     15.59110         0.083313     -0.150572      0.206817
     17.06578      0.86138     12.83279        -0.024516      0.056662      0.039897
     17.08220      3.27894     13.23198         0.064385      0.010926      0.021026
      2.24618      6.65721     18.02013         0.320885      0.085434     -0.148077
      1.25386      4.76035     17.15189        -0.110430     -0.020088      0.106983
     18.86865      6.92715     16.69152         0.154921      0.115950      0.042656
      4.59608     10.28012     19.82165        -0.000203     -0.057395      0.090332
      0.03921     10.77014     18.18811        -0.102115     -0.142044     -0.104012
      1.07253     12.59849     19.13840         0.139723     -0.049348      0.021606
      0.69168     21.19504     12.95848        -0.130578      0.265197     -0.015101
      3.38059     17.99286     15.69899        -0.238428      0.040575     -0.078487
      3.48771     20.37941     16.18946        -0.011171      0.029875     -0.064146
      1.05632      2.02580     13.30692        -0.197470     -0.161812     -0.110596
      3.27761      0.97105     16.87538         0.057368     -0.059939      0.072842
      3.91377      3.29031     17.18968        -0.032034      0.027483     -0.092858
     19.96143      8.93307     13.78811        -0.005995      0.119667      0.066112
     20.86271      6.85113     13.49436        -0.138934     -0.237252     -0.003109
      3.36727      8.28189     14.95134        -0.141842     -0.091743      0.082118
     17.90649     13.10101     14.02222         0.172438     -0.012248     -0.082919
      1.32058     12.51908     15.27355        -0.062575     -0.126259      0.001044
      0.41241     14.61830     15.42329         0.034078      0.232738      0.083681
     17.46044      2.43450      7.68293         0.071670      0.101558      0.221565
     14.97571      1.02869      3.59719         0.104827     -0.042596     -0.139813
     15.03442      3.37748      4.22052         0.011735      0.034548     -0.018166
     17.53935      4.72732      8.03022        -0.067533     -0.209456      0.285710
     14.91799      5.10579      4.60016         0.030486     -0.070896     -0.074724
     14.99435      7.50423      4.77253         0.133341      0.012015      0.018266
     20.14398     10.92921     10.91902         0.013507      0.071370      0.137075
     19.19996      9.07446      9.98499        -0.110544     -0.291152      0.082376
     16.39709     11.55607      7.92033        -0.006950      0.037078     -0.104271
      1.41675     14.49777     12.41229        -0.098596     -0.033445     -0.036930
     18.22759     15.07514     10.54894         0.112297     -0.068942      0.060841
     19.36225     16.95788     11.32536         0.013760      0.215707      0.075868
     19.34378      4.51429      5.22933        -0.146982      0.097781      0.069245
      0.12444      0.87680      7.97980        -0.136898     -0.004670      0.054599
     -0.10644      3.13347      8.94298        -0.040340     -0.002576     -0.027210
     19.31109      6.29767      5.91928        -0.083498      0.016518     -0.031550
     -0.35147      5.09968      9.74818         0.010114      0.088304     -0.076809
      0.29861      7.39304     10.21697        -0.029290      0.124089      0.013148
     18.39961     13.53101      4.88872        -0.073058      0.067210     -0.087289
     18.91379     11.29923      5.13577        -0.130247     -0.251858      0.049300
      0.62403     12.31616      8.05149        -0.084958      0.040241      0.020292
     17.43445     17.91926      3.94616        -0.015395      0.028009      0.023117
     20.18839     16.64291      7.76261        -0.068988     -0.112497      0.038052
     19.18645     18.73931      7.78365        -0.009664      0.233783      0.135965
     13.87282     19.27591     10.70744         0.070828      0.054731      0.138869
     19.31925     21.12929      3.44112        -0.011757      0.124261      0.127671
     12.88615      1.22188      2.66042        -0.120342     -0.108541     -0.014846
     13.64862     11.51572      4.53505        -0.087427     -0.075722      0.520672
      9.56672      2.60140      2.77946         0.015652      0.059889     -0.178550
     10.45101     12.78427      5.30199         0.092078      0.048936     -0.195344
     10.19508      5.11840     15.98507        -0.052091     -0.096842      0.229980
     10.82383     15.62350     17.81833        -0.074449     -0.180160      0.157537
      7.05986      6.40700     15.42410         0.054795     -0.289388      0.047321
      7.26459     16.65805     18.20954         0.056707      0.135255     -0.171402
      6.78070      8.89169      7.49430        -0.102571     -0.127570      0.110077
      7.51672     19.41689      9.15992         0.183770      0.154957      0.301959
      3.47330     10.18667      8.77293        -0.053062     -0.023178     -0.209829
      4.09962     20.52951     10.42532         0.023395      0.074196     -0.023779
      1.74823     12.19255      1.91455         0.115717      0.077346     -0.090392
      1.19753      1.68610      3.35280         0.093014     -0.092186      0.084926
      3.60073     12.74590     20.30734        -0.132109      0.241813     -0.108633
      4.31558      1.96640      1.97811        -0.038269      0.082006     -0.271992
     19.12480     15.44053     14.61372         0.354002     -0.101431      0.149957
     19.99960      4.53526     16.06938         0.071026      0.134724      0.307616
      0.60638     16.98250     12.62068        -0.321556      0.209367     -0.304071
      2.03963      5.95721     14.38449        -0.229043     -0.076782     -0.172761
     17.45110     19.79944      5.92606         0.038718     -0.079051     -0.111563
     17.22149      8.94247      8.10586        -0.037364      0.072137      0.238491
     19.52693      0.52380      4.19883         0.034589     -0.161653     -0.076323
     20.52013     10.16324      7.07602        -0.169402     -0.188953     -0.207426
     12.41429      2.34651      4.69050         0.068975     -0.012987     -0.092221
     13.69374      0.98868      0.43721         0.153165     -0.424690     -0.472748
     13.20975      9.74294      6.05803         0.040165     -0.065969      0.173946
     13.96878     12.57290      2.44461         0.116651      0.799820     -0.456482
      9.51604      4.43828      1.28425         0.064687     -0.069382      0.154589
      9.37572      1.46455      4.84717         0.107421     -0.295207      0.092128
     10.23899     11.79848      3.16103         0.107016     -0.063468      0.243294
     10.16382     12.94833      7.64695        -0.009323      0.544042      0.690050
     10.11639      6.18753     18.08372        -0.050598     -0.039525      1.492592
     10.87491      4.90132     13.71082         0.069466     -0.466293     -0.484401
     10.68389     13.89027     19.42483        -0.023482     -0.112587      0.299928
     11.07421     16.62331     15.69728         0.017266      0.607800     -0.420091
      6.90243      8.22602     13.93837         0.129201      0.084732      0.005376
      6.74426      5.28936     17.49391         0.091664     -0.600294      0.277489
      7.23148     15.78045     16.01397        -0.021408     -0.017912     -0.089272
      7.08596     16.67946     20.56397        -0.015424      0.348088      0.338011
      6.86354     10.03239      9.57151         0.001249      0.070532      0.090972
      7.07622      8.63895      5.15984         0.021757     -0.202356     -0.088856
      7.53475     17.70398     10.79714        -0.010230     -0.113709      0.319868
      7.58589     20.40944      7.02096        -0.058863      0.134577     -0.026413
      3.20857     11.95703      7.24654        -0.026679      0.121631     -0.390677
      3.84241      9.14147     10.89367        -0.003037     -0.335144      0.006343
      3.85792     19.42508      8.33375         0.071255     -0.095611      1.145042
      4.31964     20.78253     12.75915        -0.031189     -0.179216     -0.270313
      2.90410     13.26331      3.67864         0.340306      0.043231      0.554960
      0.05559     12.01939      0.23244         0.184674      0.214843      0.124085
      2.31194      0.18999      4.82917         0.094804     -0.092460      0.169980
      0.05466      2.39863      1.41409        -0.051314      0.269317     -0.221764
      2.96715     14.49919     18.87264        -0.331961      0.388005     -0.366074
      4.95195     11.66125      0.65794         0.057426     -0.105211      0.017516
      3.19601      1.17367      0.02956        -0.004332     -0.017215     -0.038364
      5.81776      1.83422      3.80600         0.097727      0.221611      0.183371
     -0.61835     16.63344     15.99186         0.025610     -0.019232     -0.069480
     17.13568     15.11273     13.37580        -0.475517     -0.512783     -0.345549
     -0.07281      2.79376     17.14444        -0.134161     -0.026943     -0.162185
     18.33722      5.56953     14.74869        -0.271532      0.749865     -0.185533
     21.05650     18.80692     11.36087        -0.386970      0.198300     -0.394573
      2.06283     15.82060     14.06885         0.230552     -0.611995      0.298860
      0.48965      4.88348     12.92648         0.834917     -0.005853      0.930484
      3.96766      6.10889     15.73889         0.466897      0.512359      0.435939
     18.21556     20.74001      7.96699         0.152975      0.051041      0.298111
     16.03451     19.57208      4.03898        -0.067848     -0.195349     -0.330439
     17.94995      7.24782      9.59723         0.114441     -0.149076      0.393840
     16.21926      9.91894      6.20546        -0.096764      0.112784     -0.002871
     18.55642      2.42292      3.26637        -0.085830      0.244116     -0.101409
     20.65134     20.28555      5.59278         0.111396     -0.133972      0.033171
     19.17143      9.19698      5.37400         0.480391     -0.050351      0.840300
      0.59997     10.23126      9.02427        -0.649088     -0.562410     -0.768073
     14.02653     17.41472      5.40911        -0.003883      0.055637      0.158903
     15.97859     16.45113      5.71111        -0.146273     -0.031406     -0.059068
     14.83723     16.12592      3.87980        -0.115401     -0.053204      0.132210
     11.87086     15.32917     11.48543        -0.144943      0.002594      0.142467
     11.42473     14.49601      9.52978         0.150033      0.068934     -0.021999
     13.21273     13.84328     10.65186        -0.002424      0.048418      0.012807
     11.96909     17.94932      7.18361        -0.106952      0.099170     -0.061112
      9.99444     18.57023      6.43492         0.032636     -0.154970      0.019388
     10.19214     16.84150      7.73141        -0.059197     -0.044832      0.213935
     13.34498     18.53500      0.12971         0.052556     -0.002992      0.119813
     14.20264     17.11601      1.54083        -0.141971      0.003288      0.074573
     12.13643     16.89195      0.83597        -0.008224      0.079612     -0.096971
     11.10871      0.28501     18.31750         0.058778     -0.082504      0.048125
     12.99122     -0.51697     19.12956        -0.179743     -0.013260      0.153802
     12.24674     20.10191     17.18191         0.058929      0.035175      0.172080
      8.41476     19.32458      3.40639        -0.074954     -0.014928     -0.087423
      7.68421     18.74610      1.40307         0.309505     -0.033352      0.165159
      9.56990     17.96048      2.22065         0.105561     -0.076766      0.046165
      7.58606      0.86838     20.30886        -0.013014     -0.090390     -0.261714
      5.88122      1.03021     18.92231         0.134324     -0.005280     -0.087818
      5.98342     20.68419     20.39561        -0.121721      0.081198     -0.047021
     10.21287      1.27028     13.35696         0.307666     -0.104076      0.159288
     11.20362     -0.08400     14.78655         0.252423     -0.048670      0.016084
      9.21752     20.75514     14.01222        -0.253833     -0.228841      0.054426
      8.68699      3.97612      9.56201         0.038078     -0.243762      0.117603
     10.29010      2.99964     10.70897        -0.123947      0.012472      0.014010
      9.82107      2.35387      8.67710         0.106875     -0.110190      0.048358
      6.06429      1.90779     16.20034        -0.063183     -0.033568     -0.132813
      5.07751      1.25311     14.37795         0.056909     -0.013000     -0.001548
      7.06649      0.53473     14.87568        -0.116514     -0.265342      0.077537
      4.79133      5.10194     12.11357        -0.081241     -0.078928     -0.092074
      2.89722      4.07241     11.73005        -0.038744      0.021616     -0.099510
      4.39091      3.20662     13.03066         0.076203     -0.022699      0.132522
      7.23744      4.45659      5.34577         0.137396      0.276474      0.006259
      7.47810      2.95178      6.89097        -0.074413      0.006783     -0.083378
      5.48099      3.46145      6.06713        -0.055310      0.030283      0.052933
     -0.60290      7.25092      4.51530         0.262302     -0.125192     -0.143699
      0.91350      7.35149      2.99434         0.038130      0.142710      0.084223
     -0.81056      5.98320      2.78045        -0.010732      0.070212      0.086913
      3.20430      5.72966      9.88424        -0.080098      0.217468      0.306715
      1.75866      4.54541      8.81677         0.129566      0.026966     -0.154862
      3.79374      4.75998      8.04417        -0.023451     -0.106292     -0.147963
      6.14827      6.94962      3.56718         0.003083     -0.135612     -0.127777
      4.20899      7.55221      4.42355        -0.094191      0.148237      0.001307
      5.06767      5.70104      5.02865        -0.095373      0.032999     -0.242172
     -0.05201      8.59274     20.84588         0.072667      0.070254     -0.153234
      1.54828      7.18409     -0.96492        -0.176510     -0.016420      0.242862
      0.19257      6.77410      0.68816         0.258958     -0.103875     -0.122154
     19.43833      9.41192     19.13411         0.030834      0.134440      0.120359
     19.67649     10.31356     17.14804         0.045486     -0.104735     -0.059778
     18.20862      8.74159     17.46852         0.187220      0.055047      0.074796
      4.87097      8.21033     19.99872        -0.272192      0.137249     -0.190326
      3.72948      6.80634     18.87106         0.057851     -0.055136      0.176898
      4.77943      8.36897     17.78826        -0.455144     -0.009865      0.194729
      3.29647     11.50141     14.26048        -0.029120      0.166121      0.019630
      2.61671     11.53423     16.33552        -0.040266     -0.085044      0.091623
      4.04484     10.05280     15.69849         0.121571     -0.036832     -0.024860
     17.29418     11.26711     13.25634        -0.009701      0.051332      0.119554
     18.82365      9.87910     12.63621        -0.120348      0.105765      0.078108
     18.03766      9.79913     14.68939         0.089301      0.004424      0.001303
     16.21495     14.17334      9.87456         0.176547      0.053213     -0.192101
     17.80319     14.93412      8.53640         0.039104     -0.135511      0.044143
     16.27047     13.65364      7.73492         0.052703      0.003251      0.001690
      1.79820     12.53531     12.35806         0.211127      0.203299      0.107166
      0.38019     11.07113     11.79919        -0.130421     -0.199092      0.110703
      1.39615     12.21521     10.24347         0.041306      0.077317     -0.006699
      1.29336     15.69938      6.95305        -0.182973      0.006706     -0.113663
      0.13911     15.68343      8.82318        -0.058418     -0.107428     -0.096222
      1.60288     14.16173      8.46578         0.071626     -0.097343     -0.212360
     17.54354     16.23081      2.62947         0.156304      0.162543     -0.020289
     19.07400     14.74348      3.05353         0.107780      0.065155      0.044657
     17.08255     14.60717      3.99432         0.187266      0.040706     -0.127762
 -----------------------------------------------------------------------------------
    total drift:                               -0.005200      0.016352      0.021337


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4572.7755838180 eV

  energy  without entropy=    -4572.9252267119  energy(sigma->0) =    -4572.82546478
 
 d Force = 0.6043793E-01[ 0.794E-03, 0.120E+00]  d Energy = 0.6040484E-01 0.331E-04
 d Force = 0.3499874E+03[ 0.350E+03, 0.350E+03]  d Ewald  = 0.3499875E+03-0.873E-04


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   66(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.3880461E+00  (-0.4781752E+02)
 number of electron    2498.0000006 magnetization 
 augmentation part      162.6578052 magnetization 

  free energy =  -0.457238753422E+04  energy without entropy=  -0.457253763560E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   66(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3528
 total energy-change (2. order) :-0.1014473E+01  (-0.1233885E+01)
 number of electron    2498.0000007 magnetization 
 augmentation part      162.7231161 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8605
  0.8605

  free energy =  -0.457340200757E+04  energy without entropy=  -0.457355180687E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   66(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3712
 total energy-change (2. order) : 0.3737189E-01  (-0.2539855E-01)
 number of electron    2498.0000007 magnetization 
 augmentation part      162.6748749 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4219
  1.0796  1.7642

  free energy =  -0.457336463569E+04  energy without entropy=  -0.457351518328E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   66(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) :-0.4878163E-02  (-0.2227802E-01)
 number of electron    2498.0000007 magnetization 
 augmentation part      162.6310565 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2800
  2.1931  0.8235  0.8235

  free energy =  -0.457336951385E+04  energy without entropy=  -0.457351931336E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   66(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3656
 total energy-change (2. order) :-0.6976569E-03  (-0.4414320E-02)
 number of electron    2498.0000007 magnetization 
 augmentation part      162.6434883 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3192
  2.3787  0.9993  0.9993  0.8997

  free energy =  -0.457337021151E+04  energy without entropy=  -0.457352083971E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   66(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) : 0.1946018E-02  (-0.2472491E-02)
 number of electron    2498.0000007 magnetization 
 augmentation part      162.6488806 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2498
  2.3846  1.0306  1.0306  0.9016  0.9016

  free energy =  -0.457336826549E+04  energy without entropy=  -0.457351830642E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   66(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) :-0.9368383E-04  (-0.4463215E-03)
 number of electron    2498.0000007 magnetization 
 augmentation part      162.6513550 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2303
  2.3782  0.9708  0.9708  1.2981  1.1235  0.6404

  free energy =  -0.457336835917E+04  energy without entropy=  -0.457351918141E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   66(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) : 0.1257236E-03  (-0.6680422E-04)
 number of electron    2498.0000007 magnetization 
 augmentation part      162.6548602 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2222
  2.4529  1.0596  1.0596  1.3614  1.1737  0.8602  0.5882

  free energy =  -0.457336823345E+04  energy without entropy=  -0.457351871939E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   66(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) :-0.1213863E-04  (-0.4595941E-04)
 number of electron    2498.0000007 magnetization 
 augmentation part      162.6529047 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2279
  2.5076  1.5765  1.0377  1.0377  1.1121  0.9840  0.9840  0.5839

  free energy =  -0.457336824559E+04  energy without entropy=  -0.457351878709E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   66(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3344
 total energy-change (2. order) :-0.5886657E-05  (-0.6989725E-05)
 number of electron    2498.0000007 magnetization 
 augmentation part      162.6529047 magnetization 

  free energy =  -0.457336825147E+04  energy without entropy=  -0.457351882800E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0703       2 -56.1278       3 -56.0240       4 -55.8459       5 -55.8224
       6 -56.2880       7 -58.1720       8 -58.2352       9 -56.2483      10 -55.9317
      11 -56.0193      12 -55.7809      13 -55.7997      14 -55.9985      15 -58.0845
      16 -58.0928      17 -56.3549      18 -54.9770      19 -54.8521      20 -55.0861
      21 -55.6456      22 -55.5946      23 -55.6048      24 -55.5924      25 -54.9854
      26 -54.7081      27 -54.8948      28 -54.9246      29 -60.3687      30 -60.3543
      31 -55.6672      32 -55.8077      33 -55.7073      34 -55.3578      35 -55.4874
      36 -55.9847      37 -57.7796      38 -58.0056      39 -56.0682      40 -55.7705
      41 -55.8945      42 -55.6734      43 -55.7221      44 -55.8949      45 -58.0867
      46 -58.1241      47 -56.4507      48 -55.1210      49 -54.9267      50 -55.2756
      51 -55.8890      52 -55.8423      53 -55.7682      54 -55.7591      55 -55.0989
      56 -54.8574      57 -55.0016      58 -56.3809      59 -60.3562      60 -60.6072
      61 -55.9587      62 -56.0104      63 -55.8824      64 -55.7574      65 -55.7280
      66 -56.2131      67 -58.1223      68 -58.1540      69 -56.1930      70 -55.8651
      71 -55.9879      72 -55.6796      73 -55.6807      74 -55.9364      75 -58.0506
      76 -58.1023      77 -56.3991      78 -55.0824      79 -54.9153      80 -55.2137
      81 -55.8550      82 -55.8393      83 -55.8589      84 -55.8956      85 -55.2406
      86 -55.0097      87 -55.1814      88 -56.4101      89 -60.6707      90 -60.4335
      91 -55.7201      92 -55.8384      93 -55.7400      94 -55.4947      95 -55.5572
      96 -56.0709      97 -57.8879      98 -57.9984      99 -56.1803     100 -55.8890
     101 -56.0381     102 -55.7019     103 -55.7622     104 -55.9790     105 -58.1335
     106 -58.2051     107 -56.4486     108 -55.1511     109 -54.9842     110 -55.4025
     111 -55.9630     112 -55.8888     113 -55.7957     114 -55.8375     115 -55.0820
     116 -54.9310     117 -55.0443     118 -56.3406     119 -60.4533     120 -60.6153
     121 -55.9744     122 -56.0043     123 -55.8543     124 -55.7741     125 -55.7661
     126 -56.1854     127 -58.0648     128 -58.1944     129 -56.1404     130 -55.7791
     131 -55.8998     132 -55.6828     133 -55.6075     134 -55.8238     135 -57.8942
     136 -58.0488     137 -56.3805     138 -55.0308     139 -54.8465     140 -55.2691
     141 -55.8759     142 -55.8020     143 -55.8764     144 -55.8575     145 -55.1819
     146 -55.0646     147 -55.1920     148 -56.4067     149 -60.5117     150 -60.5632
     151 -55.6463     152 -55.6768     153 -55.5079     154 -55.3895     155 -55.4412
     156 -55.8995     157 -57.9599     158 -57.8749     159 -56.0043     160 -55.7434
     161 -55.9034     162 -55.5386     163 -55.5826     164 -55.7996     165 -57.9402
     166 -58.1232     167 -56.3994     168 -55.0317     169 -54.8001     170 -55.2538
     171 -55.8788     172 -55.8682     173 -55.8528     174 -55.7897     175 -55.3348
     176 -54.8953     177 -55.0590     178 -56.5049     179 -60.4574     180 -60.5954
     181 -55.9340     182 -56.1143     183 -55.9562     184 -55.6953     185 -55.7072
     186 -56.2668     187 -58.0398     188 -58.2249     189 -56.2770     190 -55.8791
     191 -56.0418     192 -55.7603     193 -55.7541     194 -55.9743     195 -58.0656
     196 -58.2086     197 -56.5088     198 -55.0615     199 -54.9174     200 -55.2678
     201 -55.8755     202 -55.8839     203 -55.9205     204 -55.8984     205 -55.1698
     206 -55.2266     207 -55.2089     208 -56.4861     209 -60.7391     210 -60.5067
     211 -55.9729     212 -56.0667     213 -55.9312     214 -55.7658     215 -55.7071
     216 -56.2446     217 -58.1253     218 -58.1905     219 -56.1181     220 -55.7972
     221 -55.9160     222 -55.5561     223 -55.4892     224 -55.8141     225 -57.9251
     226 -58.1242     227 -56.5167     228 -55.0874     229 -54.9729     230 -55.2670
     231 -55.7845     232 -55.8384     233 -55.8231     234 -55.7233     235 -54.9850
     236 -55.0874     237 -55.2125     238 -56.4536     239 -60.3823     240 -60.3679
     241 -55.9862     242 -56.0182     243 -55.8922     244 -55.7576     245 -55.7538
     246 -56.1905     247 -58.0838     248 -58.1332     249 -56.1771     250 -55.8594
     251 -55.9884     252 -55.7410     253 -55.7369     254 -55.9183     255 -57.9767
     256 -58.0742     257 -56.3156     258 -55.0166     259 -54.7733     260 -55.1879
     261 -55.7866     262 -55.7824     263 -55.9272     264 -55.9607     265 -55.3573
     266 -54.9934     267 -55.1908     268 -56.4127     269 -60.6145     270 -60.3501
     271 -55.8951     272 -55.9687     273 -55.8251     274 -55.7038     275 -55.6574
     276 -56.0939     277 -58.0918     278 -58.1412     279 -55.9575     280 -55.6535
     281 -55.7669     282 -55.5200     283 -55.5257     284 -55.8132     285 -58.0290
     286 -58.0030     287 -56.4142     288 -55.0458     289 -54.8956     290 -55.2320
     291 -55.8729     292 -55.8276     293 -55.8544     294 -55.8667     295 -55.2427
     296 -54.9583     297 -55.0666     298 -56.4536     299 -60.4792     300 -60.5895
     301 -55.8834     302 -56.0204     303 -55.9083     304 -55.6148     305 -55.6541
     306 -56.1564     307 -58.0579     308 -58.2346     309 -56.1783     310 -55.8469
     311 -55.9780     312 -55.6883     313 -55.6632     314 -55.8957     315 -57.9814
     316 -58.0816     317 -56.3685     318 -54.9647     319 -54.7429     320 -55.2379
     321 -55.7757     322 -55.6994     323 -55.8514     324 -55.8940     325 -55.2175
     326 -55.0551     327 -55.2219     328 -56.4362     329 -60.5692     330 -60.4152
     331 -55.7721     332 -55.8062     333 -55.6862     334 -55.6117     335 -55.5912
     336 -56.0417     337 -57.9684     338 -57.9481     339 -55.9341     340 -55.6081
     341 -55.7626     342 -55.5361     343 -55.5431     344 -55.7755     345 -57.9432
     346 -57.9659     347 -56.4826     348 -55.0207     349 -54.9305     350 -55.2744
     351 -55.8519     352 -55.7958     353 -55.7548     354 -55.7574     355 -55.2068
     356 -54.8861     357 -54.9871     358 -56.4235     359 -60.4610     360 -60.5539
     361 -39.1148     362 -38.8313     363 -39.0054     364 -39.0449     365 -39.0195
     366 -38.7568     367 -38.0835     368 -38.0405     369 -38.0175     370 -38.1440
     371 -38.1581     372 -38.2211     373 -38.7265     374 -38.3079     375 -38.7185
     376 -38.8037     377 -38.8436     378 -38.7555     379 -38.1507     380 -38.1392
     381 -38.2689     382 -38.0333     383 -38.2366     384 -38.0403     385 -38.9122
     386 -38.8117     387 -38.9244     388 -38.8757     389 -38.8552     390 -38.5668
     391 -38.2152     392 -38.2896     393 -38.1841     394 -38.1740     395 -38.2383
     396 -38.3091     397 -38.7462     398 -38.4474     399 -38.7991     400 -38.8862
     401 -38.8141     402 -38.7871     403 -38.2521     404 -38.2014     405 -38.4484
     406 -38.1109     407 -38.1401     408 -37.9729     409 -38.7869     410 -38.7860
     411 -39.0011     412 -38.7488     413 -38.9520     414 -38.6471     415 -38.2474
     416 -38.2648     417 -38.2105     418 -38.2046     419 -38.2638     420 -38.3463
     421 -38.5737     422 -38.3135     423 -38.5734     424 -38.6976     425 -38.5975
     426 -38.6138     427 -38.2199     428 -38.0796     429 -38.3598     430 -38.2615
     431 -38.1174     432 -38.0104     433 -38.7990     434 -38.7547     435 -38.9743
     436 -38.7347     437 -39.0041     438 -38.7027     439 -38.3994     440 -38.1657
     441 -38.1251     442 -38.1864     443 -38.2842     444 -38.1091     445 -38.9270
     446 -38.8623     447 -38.9746     448 -38.7594     449 -38.8063     450 -38.3702
     451 -38.0834     452 -38.0160     453 -38.1312     454 -37.9669     455 -38.1032
     456 -38.1432     457 -38.9440     458 -38.7344     459 -38.9243     460 -38.9273
     461 -38.9037     462 -38.6962     463 -38.1926     464 -38.1975     465 -38.1916
     466 -38.3840     467 -38.0918     468 -38.2818     469 -38.8827     470 -38.7021
     471 -38.7752     472 -38.7694     473 -38.6089     474 -38.4445     475 -38.2327
     476 -38.1139     477 -38.2108     478 -38.1577     479 -38.1767     480 -38.0403
     481 -38.8754     482 -38.7605     483 -38.9109     484 -38.8658     485 -38.9739
     486 -38.7638     487 -38.1415     488 -38.1814     489 -38.2058     490 -38.2835
     491 -38.2118     492 -38.3775     493 -38.7995     494 -38.5702     495 -38.6498
     496 -38.7227     497 -38.5041     498 -38.4851     499 -38.1863     500 -37.9753
     501 -38.1932     502 -38.1582     503 -38.1134     504 -38.0184     505 -38.2856
     506 -41.0834     507 -71.6729     508 -71.5987     509 -71.3765     510 -71.5652
     511 -71.4973     512 -71.5257     513 -71.3806     514 -71.5558     515 -71.5851
     516 -71.4695     517 -71.4416     518 -71.4559     519 -71.5568     520 -71.6567
     521 -71.5426     522 -71.4432     523 -71.5407     524 -71.4618     525 -71.5800
     526 -71.4004     527 -71.6059     528 -71.5106     529 -71.2471     530 -71.5575
     531 -76.8963     532 -76.8386     533 -76.7369     534 -76.7227     535 -76.6664
     536 -76.4285     537 -76.8077     538 -76.7712     539 -76.8424     540 -76.8328
     541 -76.7491     542 -76.6761     543 -76.6457     544 -76.6009     545 -76.8918
     546 -76.8187     547 -76.8504     548 -76.7111     549 -76.6951     550 -76.5068
     551 -76.5235     552 -76.6528     553 -76.8395     554 -76.6360     555 -76.8147
     556 -76.7409     557 -76.8574     558 -76.6984     559 -76.8294     560 -76.8141
     561 -76.7764     562 -76.5202     563 -76.7768     564 -76.7455     565 -76.7367
     566 -76.6213     567 -76.7880     568 -76.7796     569 -76.7464     570 -76.6780
     571 -76.8926     572 -76.7418     573 -76.7359     574 -76.6165     575 -76.5546
     576 -76.6001     577 -76.6091     578 -76.4803     579 -82.3549     580 -82.2430
     581 -82.2597     582 -82.3687     583 -82.2493     584 -82.2210     585 -82.4167
     586 -82.5012     587 -82.5826     588 -82.2129     589 -82.0903     590 -82.2827
     591 -82.3933     592 -82.2146     593 -82.2444     594 -82.7196     595 -82.4484
     596 -82.6531     597 -82.4390     598 -82.4556     599 -82.6125     600 -82.2183
     601 -82.1801     602 -82.3855     603 -82.4934     604 -82.3609     605 -82.5520
     606 -82.4223     607 -82.3720     608 -82.4353     609 -82.7471     610 -82.3328
     611 -82.3723     612 -82.4895     613 -82.2747     614 -82.2262     615 -82.5099
     616 -82.5101     617 -82.4000     618 -82.7395     619 -82.6576     620 -82.7454
     621 -82.1653     622 -82.3809     623 -82.3534     624 -82.3438     625 -82.2858
     626 -82.2697     627 -82.2072     628 -82.2868     629 -82.2100     630 -82.3990
     631 -82.5904     632 -82.3550     633 -82.4733     634 -82.4907     635 -82.5317
     636 -82.3655     637 -82.3531     638 -82.2502     639 -82.1730     640 -82.3813
     641 -82.3814     642 -82.4329     643 -82.5465     644 -82.3724     645 -82.3928
     646 -82.4084     647 -82.5247     648 -82.3825     649 -82.3426     650 -82.2650
 
 
 
 E-fermi :  -1.4714     XC(G=0):  -6.5102     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.1712      2.00000
      2     -28.9377      2.00000
      3     -28.9228      2.00000
      4     -28.9179      2.00000
      5     -28.9067      2.00000
      6     -28.8663      2.00000
      7     -28.8384      2.00000
      8     -28.8299      2.00000
      9     -28.8005      2.00000
     10     -28.8002      2.00000
     11     -28.7661      2.00000
     12     -28.7642      2.00000
     13     -28.7520      2.00000
     14     -28.7254      2.00000
     15     -28.6748      2.00000
     16     -28.6650      2.00000
     17     -28.6287      2.00000
     18     -28.6168      2.00000
     19     -28.6054      2.00000
     20     -28.6023      2.00000
     21     -28.5762      2.00000
     22     -28.5740      2.00000
     23     -28.5506      2.00000
     24     -28.5159      2.00000
     25     -26.9029      2.00000
     26     -26.7254      2.00000
     27     -26.6977      2.00000
     28     -26.6823      2.00000
     29     -26.6210      2.00000
     30     -26.5926      2.00000
     31     -26.5660      2.00000
     32     -26.5611      2.00000
     33     -26.5589      2.00000
     34     -26.5525      2.00000
     35     -26.5337      2.00000
     36     -26.5282      2.00000
     37     -26.5272      2.00000
     38     -26.5099      2.00000
     39     -26.5093      2.00000
     40     -26.4918      2.00000
     41     -26.4903      2.00000
     42     -26.4835      2.00000
     43     -26.4680      2.00000
     44     -26.4671      2.00000
     45     -26.4426      2.00000
     46     -26.4293      2.00000
     47     -26.4264      2.00000
     48     -26.4129      2.00000
     49     -26.4114      2.00000
     50     -26.4058      2.00000
     51     -26.3963      2.00000
     52     -26.3897      2.00000
     53     -26.3870      2.00000
     54     -26.3549      2.00000
     55     -26.3548      2.00000
     56     -26.3487      2.00000
     57     -26.3457      2.00000
     58     -26.3387      2.00000
     59     -26.3194      2.00000
     60     -26.3178      2.00000
     61     -26.3014      2.00000
     62     -26.2878      2.00000
     63     -26.2873      2.00000
     64     -26.2795      2.00000
     65     -26.2753      2.00000
     66     -26.2529      2.00000
     67     -26.2520      2.00000
     68     -26.2473      2.00000
     69     -26.2306      2.00000
     70     -26.2288      2.00000
     71     -26.2226      2.00000
     72     -26.1638      2.00000
     73     -23.2543      2.00000
     74     -23.2209      2.00000
     75     -23.1882      2.00000
     76     -23.1821      2.00000
     77     -23.1632      2.00000
     78     -23.1600      2.00000
     79     -23.1564      2.00000
     80     -23.1535      2.00000
     81     -23.1394      2.00000
     82     -23.1148      2.00000
     83     -23.0986      2.00000
     84     -23.0739      2.00000
     85     -23.0718      2.00000
     86     -23.0476      2.00000
     87     -23.0412      2.00000
     88     -23.0312      2.00000
     89     -23.0223      2.00000
     90     -22.9609      2.00000
     91     -22.9413      2.00000
     92     -22.9411      2.00000
     93     -22.9362      2.00000
     94     -22.9240      2.00000
     95     -22.9161      2.00000
     96     -22.9104      2.00000
     97     -22.8273      2.00000
     98     -22.8221      2.00000
     99     -22.8208      2.00000
    100     -22.7678      2.00000
    101     -22.7415      2.00000
    102     -22.7365      2.00000
    103     -22.7350      2.00000
    104     -22.7166      2.00000
    105     -22.7009      2.00000
    106     -22.6897      2.00000
    107     -22.6824      2.00000
    108     -22.6672      2.00000
    109     -22.6455      2.00000
    110     -22.6215      2.00000
    111     -22.6204      2.00000
    112     -22.6019      2.00000
    113     -22.5536      2.00000
    114     -22.5407      2.00000
    115     -22.5097      2.00000
    116     -22.5041      2.00000
    117     -22.4676      2.00000
    118     -22.4545      2.00000
    119     -22.4331      2.00000
    120     -22.4212      2.00000
    121     -20.4642      2.00000
    122     -20.3953      2.00000
    123     -20.3755      2.00000
    124     -20.3657      2.00000
    125     -20.3457      2.00000
    126     -20.3379      2.00000
    127     -20.3253      2.00000
    128     -20.3016      2.00000
    129     -20.2935      2.00000
    130     -20.2796      2.00000
    131     -20.2764      2.00000
    132     -20.2536      2.00000
    133     -20.2507      2.00000
    134     -20.2473      2.00000
    135     -20.2248      2.00000
    136     -20.2239      2.00000
    137     -20.2085      2.00000
    138     -20.1888      2.00000
    139     -20.1817      2.00000
    140     -20.1659      2.00000
    141     -20.1494      2.00000
    142     -20.1478      2.00000
    143     -20.1324      2.00000
    144     -19.9298      2.00000
    145     -18.6838      2.00000
    146     -18.5494      2.00000
    147     -18.5441      2.00000
    148     -18.5323      2.00000
    149     -18.5166      2.00000
    150     -18.4813      2.00000
    151     -18.4629      2.00000
    152     -18.4611      2.00000
    153     -18.4545      2.00000
    154     -18.4349      2.00000
    155     -18.3988      2.00000
    156     -18.3807      2.00000
    157     -18.3454      2.00000
    158     -18.2710      2.00000
    159     -18.2598      2.00000
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   1299       1.8481     -0.00000
   1300       1.8601     -0.00000
   1301       1.8952     -0.00000
   1302       1.9147     -0.00000
   1303       1.9241     -0.00000
   1304       1.9823     -0.00000
   1305       2.0013     -0.00000
   1306       2.0189     -0.00000
   1307       2.0670     -0.00000
   1308       2.0729     -0.00000
   1309       2.0959     -0.00000
   1310       2.1105     -0.00000
   1311       2.1430     -0.00000
   1312       2.1472     -0.00000
   1313       2.1539     -0.00000
   1314       2.1615     -0.00000
   1315       2.1920     -0.00000
   1316       2.2061     -0.00000
   1317       2.2187     -0.00000
   1318       2.2313     -0.00000
   1319       2.2532     -0.00000
   1320       2.2820     -0.00000
   1321       2.3552     -0.00000
   1322       2.4295     -0.00000
   1323       2.4445     -0.00000
   1324       2.4540     -0.00000
   1325       2.4821     -0.00000
   1326       2.5098     -0.00000
   1327       2.5250     -0.00000
   1328       2.5401     -0.00000
   1329       2.5491     -0.00000
   1330       2.5552     -0.00000
   1331       2.5581     -0.00000
   1332       2.5745     -0.00000
   1333       2.5913     -0.00000
   1334       2.6040     -0.00000
   1335       2.6281     -0.00000
   1336       2.6407     -0.00000
   1337       2.6541     -0.00000
   1338       2.6670     -0.00000
   1339       2.6765     -0.00000
   1340       2.6793     -0.00000
   1341       2.6874     -0.00000
   1342       2.7154     -0.00000
   1343       2.7537     -0.00000
   1344       2.7702     -0.00000
   1345       2.7904     -0.00000
   1346       2.9477     -0.00000
   1347       2.9812     -0.00000
   1348       3.0134     -0.00000
   1349       3.0167     -0.00000
   1350       3.0374     -0.00000
   1351       3.0635     -0.00000
   1352       3.0728     -0.00000
   1353       3.0912     -0.00000
   1354       3.1221     -0.00000
   1355       3.1408     -0.00000
   1356       3.1558     -0.00000
   1357       3.1596     -0.00000
   1358       3.1680     -0.00000
   1359       3.2047     -0.00000
   1360       3.2274     -0.00000
   1361       3.2744     -0.00000
   1362       3.3399     -0.00000
   1363       3.4484     -0.00000
   1364       3.5133     -0.00000
   1365       3.5692     -0.00000
   1366       3.6116     -0.00000
   1367       3.6392     -0.00000
   1368       3.6963     -0.00000
   1369       3.7285     -0.00000
   1370       3.7461     -0.00000
   1371       3.7885     -0.00000
   1372       3.8095     -0.00000
   1373       3.8428     -0.00000
   1374       3.8606      0.00000
   1375       3.8615      0.00000
   1376       3.8879      0.00000
   1377       3.8939      0.00000
   1378       3.9147      0.00000
   1379       3.9295      0.00000
   1380       3.9326      0.00000
   1381       3.9483      0.00000
   1382       3.9617      0.00000
   1383       3.9644      0.00000
   1384       3.9898      0.00000
   1385       3.9988      0.00000
   1386       4.0184      0.00000
   1387       4.0199      0.00000
   1388       4.0278      0.00000
   1389       4.0428      0.00000
   1390       4.0487      0.00000
   1391       4.0747      0.00000
   1392       4.0803      0.00000
   1393       4.0926      0.00000
   1394       4.1070      0.00000
   1395       4.1115      0.00000
   1396       4.1262      0.00000
   1397       4.1432      0.00000
   1398       4.1549      0.00000
   1399       4.1668      0.00000
   1400       4.1747      0.00000
   1401       4.1794      0.00000
   1402       4.2043      0.00000
   1403       4.2263      0.00000
   1404       4.2302      0.00000
   1405       4.2439      0.00000
   1406       4.2591      0.00000
   1407       4.2714      0.00000
   1408       4.2974      0.00000
   1409       4.3103      0.00000
   1410       4.3203      0.00000
   1411       4.3395      0.00000
   1412       4.3459      0.00000
   1413       4.3483      0.00000
   1414       4.3717      0.00000
   1415       4.3913      0.00000
   1416       4.4068      0.00000
   1417       4.4182      0.00000
   1418       4.4218      0.00000
   1419       4.4401      0.00000
   1420       4.4514      0.00000
   1421       4.4629      0.00000
   1422       4.4705      0.00000
   1423       4.4862      0.00000
   1424       4.5100      0.00000
   1425       4.5293      0.00000
   1426       4.5477      0.00000
   1427       4.5592      0.00000
   1428       4.5728      0.00000
   1429       4.5891      0.00000
   1430       4.6178      0.00000
   1431       4.6428      0.00000
   1432       4.6664      0.00000
   1433       4.6826      0.00000
   1434       4.6891      0.00000
   1435       4.7626      0.00000
   1436       4.7737      0.00000
   1437       4.8051      0.00000
   1438       4.8146      0.00000
   1439       4.8334      0.00000
   1440       4.8435      0.00000
   1441       4.8724      0.00000
   1442       4.8777      0.00000
   1443       4.9130      0.00000
   1444       4.9343      0.00000
   1445       4.9430      0.00000
   1446       4.9445      0.00000
   1447       4.9713      0.00000
   1448       4.9774      0.00000
   1449       5.0084      0.00000
   1450       5.0107      0.00000
   1451       5.0347      0.00000
   1452       5.0455      0.00000
   1453       5.0620      0.00000
   1454       5.0776      0.00000
   1455       5.1001      0.00000
   1456       5.1071      0.00000
   1457       5.1173      0.00000
   1458       5.1286      0.00000
   1459       5.1437      0.00000
   1460       5.1492      0.00000
   1461       5.1840      0.00000
   1462       5.1937      0.00000
   1463       5.2128      0.00000
   1464       5.2296      0.00000
   1465       5.2369      0.00000
   1466       5.2453      0.00000
   1467       5.2660      0.00000
   1468       5.2722      0.00000
   1469       5.2743      0.00000
   1470       5.2869      0.00000
   1471       5.3003      0.00000
   1472       5.3094      0.00000
   1473       5.3197      0.00000
   1474       5.3391      0.00000
   1475       5.3453      0.00000
   1476       5.3483      0.00000
   1477       5.3555      0.00000
   1478       5.3612      0.00000
   1479       5.3692      0.00000
   1480       5.3793      0.00000
   1481       5.3933      0.00000
   1482       5.4091      0.00000
   1483       5.4157      0.00000
   1484       5.4323      0.00000
   1485       5.4332      0.00000
   1486       5.4409      0.00000
   1487       5.4518      0.00000
   1488       5.4639      0.00000
   1489       5.4665      0.00000
   1490       5.4737      0.00000
   1491       5.4905      0.00000
   1492       5.4964      0.00000
   1493       5.4996      0.00000
   1494       5.5103      0.00000
   1495       5.5171      0.00000
   1496       5.5217      0.00000
   1497       5.5376      0.00000
   1498       5.5430      0.00000
   1499       5.5529      0.00000
   1500       5.5614      0.00000
   1501       5.5669      0.00000
   1502       5.5807      0.00000
   1503       5.5954      0.00000
   1504       5.6062      0.00000
   1505       5.6092      0.00000
   1506       5.6165      0.00000
   1507       5.6292      0.00000
   1508       5.6369      0.00000
   1509       5.6528      0.00000
   1510       5.6570      0.00000
   1511       5.6590      0.00000
   1512       5.6700      0.00000
   1513       5.6723      0.00000
   1514       5.6912      0.00000
   1515       5.7084      0.00000
   1516       5.7207      0.00000
   1517       5.7275      0.00000
   1518       5.7336      0.00000
   1519       5.7432      0.00000
   1520       5.7548      0.00000
   1521       5.7608      0.00000
   1522       5.7749      0.00000
   1523       5.7880      0.00000
   1524       5.7972      0.00000
   1525       5.8044      0.00000
   1526       5.8111      0.00000
   1527       5.8170      0.00000
   1528       5.8304      0.00000
   1529       5.8521      0.00000
   1530       5.8535      0.00000
   1531       5.8740      0.00000
   1532       5.8758      0.00000
   1533       5.8897      0.00000
   1534       5.8988      0.00000
   1535       5.9031      0.00000
   1536       5.9133      0.00000
   1537       5.9181      0.00000
   1538       5.9234      0.00000
   1539       5.9314      0.00000
   1540       5.9422      0.00000
   1541       5.9582      0.00000
   1542       5.9735      0.00000
   1543       5.9773      0.00000
   1544       5.9841      0.00000
   1545       5.9952      0.00000
   1546       6.0123      0.00000
   1547       6.0168      0.00000
   1548       6.0230      0.00000
   1549       6.0324      0.00000
   1550       6.0417      0.00000
   1551       6.0508      0.00000
   1552       6.0523      0.00000
   1553       6.0593      0.00000
   1554       6.0685      0.00000
   1555       6.0780      0.00000
   1556       6.0892      0.00000
   1557       6.0948      0.00000
   1558       6.1046      0.00000
   1559       6.1230      0.00000
   1560       6.1320      0.00000
   1561       6.1405      0.00000
   1562       6.1451      0.00000
   1563       6.1641      0.00000
   1564       6.1689      0.00000
   1565       6.1757      0.00000
   1566       6.1771      0.00000
   1567       6.1861      0.00000
   1568       6.2006      0.00000
   1569       6.2083      0.00000
   1570       6.2144      0.00000
   1571       6.2266      0.00000
   1572       6.2323      0.00000
   1573       6.2380      0.00000
   1574       6.2426      0.00000
   1575       6.2441      0.00000
   1576       6.2700      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.089  13.414  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.414  17.834  -0.001   0.002  -0.000   0.002  -0.006   0.000
 -0.001  -0.001  -4.235   0.003   0.001   8.283  -0.004  -0.001
  0.001   0.002   0.003  -4.235   0.001  -0.004   8.282  -0.001
 -0.000  -0.000   0.001   0.001  -4.228  -0.001  -0.001   8.274
  0.002   0.002   8.283  -0.004  -0.001 -18.331   0.007   0.002
 -0.004  -0.006  -0.004   8.282  -0.001   0.007 -18.327  -0.000
  0.000   0.000  -0.001  -0.001   8.274   0.002  -0.000 -18.321
 total augmentation occupancy for first ion, spin component:           1
  8.420  -3.787   0.176   0.151  -0.043   0.022   0.028  -0.007
 -3.787   1.776  -0.092  -0.102   0.025  -0.010  -0.017   0.004
  0.176  -0.092   1.777  -0.060  -0.040   0.168  -0.012  -0.008
  0.151  -0.102  -0.060   1.892  -0.090  -0.012   0.176  -0.012
 -0.043   0.025  -0.040  -0.090   1.225  -0.008  -0.012   0.080
  0.022  -0.010   0.168  -0.012  -0.008   0.018  -0.002  -0.001
  0.028  -0.017  -0.012   0.176  -0.012  -0.002   0.018  -0.002
 -0.007   0.004  -0.008  -0.012   0.080  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -50280.67960 90420.06292 22681.71881-10496.65461  6394.14742 19524.82489
  Hartree  5373.58496117412.41159 60555.59240-10932.92578  4370.41942 13788.26040
  E(xc)  -10735.24638-10588.68246-10629.94715     2.84606     8.09887    33.20085
  Local   11478.23113************************ 21425.62172-10785.50127-32715.97642
  n-local -5844.95644 -5981.35926 -6035.47807     4.34174    16.91939   -64.28281
  augment  1493.02639  1535.86690  1486.59433     4.79814    12.48524    -3.42644
  Kinetic 45493.12984 43270.74706 43647.60434   -27.95189   -67.75644  -573.75193
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -115.0513836   -390.0769768   -155.2578086    -19.9246024    -51.1873693    -11.1514550
  in kB      -19.1857391    -65.0484582    -25.8904823     -3.3225869     -8.5359036     -1.8595944
  external PRESSURE =     -36.7082266 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.229E+03 -.109E+03 0.249E+03   0.229E+03 0.109E+03 -.250E+03   -.117E+00 -.420E+00 0.150E+01   0.132E-02 0.242E-02 0.838E-03
   -.188E+03 -.135E+03 0.618E+02   0.188E+03 0.137E+03 -.616E+02   0.249E+00 -.117E+01 -.303E+00   0.155E-02 0.222E-02 0.409E-03
   -.158E+03 -.125E+03 0.601E+01   0.158E+03 0.126E+03 -.443E+01   0.331E+00 -.131E+01 -.155E+01   0.181E-02 0.154E-02 0.260E-03
   -.216E+03 -.941E+02 0.335E+03   0.216E+03 0.940E+02 -.337E+03   -.322E+00 0.868E-01 0.246E+01   0.179E-02 0.203E-02 0.128E-02
   -.163E+03 -.145E+03 0.299E+03   0.163E+03 0.146E+03 -.300E+03   0.728E-01 -.754E+00 0.109E+01   0.203E-02 0.170E-02 0.105E-02
   -.141E+03 -.111E+03 0.167E+03   0.141E+03 0.111E+03 -.167E+03   0.206E+00 -.194E+00 0.161E+00   0.182E-02 0.137E-02 0.474E-03
   -.228E+03 -.129E+03 0.177E+03   0.228E+03 0.133E+03 -.178E+03   0.748E+00 -.433E+01 0.929E+00   0.114E-02 0.267E-02 0.657E-03
   -.181E+03 -.108E+03 0.329E+02   0.182E+03 0.112E+03 -.349E+02   -.437E+00 -.412E+01 0.203E+01   0.160E-02 0.278E-02 0.211E-03
   -.102E+03 0.542E+01 0.194E+03   0.102E+03 -.546E+01 -.194E+03   0.106E+00 -.561E-01 0.148E+00   0.179E-02 0.649E-03 -.793E-04
   -.799E+02 0.871E+02 0.618E+02   0.794E+02 -.886E+02 -.606E+02   0.551E+00 0.150E+01 -.112E+01   0.195E-02 -.341E-03 -.101E-02
   -.896E+02 0.104E+03 0.135E+03   0.894E+02 -.105E+03 -.135E+03   0.933E-01 0.109E+01 0.130E+00   0.165E-02 -.138E-02 -.126E-02
   -.103E+03 -.326E+01 0.330E+03   0.103E+03 0.307E+01 -.331E+03   -.176E+00 0.257E+00 0.124E+01   0.151E-02 0.108E-03 -.168E-04
   -.108E+03 -.453E+02 0.358E+03   0.108E+03 0.464E+02 -.360E+03   -.810E-01 -.106E+01 0.219E+01   0.128E-02 -.158E-02 -.293E-03
   -.112E+03 0.194E+02 0.303E+03   0.112E+03 -.193E+02 -.305E+03   -.240E+00 -.155E+00 0.152E+01   0.136E-02 -.220E-02 -.676E-03
   -.990E+02 0.106E+03 0.266E+03   0.984E+02 -.110E+03 -.269E+03   0.722E+00 0.379E+01 0.227E+01   0.120E-02 -.361E-02 -.255E-03
   -.850E+02 0.115E+03 0.101E+03   0.849E+02 -.119E+03 -.104E+03   0.771E-01 0.306E+01 0.354E+01   0.134E-02 -.214E-02 -.120E-02
   -.697E+02 0.109E+03 0.515E+02   0.702E+02 -.105E+03 -.471E+02   -.555E+00 -.456E+01 -.415E+01   0.119E-02 -.202E-02 -.115E-02
   -.325E+01 0.205E+03 -.148E+03   0.269E+01 -.207E+03 0.150E+03   0.479E+00 0.165E+01 -.201E+01   0.970E-03 -.809E-03 -.940E-03
   0.318E+02 0.151E+03 -.197E+03   -.321E+02 -.151E+03 0.199E+03   0.143E+00 0.101E+00 -.192E+01   0.119E-02 -.333E-03 -.542E-03
   -.656E+02 0.106E+03 0.179E+03   0.667E+02 -.105E+03 -.182E+03   -.944E+00 -.904E+00 0.305E+01   0.148E-02 -.121E-02 0.129E-04
   0.199E+01 0.677E+02 0.279E+01   -.313E+01 -.693E+02 -.159E+01   0.116E+01 0.149E+01 -.126E+01   0.161E-02 -.455E-03 0.151E-03
   0.114E+02 0.101E+02 -.127E+03   -.114E+02 -.103E+02 0.128E+03   0.434E-01 0.728E-01 -.728E+00   0.135E-02 -.364E-03 -.283E-03
   -.276E+02 -.331E+02 -.174E+03   0.279E+02 0.333E+02 0.173E+03   -.358E+00 -.268E+00 0.450E+00   0.169E-02 -.677E-03 -.487E-03
   -.370E+02 -.746E+02 -.231E+03   0.382E+02 0.763E+02 0.230E+03   -.117E+01 -.182E+01 0.949E+00   0.180E-02 -.996E-03 -.549E-03
   -.193E+02 -.159E+03 -.338E+03   0.187E+02 0.159E+03 0.340E+03   0.490E+00 -.779E+00 -.186E+01   0.292E-02 -.156E-02 -.929E-03
   -.104E+03 -.162E+03 -.157E+03   0.105E+03 0.162E+03 0.155E+03   -.112E+01 -.124E+00 0.157E+01   0.240E-02 -.553E-03 -.303E-03
   -.905E+02 -.280E+03 -.189E+03   0.908E+02 0.281E+03 0.188E+03   -.162E+00 -.936E+00 0.319E+00   0.301E-02 -.320E-03 -.332E-03
   -.395E+02 -.264E+03 -.289E+03   0.394E+02 0.265E+03 0.290E+03   0.276E-01 -.136E+01 -.521E+00   0.364E-02 -.676E-03 -.744E-03
   -.460E+02 -.229E+02 -.216E+03   0.520E+02 0.306E+02 0.211E+03   -.598E+01 -.782E+01 0.505E+01   0.688E-03 -.153E-02 0.545E-04
   -.305E+01 0.523E+02 0.223E+02   -.163E+01 -.611E+02 -.176E+02   0.483E+01 0.865E+01 -.479E+01   0.238E-02 -.583E-03 0.106E-02
   -.200E+03 -.261E+02 -.447E+02   0.200E+03 0.262E+02 0.464E+02   -.310E+00 -.133E+00 -.159E+01   0.124E-02 0.159E-02 -.560E-03
   -.133E+03 -.147E+03 0.137E+03   0.133E+03 0.148E+03 -.137E+03   0.108E+00 -.134E+01 -.282E+00   0.105E-02 0.155E-02 -.611E-03
   -.144E+03 -.157E+03 0.187E+03   0.144E+03 0.158E+03 -.188E+03   0.161E+00 -.173E+01 0.985E+00   0.867E-03 0.121E-02 -.108E-02
   -.296E+03 0.982E+01 -.168E+03   0.296E+03 -.115E+02 0.170E+03   0.805E-01 0.168E+01 -.263E+01   0.192E-02 0.182E-02 -.158E-03
   -.289E+03 -.641E+02 -.186E+03   0.290E+03 0.641E+02 0.187E+03   -.729E-01 -.368E-01 -.122E+01   0.210E-02 0.747E-03 0.215E-03
   -.209E+03 -.728E+02 0.516E+01   0.209E+03 0.728E+02 -.519E+01   0.313E+00 0.135E+00 -.107E+00   0.124E-02 0.393E-03 -.753E-03
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 -----------------------------------------------------------------------------------------------
   0.172E+02 -.697E+01 -.999E+01   0.280E-10 -.421E-11 -.455E-11   -.170E+02 0.695E+01 0.999E+01   -.209E+00 0.486E-01 -.971E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.11415      3.15108      1.33888        -0.000781      0.145505      0.014403
     12.88494      3.58205      2.64360         0.007775      0.160857     -0.063387
     12.84907      4.94228      2.97779         0.031937     -0.130840      0.030432
     13.16133      4.08522      0.30657        -0.011256      0.033895      0.040398
     13.02668      5.43838      0.62999        -0.001557     -0.098410      0.041440
     12.95373      5.92326      1.95766         0.099092      0.022907      0.054866
     13.26346      1.67020      1.34033         0.025039      0.137731      0.156535
     12.68789      2.37452      3.49861         0.097632     -0.169933      0.012329
     13.06135      7.40460      2.21867        -0.006137     -0.086270      0.015935
     13.07525      7.97311      3.51480         0.025987      0.002736      0.081709
     13.31966      9.34017      3.67438        -0.080272     -0.035900     -0.041298
     13.23271      8.30532      1.13915        -0.031422      0.072280      0.164607
     13.45039      9.67692      1.29964         0.050812      0.001591      0.030835
     13.51976     10.19458      2.59497        -0.094807     -0.091051      0.024836
     13.74397     11.58026      3.11455         0.147006     -0.080849     -0.143585
     13.38117     10.14633      4.92642         0.033381      0.013835      0.434803
     13.74773     12.61635      5.46932        -0.095476      0.011482      0.231367
     13.48571     12.49834      6.84655        -0.072545     -0.228933     -0.031785
     13.52279     13.60657      7.69186        -0.104772     -0.103030     -0.011156
     14.08896     13.90879      5.04943         0.110705      0.008886     -0.136673
     14.12995     15.01995      5.91476         0.023658     -0.046441     -0.059355
     13.82649     14.92745      7.31494        -0.022577     -0.057222      0.292032
     13.88420     16.03280      8.38020        -0.046528     -0.144225     -0.186516
     13.25801     16.05455      9.67946        -0.010836     -0.154839     -0.155871
     13.34342     17.19241     10.50136        -0.084003     -0.117019     -0.075483
     14.60524     17.20855      8.10586         0.002368     -0.028469     -0.081887
     14.59429     18.36397      8.87439         0.167413     -0.098155     -0.018410
     13.94235     18.37736     10.09156        -0.062127     -0.129418      0.051428
     12.44652     14.93990     10.30989        -0.000074     -0.128973      0.015590
     14.70311     16.24045      5.23495         0.150557     -0.090885     -0.074847
      9.79444      3.84909      4.73958         0.066650     -0.012078      0.113629
      9.72068      4.77402      3.70635         0.057264      0.116114      0.010307
      9.78705      6.15232      3.96675        -0.051738      0.009982     -0.065436
      9.97737      4.26417      6.05390         0.063310     -0.019443     -0.044018
     10.04613      5.62861      6.31355         0.045742      0.016958     -0.084584
      9.94947      6.61678      5.30308         0.000370      0.054800     -0.144760
      9.57248      2.48519      4.20881        -0.085856     -0.507766      0.192635
      9.58916      4.00666      2.42064        -0.051009     -0.228809     -0.076102
     10.02149      8.07193      5.69015        -0.011857      0.116118     -0.071031
     10.07951      9.12679      4.74284        -0.065767     -0.021937     -0.077675
     10.19740     10.44596      5.17674         0.040846      0.030600     -0.124348
     10.00892      8.46555      7.05365         0.125340      0.027695     -0.072346
     10.07637      9.79974      7.48377         0.004078     -0.135260     -0.057734
     10.19964     10.80019      6.52394         0.045157     -0.109490     -0.064898
     10.28256     12.28477      6.63759        -0.047006     -0.228099     -0.344949
     10.30716     11.69486      4.36991        -0.166603      0.153639     -0.028480
     10.74216     14.14598      4.90741        -0.100023     -0.031571     -0.079543
     11.25217     14.47780      3.64614        -0.010763     -0.046529      0.033433
     11.62492     15.78768      3.33939         0.071955     -0.198409      0.033060
     10.59731     15.22977      5.78350         0.064872      0.021765      0.110805
     10.97903     16.55380      5.47371        -0.010137      0.039139     -0.087769
     11.53926     16.91334      4.18301         0.092886      0.117917      0.019058
     12.03369     18.29819      3.70474        -0.023438     -0.086579     -0.018553
     12.61796     18.69635      2.43240        -0.013895      0.026879      0.124485
     12.92834     20.04610      2.17004         0.140552      0.051567     -0.080070
     11.93328     19.39568      4.58485        -0.023857      0.015118     -0.001988
     12.21176     20.73239      4.31707        -0.017891      0.059191     -0.149117
     12.67993     21.10886      3.05537         0.023601     -0.020821     -0.032489
     13.07037     17.81415      1.26269         0.097975     -0.201021     -0.090939
     10.78785     17.47142      6.67470         0.051335      0.117315      0.105613
     10.48173      7.07183     14.70850         0.094250      0.213595      0.091920
     10.39473      7.49445     16.03352         0.031159      0.028694      0.070444
     10.42038      8.86030     16.37907         0.013387     -0.406740      0.118900
     10.49988      8.02868     13.69084        -0.002925     -0.277060      0.196974
     10.42929      9.37801     14.03678         0.079435      0.071290      0.068326
     10.44540      9.85965     15.37305         0.122441      0.166461     -0.018741
     10.54061      5.57727     14.66135        -0.142740      0.563253      0.725938
     10.23441      6.25700     16.89194         0.087862     -0.008132     -0.524911
     10.51990     11.36390     15.63091         0.064511     -0.036953      0.010415
     10.57516     11.97498     16.91500         0.086224      0.045944      0.067355
     10.69817     13.37158     17.03822        -0.007074     -0.072701     -0.004284
     10.58920     12.25777     14.53002         0.029906      0.054108      0.073959
     10.72476     13.64747     14.64839         0.075324     -0.046911      0.074477
     10.78985     14.20933     15.92662        -0.086700     -0.128356      0.047372
     10.91757     15.63049     16.38965         0.058284      0.042748     -0.077513
     10.73252     14.24142     18.26579         0.079793      0.030182      0.286636
     10.73771     16.78225     18.69258         0.045746     -0.104152     -0.095069
     10.09583     16.74374     19.92701        -0.072921      0.104317     -0.004782
      9.92026     17.90336     20.68552         0.039205      0.023653     -0.102406
     11.24357     18.04597     18.34392         0.131386     -0.011253     -0.096280
     11.11744     19.21780     19.12801        -0.078037     -0.055573      0.137753
     10.39519     19.20159     20.40040         0.049534     -0.084770      0.183539
     10.12105     20.34168      0.17162         0.040540     -0.039817     -0.281884
      9.46507     20.29492      1.46771        -0.090071      0.113296     -0.143212
      9.25425      0.19540      2.25013        -0.003819     -0.031648     -0.063298
     10.50964      0.40018     21.11689         0.124831      0.031067      0.006431
     10.29511      1.54855      0.62658         0.050989      0.138241     -0.219965
      9.67573      1.48045      1.87548         0.052518     -0.053630     -0.011787
      8.80383     19.09009      2.10358        -0.092245     -0.030338     -0.248173
     11.87026     20.38562     18.47155         0.129567     -0.131233     -0.154208
      7.28254      7.64582     17.39054         0.003372      0.111953     -0.048601
      7.15361      8.57738     16.36044         0.071360      0.059820      0.011867
      7.11030      9.95365     16.63501        -0.024234     -0.024479     -0.009081
      7.45860      8.06614     18.70266        -0.052036      0.017920      0.024225
      7.47024      9.43627     18.97095         0.062473     -0.081727     -0.191171
      7.27845     10.42505     17.97319        -0.038278      0.090727     -0.114373
      7.03341      6.28462     16.85348        -0.070265      0.084009     -0.071665
      7.03161      7.80458     15.06663        -0.137231     -0.153464      0.071618
      7.24496     11.88597     18.39042         0.026612      0.030099     -0.083432
      7.19001     12.97847     17.48092        -0.064079      0.132702     -0.030719
      7.19045     14.30115     17.95639         0.034061     -0.106759     -0.139585
      7.31232     12.23195     19.76687         0.056786      0.102845     -0.116861
      7.32322     13.55190     20.23606        -0.053264     -0.067265     -0.102533
      7.23268     14.59764     19.31784         0.044543     -0.141339     -0.047043
      7.19069     16.08033     19.50952         0.008459     -0.343890     -0.539877
      7.21904     15.60370     17.20867        -0.100708      0.175823      0.182575
      7.52592     18.05733     17.90282        -0.075649      0.016177     -0.081073
      8.29186     18.43187     16.80010         0.128138     -0.002590     -0.027611
      8.65015     19.76522     16.57379         0.012267     -0.313077      0.156622
      7.08097     19.12818     18.69452         0.112391      0.014821      0.019771
      7.43456     20.48632     18.46943         0.003160      0.052179     -0.218358
      8.29343     20.88614     17.34815        -0.105355     -0.030495      0.006957
      8.84449      1.01731     16.91343         0.081986     -0.168109      0.090629
      9.54846      1.37507     15.68052        -0.031133      0.107732      0.082402
      9.96854      2.71098     15.46397         0.240704     -0.226164      0.147939
      8.70931      2.12035     17.78558         0.122240      0.227245     -0.114900
      9.18908      3.42433     17.58195         0.034078      0.057960     -0.068750
      9.82306      3.76229     16.37615        -0.082330      0.202246     -0.022076
     10.03056      0.50161     14.48364         0.114781      0.174149      0.048509
      6.73733      0.13830     19.48504         0.165150      0.158349     -0.061328
      6.92550     10.83767      6.16176        -0.009863      0.124688      0.127105
      6.83021     11.28400      7.47728         0.046102      0.107017      0.103824
      6.87739     12.65466      7.80464         0.044722     -0.116701      0.048372
      7.11700     11.77183      5.14058        -0.062159      0.015596      0.040775
      7.18587     13.13165      5.46850        -0.079643     -0.035941      0.184362
      7.05737     13.63774      6.79062        -0.037819      0.076650      0.032176
      6.92069      9.34236      6.14718         0.026382     -0.116967     -0.107668
      6.80893     10.06331      8.36248         0.012934     -0.151168      0.079476
      7.15540     15.14474      7.03526        -0.049506      0.010998     -0.062332
      7.11572     15.77405      8.31131         0.005537      0.072492      0.075469
      7.24182     17.17410      8.42950         0.003632     -0.110446     -0.010895
      7.34051     16.02693      5.93034        -0.075292     -0.038021      0.226877
      7.41920     17.41734      6.04768        -0.096369     -0.046579      0.024820
      7.34639     17.99871      7.31200        -0.044393     -0.174678      0.069808
      7.48816     19.42419      7.74256         0.003906      0.216897     -0.310551
      7.42677     18.04532      9.64259         0.042737      0.042474      0.274958
      7.64870     20.58345     10.01091         0.015600     -0.015766      0.152435
      7.20286     20.57915     11.32949        -0.056403     -0.147106      0.038454
      7.19313      0.47650     12.09999        -0.066906     -0.249176     -0.037898
      8.23638      0.54088      9.61537         0.038415      0.097601      0.014043
      8.32259      1.69114     10.44286         0.066250     -0.038008      0.133153
      7.70370      1.73237     11.76747         0.051794      0.104710      0.102437
      7.51177      2.87272     12.80663         0.034338     -0.012494     -0.141432
      6.88586      2.83855     14.13141         0.066201      0.051565     -0.329587
      6.70072      4.00627     14.89692         0.063154     -0.098480     -0.067910
      7.93178      4.17923     12.47905        -0.012704     -0.023998      0.120583
      7.77817      5.32036     13.27388        -0.016023      0.216548     -0.114314
      7.14848      5.27869     14.52308         0.139534      0.058111     -0.177230
      6.27829      1.64969     14.87116         0.245505     -0.112224      0.012065
      9.27276      2.73807      9.86490         0.049875     -0.031312      0.164278
      4.26502     11.50314     10.55946        -0.070937      0.201885     -0.058204
      4.01025     12.37091      9.50280        -0.007788      0.106859     -0.012549
      4.08121     13.75895      9.65392         0.050086      0.026565     -0.093192
      4.62206     12.03183     11.80223         0.033704      0.001259     -0.045618
      4.63874     13.42256     11.97211         0.049439      0.048300     -0.229919
      4.38375     14.33606     10.91235         0.056742     -0.019483     -0.090633
      3.87414     10.12146     10.15581         0.021816      0.173247      0.038324
      3.52937     11.56391      8.33891        -0.048140      0.026254     -0.233850
      4.41528     15.83326     11.13555        -0.021548     -0.009931      0.024874
      4.07050     16.78887     10.13484        -0.106153     -0.009383     -0.119633
      4.12035     18.16010     10.42529        -0.038598     -0.118720     -0.139170
      4.81787     16.34983     12.39613        -0.028370     -0.057517     -0.156766
      4.79847     17.71306     12.69997         0.026113     -0.205912      0.090814
      4.41941     18.60763     11.70945        -0.016212     -0.102822     -0.137608
      4.29213     20.07705     11.75675        -0.064349     -0.138701     -0.196920
      3.97631     19.37499      9.53758         0.064494      0.112862      0.955499
      4.35383      0.63530     10.03840         0.057320     -0.054598     -0.194225
      4.82540      0.99614      8.77546         0.073558      0.143674     -0.097982
      5.32518      2.27783      8.55070         0.068029     -0.190594      0.042813
      4.23302      1.71648     10.91892         0.071441      0.139066     -0.026560
      4.74255      3.02749     10.67979        -0.087898     -0.054637     -0.021221
      5.42210      3.36915      9.44603         0.067863      0.062355     -0.042443
      6.04972      4.72303      8.93858        -0.203579     -0.064044      0.110117
      6.52667      5.03079      7.60507        -0.004841      0.025770     -0.013845
      6.84052      6.34631      7.17437        -0.029290      0.121556     -0.038500
      6.03314      5.89258      9.72942         0.093635      0.076147     -0.156202
      6.26447      7.20145      9.28468         0.092456      0.123340      0.182079
      6.64334      7.50333      7.96776         0.018160     -0.065945      0.042126
      6.68545      3.99380      6.50126         0.014174     -0.115014      0.035870
      4.24255      3.87064     11.84905        -0.084298     -0.114698      0.084203
      0.86508     14.14065      0.95099         0.231044      0.118055      0.318418
      1.52350     14.58593      2.09914         0.056595      0.003032     -0.027006
      1.57194     15.96900      2.39528        -0.054748      0.066032      0.208682
      0.40327     15.03848      0.00499        -0.103312      0.093189      0.012598
      0.52350     16.40053      0.26312         0.000568     -0.071563      0.164742
      1.02914     16.93221      1.48075        -0.121543      0.103210     -0.137105
      0.81038     12.67017      0.93439        -0.191904     -0.252355     -0.041029
      2.15268     13.34117      2.73246         0.264148     -0.300848      0.101192
      0.94651     18.46211      1.65147        -0.005001     -0.057227      0.157415
      1.31182     19.21187      2.80760         0.076051      0.090074      0.060551
      1.19424     20.62005      2.81350         0.153481     -0.261572      0.125732
      0.44403     19.24321      0.57164        -0.031101      0.174924      0.002934
      0.25897     20.63110      0.60218         0.102769     -0.059447      0.118728
      0.64635      0.06707      1.74673        -0.070116     -0.255814     -0.031751
      0.57662      1.51512      2.07789        -0.208371      0.215282     -0.191757
      1.65136      0.37390      3.82912         0.109750      0.103920      0.136206
      1.33525      2.92456      4.05466         0.188649      0.144120      0.232585
      1.94561      3.00509      5.30960         0.033843     -0.099064     -0.102081
      2.07747      4.21431      5.97028         0.140313      0.013093      0.048235
      0.81580      4.14990      3.59857        -0.195536      0.033186     -0.147610
      0.91155      5.36776      4.31374        -0.095051     -0.045876      0.056506
      1.64073      5.48437      5.55461         0.082661      0.133892      0.297463
      2.01730      6.70723      6.44153        -0.053298     -0.104853     -0.159098
      2.48486      6.67573      7.81082         0.011504      0.172230     -0.235583
      2.90439      7.82335      8.50403         0.036791      0.061823     -0.003640
      2.02493      8.03392      5.94094        -0.050026      0.048299      0.213685
      2.47856      9.17960      6.62912         0.058196      0.092332     -0.165513
      2.96249      9.10764      7.95448        -0.030211     -0.156083     -0.136857
      2.77296      5.45261      8.63695        -0.286747     -0.109108      0.017742
      0.09991      6.46788      3.65783         0.050058     -0.137278      0.250869
      4.64298     14.07493      0.67848        -0.193652      0.127295     -0.150979
      4.06151     14.98006     -0.21385        -0.178156      0.090240     -0.045759
      4.08577     16.37523      0.02387        -0.045596     -0.153883     -0.057792
      5.28242     14.56269      1.81367        -0.057061      0.071256     -0.120607
      5.26404     15.93836      2.05998        -0.026794     -0.101718     -0.047108
      4.65283     16.90913      1.22171         0.116380      0.137917      0.050760
      4.44343     12.67521      0.19209         0.016224      0.160982     -0.079781
      3.44522     14.14780     19.92556         0.101031     -0.031143      0.104507
      4.69978     18.39058      1.67138         0.002109      0.057648      0.000544
      4.16919     19.53093      0.99359        -0.053153      0.189574     -0.004206
      4.33410     20.84438      1.51531        -0.114450      0.033879     -0.120487
      5.35335     18.69954      2.89538        -0.060230      0.172248      0.050595
      5.54569     19.99020      3.40305        -0.129698      0.046704      0.013218
      5.04053     21.08002      2.69352        -0.174188      0.016691     -0.212708
      5.12940      1.30065      2.94735         0.280698      0.210806      0.277164
      3.85394      0.94356      1.01208         0.005365      0.198493      0.022413
      4.05650      3.43786      1.89547        -0.198903     -0.236935     -0.186873
      3.15249      4.02419      0.98207        -0.052391     -0.064630     -0.115780
      2.92120      5.40964      0.91531        -0.115827      0.091301     -0.043671
      4.60294      4.38685      2.78170        -0.023878      0.088177      0.054663
      4.26575      5.77643      2.77068         0.005531     -0.119006     -0.049342
      3.43944      6.41612      1.77313         0.105873     -0.241015     -0.072923
      3.06042      7.93441      1.63709        -0.096438     -0.199019     -0.000123
      1.88895      8.50377      0.98842         0.281068      0.067450      0.230923
      1.56996      9.86728      1.11114        -0.382568     -0.326678     -0.065313
      3.80326      8.94942      2.29386        -0.080197      0.230606      0.326593
      3.38562     10.28199      2.54015         0.113501      0.083495     -0.103745
      2.24054     10.80642      1.90923         0.009541     -0.093175      0.128109
      0.87486      7.76570      0.11682         0.317809     -0.117124      0.011192
      4.90653      6.49309      3.93024         0.078483      0.138808     -0.067112
     18.03683     17.33860     13.74785        -0.006981      0.067217     -0.068794
     19.04443     17.81053     14.58517        -0.047480      0.033149     -0.028541
     19.29966     19.17815     14.73992        -0.056761      0.000740      0.059090
     17.32648     18.24377     12.95543         0.051896     -0.025192      0.047671
     17.62870     19.60537     13.05443         0.179550      0.006110      0.090049
     18.56423     20.12954     13.98299        -0.012341      0.056606      0.200948
     17.98625     15.84334     13.83796         0.142536      0.207809      0.157598
     19.73293     16.62627     15.18023         0.182219     -0.277406      0.337852
     18.68815      0.36523     14.19314        -0.011971      0.003742      0.046519
     19.61185      0.94727     15.10262        -0.025820      0.059462      0.054877
     19.59621      2.32786     15.34046        -0.055196     -0.091469     -0.019133
     17.80091      1.26081     13.53730         0.142189     -0.072479      0.089381
     17.80550      2.64416     13.75680        -0.016420     -0.044753     -0.027535
     18.71429      3.17640     14.67098        -0.014191     -0.159769     -0.028225
     18.93759      4.58324     15.11752        -0.029450     -0.100031      0.051384
     20.38844      3.16072     16.30309         0.028398      0.305404      0.091460
     20.58604      5.67829     16.73687         0.295911      0.097889      0.088229
      0.64981      5.67330     17.19319        -0.187447     -0.341095     -0.163481
      1.24379      6.82472     17.69146         0.023554      0.122422     -0.094543
     19.91257      6.88588     16.96832        -0.057288     -0.091372     -0.186465
     20.51407      8.04387     17.51365         0.226168      0.279328      0.174391
      0.67390      8.09897     17.85770        -0.192756     -0.030287      0.129922
      1.56498      9.25755     18.44462        -0.212937     -0.074511     -0.153089
      2.92593      9.21999     18.96180         0.024015      0.290264      0.042131
      3.55285     10.38825     19.49189         0.368342     -0.354442      0.004896
      1.03424     10.56582     18.54091        -0.347057     -0.007559      0.125356
      1.64261     11.68383     19.11888        -0.024542      0.234651     -0.159347
      2.94362     11.63046     19.62868        -0.138499      0.244720      0.082622
      4.01620      8.14506     18.91732         0.085198     -0.377896     -0.051337
     19.47791      9.12111     17.81838        -0.165580     -0.065355     -0.054354
      1.88683     18.24447     14.11538         0.002330     -0.015246      0.246765
      1.17496     19.16381     13.34864         0.074901     -0.002460      0.153622
      1.24312     20.53537     13.61065        -0.018908      0.062621     -0.000764
      2.72928     18.68973     15.13314         0.012526      0.077494      0.100263
      2.78830     20.06141     15.40626        -0.230292      0.027953     -0.026528
      2.03147     21.02722     14.69471        -0.081728      0.047013     -0.216341
      1.56800     16.86232     13.66590         0.103806      0.268183     -0.147978
      0.41920     18.38779     12.31470        -0.271146     -0.020978     -0.242594
      2.15961      1.23768     15.02223         0.045134      0.170529     -0.170215
      1.62883      2.25474     14.18916        -0.091391      0.173653     -0.110053
      1.88870      3.60521     14.45055        -0.074979     -0.203970     -0.073673
      2.89691      1.69481     16.14748        -0.147131     -0.059709     -0.149325
      3.25366      3.03580     16.34257        -0.002637      0.009754      0.055010
      2.77580      3.99817     15.44903        -0.021011     -0.151031     -0.047907
      3.03566      5.46004     15.28503         0.230483      0.348359      0.113775
      1.35473      4.82951     13.77587         0.544137      0.021500      0.696057
      1.55424      7.31963     14.29689         0.059450     -0.174867     -0.011278
      0.24758      7.61471     13.89626         0.053781     -0.071862      0.159668
     20.99633      8.89836     14.05465        -0.032674     -0.104863      0.032902
      2.31040      8.43005     14.70815         0.060125     -0.008912      0.075505
      1.79761      9.73920     14.84650        -0.158358     -0.029712     -0.069996
      0.40705     10.04670     14.52100        -0.084199      0.073072      0.006091
     20.87650     11.37711     14.57678         0.136543     -0.032669     -0.029275
     19.49280     11.65691     14.19581         0.147961      0.020467      0.146963
     18.95306     12.96004     14.29521        -0.055240      0.015960     -0.010197
      0.27400     12.54937     15.00746         0.023788      0.055003      0.072786
     -0.25905     13.83703     15.09261        -0.030823      0.076717     -0.089701
     19.68283     14.09720     14.69679        -0.170819      0.063564      0.066494
     18.43291     10.66021     13.71213        -0.082780     -0.143413      0.016171
      2.90750     10.69529     15.27963        -0.093540      0.121290     -0.008703
     16.23427      0.40918      5.23643         0.073971      0.060076     -0.004677
     16.90691      0.81171      6.38727        -0.035041      0.110503      0.097263
     16.89312      2.15773      6.80711         0.021639     -0.109546      0.018620
     15.53617      1.33625      4.48151         0.077432      0.038825      0.051904
     15.55941      2.67559      4.86928         0.071600     -0.055592      0.062630
     16.22607      3.14811      6.02355         0.005813     -0.023393      0.098872
     16.51360     20.23803      4.94364         0.082685      0.106417      0.068598
     17.62343     20.85617      6.92112         0.017584     -0.094530     -0.049887
     16.21399      4.64333      6.30256        -0.006031     -0.006663      0.041438
     16.88856      5.28317      7.37597        -0.006065      0.061461      0.058811
     16.84579      6.68346      7.50876        -0.036307     -0.090979      0.022049
     15.51162      5.51156      5.42126         0.135134      0.033317      0.121663
     15.53656      6.90413      5.51490         0.070795      0.016062      0.019200
     16.22374      7.49987      6.56734         0.058691     -0.113290      0.021469
     16.50243      8.93430      6.87737        -0.059098      0.174573     -0.069966
     17.42771      7.57605      8.56064         0.018910      0.092656      0.342078
     17.71714     10.10743      8.79579         0.041031      0.146691      0.082260
     18.75855     10.02222      9.71339        -0.044303     -0.245097      0.005115
     19.31883     11.15228     10.28340         0.109471     -0.012255      0.026491
     17.24509     11.41554      8.58540        -0.113701      0.068886     -0.107198
     17.82746     12.56612      9.17230        -0.008979     -0.017349      0.139599
     18.95490     12.48067     10.06967         0.091690      0.157085      0.120439
     19.76723     13.57990     10.78428        -0.196690      0.071873     -0.165849
     21.07004     13.48479     11.40458        -0.064015      0.119804      0.092369
      0.43851     14.62212     11.95721         0.105459     -0.033230      0.071668
     19.23931     14.88795     10.88268        -0.132791     -0.084129      0.047542
     19.88133     16.01252     11.40315        -0.086028      0.117556     -0.003986
     21.15130     15.90387     11.97726         0.044938      0.060805     -0.019805
      0.80300     12.32489     11.44937         0.029287     -0.003057     -0.145026
     17.05990     13.82343      8.83252        -0.094444      0.067309     -0.015222
     20.31596      1.40564      6.17056         0.060650      0.225176      0.081529
     19.73240      2.44936      5.44040        -0.038118     -0.036858      0.066965
     19.70436      3.75058      5.91327        -0.050798      0.089501      0.078007
     20.85741      1.66503      7.42651        -0.131394      0.133596      0.064145
     20.73839      2.95936      7.95483        -0.079315      0.166699     -0.061077
     20.18336      4.04449      7.21969        -0.043857     -0.003003     -0.137557
     20.23344      0.15676      5.36232         0.049717      0.048260      0.161415
     19.19256      1.88964      4.15878        -0.156815      0.263067     -0.150641
     20.21433      5.46601      7.70678         0.012430      0.066955      0.100677
     19.80537      6.51686      6.85502        -0.037281     -0.110732     -0.135141
     20.12338      7.83856      7.15343        -0.182651     -0.102830     -0.173282
     -0.53827      5.85449      8.97607        -0.060458     -0.003439     -0.081052
     -0.19164      7.18312      9.26280        -0.004367     -0.122377      0.119558
     20.82912      8.16552      8.29736        -0.155751     -0.055841      0.029785
     -0.11795      9.60798      8.23045         0.790858      0.837759      0.893838
     19.84231      9.08949      6.38723        -0.279485      0.090370     -0.469397
     20.36585     11.55874      6.73354        -0.035237      0.159994     -0.097543
     19.46237     11.99593      5.75322        -0.122278     -0.064914      0.028418
     19.21342     13.35110      5.56067        -0.070394     -0.115737      0.007066
     21.09555     12.59597      7.35241         0.135742     -0.022178      0.112644
     20.88744     13.97118      7.10766         0.008587      0.023629     -0.116030
     19.85592     14.42545      6.19949        -0.009711      0.279512     -0.076428
     19.35724     15.84995      5.92782         0.150984     -0.173361      0.061745
     18.57238     16.33537      4.81509         0.118922     -0.048188      0.062312
     18.04610     17.64259      4.80305         0.005908     -0.033085     -0.050175
     19.56965     16.84562      6.90622        -0.029962     -0.068975      0.024663
     18.98889     18.10703      6.92761        -0.088697      0.017227      0.070709
     18.15208     18.53377      5.89021         0.065977      0.039087      0.048237
     18.10535     15.50250      3.62275         0.119317     -0.030205     -0.040100
      0.64817     14.86906      7.80151         0.127502      0.117542     -0.000156
     12.74794      5.20581      4.02894        -0.101938      0.121340      0.072726
     13.27253      3.79776     20.52085         0.020105     -0.145422     -0.024223
     12.97056      6.14090     21.06352         0.137528      0.019457     -0.123981
     12.92175      7.36898      4.40771        -0.092778     -0.067547      0.018621
     13.19713      7.92593      0.12461         0.045350      0.019946     -0.175126
     13.57124     10.28955      0.40730         0.036217      0.206917      0.070086
     13.34134     13.37129      8.73115         0.040770      0.036371     -0.010391
     13.25887     11.53629      7.30110         0.017763     -0.018691     -0.130663
     14.36318     14.05855      4.00879        -0.074187      0.026183      0.060956
     12.89606     17.13549     11.48725        -0.134067      0.107661      0.068694
     15.19062     17.28687      7.21444         0.133525     -0.106676     -0.066865
     15.11814     19.23226      8.48002         0.065220      0.173210      0.095991
      9.68999      6.84018      3.12697         0.010342      0.106095      0.003423
     10.01889      3.55353      6.87374         0.057678     -0.090112     -0.045034
     10.13326      5.92880      7.35442         0.143344     -0.008568      0.056907
      9.99262      8.94077      3.67311         0.128653     -0.073318     -0.066724
      9.92070      7.70501      7.82739        -0.011316      0.018786      0.035771
     10.00558     10.01693      8.55038         0.090724      0.115667      0.000413
     12.05643     15.86121      2.35622         0.017436      0.190730      0.010760
     11.40575     13.72732      2.87823         0.000879     -0.091862     -0.017088
     10.21111     15.03440      6.77636         0.021893     -0.040297      0.027500
     13.41391     20.28611      1.22872        -0.153973     -0.042552     -0.002640
     11.59347     19.26440      5.59467         0.012216     -0.108305     -0.090619
     12.01924      0.18896      5.10671         0.022020      0.174891      0.017120
     10.39165      9.09577     17.43870        -0.003445      0.225785      0.190046
     10.53810      7.73783     12.64293        -0.005381     -0.055122     -0.088873
     10.35897     10.07626     13.20975         0.080728      0.109299     -0.086891
     10.53773     11.38097     17.82542        -0.041706     -0.114313      0.114821
     10.55929     11.86204     13.51817        -0.002139      0.032584     -0.065306
     10.79386     14.24176     13.73720        -0.000398      0.164662      0.057924
      9.37116     17.70371      0.32896        -0.069030      0.164562     -0.078065
      9.69358     15.83140     20.34749         0.033563     -0.233231     -0.054789
     11.77045     18.12994     17.40147         0.012630      0.011385     -0.058282
      8.73872      0.10915      3.19996         0.056055     -0.127737      0.023147
     11.05548      0.58194     20.20556        -0.054090      0.020064     -0.041371
     10.62883      2.49622      0.20852        -0.024117      0.068103      0.072522
      6.88326     10.62938     15.81120         0.125831      0.156224     -0.021532
      7.50816      7.35422     19.52533         0.109659     -0.091048     -0.031052
      7.57311      9.72619     20.01291         0.096789      0.011956      0.041653
      7.15147     12.81531     16.40494         0.031738     -0.049681     -0.102889
      7.34699     11.45105     20.52444         0.028926      0.048214     -0.004043
      7.40176     13.72694      0.04892        -0.005583      0.108581      0.006057
      9.28864     19.86722     15.71449         0.152311      0.177173      0.015176
      8.66419     17.68764     16.10543         0.082525     -0.070925     -0.105047
      6.43826     18.90216     19.53871         0.078011      0.002503      0.032356
     10.47024      2.97556     14.54423         0.024000     -0.219765     -0.242724
      8.16871      2.02061     18.71582         0.045993     -0.226299      0.090777
      9.02704      4.15839     18.36858        -0.028950     -0.004426     -0.057987
      6.78631     12.93913      8.85038         0.086565      0.055671      0.112156
      7.26554     11.48058      4.10018        -0.092742     -0.165057     -0.004697
      7.38861     13.82142      4.65159        -0.058182     -0.029510     -0.051465
      6.99409     15.19519      9.22460         0.091672     -0.140319      0.087072
      7.47569     15.62405      4.92965        -0.069015     -0.037404     -0.052176
      7.62419     18.01769      5.16330        -0.090646      0.079778     -0.003890
      6.75743      0.32248     13.06343        -0.191257      0.024924      0.066115
      6.83824     19.67666     11.80191        -0.028948     -0.207652     -0.041941
      8.67318      0.59172      8.62648         0.061613      0.071050     -0.128501
      6.20214      3.90802     15.84889        -0.020069      0.037864      0.121533
      8.44916      4.35067     11.54489        -0.049474     -0.006083     -0.043001
      8.17598      6.24707     12.87774        -0.003361      0.244072     -0.014518
      3.81803     14.37984      8.80458         0.135820      0.104165     -0.134787
      4.81509     11.39702     12.66502         0.008299     -0.105224     -0.150257
      4.78914     13.80062     12.98317         0.134524     -0.045228     -0.015737
      3.73574     16.48240      9.14059         0.127502     -0.049255      0.009477
      5.15297     15.66924     13.17784        -0.000015      0.024526     -0.003275
      5.09502     18.05154     13.69365         0.003601      0.045065     -0.045395
      5.65566      2.36992      7.54142         0.119595      0.009694      0.029535
      4.81658      0.31904      7.92608         0.091514     -0.207463      0.059645
      3.69229      1.55113     11.84149         0.142696     -0.042319      0.152835
      7.22470      6.44532      6.16374        -0.148271      0.115996      0.007938
      5.73891      5.86009     10.76355         0.053800     -0.206561      0.033271
      6.12304      7.98628     10.02173         0.033309      0.080555     -0.003382
      2.01643     16.28979      3.34024         0.055040      0.035298     -0.019913
     -0.01270     14.70265     20.31807        -0.149109     -0.094447     -0.071755
      0.19119     17.05070     20.72026        -0.086028      0.086312      0.024227
      1.68664     18.73445      3.71244         0.086123     -0.121242      0.022890
      0.17431     18.77101     20.89348        -0.074397     -0.082373     -0.078724
     -0.15012     -0.11011     20.99238         0.005729      0.029727      0.018038
      2.60073      4.10101      6.89514        -0.002741     -0.002654     -0.145056
      2.33608      2.13841      5.81975         0.109072     -0.316494     -0.052369
      0.24147      4.14388      2.67469         0.075727      0.059384      0.054185
      3.19452      7.73039      9.54317         0.072126     -0.090116     -0.034701
      1.68240      8.21790      4.92574         0.048259     -0.030835     -0.025739
      2.43924     10.12710      6.09463         0.067867      0.033802      0.054041
      3.67156     17.02391     20.51627        -0.187016      0.201554     -0.056382
      5.78109     13.89852      2.51799        -0.035260     -0.098172      0.032741
      5.77778     16.23851      2.96418         0.006324      0.133812      0.149156
      3.62678     19.42157      0.05668        -0.054563     -0.041659     -0.137587
      5.79495     17.90858      3.49269        -0.049259     -0.063696      0.042101
      6.09866     20.11350      4.33549        -0.052266      0.130854      0.014560
      2.23584      5.70213      0.13352         0.023011     -0.090549     -0.080958
      2.56069      3.41591      0.30715         0.107215     -0.164712     -0.188055
      5.28670      4.03662      3.55044        -0.047311      0.043606      0.059800
      0.69239     10.20882      0.57973        -0.050245     -0.046692      0.005793
      4.76758      8.71847      2.74536        -0.135695     -0.059401     -0.196333
      3.99623     10.88196      3.21938        -0.002500      0.054792     -0.223027
     20.06727     19.48857     15.44607         0.050302      0.038329      0.086650
     16.57284     17.92506     12.23808        -0.076820     -0.177752     -0.033243
     17.13977     20.28058     12.35548        -0.166720      0.002736      0.036082
     20.34740      0.33771     15.62144         0.027715     -0.094473      0.150069
     17.06976      0.85999     12.83581        -0.044547      0.082221      0.025617
     17.08829      3.27677     13.23071         0.055472      0.068545      0.018981
      2.24358      6.66431     18.02680         0.210666      0.078999     -0.202255
      1.25326      4.76675     17.15509        -0.165244      0.057800      0.105751
     18.86326      6.92495     16.70473        -0.103709      0.136150     -0.007672
      4.59229     10.30227     19.81895        -0.278027     -0.039493      0.000189
      0.02976     10.77147     18.17863         0.181503     -0.166500      0.007339
      1.05893     12.60056     19.13426         0.047842      0.090555      0.021854
      0.68672     21.19799     12.94951        -0.076080      0.174767      0.060062
      3.36073     18.00670     15.70869        -0.185200     -0.074125     -0.050918
      3.46024     20.38890     16.19724         0.049944      0.009545      0.017725
      1.04979      2.02907     13.29654        -0.167999     -0.137903     -0.043810
      3.24932      0.97255     16.88112         0.068624      0.008076      0.058977
      3.88385      3.29339     17.19799        -0.014906      0.079457     -0.110350
     19.95785      8.94328     13.78974        -0.035860      0.114762      0.067723
     20.83986      6.85766     13.49646        -0.015388     -0.114330      0.067640
      3.35911      8.28006     14.93784        -0.032523     -0.123999      0.090770
     17.90785     13.09381     14.03461         0.042641      0.026751     -0.098004
      1.31616     12.51908     15.28830        -0.044213     -0.136096     -0.013917
      0.41391     14.62024     15.42136        -0.039254      0.146430      0.053196
     17.44950      2.42792      7.70475        -0.010615      0.048979      0.079415
     15.00055      1.03244      3.58962         0.118711     -0.067320     -0.119295
     15.05035      3.37967      4.21781         0.035812     -0.019950      0.003365
     17.51706      4.72478      8.06868        -0.172891     -0.119228      0.158398
     14.93252      5.10289      4.60064         0.025179     -0.054007     -0.085033
     15.01965      7.50040      4.76660         0.117208      0.051204      0.017461
     20.13355     10.92695     10.93635        -0.012631      0.082390      0.109579
     19.19261      9.07252      9.99340        -0.150997     -0.176984      0.080512
     16.39048     11.55556      7.93099         0.057637      0.033136     -0.062590
      1.41544     14.50636     12.40945        -0.020077     -0.056720     -0.027412
     18.22648     15.07481     10.54899         0.048669     -0.060933      0.060540
     19.34755     16.95561     11.33995         0.074452      0.149964      0.074074
     19.33275      4.52225      5.23790        -0.115058     -0.012376      0.125054
      0.12109      0.88849      7.98341        -0.096805     -0.092689      0.091013
     -0.11430      3.14295      8.95000        -0.038042     -0.026870     -0.039496
     19.28835      6.30189      5.92565        -0.033241      0.040282      0.038466
     -0.35908      5.10356      9.75161        -0.011924      0.141600     -0.127459
      0.27350      7.40172     10.22785        -0.049562      0.144003     -0.086015
     18.39692     13.54160      4.88470        -0.007993      0.036887     -0.025353
     18.89999     11.30601      5.13652        -0.084282     -0.200133      0.109665
      0.62863     12.31317      8.03370        -0.024002      0.037871      0.070636
     17.44715     17.92582      3.94512        -0.030278      0.039514      0.008770
     20.17830     16.62951      7.77127        -0.084239     -0.097199     -0.005316
     19.18714     18.73359      7.78609        -0.002634      0.194263      0.116734
     13.87706     19.27254     10.70295         0.061797      0.097746      0.175569
     19.33592     21.13849      3.43760        -0.003751      0.162473      0.182120
     12.89141      1.22328      2.66321        -0.094379     -0.051782     -0.063455
     13.64824     11.50969      4.54724        -0.066943     -0.152107      0.215688
      9.57379      2.59836      2.77252        -0.004903      0.210442      0.041273
     10.44651     12.78748      5.29484         0.080626      0.055166     -0.217787
     10.20788      5.12073     15.99170        -0.074552     -0.129303      0.457571
     10.82889     15.61802     17.82118        -0.075674     -0.172923      0.197621
      7.06302      6.40405     15.41818         0.044156     -0.165133      0.106732
      7.25874     16.66163     18.20082         0.054884      0.047851     -0.212277
      6.77916      8.89031      7.50292        -0.085771     -0.065592      0.167415
      7.51627     19.41804      9.16851         0.167918     -0.050307      0.134518
      3.46823     10.19312      8.75869        -0.007576     -0.081367     -0.042792
      4.09522     20.53208     10.42083         0.007268      0.051863     -0.157491
      1.75396     12.18968      1.91022         0.017130      0.007512     -0.106504
      1.19871      1.68242      3.35510         0.035423     -0.249008     -0.079458
      3.58638     12.75593     20.30844        -0.131699     -0.030108     -0.173725
      4.31522      1.97216      1.97005        -0.073375      0.097669     -0.334974
     19.12827     15.44065     14.62243         0.177260     -0.086656      0.056815
     19.99418      4.53773     16.08117         0.006526     -0.031005      0.192907
      0.59833     16.98869     12.61790        -0.162389      0.116138     -0.109619
      2.03296      5.96064     14.37618        -0.256017     -0.061608     -0.190393
     17.46198     19.80006      5.92691         0.025841     -0.040036     -0.044606
     17.22124      8.94346      8.11549        -0.143968     -0.151290      0.132367
     19.53480      0.53213      4.20082        -0.023634     -0.310329     -0.272115
     20.50709     10.16827      7.07457        -0.168134     -0.238283     -0.206223
     12.41444      2.35327      4.69005         0.070632     -0.005698     -0.012082
     13.69806      0.98162      0.43604        -0.033469     -0.121741     -0.080025
     13.20875      9.73475      6.06796         0.107811      0.073388     -0.327341
     13.97727     12.57709      2.45123        -0.055152      0.045200      0.058047
      9.51103      4.43664      1.28245         0.049526      0.030357     -0.032298
      9.38922      1.45816      4.84881         0.215194      0.313080     -0.293119
     10.23384     11.80166      3.15200         0.087046     -0.028461      0.061386
     10.16800     12.95332      7.64537         0.044034      0.227046      0.196600
     10.13138      6.19433     18.10322         0.059294     -0.014743      0.205450
     10.87106      4.90105     13.71315         0.084481     -0.511138     -0.481624
     10.69471     13.88540     19.43495        -0.012152      0.039941     -0.237337
     11.07447     16.62423     15.69776        -0.070196      0.028449      0.010171
      6.90647      8.22358     13.92961         0.100800      0.106654     -0.033220
      6.77157      5.28132     17.49734         0.230379     -0.029644     -0.101630
      7.20960     15.78344     16.00284        -0.016689     -0.038243     -0.086647
      7.09041     16.68391     20.55791        -0.027788      0.343505      0.339738
      6.87631     10.03295      9.58261        -0.014150      0.074748     -0.148768
      7.07399      8.62882      5.16764        -0.041434      0.134718      0.320059
      7.54754     17.70328     10.81063        -0.079723      0.041042     -0.374895
      7.56338     20.41749      7.02811        -0.087758     -0.300045      0.259536
      3.21708     11.96092      7.22575         0.095609     -0.026043      0.060954
      3.84321      9.14374     10.88516        -0.005748     -0.093070     -0.192248
      3.84049     19.42805      8.33878        -0.114766      0.007500     -0.670963
      4.32150     20.77977     12.74920        -0.026522      0.077863      0.133081
      2.90166     13.25373      3.69228        -0.282104      0.111439     -0.275862
      0.04110     12.01255      0.24227         0.196368      0.182014      0.115994
      2.32298      0.18767      4.83098        -0.198549     -0.031715     -0.252200
      0.05172      2.39837      1.41185         0.213229     -0.188631      0.087716
      2.95773     14.50538     18.86839        -0.110807      0.201472      0.108335
      4.94568     11.65922      0.65197        -0.036678     -0.013622     -0.091189
      3.19357      1.18193      0.01466         0.132320     -0.074466      0.166981
      5.81929      1.84524      3.80142        -0.291652     -0.122142     -0.306382
     -0.62120     16.63336     16.00523        -0.071640      0.008883     -0.153995
     17.13137     15.10830     13.38447        -0.107765     -0.216730     -0.156644
     -0.07579      2.79888     17.15482        -0.077435     -0.099892     -0.097676
     18.33734      5.57937     14.74869         0.077716      0.123161      0.016935
     21.04563     18.80906     11.35745        -0.008377      0.005766      0.188824
      2.05828     15.82576     14.08003         0.000837     -0.232555      0.091148
      0.49250      4.88855     12.92685        -0.531316      0.088056     -0.466975
      3.95798      6.11795     15.75363        -0.502680     -0.165342     -0.057829
     18.22240     20.73756      7.97704        -0.049931      0.069067     -0.049351
     16.04950     19.56938      4.03312         0.088901      0.029857     -0.013511
     17.93696      7.24941      9.62374        -0.219202      0.023065     -0.292376
     16.22924      9.91970      6.20397         0.005036     -0.254482      0.238386
     18.56244      2.43506      3.25808         0.242546     -0.111569      0.345486
     20.65465     20.29101      5.60273        -0.009160      0.152722     -0.083091
     19.15645      9.19887      5.37659         0.233376     -0.001183      0.450152
      0.58686     10.23431      9.02413        -0.612225     -0.522928     -0.749784
     14.02563     17.40529      5.42312         0.051716      0.019374      0.143620
     15.98540     16.44281      5.71538        -0.191717     -0.029026     -0.080123
     14.83743     16.12114      3.88931        -0.119542     -0.063478      0.097895
     11.86007     15.32129     11.48415        -0.142737      0.005923      0.152616
     11.42649     14.48520      9.52787         0.093786      0.060200     -0.059133
     13.21136     13.83935     10.65415        -0.007311      0.043854      0.043495
     11.96998     17.95456      7.17577        -0.168328      0.071309     -0.129790
      9.98797     18.57150      6.43344         0.066891     -0.158748     -0.016886
     10.19699     16.84555      7.73053        -0.043256     -0.042949      0.134841
     13.36319     18.53204      0.13725         0.049217      0.061904      0.057263
     14.20894     17.11329      1.54903        -0.150352     -0.013085      0.105968
     12.14356     16.89065      0.82938         0.108026      0.212980     -0.017295
     11.12961      0.27492     18.31520         0.121388     -0.130043      0.080052
     13.00864     -0.52872     19.15032        -0.249567      0.001313      0.145778
     12.28144     20.08923     17.19801         0.062031      0.019380      0.163053
      8.39425     19.32061      3.38480        -0.101437      0.011761      0.070564
      7.68072     18.73292      1.38640         0.244848     -0.042591      0.108172
      9.56965     17.96159      2.21250         0.058957     -0.015641      0.059341
      7.58155      0.87112     20.29197         0.011694     -0.081779     -0.253669
      5.88212      1.03386     18.89868         0.141642      0.010665     -0.098774
      5.97635     20.69270     20.37481        -0.114321      0.056880     -0.058654
     10.25085      1.26800     13.36624         0.238787     -0.033035      0.197006
     11.22771     -0.09515     14.79465         0.008815      0.082023      0.032757
      9.23819     20.75540     14.00804        -0.162030     -0.002698      0.165307
      8.71193      3.96193      9.55813         0.021776     -0.158457      0.103201
     10.30394      2.99539     10.72771        -0.076846      0.060764      0.107192
      9.86327      2.33666      8.69964         0.051863     -0.093679      0.043337
      6.06185      1.90834     16.19245        -0.059427      0.077768      0.233116
      5.08036      1.24878     14.38691         0.050124     -0.034289     -0.122453
      7.07632      0.53320     14.88420        -0.217626     -0.089301      0.015264
      4.75889      5.09844     12.10534        -0.046464      0.049038     -0.099286
      2.88070      4.03910     11.72834        -0.057205      0.062130     -0.152545
      4.38886      3.20103     13.03272         0.072005      0.060898     -0.033650
      7.24655      4.45819      5.35978         0.149962      0.321642     -0.070908
      7.48911      2.95205      6.89604        -0.073339     -0.014230     -0.029724
      5.48660      3.46204      6.07360         0.071645      0.072674      0.109550
     -0.60248      7.25085      4.52126         0.187697     -0.044387     -0.043367
      0.89978      7.33976      2.98443        -0.055606      0.056359      0.174959
     -0.83429      5.97666      2.79647        -0.008424      0.067196      0.091660
      3.19604      5.73713      9.88897        -0.163856      0.174784      0.164136
      1.74870      4.54811      8.81587         0.189786      0.088148     -0.147217
      3.78916      4.75725      8.05452        -0.059659     -0.051485     -0.122179
      6.15280      6.94154      3.57041        -0.020691     -0.140917     -0.134807
      4.21255      7.55927      4.41818        -0.048943      0.044809     -0.026649
      5.06006      5.69889      5.02011        -0.110130     -0.056197     -0.124788
     -0.07741      8.57661     20.86078         0.044877      0.221231     -0.170749
      1.53556      7.18355     -0.95039        -0.226123     -0.011174      0.234919
      0.16762      6.76419      0.68748         0.178605     -0.384057      0.094968
     19.43825      9.41785     19.14425         0.068129      0.185976      0.162065
     19.66859     10.30972     17.15072        -0.006356     -0.074214     -0.060128
     18.20267      8.73797     17.49739         0.048655      0.063855     -0.019671
      4.86357      8.21996     20.00020        -0.089326      0.224022     -0.038948
      3.71856      6.81288     18.88970         0.099271      0.088845      0.138835
      4.77275      8.36853     17.79250        -0.341879     -0.010151      0.133874
      3.28408     11.51449     14.24712        -0.060701      0.150865      0.081103
      2.61781     11.52298     16.33320        -0.013175     -0.155670     -0.046956
      4.04958     10.05307     15.66562         0.041164      0.027633     -0.052248
     17.29089     11.26336     13.27530        -0.029479      0.073621      0.094011
     18.81779      9.87551     12.64249        -0.159313      0.206624      0.182912
     18.04104      9.79570     14.70180         0.115003      0.020821     -0.009534
     16.21429     14.17460      9.87313         0.239352      0.042120     -0.215166
     17.81143     14.93168      8.53991         0.032023     -0.141641      0.030415
     16.27638     13.65432      7.73609         0.071035      0.004106     -0.034453
      1.80190     12.53808     12.34599         0.213894      0.208291      0.110226
      0.38187     11.07128     11.79211        -0.043970     -0.034375      0.025262
      1.40066     12.22433     10.23073        -0.014669      0.038513      0.065380
      1.29411     15.70850      6.92842        -0.232271     -0.009407     -0.095546
      0.15367     15.67539      8.80940        -0.052782     -0.120855     -0.115088
      1.62717     14.16526      8.43088        -0.033667     -0.059899     -0.265593
     17.57616     16.24341      2.61359         0.152910      0.180254     -0.043657
     19.10290     14.75436      3.05181         0.099446      0.067312      0.037336
     17.09946     14.61614      3.96481         0.160468      0.026830     -0.100938
 -----------------------------------------------------------------------------------
    total drift:                                0.019002      0.024462     -0.008935


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4573.3682514747 eV

  energy  without entropy=    -4573.5188280000  energy(sigma->0) =    -4573.41844365
 
 d Force = 0.5925585E+00[ 0.264E+00, 0.921E+00]  d Energy = 0.5926677E+00-0.109E-03
 d Force = 0.8715282E+03[ 0.869E+03, 0.874E+03]  d Ewald  = 0.8715330E+03-0.479E-02


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.592668  1 .order   -0.592559   -0.921024   -0.264093
  (g-gl).g = 0.335E+01      g.g   = 0.334E+01  gl.gl    = 0.358E+01
 g(Force)  = 0.334E+01   g(Stress)= 0.000E+00 ortho     = 0.719E-02
 gamma     =   0.93525
 trial     =   0.27500
 opt step  =   0.38556  (harmonic =   0.38556) maximal distance =0.05915717
 next E    = -4573.421226   (d E  =  -0.64564)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   67(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.1017933E+00  (-0.7730238E+01)
 number of electron    2498.0000025 magnetization 
 augmentation part      162.6244831 magnetization 

  free energy =  -0.457326645231E+04  energy without entropy=  -0.457341715181E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   67(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3520
 total energy-change (2. order) :-0.1574489E+00  (-0.1934687E+00)
 number of electron    2498.0000025 magnetization 
 augmentation part      162.6393906 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8734
  0.8734

  free energy =  -0.457342390119E+04  energy without entropy=  -0.457357447399E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   67(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3712
 total energy-change (2. order) : 0.5250216E-02  (-0.4004831E-02)
 number of electron    2498.0000025 magnetization 
 augmentation part      162.6280381 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4318
  1.0782  1.7854

  free energy =  -0.457341865097E+04  energy without entropy=  -0.457356951922E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   67(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) :-0.1443733E-02  (-0.3423502E-02)
 number of electron    2498.0000025 magnetization 
 augmentation part      162.6183299 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2850
  2.2058  0.8246  0.8246

  free energy =  -0.457342009471E+04  energy without entropy=  -0.457357059154E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   67(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3648
 total energy-change (2. order) :-0.2033111E-03  (-0.6899214E-03)
 number of electron    2498.0000025 magnetization 
 augmentation part      162.6217318 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3155
  2.3799  0.9945  0.9945  0.8933

  free energy =  -0.457342029802E+04  energy without entropy=  -0.457357118430E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   67(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3528
 total energy-change (2. order) : 0.2847596E-03  (-0.3704018E-03)
 number of electron    2498.0000025 magnetization 
 augmentation part      162.6231214 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2425
  2.3915  1.0478  1.0478  0.8628  0.8628

  free energy =  -0.457342001326E+04  energy without entropy=  -0.457357062208E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   67(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) :-0.1644302E-04  (-0.7183255E-04)
 number of electron    2498.0000025 magnetization 
 augmentation part      162.6234242 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2238
  2.3798  0.9690  0.9690  1.2220  1.1777  0.6253

  free energy =  -0.457342002970E+04  energy without entropy=  -0.457357096866E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   67(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) : 0.1767013E-04  (-0.1045487E-04)
 number of electron    2498.0000025 magnetization 
 augmentation part      162.6242744 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2283
  2.4637  1.0628  1.0628  1.2796  1.2796  0.8658  0.5836

  free energy =  -0.457342001203E+04  energy without entropy=  -0.457357083190E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   67(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3288
 total energy-change (2. order) :-0.5598675E-05  (-0.7880901E-05)
 number of electron    2498.0000025 magnetization 
 augmentation part      162.6242744 magnetization 

  free energy =  -0.457342001763E+04  energy without entropy=  -0.457357085099E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0783       2 -56.1346       3 -56.0322       4 -55.8531       5 -55.8312
       6 -56.2954       7 -58.1679       8 -58.2425       9 -56.2581      10 -55.9425
      11 -56.0331      12 -55.7894      13 -55.8091      14 -56.0121      15 -58.0909
      16 -58.1015      17 -56.3591      18 -54.9770      19 -54.8465      20 -55.0858
      21 -55.6446      22 -55.5912      23 -55.5990      24 -55.5884      25 -54.9821
      26 -54.7043      27 -54.8915      28 -54.9223      29 -60.3653      30 -60.3539
      31 -55.6753      32 -55.8129      33 -55.7136      34 -55.3650      35 -55.4947
      36 -55.9909      37 -57.7775      38 -58.0108      39 -56.0720      40 -55.7743
      41 -55.8974      42 -55.6768      43 -55.7247      44 -55.8991      45 -58.0855
      46 -58.1349      47 -56.4520      48 -55.1232      49 -54.9242      50 -55.2762
      51 -55.8900      52 -55.8410      53 -55.7655      54 -55.7578      55 -55.0943
      56 -54.8543      57 -54.9980      58 -56.3790      59 -60.3534      60 -60.6049
      61 -55.9667      62 -56.0209      63 -55.8928      64 -55.7650      65 -55.7368
      66 -56.2191      67 -58.1305      68 -58.1533      69 -56.1962      70 -55.8698
      71 -55.9931      72 -55.6829      73 -55.6840      74 -55.9422      75 -58.0454
      76 -58.1042      77 -56.3962      78 -55.0792      79 -54.9082      80 -55.2086
      81 -55.8500      82 -55.8337      83 -55.8538      84 -55.8919      85 -55.2395
      86 -55.0041      87 -55.1792      88 -56.4077      89 -60.6692      90 -60.4272
      91 -55.7280      92 -55.8454      93 -55.7473      94 -55.5006      95 -55.5653
      96 -56.0787      97 -57.8853      98 -58.0058      99 -56.1837     100 -55.8926
     101 -56.0412     102 -55.7068     103 -55.7644     104 -55.9828     105 -58.1328
     106 -58.2061     107 -56.4412     108 -55.1450     109 -54.9760     110 -55.3965
     111 -55.9559     112 -55.8799     113 -55.7988     114 -55.8424     115 -55.0894
     116 -54.9309     117 -55.0455     118 -56.3443     119 -60.4463     120 -60.6121
     121 -55.9839     122 -56.0114     123 -55.8632     124 -55.7816     125 -55.7754
     126 -56.1942     127 -58.0652     128 -58.2004     129 -56.1525     130 -55.7914
     131 -55.9144     132 -55.6953     133 -55.6178     134 -55.8376     135 -57.8977
     136 -58.0533     137 -56.3778     138 -55.0235     139 -54.8396     140 -55.2659
     141 -55.8714     142 -55.7967     143 -55.8759     144 -55.8552     145 -55.1847
     146 -55.0654     147 -55.1988     148 -56.4099     149 -60.5029     150 -60.5653
     151 -55.6522     152 -55.6833     153 -55.5125     154 -55.3951     155 -55.4441
     156 -55.9023     157 -57.9662     158 -57.8738     159 -55.9993     160 -55.7381
     161 -55.8927     162 -55.5356     163 -55.5751     164 -55.7907     165 -57.9298
     166 -58.1390     167 -56.3877     168 -55.0295     169 -54.7948     170 -55.2423
     171 -55.8756     172 -55.8652     173 -55.8539     174 -55.7907     175 -55.3337
     176 -54.8989     177 -55.0600     178 -56.5075     179 -60.4558     180 -60.5967
     181 -55.9341     182 -56.1177     183 -55.9607     184 -55.6946     185 -55.7103
     186 -56.2700     187 -58.0452     188 -58.2203     189 -56.2856     190 -55.8877
     191 -56.0526     192 -55.7686     193 -55.7628     194 -55.9853     195 -58.0688
     196 -58.2133     197 -56.5103     198 -55.0593     199 -54.9146     200 -55.2679
     201 -55.8750     202 -55.8813     203 -55.9190     204 -55.9025     205 -55.1725
     206 -55.2252     207 -55.2079     208 -56.4888     209 -60.7423     210 -60.5091
     211 -55.9730     212 -56.0657     213 -55.9350     214 -55.7700     215 -55.7127
     216 -56.2476     217 -58.1298     218 -58.1827     219 -56.1214     220 -55.8025
     221 -55.9224     222 -55.5594     223 -55.4929     224 -55.8199     225 -57.9183
     226 -58.1295     227 -56.5138     228 -55.0823     229 -54.9644     230 -55.2627
     231 -55.7821     232 -55.8334     233 -55.8135     234 -55.7213     235 -54.9839
     236 -55.0820     237 -55.2108     238 -56.4524     239 -60.3795     240 -60.3676
     241 -55.9923     242 -56.0235     243 -55.8986     244 -55.7603     245 -55.7583
     246 -56.1957     247 -58.0829     248 -58.1344     249 -56.1834     250 -55.8667
     251 -55.9966     252 -55.7475     253 -55.7424     254 -55.9291     255 -57.9763
     256 -58.0811     257 -56.3096     258 -55.0082     259 -54.7596     260 -55.1792
     261 -55.7752     262 -55.7694     263 -55.9226     264 -55.9515     265 -55.3522
     266 -54.9862     267 -55.1828     268 -56.4067     269 -60.6071     270 -60.3473
     271 -55.8969     272 -55.9715     273 -55.8282     274 -55.7022     275 -55.6560
     276 -56.0939     277 -58.0913     278 -58.1340     279 -55.9550     280 -55.6499
     281 -55.7596     282 -55.5175     283 -55.5229     284 -55.8117     285 -58.0102
     286 -58.0273     287 -56.4093     288 -55.0503     289 -54.8894     290 -55.2235
     291 -55.8688     292 -55.8219     293 -55.8519     294 -55.8666     295 -55.2408
     296 -54.9543     297 -55.0635     298 -56.4530     299 -60.4797     300 -60.5849
     301 -55.8916     302 -56.0282     303 -55.9187     304 -55.6226     305 -55.6649
     306 -56.1661     307 -58.0607     308 -58.2403     309 -56.1919     310 -55.8624
     311 -55.9936     312 -55.7008     313 -55.6748     314 -55.9095     315 -57.9880
     316 -58.0888     317 -56.3692     318 -54.9612     319 -54.7392     320 -55.2372
     321 -55.7737     322 -55.6982     323 -55.8524     324 -55.8972     325 -55.2222
     326 -55.0549     327 -55.2230     328 -56.4396     329 -60.5695     330 -60.4150
     331 -55.7742     332 -55.8091     333 -55.6888     334 -55.6136     335 -55.5952
     336 -56.0439     337 -57.9746     338 -57.9519     339 -55.9359     340 -55.6110
     341 -55.7634     342 -55.5400     343 -55.5465     344 -55.7762     345 -57.9427
     346 -57.9775     347 -56.4795     348 -55.0200     349 -54.9278     350 -55.2721
     351 -55.8507     352 -55.7908     353 -55.7512     354 -55.7542     355 -55.2022
     356 -54.8827     357 -54.9841     358 -56.4218     359 -60.4609     360 -60.5510
     361 -39.1063     362 -38.8268     363 -39.0106     364 -39.0354     365 -39.0447
     366 -38.7649     367 -38.0814     368 -38.0093     369 -38.0134     370 -38.1506
     371 -38.1528     372 -38.2159     373 -38.7141     374 -38.3072     375 -38.7168
     376 -38.7945     377 -38.8428     378 -38.7630     379 -38.1390     380 -38.1278
     381 -38.2727     382 -38.0290     383 -38.2215     384 -38.0305     385 -38.8940
     386 -38.8104     387 -38.9398     388 -38.8703     389 -38.8730     390 -38.5770
     391 -38.2107     392 -38.2803     393 -38.1790     394 -38.1720     395 -38.2424
     396 -38.2911     397 -38.7455     398 -38.4491     399 -38.8025     400 -38.8783
     401 -38.8187     402 -38.7912     403 -38.2394     404 -38.1887     405 -38.4444
     406 -38.0916     407 -38.1455     408 -37.9829     409 -38.7744     410 -38.7886
     411 -39.0087     412 -38.7427     413 -38.9687     414 -38.6563     415 -38.2449
     416 -38.2446     417 -38.2024     418 -38.2139     419 -38.2834     420 -38.3399
     421 -38.5579     422 -38.3160     423 -38.5798     424 -38.6855     425 -38.5932
     426 -38.6077     427 -38.2204     428 -38.0674     429 -38.3694     430 -38.2592
     431 -38.1134     432 -37.9936     433 -38.7823     434 -38.7482     435 -38.9749
     436 -38.7212     437 -39.0152     438 -38.7087     439 -38.3893     440 -38.1622
     441 -38.1164     442 -38.1714     443 -38.2843     444 -38.0829     445 -38.9138
     446 -38.8507     447 -38.9864     448 -38.7547     449 -38.8292     450 -38.3663
     451 -38.0818     452 -38.0340     453 -38.1308     454 -37.9630     455 -38.1182
     456 -38.1395     457 -38.9353     458 -38.7438     459 -38.9302     460 -38.9257
     461 -38.9139     462 -38.7043     463 -38.1628     464 -38.1776     465 -38.2141
     466 -38.3461     467 -38.0495     468 -38.2946     469 -38.8651     470 -38.7107
     471 -38.7848     472 -38.7677     473 -38.6070     474 -38.4384     475 -38.2361
     476 -38.1048     477 -38.2115     478 -38.1698     479 -38.1754     480 -38.0226
     481 -38.8629     482 -38.7606     483 -38.9164     484 -38.8563     485 -38.9873
     486 -38.7738     487 -38.1339     488 -38.1596     489 -38.1940     490 -38.2933
     491 -38.2186     492 -38.3672     493 -38.7832     494 -38.5824     495 -38.6519
     496 -38.7202     497 -38.5054     498 -38.4815     499 -38.1772     500 -37.9677
     501 -38.1982     502 -38.1532     503 -38.1075     504 -38.0051     505 -38.2892
     506 -41.0902     507 -71.6792     508 -71.6291     509 -71.3794     510 -71.5747
     511 -71.5203     512 -71.5431     513 -71.3867     514 -71.5463     515 -71.5987
     516 -71.4861     517 -71.4538     518 -71.4225     519 -71.5693     520 -71.6712
     521 -71.5615     522 -71.4456     523 -71.5469     524 -71.4670     525 -71.5915
     526 -71.3865     527 -71.6249     528 -71.5315     529 -71.2726     530 -71.5548
     531 -76.9077     532 -76.8207     533 -76.7287     534 -76.7096     535 -76.6784
     536 -76.4084     537 -76.8290     538 -76.7545     539 -76.8117     540 -76.8402
     541 -76.7377     542 -76.6501     543 -76.6588     544 -76.5798     545 -76.8983
     546 -76.8193     547 -76.8525     548 -76.6963     549 -76.6812     550 -76.4979
     551 -76.5051     552 -76.6564     553 -76.9181     554 -76.6355     555 -76.7778
     556 -76.7526     557 -76.8473     558 -76.6902     559 -76.8004     560 -76.8174
     561 -76.7786     562 -76.4936     563 -76.7723     564 -76.7344     565 -76.7501
     566 -76.6032     567 -76.7554     568 -76.7718     569 -76.8416     570 -76.6221
     571 -76.8895     572 -76.7334     573 -76.7251     574 -76.6126     575 -76.5403
     576 -76.5990     577 -76.6386     578 -76.4825     579 -82.3485     580 -82.2372
     581 -82.2680     582 -82.3649     583 -82.2549     584 -82.2158     585 -82.4063
     586 -82.5031     587 -82.5673     588 -82.2223     589 -82.0920     590 -82.2553
     591 -82.3825     592 -82.2099     593 -82.2366     594 -82.7355     595 -82.4542
     596 -82.6331     597 -82.4405     598 -82.4511     599 -82.6063     600 -82.2259
     601 -82.1340     602 -82.3542     603 -82.5092     604 -82.3730     605 -82.5362
     606 -82.4480     607 -82.3557     608 -82.3888     609 -82.7701     610 -82.3452
     611 -82.3377     612 -82.4940     613 -82.2849     614 -82.2027     615 -82.5404
     616 -82.4894     617 -82.4033     618 -82.7316     619 -82.6614     620 -82.7464
     621 -82.1480     622 -82.3644     623 -82.3741     624 -82.3302     625 -82.2546
     626 -82.3053     627 -82.2022     628 -82.2900     629 -82.2205     630 -82.4255
     631 -82.5466     632 -82.3604     633 -82.4743     634 -82.4806     635 -82.5154
     636 -82.3743     637 -82.3398     638 -82.2498     639 -82.1629     640 -82.3879
     641 -82.3833     642 -82.4386     643 -82.5350     644 -82.3714     645 -82.3907
     646 -82.4100     647 -82.5060     648 -82.3834     649 -82.3414     650 -82.2704
 
 
 
 E-fermi :  -1.4733     XC(G=0):  -6.5109     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
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      2     -28.9453      2.00000
      3     -28.9167      2.00000
      4     -28.9124      2.00000
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     11     -28.7670      2.00000
     12     -28.7552      2.00000
     13     -28.7495      2.00000
     14     -28.7410      2.00000
     15     -28.6714      2.00000
     16     -28.6629      2.00000
     17     -28.6234      2.00000
     18     -28.6165      2.00000
     19     -28.6065      2.00000
     20     -28.5783      2.00000
     21     -28.5671      2.00000
     22     -28.5613      2.00000
     23     -28.5538      2.00000
     24     -28.5071      2.00000
     25     -26.8901      2.00000
     26     -26.7232      2.00000
     27     -26.7032      2.00000
     28     -26.6921      2.00000
     29     -26.6061      2.00000
     30     -26.5842      2.00000
     31     -26.5663      2.00000
     32     -26.5540      2.00000
     33     -26.5539      2.00000
     34     -26.5454      2.00000
     35     -26.5418      2.00000
     36     -26.5133      2.00000
     37     -26.5102      2.00000
     38     -26.5055      2.00000
     39     -26.4885      2.00000
     40     -26.4811      2.00000
     41     -26.4774      2.00000
     42     -26.4766      2.00000
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     46     -26.4448      2.00000
     47     -26.4433      2.00000
     48     -26.4168      2.00000
     49     -26.4031      2.00000
     50     -26.4028      2.00000
     51     -26.3973      2.00000
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     54     -26.3549      2.00000
     55     -26.3429      2.00000
     56     -26.3382      2.00000
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     59     -26.3159      2.00000
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     63     -26.2782      2.00000
     64     -26.2763      2.00000
     65     -26.2530      2.00000
     66     -26.2440      2.00000
     67     -26.2381      2.00000
     68     -26.2381      2.00000
     69     -26.2282      2.00000
     70     -26.2260      2.00000
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     72     -26.1668      2.00000
     73     -23.2958      2.00000
     74     -23.2488      2.00000
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     76     -23.2037      2.00000
     77     -23.1688      2.00000
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     84     -23.0753      2.00000
     85     -23.0426      2.00000
     86     -23.0297      2.00000
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     89     -23.0044      2.00000
     90     -22.9502      2.00000
     91     -22.9380      2.00000
     92     -22.9208      2.00000
     93     -22.9189      2.00000
     94     -22.9025      2.00000
     95     -22.9024      2.00000
     96     -22.9021      2.00000
     97     -22.8435      2.00000
     98     -22.8305      2.00000
     99     -22.8043      2.00000
    100     -22.7619      2.00000
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    110     -22.5732      2.00000
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    120     -22.3832      2.00000
    121     -20.4687      2.00000
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    125     -20.3538      2.00000
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    128     -20.3015      2.00000
    129     -20.3008      2.00000
    130     -20.2948      2.00000
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    140     -20.1691      2.00000
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    144     -19.9209      2.00000
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    150     -18.4858      2.00000
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    186     -17.5250      2.00000
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   1509       5.6490      0.00000
   1510       5.6550      0.00000
   1511       5.6583      0.00000
   1512       5.6687      0.00000
   1513       5.6730      0.00000
   1514       5.6911      0.00000
   1515       5.7090      0.00000
   1516       5.7195      0.00000
   1517       5.7251      0.00000
   1518       5.7323      0.00000
   1519       5.7398      0.00000
   1520       5.7551      0.00000
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   1523       5.7856      0.00000
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   1527       5.8158      0.00000
   1528       5.8301      0.00000
   1529       5.8517      0.00000
   1530       5.8546      0.00000
   1531       5.8713      0.00000
   1532       5.8735      0.00000
   1533       5.8872      0.00000
   1534       5.8965      0.00000
   1535       5.9024      0.00000
   1536       5.9118      0.00000
   1537       5.9161      0.00000
   1538       5.9208      0.00000
   1539       5.9304      0.00000
   1540       5.9395      0.00000
   1541       5.9580      0.00000
   1542       5.9718      0.00000
   1543       5.9759      0.00000
   1544       5.9826      0.00000
   1545       5.9920      0.00000
   1546       6.0126      0.00000
   1547       6.0154      0.00000
   1548       6.0215      0.00000
   1549       6.0313      0.00000
   1550       6.0425      0.00000
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   1553       6.0586      0.00000
   1554       6.0654      0.00000
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   1556       6.0868      0.00000
   1557       6.0939      0.00000
   1558       6.1022      0.00000
   1559       6.1197      0.00000
   1560       6.1307      0.00000
   1561       6.1416      0.00000
   1562       6.1431      0.00000
   1563       6.1610      0.00000
   1564       6.1675      0.00000
   1565       6.1730      0.00000
   1566       6.1747      0.00000
   1567       6.1862      0.00000
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   1569       6.2033      0.00000
   1570       6.2110      0.00000
   1571       6.2240      0.00000
   1572       6.2304      0.00000
   1573       6.2364      0.00000
   1574       6.2406      0.00000
   1575       6.2427      0.00000
   1576       6.2700      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.090  13.415  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.415  17.835  -0.001   0.002  -0.000   0.002  -0.006   0.000
 -0.001  -0.001  -4.235   0.003   0.001   8.284  -0.004  -0.001
  0.001   0.002   0.003  -4.235   0.001  -0.004   8.283  -0.001
 -0.000  -0.000   0.001   0.001  -4.228  -0.001  -0.001   8.274
  0.002   0.002   8.284  -0.004  -0.001 -18.332   0.007   0.002
 -0.004  -0.006  -0.004   8.283  -0.001   0.007 -18.328  -0.000
  0.000   0.000  -0.001  -0.001   8.274   0.002  -0.000 -18.322
 total augmentation occupancy for first ion, spin component:           1
  8.433  -3.795   0.174   0.152  -0.043   0.022   0.028  -0.007
 -3.795   1.780  -0.091  -0.102   0.025  -0.009  -0.017   0.004
  0.174  -0.091   1.780  -0.060  -0.040   0.169  -0.012  -0.007
  0.152  -0.102  -0.060   1.893  -0.090  -0.012   0.176  -0.012
 -0.043   0.025  -0.040  -0.090   1.225  -0.008  -0.012   0.081
  0.022  -0.009   0.169  -0.012  -0.008   0.018  -0.002  -0.001
  0.028  -0.017  -0.012   0.176  -0.012  -0.002   0.018  -0.002
 -0.007   0.004  -0.007  -0.012   0.081  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -50238.04708 90145.99636 22564.05841-10455.85301  6385.05106 19463.24592
  Hartree  5417.12230117148.15220 60429.10931-10897.18544  4353.86325 13725.53021
  E(xc)  -10734.79683-10588.24665-10629.42331     2.85638     8.12487    33.23871
  Local   11392.04942************************ 21349.97804-10757.56229-32591.24336
  n-local -5844.22730 -5980.53678 -6034.81076     4.33036    16.72742   -64.26737
  augment  1492.81218  1535.85942  1486.45026     4.77550    12.46176    -3.41571
  Kinetic 45490.31419 43270.49828 43643.50291   -28.39439   -68.23310  -574.90171
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -116.9143956   -391.8239757   -158.2913140    -19.4925689    -49.5670260    -11.8132971
  in kB      -19.4964113    -65.3397843    -26.3963436     -3.2505419     -8.2656983     -1.9699619
  external PRESSURE =     -37.0775131 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.229E+03 -.109E+03 0.248E+03   0.229E+03 0.109E+03 -.250E+03   -.112E+00 -.396E+00 0.149E+01   0.494E-03 0.107E-02 0.500E-03
   -.188E+03 -.135E+03 0.619E+02   0.188E+03 0.137E+03 -.616E+02   0.223E+00 -.115E+01 -.284E+00   0.670E-03 0.111E-02 0.140E-03
   -.157E+03 -.125E+03 0.619E+01   0.157E+03 0.126E+03 -.459E+01   0.348E+00 -.128E+01 -.152E+01   0.852E-03 0.778E-03 0.104E-04
   -.216E+03 -.941E+02 0.334E+03   0.216E+03 0.940E+02 -.337E+03   -.329E+00 0.131E+00 0.243E+01   0.877E-03 0.108E-02 0.810E-03
   -.163E+03 -.145E+03 0.299E+03   0.163E+03 0.145E+03 -.300E+03   0.668E-01 -.754E+00 0.112E+01   0.110E-02 0.798E-03 0.709E-03
   -.141E+03 -.111E+03 0.167E+03   0.141E+03 0.111E+03 -.167E+03   0.212E+00 -.202E+00 0.167E+00   0.899E-03 0.544E-03 0.210E-03
   -.228E+03 -.128E+03 0.178E+03   0.228E+03 0.132E+03 -.178E+03   0.740E+00 -.433E+01 0.941E+00   0.546E-04 0.143E-02 0.785E-03
   -.181E+03 -.107E+03 0.328E+02   0.182E+03 0.111E+03 -.349E+02   -.445E+00 -.414E+01 0.204E+01   0.576E-03 0.121E-02 -.796E-04
   -.101E+03 0.557E+01 0.194E+03   0.101E+03 -.561E+01 -.194E+03   0.980E-01 -.722E-01 0.165E+00   0.877E-03 0.123E-03 -.217E-04
   -.797E+02 0.873E+02 0.618E+02   0.791E+02 -.889E+02 -.605E+02   0.552E+00 0.150E+01 -.109E+01   0.920E-03 -.471E-03 -.661E-03
   -.891E+02 0.104E+03 0.134E+03   0.889E+02 -.106E+03 -.135E+03   0.939E-01 0.110E+01 0.145E+00   0.709E-03 -.838E-03 -.745E-03
   -.103E+03 -.343E+01 0.330E+03   0.103E+03 0.327E+01 -.331E+03   -.169E+00 0.252E+00 0.128E+01   0.764E-03 -.160E-03 -.746E-04
   -.107E+03 -.456E+02 0.357E+03   0.108E+03 0.466E+02 -.359E+03   -.934E-01 -.108E+01 0.218E+01   0.643E-03 -.896E-03 -.300E-03
   -.111E+03 0.191E+02 0.303E+03   0.111E+03 -.190E+02 -.305E+03   -.226E+00 -.123E+00 0.152E+01   0.607E-03 -.103E-02 -.352E-03
   -.989E+02 0.104E+03 0.266E+03   0.984E+02 -.108E+03 -.269E+03   0.724E+00 0.381E+01 0.228E+01   0.372E-03 -.207E-02 -.366E-03
   -.844E+02 0.116E+03 0.100E+03   0.843E+02 -.119E+03 -.103E+03   0.824E-01 0.309E+01 0.356E+01   0.505E-03 -.115E-02 -.126E-02
   -.696E+02 0.108E+03 0.511E+02   0.700E+02 -.104E+03 -.466E+02   -.576E+00 -.455E+01 -.411E+01   0.680E-04 -.122E-02 -.783E-03
   -.284E+01 0.205E+03 -.148E+03   0.228E+01 -.207E+03 0.150E+03   0.458E+00 0.156E+01 -.202E+01   0.192E-05 -.569E-03 -.848E-03
   0.322E+02 0.151E+03 -.197E+03   -.325E+02 -.152E+03 0.199E+03   0.146E+00 0.922E-01 -.192E+01   0.137E-03 -.212E-03 -.509E-03
   -.652E+02 0.106E+03 0.179E+03   0.663E+02 -.105E+03 -.182E+03   -.945E+00 -.957E+00 0.303E+01   -.668E-05 -.944E-03 -.871E-05
   0.217E+01 0.671E+02 0.293E+01   -.330E+01 -.686E+02 -.172E+01   0.117E+01 0.149E+01 -.128E+01   0.186E-03 -.234E-03 0.609E-04
   0.119E+02 0.964E+01 -.127E+03   -.119E+02 -.972E+01 0.128E+03   0.516E-01 0.103E+00 -.737E+00   0.122E-03 -.128E-03 -.307E-03
   -.268E+02 -.334E+02 -.173E+03   0.271E+02 0.335E+02 0.173E+03   -.337E+00 -.254E+00 0.433E+00   0.381E-03 -.393E-03 -.288E-03
   -.365E+02 -.751E+02 -.231E+03   0.376E+02 0.768E+02 0.230E+03   -.117E+01 -.182E+01 0.924E+00   0.484E-03 -.503E-03 -.377E-03
   -.188E+02 -.159E+03 -.338E+03   0.182E+02 0.159E+03 0.339E+03   0.503E+00 -.789E+00 -.187E+01   0.118E-02 -.697E-03 -.574E-03
   -.104E+03 -.161E+03 -.157E+03   0.105E+03 0.162E+03 0.155E+03   -.113E+01 -.103E+00 0.156E+01   0.882E-03 -.349E-03 -.613E-04
   -.903E+02 -.280E+03 -.188E+03   0.906E+02 0.281E+03 0.188E+03   -.152E+00 -.932E+00 0.316E+00   0.126E-02 -.142E-04 0.591E-04
   -.392E+02 -.264E+03 -.289E+03   0.391E+02 0.265E+03 0.289E+03   0.246E-01 -.138E+01 -.526E+00   0.162E-02 -.155E-03 -.331E-03
   -.458E+02 -.232E+02 -.216E+03   0.518E+02 0.309E+02 0.211E+03   -.597E+01 -.783E+01 0.503E+01   0.772E-04 -.842E-03 -.124E-03
   -.301E+01 0.522E+02 0.221E+02   -.167E+01 -.609E+02 -.173E+02   0.481E+01 0.865E+01 -.479E+01   0.773E-03 -.337E-03 0.136E-02
   -.199E+03 -.259E+02 -.448E+02   0.199E+03 0.260E+02 0.465E+02   -.308E+00 -.157E+00 -.160E+01   0.827E-03 0.326E-03 -.224E-03
   -.132E+03 -.147E+03 0.137E+03   0.132E+03 0.148E+03 -.137E+03   0.105E+00 -.132E+01 -.296E+00   0.644E-03 0.765E-03 -.103E-03
   -.143E+03 -.157E+03 0.187E+03   0.143E+03 0.159E+03 -.188E+03   0.174E+00 -.170E+01 0.976E+00   0.393E-03 0.658E-03 -.481E-03
   -.296E+03 0.991E+01 -.168E+03   0.296E+03 -.116E+02 0.171E+03   0.672E-01 0.169E+01 -.259E+01   0.124E-02 0.720E-03 -.145E-04
   -.289E+03 -.639E+02 -.186E+03   0.289E+03 0.640E+02 0.187E+03   -.638E-01 -.110E-01 -.123E+01   0.135E-02 0.244E-03 0.784E-04
   -.209E+03 -.729E+02 0.540E+01   0.208E+03 0.728E+02 -.544E+01   0.304E+00 0.122E+00 -.120E+00   0.679E-03 0.100E-03 -.376E-03
   -.114E+03 -.486E+02 -.105E+02   0.115E+03 0.519E+02 0.134E+02   -.102E+01 -.405E+01 -.258E+01   0.591E-03 0.641E-03 -.411E-03
   -.731E+02 -.138E+03 0.112E+03   0.733E+02 0.141E+03 -.109E+03   -.265E+00 -.318E+01 -.376E+01   0.475E-03 0.648E-03 0.623E-04
   -.185E+03 0.482E+02 0.198E+01   0.185E+03 -.484E+02 -.205E+01   0.609E-01 0.331E+00 0.944E-02   0.269E-03 -.271E-03 -.559E-03
   -.103E+03 0.554E+02 0.205E+03   0.103E+03 -.566E+02 -.207E+03   0.204E+00 0.114E+01 0.172E+01   -.131E-03 -.265E-03 -.116E-02
   -.741E+02 0.760E+02 0.116E+03   0.741E+02 -.774E+02 -.116E+03   0.489E-01 0.146E+01 0.137E+00   -.473E-03 -.632E-03 -.903E-03
   -.217E+03 0.897E+02 -.221E+03   0.217E+03 -.905E+02 0.222E+03   0.536E-01 0.819E+00 -.873E+00   0.285E-03 -.597E-03 -.167E-03
   -.182E+03 0.458E+02 -.295E+03   0.181E+03 -.460E+02 0.297E+03   0.358E-02 -.205E-02 -.223E+01   -.256E-03 -.618E-03 -.142E-03
   -.112E+03 0.575E+02 -.151E+03   0.112E+03 -.583E+02 0.152E+03   -.250E+00 0.653E+00 -.136E+01   -.630E-03 -.233E-03 -.587E-03
   -.627E+02 0.100E+03 -.862E+02   0.627E+02 -.105E+03 0.866E+02   -.627E-01 0.462E+01 -.575E+00   -.100E-02 -.265E-03 -.616E-03
   -.285E+02 0.820E+02 0.135E+03   0.281E+02 -.864E+02 -.133E+03   0.225E+00 0.447E+01 -.199E+01   -.737E-03 -.868E-03 -.524E-03
   0.213E+02 0.513E+02 0.102E+03   -.197E+02 -.458E+02 -.104E+03   -.164E+01 -.547E+01 0.191E+01   -.108E-02 -.751E-03 0.277E-03
   -.156E+02 0.134E+03 0.268E+03   0.166E+02 -.135E+03 -.270E+03   -.997E+00 0.102E+01 0.238E+01   -.755E-03 -.704E-03 0.917E-03
   -.382E+02 0.122E+03 0.231E+03   0.392E+02 -.121E+03 -.233E+03   -.879E+00 -.640E+00 0.217E+01   -.769E-03 0.252E-04 0.110E-02
   0.500E+02 0.716E+02 -.405E+02   -.512E+02 -.718E+02 0.435E+02   0.124E+01 0.196E+00 -.284E+01   -.144E-02 -.233E-03 -.516E-05
   0.975E+01 0.266E+02 0.366E+02   -.932E+01 -.276E+02 -.388E+02   -.417E+00 0.111E+01 0.211E+01   -.127E-02 0.150E-03 -.328E-04
   -.187E+02 0.119E+02 0.893E+02   0.193E+02 -.115E+02 -.902E+02   -.454E+00 -.207E+00 0.839E+00   -.798E-03 0.298E-03 0.483E-03
   -.759E+02 0.138E+01 0.395E+02   0.758E+02 -.158E+01 -.389E+02   0.259E-01 0.840E-01 -.589E+00   -.560E-03 0.397E-03 0.412E-03
   -.148E+03 -.128E+02 0.886E+02   0.147E+03 0.136E+02 -.869E+02   0.892E+00 -.883E+00 -.164E+01   -.279E-03 0.711E-03 0.712E-03
   -.236E+03 -.701E+02 0.156E+03   0.238E+03 0.703E+02 -.160E+03   -.138E+01 -.557E-01 0.298E+01   -.169E-03 0.997E-03 0.459E-03
   -.796E+02 -.107E+03 -.114E+03   0.791E+02 0.106E+03 0.116E+03   0.470E+00 0.575E+00 -.176E+01   -.484E-03 0.116E-03 -.514E-03
   -.109E+03 -.119E+03 -.160E+03   0.108E+03 0.120E+03 0.163E+03   0.678E+00 -.105E+01 -.281E+01   -.163E-04 0.678E-03 -.514E-03
   -.172E+03 -.501E+02 0.228E+02   0.171E+03 0.440E+02 -.207E+02   0.134E+01 0.595E+01 -.201E+01   0.706E-04 0.136E-02 -.331E-04
   -.181E+03 0.185E+02 0.131E+03   0.178E+03 -.129E+02 -.123E+03   0.339E+01 -.591E+01 -.841E+01   0.498E-03 0.766E-03 0.885E-03
   -.455E+02 -.617E+01 -.338E+02   0.471E+02 -.852E-02 0.249E+02   -.148E+01 0.631E+01 0.909E+01   -.196E-02 0.380E-03 -.134E-02
   -.346E+03 -.763E+02 0.843E+02   0.346E+03 0.770E+02 -.857E+02   0.126E+00 -.365E+00 0.134E+01   0.837E-03 0.583E-03 -.286E-03
   -.349E+03 -.103E+03 -.846E+02   0.349E+03 0.105E+03 0.851E+02   0.135E+00 -.129E+01 -.409E+00   0.711E-03 0.152E-03 -.418E-03
   -.321E+03 -.923E+02 -.134E+03   0.321E+03 0.932E+02 0.136E+03   -.372E-01 -.143E+01 -.151E+01   0.763E-03 0.361E-03 -.521E-03
   -.296E+03 -.619E+02 0.169E+03   0.296E+03 0.618E+02 -.172E+03   -.292E+00 -.200E+00 0.228E+01   0.841E-03 -.264E-06 0.917E-04
   -.243E+03 -.111E+03 0.129E+03   0.243E+03 0.112E+03 -.130E+03   0.115E+00 -.794E+00 0.936E+00   0.583E-03 -.133E-03 0.151E-03
   -.264E+03 -.809E+02 -.193E+01   0.264E+03 0.813E+02 0.190E+01   0.103E+00 -.119E+00 -.576E-01   0.499E-03 -.334E-03 -.836E-04
   -.361E+03 -.105E+03 0.854E+01   0.360E+03 0.109E+03 -.857E+01   0.405E+00 -.428E+01 0.708E+00   0.929E-03 0.106E-02 -.152E-03
   -.357E+03 -.945E+02 -.522E+02   0.357E+03 0.986E+02 0.501E+02   -.618E+00 -.412E+01 0.203E+01   0.745E-03 0.905E-03 -.161E-02
   -.221E+03 0.426E+02 0.172E+02   0.221E+03 -.427E+02 -.172E+02   0.297E-01 0.331E-01 0.226E-01   0.355E-03 -.653E-03 -.154E-03
   -.248E+03 0.116E+03 -.793E+02   0.247E+03 -.117E+03 0.806E+02   0.166E+00 0.157E+01 -.115E+01   0.561E-03 -.897E-03 -.414E-03
   -.243E+03 0.127E+03 -.286E+01   0.243E+03 -.128E+03 0.263E+01   0.987E-01 0.128E+01 0.210E+00   0.177E-03 -.112E-02 -.423E-03
   -.166E+03 0.388E+02 0.128E+03   0.166E+03 -.391E+02 -.130E+03   -.737E-01 0.289E+00 0.119E+01   0.145E-04 -.119E-02 0.125E-03
   -.160E+03 -.150E+02 0.136E+03   0.160E+03 0.160E+02 -.139E+03   -.805E-01 -.110E+01 0.248E+01   -.758E-04 -.181E-02 0.438E-03
   -.214E+03 0.314E+02 0.121E+03   0.214E+03 -.316E+02 -.122E+03   -.996E-01 0.860E-01 0.158E+01   0.253E-04 -.166E-02 0.298E-03
   -.229E+03 0.970E+02 0.112E+03   0.229E+03 -.101E+03 -.115E+03   0.503E+00 0.402E+01 0.222E+01   -.147E-03 -.275E-02 0.847E-03
   -.261E+03 0.143E+03 0.654E+02   0.261E+03 -.146E+03 -.684E+02   0.996E-01 0.328E+01 0.351E+01   -.177E-03 -.117E-02 -.145E-02
   -.252E+03 0.109E+03 0.947E+02   0.251E+03 -.105E+03 -.908E+02   0.507E+00 -.468E+01 -.390E+01   -.492E-03 -.131E-02 -.523E-03
   -.140E+03 0.200E+03 0.212E+02   0.138E+03 -.201E+03 -.197E+02   0.974E+00 0.137E+01 -.157E+01   -.113E-02 -.121E-03 -.653E-03
   -.770E+02 0.115E+03 0.463E+02   0.760E+02 -.115E+03 -.446E+02   0.102E+01 0.577E-02 -.185E+01   -.123E-02 0.620E-03 0.109E-03
   -.301E+03 0.937E+02 0.184E+03   0.303E+03 -.931E+02 -.186E+03   -.159E+01 -.665E+00 0.228E+01   -.248E-03 -.107E-02 0.832E-03
   -.212E+03 0.443E+02 0.103E+03   0.211E+03 -.456E+02 -.102E+03   0.108E+01 0.129E+01 -.107E+01   -.572E-03 -.132E-03 0.111E-02
   -.139E+03 -.736E+01 0.897E+02   0.138E+03 0.724E+01 -.891E+02   0.310E+00 0.540E-01 -.410E+00   -.107E-02 0.600E-03 0.759E-03
   -.127E+03 -.423E+01 0.119E+03   0.127E+03 0.422E+01 -.120E+03   -.393E+00 -.995E-01 0.607E+00   -.104E-02 0.622E-03 0.653E-03
   -.823E+02 -.400E+02 0.701E+02   0.837E+02 0.417E+02 -.713E+02   -.148E+01 -.161E+01 0.105E+01   -.112E-02 0.380E-03 0.813E-05
   -.372E+01 -.564E+02 -.216E+02   0.197E+01 0.559E+02 0.242E+02   0.175E+01 0.579E+00 -.272E+01   -.669E-03 0.163E-03 -.329E-03
   -.184E+03 -.127E+03 0.170E+03   0.184E+03 0.127E+03 -.172E+03   -.638E+00 -.797E-01 0.197E+01   -.873E-03 0.367E-03 0.739E-03
   -.139E+03 -.195E+03 0.191E+03   0.140E+03 0.197E+03 -.192E+03   -.101E+01 -.121E+01 0.122E+01   -.158E-03 0.214E-03 0.736E-03
   -.412E+02 -.865E+02 0.102E+03   0.415E+02 0.821E+02 -.106E+03   -.329E+00 0.430E+01 0.385E+01   -.101E-03 0.168E-03 0.827E-04
   -.534E+02 -.235E+02 0.575E+02   0.586E+02 0.321E+02 -.627E+02   -.526E+01 -.863E+01 0.492E+01   -.187E-02 0.132E-03 -.128E-02
   -.257E+03 0.361E+02 0.799E+02   0.252E+03 -.441E+02 -.752E+02   0.535E+01 0.786E+01 -.493E+01   0.115E-02 -.261E-03 0.258E-02
   -.230E+03 -.178E+02 -.119E+03   0.230E+03 0.180E+02 0.121E+03   -.406E+00 -.911E-01 -.149E+01   0.134E-02 0.634E-03 -.603E-03
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   -.662E+02 -.806E+02 0.134E+03   0.884E+02 0.765E+02 -.181E+03   -.222E+02 0.412E+01 0.477E+02   0.150E-02 -.431E-03 0.610E-03
   -.229E+03 -.412E+03 0.394E+03   0.254E+03 0.444E+03 -.427E+03   -.249E+02 -.318E+02 0.333E+02   0.348E-02 0.430E-02 -.102E-02
   0.138E+03 -.471E+03 -.181E+03   -.155E+03 0.500E+03 0.219E+03   0.168E+02 -.284E+02 -.384E+02   0.130E-02 -.614E-03 -.108E-02
   -.263E+03 -.107E+03 0.292E+02   0.301E+03 0.797E+02 -.468E+01   -.386E+02 0.273E+02 -.248E+02   0.270E-02 0.909E-03 0.795E-04
   0.664E+02 -.205E+03 0.811E+03   -.881E+02 0.234E+03 -.852E+03   0.218E+02 -.282E+02 0.412E+02   0.218E-02 0.426E-03 -.246E-02
   -.146E+03 0.194E+03 0.562E+03   0.184E+03 -.222E+03 -.584E+03   -.379E+02 0.283E+02 0.222E+02   0.120E-02 -.934E-03 -.305E-02
   0.180E+03 0.383E+03 0.370E+03   -.219E+03 -.414E+03 -.359E+03   0.385E+02 0.311E+02 -.113E+02   0.959E-03 -.894E-03 -.146E-02
 -----------------------------------------------------------------------------------------------
   0.158E+02 -.601E+01 -.115E+02   -.183E-10 0.591E-11 -.807E-11   -.157E+02 0.602E+01 0.115E+02   -.788E-01 0.111E-01 0.207E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.11718      3.14910      1.33904         0.004595      0.176939     -0.007031
     12.88786      3.58121      2.64283        -0.007900      0.221484     -0.043480
     12.84970      4.94187      2.97567         0.040158     -0.099077      0.073550
     13.16507      4.08304      0.30698        -0.015642      0.099857     -0.008943
     13.03003      5.43812      0.62796        -0.002916     -0.130500      0.070822
     12.95481      5.92381      1.95568         0.107129      0.005638      0.049837
     13.26520      1.66980      1.34192         0.100873     -0.007747      0.008185
     12.68956      2.37686      3.49941         0.104991     -0.220217     -0.015176
     13.06228      7.40566      2.21714        -0.011614     -0.109957      0.023497
     13.07619      7.97260      3.51392         0.020495     -0.037039      0.142326
     13.31957      9.33948      3.67600        -0.085074     -0.067731     -0.035446
     13.23339      8.30712      1.13818        -0.025166      0.090728      0.244214
     13.45136      9.67844      1.30198         0.046879     -0.016129      0.005402
     13.51967     10.19441      2.59790        -0.084735     -0.066364     -0.000573
     13.74499     11.57790      3.11917         0.208227      0.212597     -0.320797
     13.38098     10.14409      4.92758         0.004124     -0.052640      0.678162
     13.74927     12.61160      5.47072        -0.103529      0.140748      0.388066
     13.48796     12.49702      6.85037        -0.098937     -0.396121     -0.087965
     13.52607     13.60331      7.69564        -0.122206     -0.126253      0.025620
     14.08963     13.90665      5.05345         0.101502     -0.078926     -0.175706
     14.13154     15.01595      5.91912         0.033801     -0.004353     -0.065657
     13.82830     14.92246      7.31921        -0.008463      0.020399      0.281971
     13.88447     16.02789      8.38421        -0.024077     -0.126139     -0.209092
     13.25628     16.05250      9.68188        -0.017028     -0.161173     -0.160005
     13.34146     17.19148     10.50227        -0.063142     -0.113813     -0.114286
     14.60906     17.20141      8.10979        -0.003942     -0.012953     -0.082181
     14.59819     18.35829      8.87651         0.181466     -0.100739     -0.032886
     13.94324     18.37535     10.09183        -0.069973     -0.166792      0.046633
     12.44414     14.93713     10.31030         0.027300     -0.109345      0.032270
     14.70443     16.23722      5.23821         0.140687     -0.085567     -0.037304
      9.79710      3.84890      4.73728         0.065232     -0.042491      0.105218
      9.72004      4.77296      3.70458         0.054494      0.152094     -0.011526
      9.78407      6.15101      3.96424        -0.047279      0.084129     -0.079988
      9.98338      4.26412      6.05013         0.065913     -0.009182      0.030140
     10.05229      5.62857      6.31060         0.054999      0.055052     -0.084633
      9.95095      6.61736      5.30036        -0.006948      0.033722     -0.159470
      9.57674      2.48590      4.20677        -0.132855     -0.773821      0.293818
      9.58869      4.00714      2.41886        -0.047209     -0.291425     -0.025949
     10.02259      8.07325      5.68700        -0.017044      0.101143     -0.063213
     10.07924      9.12879      4.74011        -0.076755     -0.060967     -0.124165
     10.19675     10.44704      5.17496         0.037456      0.071869     -0.222446
     10.01083      8.46652      7.05080         0.138390      0.047194     -0.076065
     10.07956      9.80193      7.48060        -0.011046     -0.222451     -0.057723
     10.20015     10.80175      6.52081         0.052775     -0.085250     -0.035951
     10.28301     12.28567      6.63383        -0.069514     -0.103826     -0.164308
     10.30475     11.69691      4.36486        -0.156361      0.095874      0.116968
     10.73881     14.14705      4.90536        -0.073548      0.006074     -0.100875
     11.25072     14.48030      3.64487        -0.008172     -0.101077     -0.008394
     11.62234     15.79019      3.33741         0.088942     -0.221342      0.006412
     10.59413     15.23130      5.78081         0.059326      0.002303      0.115935
     10.97589     16.55475      5.47162         0.013343      0.055533     -0.093297
     11.53737     16.91362      4.18254         0.126492      0.191515     -0.026794
     12.03652     18.29951      3.70364        -0.080959     -0.121341      0.053265
     12.62066     18.69749      2.43343        -0.006686     -0.018673      0.100456
     12.93161     20.04629      2.17181         0.141825      0.098543     -0.111084
     11.93402     19.39709      4.58410        -0.038797     -0.038367      0.049954
     12.21237     20.73251      4.31673        -0.001299      0.139581     -0.166034
     12.68308     21.11057      3.05518        -0.007175     -0.083072      0.024214
     13.07468     17.81471      1.26439         0.058185     -0.256362     -0.110056
     10.78731     17.47278      6.67103         0.045993      0.124736      0.204725
     10.48677      7.06943     14.71342         0.113552      0.290906      0.007453
     10.40122      7.49192     16.03783         0.029002      0.179509      0.031544
     10.42521      8.86114     16.38080         0.016716     -0.496410      0.240338
     10.50601      8.02746     13.69437        -0.017262     -0.304021      0.201763
     10.43520      9.37700     14.03839         0.071499      0.051354      0.131158
     10.44966      9.85869     15.37599         0.131675      0.204756     -0.079283
     10.54405      5.57572     14.66505        -0.146999      0.590800      0.683105
     10.24138      6.25871     16.89306         0.030840     -0.087143     -0.018378
     10.52360     11.36379     15.63301         0.063889     -0.057455      0.019473
     10.58042     11.97449     16.91688         0.082060      0.032732      0.104223
     10.70134     13.37131     17.04055        -0.012569     -0.127497     -0.022852
     10.59117     12.25730     14.53191         0.028169      0.045818      0.129442
     10.72616     13.64685     14.65072         0.072096     -0.078459      0.065265
     10.79112     14.20838     15.92855        -0.079374     -0.113796      0.055900
     10.91868     15.62788     16.39300         0.088784      0.285307     -0.277805
     10.73551     14.23955     18.26666         0.081295     -0.008890      0.514835
     10.73969     16.77982     18.69284         0.029794     -0.075337     -0.042321
     10.09453     16.74343     19.92655        -0.072757      0.043832     -0.049863
      9.91928     17.90275     20.68359         0.038077      0.045711     -0.086506
     11.24869     18.04284     18.34645         0.131861     -0.061901     -0.130863
     11.12198     19.21398     19.12942        -0.052450      0.001815      0.127395
     10.39649     19.20009     20.39785         0.019865     -0.071796      0.242498
     10.11942     20.34254      0.16834         0.033926     -0.110807     -0.301590
      9.46061     20.29495      1.46319        -0.086908      0.111559     -0.140108
      9.25050      0.19528      2.24526         0.005033      0.003357     -0.054317
     10.50778      0.39938     21.11287         0.115727      0.070929      0.059149
     10.29636      1.54691      0.62605         0.093768      0.205461     -0.302102
      9.67600      1.48133      1.87319         0.037099     -0.158562     -0.007651
      8.79872     19.08886      2.09827        -0.024609     -0.035679     -0.288702
     11.87921     20.38128     18.47601         0.121845     -0.123947     -0.174494
      7.28510      7.64512     17.38666         0.003001      0.143444     -0.027910
      7.15285      8.57612     16.35654         0.064885      0.102224      0.026371
      7.10819      9.95249     16.63094        -0.020424      0.001321      0.017306
      7.46460      8.06642     18.69808        -0.057863      0.031919      0.051298
      7.47564      9.43661     18.96779         0.068419     -0.065744     -0.224187
      7.27998     10.42511     17.96944        -0.046216      0.094421     -0.115168
      7.03867      6.28517     16.85111        -0.125213     -0.176971      0.040264
      7.03069      7.80492     15.06339        -0.117235     -0.202984      0.082231
      7.24601     11.88736     18.38718         0.023075      0.007554     -0.077807
      7.18711     12.98028     17.47797        -0.064709      0.096352     -0.064206
      7.18889     14.30256     17.95345         0.025172     -0.112107     -0.183427
      7.31602     12.23291     19.76419         0.066772      0.128627     -0.154328
      7.32721     13.55448     20.23211        -0.064672     -0.154031     -0.093580
      7.23358     14.59920     19.31412         0.047249     -0.110163     -0.015178
      7.19064     16.08223     19.50704         0.012605     -0.349539     -0.582570
      7.21432     15.60373     17.20374        -0.099951      0.218426      0.231989
      7.52438     18.05741     17.89796        -0.059703      0.064419     -0.077479
      8.29388     18.43224     16.79699         0.120158     -0.030680     -0.032809
      8.65314     19.76540     16.57064         0.018144     -0.343630      0.144562
      7.07857     19.12958     18.68807         0.110702     -0.008661      0.009857
      7.43436     20.48696     18.46267        -0.013370      0.037922     -0.169053
      8.29595     20.88468     17.34571        -0.073050      0.046827     -0.020192
      8.85049      1.01762     16.91375         0.048338     -0.204831      0.122569
      9.55779      1.37322     15.68248        -0.061454      0.234556      0.135943
      9.97603      2.71196     15.46978         0.282778     -0.221074      0.094437
      8.71149      2.12033     17.78711         0.162338      0.205591     -0.165965
      9.19221      3.42453     17.58548         0.009216      0.045710     -0.104277
      9.82791      3.76528     16.38208        -0.065284      0.074438     -0.113186
     10.03873      0.50385     14.48727         0.215934     -0.008222     -0.038226
      6.73693      0.13987     19.47677         0.140354      0.158807     -0.045048
      6.92469     10.83588      6.16521        -0.010470      0.107565      0.100951
      6.83153     11.28179      7.48044         0.043234      0.157976      0.116087
      6.87776     12.65234      7.80704         0.046848     -0.053499      0.092382
      7.11230     11.76953      5.14370        -0.050466      0.081246     -0.001854
      7.18063     13.13090      5.46938        -0.085636     -0.049485      0.235611
      7.05529     13.63713      6.79262        -0.038521      0.059911      0.028681
      6.91970      9.34149      6.15163         0.052404     -0.262036     -0.277850
      6.81139     10.06368      8.36584         0.013856     -0.192141      0.180188
      7.15352     15.14520      7.03751        -0.053999      0.011267     -0.076852
      7.11708     15.77396      8.31419         0.001901      0.047451      0.108425
      7.24208     17.17445      8.43365         0.002185     -0.153756     -0.042246
      7.33434     16.02880      5.93125        -0.088189     -0.070025      0.298273
      7.41376     17.41868      6.05133        -0.097289     -0.047432      0.008531
      7.34365     17.99919      7.31632        -0.041570     -0.162580      0.038575
      7.48372     19.42432      7.74667         0.021257      0.386672     -0.421476
      7.42858     18.04408      9.64401         0.078616      0.031086      0.596847
      7.65087     20.58176     10.01134         0.000448      0.053196      0.263535
      7.20457     20.57965     11.33126        -0.069046     -0.254242     -0.007808
      7.19548      0.47462     12.10197        -0.062336     -0.209272     -0.043802
      8.24060      0.53822      9.61750         0.062704      0.116915     -0.009674
      8.32824      1.68819     10.44631         0.099736     -0.035795      0.062421
      7.70708      1.72923     11.76723         0.050943      0.180785      0.173439
      7.51502      2.87337     12.80510        -0.063353     -0.190531     -0.029413
      6.88616      2.83776     14.13507         0.154483      0.052292     -0.540265
      6.70088      4.00481     14.89492         0.085954      0.032518     -0.043229
      7.93126      4.17576     12.47623         0.001738      0.093163      0.181381
      7.78134      5.31794     13.27384        -0.003988      0.247157     -0.184688
      7.15049      5.27945     14.52113         0.130823     -0.050748     -0.178599
      6.27916      1.65161     14.87300         0.266992     -0.259219     -0.037922
      9.28267      2.73550      9.87003         0.024363     -0.120561      0.140842
      4.26766     11.50415     10.55240        -0.066580      0.183890     -0.018601
      4.01325     12.37159      9.49584         0.002546      0.133499      0.014731
      4.08778     13.75957      9.64777         0.033490      0.079081     -0.135652
      4.62673     12.03204     11.79522         0.039308      0.014298     -0.027306
      4.64411     13.42253     11.96670         0.036553      0.078191     -0.285554
      4.38991     14.33753     10.90635         0.048640     -0.061334     -0.076131
      3.87442     10.12315     10.15095         0.014366      0.094501      0.079280
      3.53112     11.56518      8.33403        -0.104439      0.084965     -0.452840
      4.41931     15.83482     11.13095        -0.016459     -0.022523      0.037222
      4.07129     16.79061     10.13132        -0.120032     -0.047209     -0.153218
      4.11928     18.16136     10.42210        -0.055860     -0.139952     -0.238496
      4.82169     16.35062     12.39224        -0.041257     -0.026006     -0.176281
      4.79824     17.71525     12.69536         0.046452     -0.318860      0.134686
      4.41792     18.60713     11.70520        -0.016619     -0.000424     -0.126022
      4.29105     20.07761     11.75471        -0.073760     -0.257254     -0.385882
      3.97241     19.37621      9.52823         0.171123      0.039569      1.914113
      4.35260      0.63507     10.03722         0.093507     -0.082910     -0.237158
      4.82845      0.99688      8.77535         0.055521      0.090624     -0.146865
      5.32935      2.27787      8.55239         0.064482     -0.229440      0.039530
      4.23277      1.71382     10.91743         0.091563      0.220000     -0.037879
      4.74247      3.02573     10.67972        -0.123006     -0.074877      0.020213
      5.42398      3.36634      9.44981         0.123064      0.169788     -0.119216
      6.05384      4.72304      8.94014        -0.252361     -0.091841      0.207011
      6.52924      5.03194      7.60858        -0.004202     -0.050770     -0.031371
      6.84131      6.34647      7.17820        -0.019101      0.194803     -0.062314
      6.03729      5.89236      9.73284         0.067998     -0.046277     -0.111138
      6.26610      7.19841      9.28808         0.105478      0.311931      0.201142
      6.64433      7.50436      7.97129         0.007684     -0.150425      0.038046
      6.68994      3.99361      6.50584        -0.047206     -0.107777      0.002977
      4.23728      3.86819     11.84648        -0.069568     -0.207271      0.166840
      0.86225     14.13736      0.95594         0.187446      0.109259      0.251902
      1.52216     14.58183      2.10314         0.021915      0.054193     -0.091389
      1.56918     15.96621      2.39596        -0.002423      0.070059      0.306253
      0.39762     15.03497      0.01013        -0.100438      0.068674      0.015349
      0.51849     16.39702      0.26655         0.002312     -0.054084      0.170494
      1.02628     16.93005      1.48335        -0.127684      0.077775     -0.175582
      0.80743     12.66579      0.93607        -0.174261     -0.160249     -0.017040
      2.15062     13.33905      2.73158         0.528183     -0.368141      0.450758
      0.94586     18.45991      1.65169        -0.006408     -0.032682      0.172545
      1.31260     19.21125      2.80691         0.096440      0.023471      0.130696
      1.19594     20.61883      2.81427         0.153323     -0.272067      0.105891
      0.44248     19.24090      0.57202        -0.025251      0.200499      0.035740
      0.25762     20.62969      0.60379         0.112911     -0.104391      0.098377
      0.64814      0.06513      1.74742        -0.098568     -0.227312     -0.063551
      0.57775      1.51248      2.07770        -0.299537      0.397104     -0.276050
      1.65248      0.37205      3.82843         0.236694      0.111415      0.327263
      1.33351      2.92182      4.05338         0.213560      0.240734      0.303203
      1.94516      3.00665      5.30905         0.025667     -0.163052     -0.167336
      2.07770      4.21556      5.96711         0.168063      0.035591      0.110914
      0.81337      4.14731      3.59771        -0.209337      0.054701     -0.141061
      0.90874      5.36642      4.31407        -0.142468     -0.081892     -0.006866
      1.63822      5.48437      5.55189         0.103072      0.155294      0.348979
      2.01420      6.70776      6.43997        -0.060174     -0.120463     -0.215390
      2.48147      6.67769      7.80802         0.035093      0.074386     -0.169735
      2.90138      7.82386      8.50023         0.068736      0.185312      0.067562
      2.02449      8.03304      5.93752        -0.058286      0.047380      0.226176
      2.47772      9.17887      6.62608         0.042338      0.188934     -0.264382
      2.95984      9.11071      7.95089        -0.033275     -0.265757     -0.122873
      2.76960      5.45373      8.63723        -0.271694     -0.099183      0.035278
      0.09354      6.46534      3.66099         0.125648     -0.135517      0.165882
      4.64023     14.07364      0.67607        -0.177052      0.172934     -0.116274
      4.05906     14.97903     -0.21691        -0.131778      0.178344      0.042115
      4.08518     16.37595      0.02219        -0.070701     -0.191488     -0.116295
      5.27920     14.56235      1.81183        -0.041002      0.103188     -0.085038
      5.26167     15.93966      2.05959        -0.061178     -0.168663     -0.105363
      4.65117     16.91057      1.21990         0.130170      0.131840      0.068751
      4.43909     12.67441      0.18973         0.071172      0.167686     -0.013688
      3.44295     14.14822     19.92637        -0.018005      0.081926     -0.131053
      4.69819     18.39335      1.66962        -0.001776     -0.006035     -0.024748
      4.16967     19.53203      0.98958        -0.078250      0.260443     -0.029902
      4.33276     20.84738      1.51071        -0.106444     -0.024463     -0.123546
      5.34917     18.70078      2.89480        -0.093316      0.246943      0.017591
      5.54022     19.99253      3.40096        -0.107569      0.016765      0.049072
      5.03749     21.08228      2.69017        -0.167844      0.036876     -0.209720
      5.12757      1.30287      2.94314         0.419585      0.335730      0.459548
      3.85325      0.94547      1.00704        -0.034154      0.242896     -0.034708
      4.05732      3.44168      1.89162        -0.233762     -0.294748     -0.248649
      3.15380      4.02683      0.97577         0.010113     -0.085548     -0.055004
      2.92340      5.41039      0.90688        -0.100967      0.151125     -0.008101
      4.60421      4.38959      2.77490         0.002347      0.166139      0.117358
      4.26733      5.78033      2.76665        -0.080384     -0.183971     -0.131558
      3.43793      6.41654      1.76753         0.143250     -0.224111     -0.026800
      3.05572      7.93432      1.63364        -0.083514     -0.259951     -0.007454
      1.88048      8.50112      0.99107         0.297895      0.124077      0.284204
      1.56387      9.86646      1.11611        -0.441312     -0.425367     -0.138073
      3.80420      8.94592      2.28747        -0.168669      0.322561      0.293965
      3.38748     10.27977      2.53503         0.114794      0.041016     -0.123867
      2.23903     10.80458      1.90747         0.114381     -0.079958      0.219505
      0.86426      7.76048      0.12460         0.396217     -0.023284     -0.112084
      4.90562      6.49197      3.92894         0.102833      0.250468     -0.095025
     18.03519     17.33738     13.75363        -0.020838      0.088254     -0.097911
     19.04182     17.80940     14.59132        -0.038956      0.061980     -0.020723
     19.29657     19.17673     14.74715        -0.044433      0.062375      0.077362
     17.32637     18.24279     12.95991         0.057936      0.010567      0.057644
     17.62761     19.60495     13.05791         0.225139      0.005735      0.135956
     18.56205     20.12928     13.98914        -0.023031      0.047907      0.187147
     17.98636     15.84326     13.84218         0.019225      0.073498      0.101328
     19.73127     16.62685     15.18497         0.252617     -0.319757      0.393971
     18.68616      0.36618     14.19838        -0.015110     -0.023984      0.041510
     19.60870      0.94748     15.10978        -0.022921      0.030893      0.057797
     19.59394      2.32822     15.34498        -0.014879     -0.111547      0.008682
     17.80067      1.26219     13.53897         0.186645     -0.115847      0.124188
     17.80738      2.64516     13.75836        -0.048727     -0.065607     -0.061444
     18.71506      3.17649     14.67295        -0.023179     -0.099604     -0.016106
     18.93788      4.58334     15.11979        -0.140736      0.130520     -0.006288
     20.38681      3.16026     16.30773        -0.004974      0.355867      0.067750
     20.58342      5.67727     16.74075         0.279176      0.239663      0.117300
      0.64803      5.67623     17.19494        -0.212420     -0.477931     -0.193141
      1.24118      6.82599     17.69346         0.155010      0.081290     -0.067893
     19.90738      6.88675     16.97306         0.105319     -0.205615     -0.189013
     20.51069      8.04304     17.51634         0.233023      0.322079      0.202303
      0.67248      8.09635     17.85883        -0.283022      0.154935      0.158385
      1.56267      9.25816     18.44510        -0.157594     -0.036891     -0.139986
      2.92571      9.22325     18.96032        -0.061919      0.332157      0.058736
      3.54759     10.39545     19.48965         0.562154     -0.465759      0.039723
      1.03373     10.56942     18.54042        -0.533915     -0.139460      0.032464
      1.63714     11.68698     19.11785         0.062406      0.244204     -0.126649
      2.93884     11.63519     19.62770        -0.194655      0.285260      0.070737
      4.01656      8.14991     18.92024        -0.025873     -0.469711     -0.090941
     19.47453      9.12214     17.82313        -0.087310     -0.121438     -0.048130
      1.88295     18.24693     14.11494         0.012103     -0.072973      0.255388
      1.17236     19.16466     13.34652         0.085576      0.031307      0.200153
      1.23942     20.53495     13.60950        -0.023151      0.185246     -0.010133
      2.72254     18.69161     15.13402         0.015478      0.133069      0.130091
      2.77959     20.06300     15.40984        -0.249863      0.054689     -0.085070
      2.02581     21.02957     14.69571        -0.107406      0.004786     -0.246407
      1.56417     16.86485     13.66677         0.182675      0.124522     -0.092919
      0.41787     18.38929     12.31711        -0.480141      0.035655     -0.569816
      2.15375      1.24059     15.02228         0.040904      0.140592     -0.181972
      1.62404      2.25698     14.18717        -0.062067      0.163056     -0.102226
      1.88778      3.60674     14.44838        -0.213376     -0.215957     -0.208228
      2.89007      1.69721     16.14862        -0.166808     -0.040170     -0.173600
      3.24580      3.03945     16.34211         0.028628     -0.089307      0.124472
      2.77116      4.00000     15.44712        -0.018009     -0.094408     -0.051125
      3.02792      5.46065     15.28376         0.577219      0.629250      0.269298
      1.34806      4.83101     13.76644         1.280463     -0.093287      1.452189
      1.55153      7.32026     14.29241         0.035024     -0.185868     -0.007517
      0.24376      7.61687     13.89490         0.021749     -0.131422      0.129906
     20.99476      8.90153     14.05347        -0.038450     -0.166612      0.017564
      2.30867      8.42940     14.70172         0.064161      0.008310      0.078892
      1.79814      9.73801     14.83951        -0.186433      0.041294     -0.051789
      0.40774     10.04705     14.51769        -0.108459      0.137800      0.033171
     20.87521     11.37826     14.57868         0.197155     -0.074474     -0.038942
     19.49266     11.65845     14.19988         0.126258     -0.067031      0.119617
     18.95223     12.95954     14.30053        -0.052644      0.047553     -0.019860
      0.27325     12.54920     15.01006         0.035007      0.057984      0.075773
     -0.25954     13.83627     15.09313        -0.015782      0.149344     -0.063558
     19.68151     14.09717     14.69929        -0.112950      0.062984      0.088078
     18.43242     10.65995     13.71704        -0.072099     -0.168837      0.000486
      2.90582     10.69595     15.27195        -0.028289      0.108218      0.031750
     16.24002      0.40797      5.23695         0.058814      0.059221     -0.023377
     16.90970      0.80944      6.38966        -0.053088      0.144299      0.105952
     16.89163      2.15457      6.81172         0.045279     -0.056008      0.067758
     15.54364      1.33519      4.48124         0.054381      0.087485      0.029530
     15.56415      2.67536      4.86939         0.077392     -0.066289      0.086637
     16.22552      3.14674      6.02792         0.014217     -0.037326      0.094149
     16.51973     20.23730      4.94408         0.010293      0.044168     -0.061508
     17.62565     20.85561      6.92309         0.102919     -0.125361      0.080890
     16.21214      4.64246      6.30891        -0.002936     -0.002590      0.043138
     16.88248      5.28286      7.38588         0.021714     -0.003774      0.074110
     16.84167      6.68325      7.51637        -0.033812     -0.117602      0.024838
     15.51422      5.51115      5.42325         0.161806      0.021194      0.160927
     15.54161      6.90375      5.51669         0.065319     -0.000124      0.007865
     16.22532      7.49912      6.57171         0.034304     -0.090470     -0.021236
     16.50509      8.93323      6.87977        -0.103685      0.318851     -0.153051
     17.42250      7.57537      8.56602         0.166675      0.075577      0.634948
     17.71389     10.10557      8.79865         0.129072      0.246824      0.165128
     18.75597     10.02363      9.71814        -0.082913     -0.396362     -0.046160
     19.31612     11.15122     10.28778         0.145860      0.059788      0.055079
     17.24405     11.41460      8.58909        -0.178229      0.043637     -0.162983
     17.82795     12.56462      9.17368        -0.023473      0.027472      0.133931
     18.95455     12.48002     10.06982         0.119023      0.163544      0.154065
     19.76691     13.58106     10.78256        -0.168058      0.044004     -0.157549
     21.07124     13.48707     11.40178        -0.075944      0.093469      0.080885
      0.43949     14.62423     11.95427         0.073571     -0.011119      0.074974
     19.23811     14.88780     10.88247        -0.107518     -0.062322      0.066394
     19.87936     16.01238     11.40524        -0.137046      0.141034     -0.030165
     21.14991     15.90557     11.97643         0.047898      0.048396     -0.023786
      0.80456     12.32655     11.44509         0.013689     -0.023909     -0.141606
     17.06212     13.82327      8.83283        -0.120179      0.056099      0.001520
     20.31249      1.40810      6.17302         0.060003      0.225434      0.056789
     19.72792      2.45151      5.44142        -0.003620     -0.092022      0.107768
     19.69901      3.75069      5.91623        -0.066380      0.216341      0.069610
     20.85449      1.66721      7.42831        -0.150528      0.206697      0.073845
     20.73483      2.96209      7.95787        -0.098277      0.177054     -0.087016
     20.17761      4.04755      7.22318        -0.028791     -0.067631     -0.160147
     20.23369      0.15992      5.36362         0.106180     -0.049158      0.239746
     19.19416      1.89083      4.15881        -0.290591      0.435679     -0.309406
     20.20907      5.46962      7.70856         0.007378      0.022837      0.101781
     19.79915      6.52003      6.85696        -0.073774     -0.183259     -0.187039
     20.11792      7.83981      7.15416        -0.219067     -0.036336     -0.238319
     -0.54328      5.85675      8.97739        -0.044456      0.043736     -0.046668
     -0.19903      7.18751      9.26446         0.003507     -0.213073      0.152799
     20.82220      8.16664      8.29693        -0.100344      0.045313      0.089570
     -0.12333      9.61056      8.23018         0.756146      0.777533      0.864284
     19.83496      9.09133      6.38550        -0.133342      0.051642     -0.259512
     20.36379     11.56000      6.73240        -0.059647      0.158096     -0.127930
     19.45962     11.99846      5.75309        -0.146105     -0.127291     -0.002756
     19.21334     13.35293      5.55886        -0.118651     -0.112654     -0.027333
     21.09700     12.59566      7.34734         0.146754     -0.016310      0.120329
     20.89128     13.97034      7.10073         0.020936      0.050306     -0.090066
     19.85883     14.42475      6.19632        -0.040096      0.357618     -0.102885
     19.35906     15.85102      5.92545         0.180342     -0.218290      0.076514
     18.57631     16.33838      4.81284         0.123362     -0.080170      0.063602
     18.04978     17.64505      4.80334        -0.010867     -0.030784     -0.083659
     19.56992     16.84348      6.90677        -0.017733     -0.089360      0.034881
     18.99103     18.10458      6.92757        -0.125229      0.108044      0.101882
     18.15448     18.53571      5.89070         0.124421     -0.052842      0.057182
     18.11361     15.50605      3.61756         0.132903     -0.007428     -0.029679
      0.65216     14.86961      7.79180         0.188781      0.100695      0.028244
     12.74860      5.20660      4.02815        -0.100504      0.104286      0.023362
     13.27640      3.79796     20.51995         0.020538     -0.157083      0.000125
     12.97495      6.14098     21.06129         0.138731      0.003845     -0.122328
     12.92465      7.36619      4.40788        -0.086716     -0.034823     -0.033209
     13.19920      7.92823      0.12523         0.041664      0.007028     -0.232561
     13.57326     10.29074      0.40987         0.038100      0.222083      0.069280
     13.34538     13.36834      8.73511         0.038350      0.030772     -0.013057
     13.25610     11.53302      7.30473         0.047527      0.057702     -0.161116
     14.36045     14.05616      4.01205        -0.063756      0.037780      0.055510
     12.89395     17.13558     11.48677        -0.157588      0.107665      0.109271
     15.19657     17.27773      7.21929         0.131137     -0.111934     -0.057431
     15.12672     19.22400      8.48207         0.057315      0.171206      0.100318
      9.68234      6.83948      3.12320         0.017136      0.068973      0.047553
     10.02821      3.55456      6.87140         0.056967     -0.092272     -0.059535
     10.14665      5.93068      7.35133         0.133355     -0.030376      0.026804
      9.99020      8.94294      3.66891         0.135648     -0.062920     -0.015797
      9.92478      7.70445      7.82416        -0.013430      0.042215      0.026631
     10.01047     10.01563      8.54722         0.090211      0.137767      0.022429
     12.05333     15.86476      2.35292         0.003738      0.184910      0.048231
     11.40849     13.72933      2.87643        -0.013216     -0.064464      0.013389
     10.21062     15.03630      6.77391         0.004140     -0.046902      0.052895
     13.41438     20.28524      1.22929        -0.138404     -0.035142     -0.011534
     11.59417     19.26509      5.59541         0.023957     -0.099256     -0.144682
     12.01751      0.19002      5.10561         0.025919      0.162684      0.009890
     10.39710      9.09614     17.44299        -0.003161      0.214288      0.110412
     10.54158      7.73739     12.64551        -0.000193     -0.062111     -0.065149
     10.36335     10.07558     13.21248         0.083336      0.112664     -0.105708
     10.54630     11.38019     17.82837        -0.043557     -0.099946      0.086931
     10.56043     11.85954     13.52226        -0.002271      0.032050     -0.110282
     10.79493     14.23799     13.73867         0.001596      0.199376      0.039153
      9.36914     17.70380      0.32642        -0.073031      0.168525     -0.079618
      9.68648     15.83184     20.34475         0.051175     -0.215925     -0.057861
     11.77715     18.12428     17.40493         0.022290      0.023360     -0.065383
      8.73456      0.11014      3.19464         0.045072     -0.133134      0.035109
     11.05082      0.58152     20.20091        -0.035790      0.027458     -0.060432
     10.63543      2.49518      0.20931        -0.045992      0.022375      0.087340
      6.87749     10.62820     15.80731         0.131237      0.143315     -0.006011
      7.51851      7.35584     19.52152         0.108529     -0.102386     -0.035805
      7.58501      9.72760     20.00954         0.087045     -0.001275      0.017510
      7.14318     12.81640     16.40101         0.038296     -0.040203     -0.061497
      7.35526     11.45069     20.52056         0.022485      0.066456     -0.002748
      7.40656     13.72581      0.04507        -0.002814      0.133336      0.018743
      9.29094     19.86817     15.71050         0.149390      0.170545      0.030153
      8.66731     17.68721     16.10304         0.078582     -0.060296     -0.097369
      6.43323     18.90509     19.53067         0.078048      0.001235      0.032568
     10.48185      2.97586     14.54967        -0.011610     -0.224825     -0.181679
      8.16949      2.01980     18.71596         0.037988     -0.225999      0.093183
      9.02237      4.15890     18.36732        -0.028101      0.035988      0.006146
      6.78657     12.93740      8.85457         0.096472      0.038689      0.051131
      7.25809     11.48121      4.10181        -0.095470     -0.182112      0.008618
      7.37886     13.82199      4.65216        -0.055960     -0.045012     -0.050433
      6.99777     15.19440      9.22905         0.098436     -0.118277      0.042972
      7.46217     15.62607      4.93004        -0.057699     -0.036943     -0.065636
      7.61650     18.01903      5.16662        -0.092070      0.092151     -0.004796
      6.76026      0.32269     13.06533        -0.201090      0.018183      0.089746
      6.83841     19.67564     11.80170        -0.019526     -0.179154     -0.047596
      8.67920      0.58847      8.62899         0.059230      0.076516     -0.119529
      6.20251      3.91125     15.84606        -0.048255      0.025126      0.166301
      8.44451      4.34652     11.54121        -0.023455      0.012603     -0.079283
      8.18189      6.24372     12.87564        -0.017410      0.220573      0.000084
      3.82742     14.38182      8.79645         0.143971      0.071705     -0.090552
      4.82258     11.39799     12.65823        -0.003085     -0.112322     -0.157675
      4.79373     13.80165     12.97703         0.139171     -0.051576     -0.000128
      3.73381     16.48186      9.13722         0.144135     -0.031164      0.045280
      5.15861     15.66955     13.17326        -0.002691      0.039629     -0.008829
      5.09340     18.05201     13.68992         0.003187      0.061047     -0.046221
      5.66214      2.37105      7.54411         0.119608      0.008115      0.029284
      4.82006      0.32052      7.92322         0.093457     -0.174670      0.105147
      3.69277      1.54821     11.83799         0.105250     -0.047608      0.215139
      7.22265      6.44677      6.16690        -0.139125      0.111734     -0.001165
      5.74661      5.85708     10.76902         0.058116     -0.199925      0.000010
      6.12403      7.98501     10.02538         0.041066      0.042873     -0.028677
      2.01576     16.28650      3.34168         0.036916      0.031063     -0.056894
     -0.02097     14.69744     20.32421        -0.138142     -0.085801     -0.052696
      0.18572     17.04692     20.72359        -0.088009      0.083794      0.023528
      1.68634     18.73311      3.71411         0.068493     -0.097242     -0.031187
      0.17165     18.76824     20.89499        -0.081143     -0.084328     -0.095307
     -0.15314     -0.11275     20.99388         0.009327      0.036513      0.027734
      2.60470      4.10626      6.89126        -0.014139     -0.011709     -0.169579
      2.33826      2.14054      5.81734         0.115312     -0.326240     -0.035848
      0.23666      4.14062      2.67481         0.084860      0.065300      0.063887
      3.19191      7.73344      9.54113         0.057386     -0.099117     -0.085077
      1.68388      8.21468      4.92137         0.050162     -0.020063     -0.028060
      2.44075     10.12613      6.08658         0.069307     -0.020447      0.096687
      3.67177     17.02346     20.51149        -0.172500      0.187048     -0.022097
      5.77717     13.89838      2.51882        -0.055994     -0.077356      0.000136
      5.77266     16.23838      2.96519         0.018121      0.139045      0.160348
      3.62946     19.42431      0.05011        -0.038458     -0.052609     -0.108511
      5.78654     17.91045      3.49309        -0.024494     -0.099728      0.072121
      6.09009     20.11453      4.33604        -0.057603      0.141496     -0.002640
      2.24447      5.70572      0.12108         0.006072     -0.096654     -0.084295
      2.56442      3.41892      0.30228         0.065880     -0.215483     -0.241117
      5.28862      4.04221      3.54361        -0.035462      0.017609      0.068615
      0.68324     10.20803      0.58934        -0.048742     -0.054732      0.004589
      4.76980      8.71310      2.73123        -0.090697     -0.068101     -0.163375
      4.00205     10.87779      3.21219        -0.010141      0.069947     -0.225105
     20.06266     19.48856     15.45672         0.019374      0.016617      0.049692
     16.57383     17.92662     12.24190        -0.099417     -0.203515     -0.055449
     17.14175     20.28087     12.35749        -0.172500     -0.006708      0.034792
     20.34124      0.33660     15.63363         0.004901     -0.070931      0.126202
     17.07136      0.85944     12.83703        -0.052427      0.092446      0.019981
     17.09074      3.27590     13.23021         0.052160      0.091513      0.018183
      2.24253      6.66717     18.02948         0.167415      0.076019     -0.223583
      1.25302      4.76932     17.15637        -0.186998      0.088545      0.105177
     18.86110      6.92407     16.71004        -0.210977      0.143986     -0.028699
      4.59077     10.31117     19.81787        -0.385328     -0.033248     -0.034783
      0.02596     10.77200     18.17482         0.292227     -0.174593      0.051547
      1.05346     12.60138     19.13260         0.010115      0.147489      0.021790
      0.68473     21.19918     12.94590        -0.054643      0.138735      0.090487
      3.35274     18.01226     15.71259        -0.164205     -0.119887     -0.039590
      3.44920     20.39271     16.20037         0.074422      0.001670      0.050813
      1.04717      2.03039     13.29237        -0.156131     -0.128403     -0.016916
      3.23795      0.97315     16.88343         0.073004      0.036029      0.052566
      3.87183      3.29463     17.20133        -0.009327      0.100055     -0.118854
     19.95641      8.94739     13.79040        -0.047623      0.112884      0.068430
     20.83067      6.86029     13.49731         0.034796     -0.065782      0.095306
      3.35582      8.27932     14.93241         0.011936     -0.137225      0.094434
     17.90840     13.09091     14.03959        -0.010237      0.042306     -0.104292
      1.31438     12.51908     15.29423        -0.037284     -0.140247     -0.020104
      0.41451     14.62103     15.42059        -0.068438      0.112088      0.041286
     17.44510      2.42528      7.71353        -0.042911      0.027822      0.021712
     15.01053      1.03395      3.58657         0.124799     -0.076919     -0.110099
     15.05675      3.38055      4.21673         0.045493     -0.041785      0.012196
     17.50810      4.72376      8.08413        -0.214334     -0.082955      0.105964
     14.93836      5.10172      4.60083         0.023666     -0.047120     -0.088608
     15.02983      7.49887      4.76421         0.112465      0.065651      0.018640
     20.12935     10.92604     10.94331        -0.023172      0.087033      0.098328
     19.18965      9.07174      9.99679        -0.166861     -0.131475      0.080182
     16.38782     11.55535      7.93527         0.083447      0.031649     -0.046129
      1.41492     14.50982     12.40831         0.011295     -0.065900     -0.023444
     18.22603     15.07467     10.54902         0.022919     -0.057748      0.060364
     19.34164     16.95470     11.34581         0.099843      0.122568      0.072948
     19.32832      4.52545      5.24134        -0.102598     -0.056526      0.146885
      0.11975      0.89320      7.98487        -0.080363     -0.127879      0.105611
     -0.11746      3.14676      8.95283        -0.037109     -0.036639     -0.044438
     19.27921      6.30359      5.92821        -0.012924      0.049967      0.066364
     -0.36214      5.10512      9.75298        -0.020862      0.162839     -0.147703
      0.26341      7.40521     10.23223        -0.057479      0.151877     -0.126224
     18.39584     13.54585      4.88308         0.018080      0.024773     -0.000747
     18.89444     11.30874      5.13682        -0.065571     -0.179322      0.133790
      0.63047     12.31197      8.02655         0.000312      0.036713      0.090460
     17.45225     17.92846      3.94470        -0.036147      0.044139      0.003314
     20.17425     16.62412      7.77476        -0.091060     -0.090673     -0.024704
     19.18742     18.73129      7.78707         0.000163      0.178262      0.108720
     13.87876     19.27118     10.70114         0.058233      0.115047      0.190118
     19.34262     21.14219      3.43618        -0.000576      0.178182      0.204755
     12.89352      1.22384      2.66434        -0.083643     -0.028767     -0.083146
     13.64808     11.50727      4.55214        -0.059525     -0.186377      0.091388
      9.57663      2.59713      2.76973        -0.012671      0.271470      0.129455
     10.44470     12.78877      5.29196         0.076043      0.057531     -0.227108
     10.21302      5.12167     15.99437        -0.083314     -0.144328      0.548827
     10.83092     15.61581     17.82233        -0.076298     -0.170088      0.215470
      7.06429      6.40286     15.41580         0.040566     -0.115282      0.130659
      7.25639     16.66307     18.19732         0.052919      0.012580     -0.228237
      6.77854      8.88975      7.50638        -0.078855     -0.040620      0.191746
      7.51609     19.41850      9.17196         0.160875     -0.134982      0.065623
      3.46619     10.19571      8.75297         0.009940     -0.104244      0.024032
      4.09345     20.53312     10.41903         0.001276      0.046921     -0.208607
      1.75626     12.18853      1.90848        -0.023589     -0.021358     -0.114255
      1.19919      1.68094      3.35602         0.012668     -0.313811     -0.146049
      3.58061     12.75996     20.30888        -0.132251     -0.144184     -0.199733
      4.31507      1.97447      1.96682        -0.088330      0.103883     -0.361126
     19.12966     15.44070     14.62594         0.106272     -0.079367      0.019559
     19.99200      4.53872     16.08591        -0.019674     -0.097347      0.146956
      0.59509     16.99117     12.61678        -0.099610      0.078609     -0.032004
      2.03027      5.96202     14.37284        -0.264794     -0.050555     -0.194765
     17.46635     19.80030      5.92726         0.020127     -0.022645     -0.016991
     17.22115      8.94385      8.11937        -0.187661     -0.243662      0.087937
     19.53796      0.53548      4.20162        -0.045347     -0.370883     -0.351137
     20.50185     10.17029      7.07398        -0.167977     -0.257867     -0.205915
     12.41450      2.35599      4.68987         0.071504     -0.002900      0.019727
     13.69980      0.97878      0.43557        -0.105931     -0.003152      0.072838
     13.20835      9.73146      6.07195         0.133959      0.127604     -0.523538
     13.98069     12.57877      2.45389        -0.122054     -0.241733      0.252334
      9.50902      4.43598      1.28173         0.042735      0.070536     -0.107543
      9.39465      1.45560      4.84947         0.254985      0.545540     -0.440931
     10.23177     11.80294      3.14838         0.078883     -0.014676     -0.011855
     10.16968     12.95532      7.64474         0.063660      0.104708      0.004927
     10.13740      6.19706     18.11106         0.100791     -0.007909     -0.271092
     10.86951      4.90095     13.71409         0.089877     -0.526821     -0.478301
     10.69906     13.88344     19.43901        -0.009865      0.099261     -0.447934
     11.07458     16.62460     15.69795        -0.102317     -0.192526      0.175220
      6.90809      8.22260     13.92609         0.089299      0.115927     -0.047619
      6.78254      5.27809     17.49872         0.278962      0.192982     -0.250620
      7.20081     15.78464     15.99836        -0.015041     -0.047458     -0.081328
      7.09220     16.68569     20.55548        -0.033121      0.341583      0.340014
      6.88145     10.03317      9.58707        -0.021173      0.076316     -0.246193
      7.07309      8.62475      5.17077        -0.065505      0.265865      0.477041
      7.55269     17.70300     10.81605        -0.109429      0.098432     -0.644306
      7.55433     20.42072      7.03099        -0.097141     -0.471579      0.370902
      3.22050     11.96248      7.21740         0.142997     -0.084722      0.239430
      3.84353      9.14466     10.88174        -0.007071      0.000616     -0.269428
      3.83348     19.42925      8.34080        -0.209712      0.055236     -1.504988
      4.32225     20.77866     12.74520        -0.023176      0.185359      0.301501
      2.90068     13.24988      3.69777        -0.511881      0.137603     -0.590606
      0.03528     12.00980      0.24621         0.202364      0.170446      0.114121
      2.32742      0.18673      4.83172        -0.314220     -0.008459     -0.416505
      0.05054      2.39826      1.41096         0.316373     -0.366397      0.206570
      2.95394     14.50787     18.86668        -0.025721      0.128984      0.290814
      4.94317     11.65840      0.64957        -0.074528      0.022329     -0.133993
      3.19258      1.18525      0.00867         0.188149     -0.098354      0.250447
      5.81991      1.84967      3.79957        -0.439945     -0.253901     -0.492715
     -0.62234     16.63332     16.01061        -0.111430      0.020336     -0.187291
     17.12964     15.10652     13.38796         0.036013     -0.101309     -0.083969
     -0.07698      2.80094     17.15900        -0.055008     -0.128803     -0.072791
     18.33739      5.58332     14.74870         0.210198     -0.118676      0.094803
     21.04126     18.80992     11.35607         0.136171     -0.065163      0.411631
      2.05645     15.82783     14.08452        -0.089903     -0.085189      0.007996
      0.49365      4.89059     12.92700        -1.175895      0.134333     -1.119124
      3.95409      6.12158     15.75956        -0.857423     -0.413477     -0.245547
     18.22515     20.73658      7.98109        -0.130959      0.077573     -0.187943
     16.05553     19.56829      4.03076         0.150577      0.118039      0.110597
     17.93173      7.25006      9.63440        -0.347223      0.087185     -0.559140
     16.23325      9.92001      6.20337         0.043619     -0.397756      0.333523
     18.56486      2.43995      3.25475         0.368176     -0.251628      0.519183
     20.65597     20.29321      5.60673        -0.056368      0.265731     -0.130087
     19.15043      9.19964      5.37763         0.130700      0.018519      0.288375
      0.58159     10.23554      9.02407        -0.596931     -0.505956     -0.741047
     14.02527     17.40149      5.42875         0.074296      0.004942      0.137327
     15.98814     16.43947      5.71709        -0.211927     -0.028057     -0.088680
     14.83751     16.11922      3.89313        -0.121535     -0.067394      0.082804
     11.85574     15.31813     11.48364        -0.141639      0.006706      0.156767
     11.42720     14.48085      9.52710         0.071570      0.057307     -0.073798
     13.21080     13.83777     10.65507        -0.009516      0.042200      0.056199
     11.97034     17.95667      7.17262        -0.193207      0.060026     -0.157007
      9.98537     18.57202      6.43285         0.080957     -0.161339     -0.030964
     10.19894     16.84719      7.73018        -0.037764     -0.042796      0.104104
     13.37051     18.53085      0.14028         0.047085      0.088317      0.031541
     14.21148     17.11220      1.55233        -0.154372     -0.019145      0.118121
     12.14642     16.89013      0.82674         0.153163      0.264970      0.014203
     11.13801      0.27086     18.31427         0.145736     -0.148010      0.092475
     13.01564     -0.53344     19.15866        -0.279717      0.005998      0.141600
     12.29539     20.08413     17.20449         0.061784      0.013527      0.161018
      8.38601     19.31902      3.37612        -0.112785      0.023569      0.136943
      7.67932     18.72762      1.37971         0.220830     -0.045237      0.087735
      9.56955     17.96204      2.20922         0.039558      0.009373      0.065297
      7.57974      0.87222     20.28518         0.021912     -0.077211     -0.248754
      5.88248      1.03533     18.88919         0.145870      0.015524     -0.102447
      5.97351     20.69612     20.36645        -0.112001      0.045802     -0.060155
     10.26611      1.26708     13.36997         0.209113     -0.006617      0.213653
     11.23740     -0.09963     14.79791        -0.088378      0.134806      0.038480
      9.24649     20.75550     14.00636        -0.129343      0.084821      0.208725
      8.72196      3.95622      9.55657         0.013944     -0.123417      0.097752
     10.30950      2.99369     10.73524        -0.060665      0.081195      0.142727
      9.88023      2.32974      8.70870         0.026367     -0.085155      0.044186
      6.06087      1.90856     16.18928        -0.058675      0.124304      0.390276
      5.08150      1.24704     14.39052         0.046174     -0.043079     -0.172212
      7.08027      0.53258     14.88763        -0.256503     -0.021543     -0.008669
      4.74584      5.09704     12.10204        -0.035053      0.100061     -0.100968
      2.87405      4.02571     11.72765        -0.059152      0.081026     -0.172553
      4.38804      3.19879     13.03355         0.069480      0.094771     -0.098726
      7.25021      4.45883      5.36542         0.156621      0.339674     -0.104027
      7.49354      2.95217      6.89808        -0.073707     -0.021353     -0.008714
      5.48886      3.46228      6.07621         0.120863      0.088400      0.131979
     -0.60231      7.25082      4.52365         0.158975     -0.011918     -0.004250
      0.89426      7.33504      2.98045        -0.093155      0.022482      0.212230
     -0.84382      5.97403      2.80291        -0.003415      0.066299      0.094872
      3.19272      5.74013      9.89088        -0.197068      0.157811      0.106634
      1.74470      4.54919      8.81551         0.215187      0.112539     -0.143885
      3.78732      4.75614      8.05868        -0.073880     -0.029711     -0.113353
      6.15462      6.93829      3.57171        -0.030863     -0.143057     -0.137675
      4.21398      7.56211      4.41602        -0.030413      0.003500     -0.038435
      5.05700      5.69802      5.01668        -0.116673     -0.092635     -0.077020
     -0.08762      8.57012     20.86676         0.036249      0.282468     -0.179641
      1.53045      7.18333     -0.94455        -0.246110     -0.009872      0.230082
      0.15758      6.76020      0.68720         0.145817     -0.501542      0.181990
     19.43821      9.42024     19.14832         0.083638      0.206690      0.176504
     19.66541     10.30818     17.15180        -0.027623     -0.062052     -0.060650
     18.20028      8.73652     17.50900        -0.004751      0.067044     -0.055673
      4.86060      8.22383     20.00080        -0.013318      0.259309      0.025701
      3.71417      6.81551     18.89719         0.115606      0.143624      0.121449
      4.77007      8.36836     17.79421        -0.296326     -0.010677      0.108750
      3.27909     11.51976     14.24174        -0.074461      0.140500      0.109697
      2.61825     11.51846     16.33227        -0.001528     -0.183551     -0.103626
      4.05149     10.05317     15.65241         0.008519      0.053831     -0.061608
     17.28956     11.26185     13.28293        -0.037920      0.082720      0.082010
     18.81543      9.87407     12.64502        -0.174440      0.246355      0.223405
     18.04239      9.79432     14.70679         0.126463      0.028535     -0.014578
     16.21402     14.17511      9.87256         0.264737      0.037648     -0.224058
     17.81475     14.93070      8.54132         0.028580     -0.144769      0.025604
     16.27875     13.65460      7.73656         0.078155      0.004333     -0.049535
      1.80339     12.53919     12.34114         0.215865      0.211030      0.111661
      0.38255     11.07135     11.78926        -0.010695      0.028896     -0.008037
      1.40247     12.22800     10.22561        -0.037700      0.022959      0.095786
      1.29441     15.71216      6.91851        -0.253601     -0.019522     -0.082141
      0.15952     15.67215      8.80386        -0.050150     -0.125618     -0.121662
      1.63693     14.16669      8.41685        -0.075799     -0.044093     -0.285358
     17.58928     16.24847      2.60720         0.153976      0.186213     -0.052452
     19.11452     14.75873      3.05111         0.092163      0.069652      0.035386
     17.10626     14.61975      3.95295         0.148839      0.020666     -0.090114
 -----------------------------------------------------------------------------------
    total drift:                                0.025798      0.028342      0.002498


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4573.4200176307 eV

  energy  without entropy=    -4573.5708509857  energy(sigma->0) =    -4573.47029542
 
 d Force = 0.5199273E-01[-0.218E-02, 0.106E+00]  d Energy = 0.5176616E-01 0.227E-03
 d Force = 0.3490952E+03[ 0.349E+03, 0.349E+03]  d Ewald  = 0.3490956E+03-0.345E-03


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   68(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.4616622E+00  (-0.4777457E+02)
 number of electron    2497.9999955 magnetization 
 augmentation part      162.6376736 magnetization 

  free energy =  -0.457295834985E+04  energy without entropy=  -0.457310984438E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   68(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3520
 total energy-change (2. order) :-0.1015609E+01  (-0.1224491E+01)
 number of electron    2497.9999955 magnetization 
 augmentation part      162.7086737 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8621
  0.8621

  free energy =  -0.457397395849E+04  energy without entropy=  -0.457412490246E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   68(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3728
 total energy-change (2. order) : 0.3854944E-01  (-0.2438500E-01)
 number of electron    2497.9999955 magnetization 
 augmentation part      162.6608010 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4193
  1.0871  1.7514

  free energy =  -0.457393540904E+04  energy without entropy=  -0.457408700909E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   68(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3592
 total energy-change (2. order) :-0.4250369E-02  (-0.2137957E-01)
 number of electron    2497.9999955 magnetization 
 augmentation part      162.6262230 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2841
  2.1900  0.8312  0.8312

  free energy =  -0.457393965941E+04  energy without entropy=  -0.457409042206E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   68(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3640
 total energy-change (2. order) :-0.1072035E-02  (-0.4273286E-02)
 number of electron    2497.9999955 magnetization 
 augmentation part      162.6346263 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3354
  2.3932  1.0247  1.0247  0.8990

  free energy =  -0.457394073145E+04  energy without entropy=  -0.457409214448E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   68(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) : 0.1864640E-02  (-0.2533437E-02)
 number of electron    2497.9999955 magnetization 
 augmentation part      162.6363759 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2667
  2.3777  0.9761  0.9761  1.0017  1.0017

  free energy =  -0.457393886681E+04  energy without entropy=  -0.457408971477E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   68(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3528
 total energy-change (2. order) :-0.6908216E-04  (-0.3972558E-03)
 number of electron    2497.9999955 magnetization 
 augmentation part      162.6398020 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2363
  2.3841  0.9870  0.9870  1.1931  1.1931  0.6731

  free energy =  -0.457393893589E+04  energy without entropy=  -0.457409057564E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   68(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) : 0.1177927E-03  (-0.6564549E-04)
 number of electron    2497.9999955 magnetization 
 augmentation part      162.6427284 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2199
  2.4605  1.0543  1.0543  1.2586  1.2586  0.8460  0.6069

  free energy =  -0.457393881809E+04  energy without entropy=  -0.457408997803E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   68(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3608
 total energy-change (2. order) :-0.2215491E-04  (-0.3738443E-04)
 number of electron    2497.9999955 magnetization 
 augmentation part      162.6411825 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2220
  2.5107  1.5502  1.0237  1.0237  1.1844  0.9534  0.9534  0.5766

  free energy =  -0.457393884025E+04  energy without entropy=  -0.457409010935E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   68(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3200
 total energy-change (2. order) :-0.8757226E-05  (-0.4822664E-05)
 number of electron    2497.9999955 magnetization 
 augmentation part      162.6411825 magnetization 

  free energy =  -0.457393884901E+04  energy without entropy=  -0.457409011863E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0772       2 -56.1304       3 -56.0305       4 -55.8513       5 -55.8326
       6 -56.2954       7 -58.1559       8 -58.2513       9 -56.2599      10 -55.9404
      11 -56.0280      12 -55.7888      13 -55.8090      14 -56.0128      15 -58.1040
      16 -58.1136      17 -56.3584      18 -54.9766      19 -54.8430      20 -55.0850
      21 -55.6423      22 -55.5835      23 -55.5923      24 -55.5838      25 -54.9802
      26 -54.7032      27 -54.8912      28 -54.9251      29 -60.3641      30 -60.3551
      31 -55.6637      32 -55.8006      33 -55.7096      34 -55.3619      35 -55.4983
      36 -55.9894      37 -57.8076      38 -57.9978      39 -56.0794      40 -55.7807
      41 -55.9047      42 -55.6819      43 -55.7315      44 -55.9109      45 -58.0803
      46 -58.1480      47 -56.4505      48 -55.1195      49 -54.9169      50 -55.2676
      51 -55.8824      52 -55.8323      53 -55.7543      54 -55.7482      55 -55.0776
      56 -54.8496      57 -54.9916      58 -56.3726      59 -60.3523      60 -60.5984
      61 -56.0011      62 -56.0494      63 -55.9246      64 -55.7942      65 -55.7644
      66 -56.2424      67 -58.1230      68 -58.1601      69 -56.2015      70 -55.8747
      71 -55.9893      72 -55.6846      73 -55.6842      74 -55.9440      75 -58.0508
      76 -58.1144      77 -56.3778      78 -55.0677      79 -54.8907      80 -55.1946
      81 -55.8327      82 -55.8167      83 -55.8451      84 -55.8882      85 -55.2452
      86 -54.9906      87 -55.1712      88 -56.3996      89 -60.6621      90 -60.4134
      91 -55.7504      92 -55.8668      93 -55.7709      94 -55.5198      95 -55.5919
      96 -56.1043      97 -57.9057      98 -58.0274      99 -56.2055     100 -55.9094
     101 -56.0585     102 -55.7250     103 -55.7814     104 -56.0088     105 -58.1252
     106 -58.2135     107 -56.4386     108 -55.1397     109 -54.9622     110 -55.3851
     111 -55.9410     112 -55.8674     113 -55.8038     114 -55.8459     115 -55.0995
     116 -54.9325     117 -55.0484     118 -56.3614     119 -60.4361     120 -60.6086
     121 -55.9778     122 -56.0018     123 -55.8628     124 -55.7810     125 -55.7751
     126 -56.1949     127 -58.0732     128 -58.1971     129 -56.1509     130 -55.7887
     131 -55.9030     132 -55.6921     133 -55.6096     134 -55.8264     135 -57.9077
     136 -58.0544     137 -56.3617     138 -55.0074     139 -54.8364     140 -55.2619
     141 -55.8663     142 -55.7889     143 -55.8769     144 -55.8586     145 -55.1985
     146 -55.0683     147 -55.2134     148 -56.4176     149 -60.4903     150 -60.5652
     151 -55.6690     152 -55.6988     153 -55.5305     154 -55.4133     155 -55.4573
     156 -55.9176     157 -57.9786     158 -57.8919     159 -56.0169     160 -55.7567
     161 -55.9187     162 -55.5523     163 -55.5898     164 -55.8100     165 -57.9408
     166 -58.1101     167 -56.3924     168 -55.0251     169 -54.7871     170 -55.2341
     171 -55.8690     172 -55.8663     173 -55.8468     174 -55.7866     175 -55.3199
     176 -54.8989     177 -55.0511     178 -56.4945     179 -60.4607     180 -60.5899
     181 -55.9028     182 -56.0868     183 -55.9417     184 -55.6734     185 -55.6882
     186 -56.2505     187 -58.0523     188 -58.2273     189 -56.2688     190 -55.8658
     191 -56.0251     192 -55.7506     193 -55.7400     194 -55.9605     195 -58.0751
     196 -58.2017     197 -56.5028     198 -55.0605     199 -54.9144     200 -55.2747
     201 -55.8750     202 -55.8772     203 -55.9122     204 -55.9057     205 -55.1660
     206 -55.2217     207 -55.2083     208 -56.4862     209 -60.7348     210 -60.5008
     211 -55.9734     212 -56.0561     213 -55.9386     214 -55.7780     215 -55.7195
     216 -56.2535     217 -58.1407     218 -58.1650     219 -56.1221     220 -55.8021
     221 -55.9190     222 -55.5547     223 -55.4905     224 -55.8172     225 -57.9445
     226 -58.1277     227 -56.5110     228 -55.0738     229 -54.9580     230 -55.2656
     231 -55.7838     232 -55.8283     233 -55.8021     234 -55.7263     235 -54.9870
     236 -55.0829     237 -55.2080     238 -56.4517     239 -60.3679     240 -60.3831
     241 -55.9915     242 -56.0168     243 -55.8972     244 -55.7572     245 -55.7559
     246 -56.1933     247 -58.0724     248 -58.1428     249 -56.1771     250 -55.8618
     251 -55.9855     252 -55.7396     253 -55.7327     254 -55.9254     255 -57.9757
     256 -58.0729     257 -56.3125     258 -55.0138     259 -54.7725     260 -55.1880
     261 -55.7754     262 -55.7686     263 -55.9098     264 -55.9359     265 -55.3361
     266 -54.9766     267 -55.1666     268 -56.3991     269 -60.6133     270 -60.3546
     271 -55.8953     272 -55.9642     273 -55.8222     274 -55.6927     275 -55.6472
     276 -56.0890     277 -58.0893     278 -58.1359     279 -55.9531     280 -55.6519
     281 -55.7681     282 -55.5235     283 -55.5253     284 -55.8115     285 -58.0501
     286 -57.9867     287 -56.4034     288 -55.0391     289 -54.8697     290 -55.2199
     291 -55.8610     292 -55.8039     293 -55.8331     294 -55.8527     295 -55.2199
     296 -54.9381     297 -55.0476     298 -56.4364     299 -60.4807     300 -60.5773
     301 -55.8938     302 -56.0278     303 -55.9234     304 -55.6284     305 -55.6720
     306 -56.1728     307 -58.0629     308 -58.2504     309 -56.1940     310 -55.8636
     311 -55.9812     312 -55.7001     313 -55.6699     314 -55.8980     315 -57.9968
     316 -58.0946     317 -56.3625     318 -54.9623     319 -54.7506     320 -55.2378
     321 -55.7725     322 -55.7019     323 -55.8544     324 -55.9065     325 -55.2294
     326 -55.0554     327 -55.2282     328 -56.4424     329 -60.5863     330 -60.4195
     331 -55.7599     332 -55.7930     333 -55.6697     334 -55.5985     335 -55.5795
     336 -56.0223     337 -57.9608     338 -57.9542     339 -55.9086     340 -55.5859
     341 -55.7251     342 -55.5105     343 -55.5177     344 -55.7328     345 -57.9843
     346 -57.9742     347 -56.4641     348 -55.0119     349 -54.9326     350 -55.2789
     351 -55.8547     352 -55.7875     353 -55.7538     354 -55.7559     355 -55.2009
     356 -54.8909     357 -54.9892     358 -56.4259     359 -60.4656     360 -60.5573
     361 -39.0654     362 -38.7971     363 -38.9711     364 -39.0110     365 -39.0151
     366 -38.7647     367 -38.0927     368 -38.0181     369 -38.0526     370 -38.1408
     371 -38.1383     372 -38.1964     373 -38.6850     374 -38.3006     375 -38.6840
     376 -38.7842     377 -38.8243     378 -38.7635     379 -38.1173     380 -38.1034
     381 -38.2753     382 -38.0487     383 -38.2149     384 -38.0001     385 -38.8522
     386 -38.7859     387 -38.9485     388 -38.8516     389 -38.8784     390 -38.5800
     391 -38.1909     392 -38.2363     393 -38.1919     394 -38.1845     395 -38.2369
     396 -38.2934     397 -38.7361     398 -38.4624     399 -38.7755     400 -38.8609
     401 -38.8119     402 -38.7862     403 -38.1825     404 -38.1673     405 -38.4246
     406 -38.0167     407 -38.1130     408 -38.0030     409 -38.7313     410 -38.7820
     411 -38.9710     412 -38.7082     413 -38.9296     414 -38.6471     415 -38.2279
     416 -38.2308     417 -38.1883     418 -38.2242     419 -38.2878     420 -38.3391
     421 -38.5443     422 -38.3361     423 -38.5682     424 -38.6971     425 -38.5867
     426 -38.6258     427 -38.2224     428 -38.0175     429 -38.3717     430 -38.2670
     431 -38.0658     432 -38.0010     433 -38.7682     434 -38.7085     435 -38.9188
     436 -38.6689     437 -38.9751     438 -38.6748     439 -38.4059     440 -38.1426
     441 -38.1616     442 -38.1497     443 -38.2467     444 -38.0929     445 -38.8470
     446 -38.8060     447 -38.9547     448 -38.7161     449 -38.8237     450 -38.3605
     451 -38.1074     452 -38.0617     453 -38.1517     454 -38.0014     455 -38.1645
     456 -38.1632     457 -38.8996     458 -38.7282     459 -38.8968     460 -38.8865
     461 -38.8930     462 -38.7106     463 -38.1524     464 -38.2260     465 -38.2615
     466 -38.3796     467 -38.0522     468 -38.3362     469 -38.8332     470 -38.7336
     471 -38.7627     472 -38.7442     473 -38.5812     474 -38.4681     475 -38.2401
     476 -38.0336     477 -38.2463     478 -38.1863     479 -38.1783     480 -37.9830
     481 -38.8245     482 -38.7369     483 -38.8994     484 -38.8159     485 -38.9496
     486 -38.7748     487 -38.1520     488 -38.1673     489 -38.2205     490 -38.3259
     491 -38.2498     492 -38.3701     493 -38.7614     494 -38.5603     495 -38.6326
     496 -38.7280     497 -38.4833     498 -38.4757     499 -38.1704     500 -37.9689
     501 -38.2722     502 -38.1566     503 -38.1123     504 -37.9827     505 -38.2647
     506 -41.1481     507 -71.6939     508 -71.6167     509 -71.3659     510 -71.6030
     511 -71.6223     512 -71.5413     513 -71.4127     514 -71.5871     515 -71.5801
     516 -71.4400     517 -71.4463     518 -71.4985     519 -71.5599     520 -71.6303
     521 -71.5910     522 -71.4207     523 -71.5510     524 -71.4614     525 -71.5942
     526 -71.4322     527 -71.6504     528 -71.5057     529 -71.2101     530 -71.4474
     531 -76.9238     532 -76.7821     533 -76.7837     534 -76.7358     535 -76.6593
     536 -76.5080     537 -76.8506     538 -76.7000     539 -76.7506     540 -76.7266
     541 -76.7770     542 -76.6645     543 -76.6790     544 -76.5909     545 -76.8873
     546 -76.7348     547 -76.8631     548 -76.7388     549 -76.7228     550 -76.5654
     551 -76.5420     552 -76.6702     553 -76.7603     554 -76.6184     555 -76.8214
     556 -76.8060     557 -76.8592     558 -76.7445     559 -76.7579     560 -76.8284
     561 -76.7868     562 -76.5853     563 -76.8136     564 -76.6894     565 -76.7489
     566 -76.5911     567 -76.7797     568 -76.7461     569 -76.6752     570 -76.7181
     571 -76.9038     572 -76.7232     573 -76.7698     574 -76.6609     575 -76.5939
     576 -76.5954     577 -76.7091     578 -76.7258     579 -82.3051     580 -82.2650
     581 -82.3057     582 -82.3404     583 -82.2758     584 -82.2317     585 -82.4219
     586 -82.5230     587 -82.5166     588 -82.2290     589 -82.1283     590 -82.2425
     591 -82.3442     592 -82.2030     593 -82.2691     594 -82.7092     595 -82.5164
     596 -82.5785     597 -82.4906     598 -82.4497     599 -82.5619     600 -82.2673
     601 -82.0725     602 -82.2828     603 -82.5320     604 -82.4025     605 -82.4924
     606 -82.4629     607 -82.3026     608 -82.3633     609 -82.7789     610 -82.3368
     611 -82.3113     612 -82.4710     613 -82.3419     614 -82.1980     615 -82.5983
     616 -82.4262     617 -82.3894     618 -82.6758     619 -82.7190     620 -82.7081
     621 -82.1610     622 -82.3584     623 -82.4010     624 -82.2542     625 -82.2693
     626 -82.3217     627 -82.1650     628 -82.2905     629 -82.2889     630 -82.4756
     631 -82.5606     632 -82.4188     633 -82.4823     634 -82.4856     635 -82.4730
     636 -82.3762     637 -82.3538     638 -82.2680     639 -82.1862     640 -82.4038
     641 -82.3945     642 -82.4194     643 -82.5318     644 -82.4375     645 -82.4147
     646 -82.4318     647 -82.5075     648 -82.3751     649 -82.3543     650 -82.2936
 
 
 
 E-fermi :  -1.4699     XC(G=0):  -6.5153     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.1143      2.00000
      2     -28.9445      2.00000
      3     -28.9190      2.00000
      4     -28.9001      2.00000
      5     -28.8840      2.00000
      6     -28.8820      2.00000
      7     -28.8518      2.00000
      8     -28.8119      2.00000
      9     -28.8081      2.00000
     10     -28.7832      2.00000
     11     -28.7755      2.00000
     12     -28.7682      2.00000
     13     -28.7577      2.00000
     14     -28.7325      2.00000
     15     -28.6848      2.00000
     16     -28.6688      2.00000
     17     -28.6572      2.00000
     18     -28.6498      2.00000
     19     -28.6186      2.00000
     20     -28.5811      2.00000
     21     -28.5799      2.00000
     22     -28.5774      2.00000
     23     -28.5365      2.00000
     24     -28.5017      2.00000
     25     -26.8206      2.00000
     26     -26.7541      2.00000
     27     -26.6874      2.00000
     28     -26.6842      2.00000
     29     -26.6213      2.00000
     30     -26.5936      2.00000
     31     -26.5896      2.00000
     32     -26.5813      2.00000
     33     -26.5390      2.00000
     34     -26.5310      2.00000
     35     -26.5304      2.00000
     36     -26.5261      2.00000
     37     -26.5077      2.00000
     38     -26.5025      2.00000
     39     -26.4987      2.00000
     40     -26.4939      2.00000
     41     -26.4898      2.00000
     42     -26.4891      2.00000
     43     -26.4780      2.00000
     44     -26.4686      2.00000
     45     -26.4650      2.00000
     46     -26.4440      2.00000
     47     -26.4424      2.00000
     48     -26.4417      2.00000
     49     -26.4160      2.00000
     50     -26.4050      2.00000
     51     -26.4045      2.00000
     52     -26.3859      2.00000
     53     -26.3691      2.00000
     54     -26.3647      2.00000
     55     -26.3543      2.00000
     56     -26.3473      2.00000
     57     -26.3341      2.00000
     58     -26.3315      2.00000
     59     -26.3269      2.00000
     60     -26.3178      2.00000
     61     -26.3165      2.00000
     62     -26.3076      2.00000
     63     -26.2960      2.00000
     64     -26.2859      2.00000
     65     -26.2747      2.00000
     66     -26.2629      2.00000
     67     -26.2444      2.00000
     68     -26.2375      2.00000
     69     -26.2347      2.00000
     70     -26.2266      2.00000
     71     -26.2102      2.00000
     72     -26.1112      2.00000
     73     -23.2725      2.00000
     74     -23.2424      2.00000
     75     -23.1755      2.00000
     76     -23.1505      2.00000
     77     -23.1448      2.00000
     78     -23.1432      2.00000
     79     -23.1421      2.00000
     80     -23.1275      2.00000
     81     -23.1237      2.00000
     82     -23.1025      2.00000
     83     -23.0949      2.00000
     84     -23.0868      2.00000
     85     -23.0825      2.00000
     86     -23.0605      2.00000
     87     -23.0565      2.00000
     88     -23.0320      2.00000
     89     -22.9970      2.00000
     90     -22.9963      2.00000
     91     -22.9834      2.00000
     92     -22.9641      2.00000
     93     -22.9487      2.00000
     94     -22.9472      2.00000
     95     -22.9330      2.00000
     96     -22.9270      2.00000
     97     -22.8705      2.00000
     98     -22.7571      2.00000
     99     -22.7489      2.00000
    100     -22.7450      2.00000
    101     -22.7435      2.00000
    102     -22.6933      2.00000
    103     -22.6681      2.00000
    104     -22.6678      2.00000
    105     -22.6664      2.00000
    106     -22.6471      2.00000
    107     -22.6452      2.00000
    108     -22.6379      2.00000
    109     -22.6265      2.00000
    110     -22.6234      2.00000
    111     -22.6127      2.00000
    112     -22.5947      2.00000
    113     -22.5845      2.00000
    114     -22.5666      2.00000
    115     -22.5387      2.00000
    116     -22.5265      2.00000
    117     -22.5231      2.00000
    118     -22.5149      2.00000
    119     -22.4974      2.00000
    120     -22.4958      2.00000
    121     -20.4779      2.00000
    122     -20.3868      2.00000
    123     -20.3866      2.00000
    124     -20.3807      2.00000
    125     -20.3756      2.00000
    126     -20.3496      2.00000
    127     -20.3432      2.00000
    128     -20.3362      2.00000
    129     -20.3227      2.00000
    130     -20.3103      2.00000
    131     -20.3080      2.00000
    132     -20.2839      2.00000
    133     -20.2557      2.00000
    134     -20.2536      2.00000
    135     -20.2444      2.00000
    136     -20.2372      2.00000
    137     -20.2249      2.00000
    138     -20.2196      2.00000
    139     -20.1959      2.00000
    140     -20.1952      2.00000
    141     -20.1612      2.00000
    142     -20.1492      2.00000
    143     -20.1033      2.00000
    144     -19.9190      2.00000
    145     -18.6921      2.00000
    146     -18.5516      2.00000
    147     -18.5410      2.00000
    148     -18.5389      2.00000
    149     -18.5218      2.00000
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   1290       1.3868     -0.00000
   1291       1.4573     -0.00000
   1292       1.5079     -0.00000
   1293       1.5195     -0.00000
   1294       1.5612     -0.00000
   1295       1.5863     -0.00000
   1296       1.6299     -0.00000
   1297       1.6608     -0.00000
   1298       1.8133     -0.00000
   1299       1.8477     -0.00000
   1300       1.8596     -0.00000
   1301       1.8921     -0.00000
   1302       1.8981     -0.00000
   1303       1.9285     -0.00000
   1304       1.9840     -0.00000
   1305       1.9948     -0.00000
   1306       2.0331     -0.00000
   1307       2.0661     -0.00000
   1308       2.0733     -0.00000
   1309       2.1023     -0.00000
   1310       2.1155     -0.00000
   1311       2.1541     -0.00000
   1312       2.1603     -0.00000
   1313       2.1678     -0.00000
   1314       2.1755     -0.00000
   1315       2.1981     -0.00000
   1316       2.2221     -0.00000
   1317       2.2272     -0.00000
   1318       2.2394     -0.00000
   1319       2.2608     -0.00000
   1320       2.2955     -0.00000
   1321       2.3631     -0.00000
   1322       2.4282     -0.00000
   1323       2.4461     -0.00000
   1324       2.4477     -0.00000
   1325       2.4786     -0.00000
   1326       2.5048     -0.00000
   1327       2.5251     -0.00000
   1328       2.5426     -0.00000
   1329       2.5434     -0.00000
   1330       2.5566     -0.00000
   1331       2.5588     -0.00000
   1332       2.5766     -0.00000
   1333       2.5946     -0.00000
   1334       2.6007     -0.00000
   1335       2.6131     -0.00000
   1336       2.6316     -0.00000
   1337       2.6561     -0.00000
   1338       2.6607     -0.00000
   1339       2.6793     -0.00000
   1340       2.6796     -0.00000
   1341       2.6864     -0.00000
   1342       2.7172     -0.00000
   1343       2.7532     -0.00000
   1344       2.7807     -0.00000
   1345       2.7945     -0.00000
   1346       2.9504     -0.00000
   1347       2.9826     -0.00000
   1348       3.0054     -0.00000
   1349       3.0147     -0.00000
   1350       3.0287     -0.00000
   1351       3.0586     -0.00000
   1352       3.0688     -0.00000
   1353       3.0894     -0.00000
   1354       3.1173     -0.00000
   1355       3.1391     -0.00000
   1356       3.1551     -0.00000
   1357       3.1569     -0.00000
   1358       3.1659     -0.00000
   1359       3.2025     -0.00000
   1360       3.2247     -0.00000
   1361       3.2635     -0.00000
   1362       3.3269     -0.00000
   1363       3.4422     -0.00000
   1364       3.5146     -0.00000
   1365       3.5656     -0.00000
   1366       3.6020     -0.00000
   1367       3.6424     -0.00000
   1368       3.6955     -0.00000
   1369       3.7213     -0.00000
   1370       3.7470     -0.00000
   1371       3.7953     -0.00000
   1372       3.8050     -0.00000
   1373       3.8419     -0.00000
   1374       3.8530     -0.00000
   1375       3.8574      0.00000
   1376       3.8789      0.00000
   1377       3.8903      0.00000
   1378       3.9052      0.00000
   1379       3.9238      0.00000
   1380       3.9308      0.00000
   1381       3.9362      0.00000
   1382       3.9529      0.00000
   1383       3.9603      0.00000
   1384       3.9819      0.00000
   1385       3.9884      0.00000
   1386       4.0101      0.00000
   1387       4.0154      0.00000
   1388       4.0223      0.00000
   1389       4.0379      0.00000
   1390       4.0470      0.00000
   1391       4.0659      0.00000
   1392       4.0778      0.00000
   1393       4.0947      0.00000
   1394       4.1015      0.00000
   1395       4.1076      0.00000
   1396       4.1191      0.00000
   1397       4.1351      0.00000
   1398       4.1419      0.00000
   1399       4.1575      0.00000
   1400       4.1665      0.00000
   1401       4.1772      0.00000
   1402       4.1994      0.00000
   1403       4.2151      0.00000
   1404       4.2273      0.00000
   1405       4.2340      0.00000
   1406       4.2395      0.00000
   1407       4.2620      0.00000
   1408       4.2904      0.00000
   1409       4.3072      0.00000
   1410       4.3176      0.00000
   1411       4.3345      0.00000
   1412       4.3393      0.00000
   1413       4.3445      0.00000
   1414       4.3604      0.00000
   1415       4.3838      0.00000
   1416       4.4017      0.00000
   1417       4.4146      0.00000
   1418       4.4273      0.00000
   1419       4.4378      0.00000
   1420       4.4509      0.00000
   1421       4.4575      0.00000
   1422       4.4681      0.00000
   1423       4.4800      0.00000
   1424       4.5065      0.00000
   1425       4.5354      0.00000
   1426       4.5459      0.00000
   1427       4.5550      0.00000
   1428       4.5624      0.00000
   1429       4.5852      0.00000
   1430       4.6127      0.00000
   1431       4.6365      0.00000
   1432       4.6625      0.00000
   1433       4.6784      0.00000
   1434       4.6826      0.00000
   1435       4.7541      0.00000
   1436       4.7675      0.00000
   1437       4.7986      0.00000
   1438       4.8104      0.00000
   1439       4.8290      0.00000
   1440       4.8420      0.00000
   1441       4.8681      0.00000
   1442       4.8756      0.00000
   1443       4.9107      0.00000
   1444       4.9271      0.00000
   1445       4.9374      0.00000
   1446       4.9417      0.00000
   1447       4.9701      0.00000
   1448       4.9737      0.00000
   1449       5.0052      0.00000
   1450       5.0116      0.00000
   1451       5.0332      0.00000
   1452       5.0411      0.00000
   1453       5.0611      0.00000
   1454       5.0803      0.00000
   1455       5.0989      0.00000
   1456       5.1034      0.00000
   1457       5.1237      0.00000
   1458       5.1329      0.00000
   1459       5.1462      0.00000
   1460       5.1531      0.00000
   1461       5.1855      0.00000
   1462       5.2000      0.00000
   1463       5.2177      0.00000
   1464       5.2302      0.00000
   1465       5.2370      0.00000
   1466       5.2452      0.00000
   1467       5.2558      0.00000
   1468       5.2681      0.00000
   1469       5.2760      0.00000
   1470       5.2918      0.00000
   1471       5.2987      0.00000
   1472       5.3088      0.00000
   1473       5.3216      0.00000
   1474       5.3419      0.00000
   1475       5.3431      0.00000
   1476       5.3467      0.00000
   1477       5.3563      0.00000
   1478       5.3614      0.00000
   1479       5.3673      0.00000
   1480       5.3778      0.00000
   1481       5.3929      0.00000
   1482       5.4064      0.00000
   1483       5.4155      0.00000
   1484       5.4213      0.00000
   1485       5.4375      0.00000
   1486       5.4450      0.00000
   1487       5.4512      0.00000
   1488       5.4662      0.00000
   1489       5.4703      0.00000
   1490       5.4767      0.00000
   1491       5.4863      0.00000
   1492       5.4970      0.00000
   1493       5.4998      0.00000
   1494       5.5122      0.00000
   1495       5.5160      0.00000
   1496       5.5368      0.00000
   1497       5.5434      0.00000
   1498       5.5536      0.00000
   1499       5.5559      0.00000
   1500       5.5677      0.00000
   1501       5.5852      0.00000
   1502       5.5881      0.00000
   1503       5.6006      0.00000
   1504       5.6056      0.00000
   1505       5.6110      0.00000
   1506       5.6191      0.00000
   1507       5.6298      0.00000
   1508       5.6414      0.00000
   1509       5.6453      0.00000
   1510       5.6559      0.00000
   1511       5.6605      0.00000
   1512       5.6699      0.00000
   1513       5.6772      0.00000
   1514       5.6965      0.00000
   1515       5.7125      0.00000
   1516       5.7213      0.00000
   1517       5.7228      0.00000
   1518       5.7323      0.00000
   1519       5.7397      0.00000
   1520       5.7559      0.00000
   1521       5.7594      0.00000
   1522       5.7769      0.00000
   1523       5.7856      0.00000
   1524       5.7946      0.00000
   1525       5.8089      0.00000
   1526       5.8151      0.00000
   1527       5.8160      0.00000
   1528       5.8339      0.00000
   1529       5.8519      0.00000
   1530       5.8605      0.00000
   1531       5.8676      0.00000
   1532       5.8734      0.00000
   1533       5.8836      0.00000
   1534       5.8931      0.00000
   1535       5.9014      0.00000
   1536       5.9122      0.00000
   1537       5.9180      0.00000
   1538       5.9215      0.00000
   1539       5.9315      0.00000
   1540       5.9393      0.00000
   1541       5.9650      0.00000
   1542       5.9715      0.00000
   1543       5.9775      0.00000
   1544       5.9828      0.00000
   1545       5.9883      0.00000
   1546       6.0105      0.00000
   1547       6.0192      0.00000
   1548       6.0235      0.00000
   1549       6.0307      0.00000
   1550       6.0484      0.00000
   1551       6.0505      0.00000
   1552       6.0556      0.00000
   1553       6.0600      0.00000
   1554       6.0650      0.00000
   1555       6.0746      0.00000
   1556       6.0863      0.00000
   1557       6.0984      0.00000
   1558       6.1042      0.00000
   1559       6.1190      0.00000
   1560       6.1303      0.00000
   1561       6.1422      0.00000
   1562       6.1471      0.00000
   1563       6.1602      0.00000
   1564       6.1693      0.00000
   1565       6.1701      0.00000
   1566       6.1756      0.00000
   1567       6.1910      0.00000
   1568       6.2013      0.00000
   1569       6.2024      0.00000
   1570       6.2111      0.00000
   1571       6.2225      0.00000
   1572       6.2294      0.00000
   1573       6.2381      0.00000
   1574       6.2437      0.00000
   1575       6.2461      0.00000
   1576       6.2721      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.090  13.415  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.415  17.835  -0.001   0.002  -0.000   0.002  -0.006   0.000
 -0.001  -0.001  -4.235   0.003   0.001   8.283  -0.005  -0.001
  0.001   0.002   0.003  -4.235   0.001  -0.005   8.282  -0.001
 -0.000  -0.000   0.001   0.001  -4.228  -0.001  -0.001   8.274
  0.002   0.002   8.283  -0.005  -0.001 -18.331   0.007   0.002
 -0.004  -0.006  -0.005   8.282  -0.001   0.007 -18.327  -0.000
  0.000   0.000  -0.001  -0.001   8.274   0.002  -0.000 -18.321
 total augmentation occupancy for first ion, spin component:           1
  8.460  -3.810   0.177   0.153  -0.043   0.022   0.028  -0.007
 -3.810   1.788  -0.093  -0.103   0.025  -0.010  -0.017   0.004
  0.177  -0.093   1.783  -0.060  -0.040   0.169  -0.012  -0.007
  0.153  -0.103  -0.060   1.896  -0.091  -0.012   0.177  -0.012
 -0.043   0.025  -0.040  -0.091   1.227  -0.008  -0.012   0.081
  0.022  -0.010   0.169  -0.012  -0.008   0.018  -0.002  -0.001
  0.028  -0.017  -0.012   0.177  -0.012  -0.002   0.018  -0.002
 -0.007   0.004  -0.007  -0.012   0.081  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -50109.53588 89546.66340 22248.05220-10350.41596  6337.72628 19328.29115
  Hartree  5545.55193116548.26619 60111.65593-10804.15196  4314.23967 13574.39256
  E(xc)  -10734.84823-10588.20733-10629.38841     2.89734     8.10599    33.35110
  Local   11137.64344************************ 21154.52315-10672.48844-32300.02734
  n-local -5844.33792 -5980.54007 -6034.99572     4.10605    17.03519   -65.01337
  augment  1492.79928  1535.96126  1486.54038     4.67766    12.48165    -3.50810
  Kinetic 45488.90416 43270.28439 43643.96016   -29.65120   -67.92361  -576.50168
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -115.9644998   -390.6997469   -160.3175642    -18.0149213    -50.8232692     -9.0156685
  in kB      -19.3380086    -65.1523101    -26.7342371     -3.0041323     -8.4751869     -1.5034349
  external PRESSURE =     -37.0748519 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.228E+03 -.108E+03 0.248E+03   0.228E+03 0.108E+03 -.250E+03   -.965E-01 -.384E+00 0.149E+01   0.295E-02 0.451E-04 0.965E-03
   -.187E+03 -.135E+03 0.617E+02   0.187E+03 0.136E+03 -.614E+02   0.188E+00 -.117E+01 -.233E+00   0.218E-02 -.958E-05 0.112E-02
   -.156E+03 -.126E+03 0.623E+01   0.156E+03 0.127E+03 -.457E+01   0.383E+00 -.116E+01 -.147E+01   0.232E-02 0.163E-03 0.104E-02
   -.215E+03 -.937E+02 0.334E+03   0.215E+03 0.937E+02 -.336E+03   -.344E+00 0.180E+00 0.236E+01   0.402E-02 0.137E-03 0.890E-03
   -.162E+03 -.145E+03 0.299E+03   0.162E+03 0.145E+03 -.300E+03   0.719E-01 -.684E+00 0.112E+01   0.400E-02 0.445E-03 0.879E-03
   -.140E+03 -.111E+03 0.166E+03   0.140E+03 0.111E+03 -.166E+03   0.202E+00 -.239E+00 0.160E+00   0.297E-02 0.853E-03 0.110E-02
   -.228E+03 -.127E+03 0.178E+03   0.228E+03 0.131E+03 -.179E+03   0.684E+00 -.433E+01 0.962E+00   0.261E-02 0.471E-03 0.772E-03
   -.182E+03 -.106E+03 0.326E+02   0.182E+03 0.110E+03 -.347E+02   -.493E+00 -.414E+01 0.205E+01   0.119E-02 0.202E-03 0.121E-02
   -.100E+03 0.572E+01 0.194E+03   0.100E+03 -.574E+01 -.194E+03   0.919E-01 -.795E-01 0.213E+00   0.276E-02 0.150E-02 0.679E-03
   -.791E+02 0.881E+02 0.617E+02   0.786E+02 -.896E+02 -.605E+02   0.521E+00 0.146E+01 -.107E+01   0.254E-02 0.948E-03 0.674E-03
   -.878E+02 0.104E+03 0.133E+03   0.877E+02 -.105E+03 -.133E+03   0.105E+00 0.105E+01 0.116E+00   0.256E-02 0.421E-03 0.427E-04
   -.101E+03 -.343E+01 0.329E+03   0.101E+03 0.323E+01 -.331E+03   -.145E+00 0.176E+00 0.124E+01   0.294E-02 0.233E-02 -.255E-03
   -.107E+03 -.462E+02 0.357E+03   0.107E+03 0.473E+02 -.359E+03   -.147E+00 -.109E+01 0.216E+01   0.270E-02 0.221E-02 -.145E-02
   -.109E+03 0.182E+02 0.302E+03   0.110E+03 -.181E+02 -.304E+03   -.154E+00 -.519E-01 0.149E+01   0.271E-02 0.929E-03 -.965E-03
   -.991E+02 0.104E+03 0.265E+03   0.985E+02 -.107E+03 -.267E+03   0.679E+00 0.385E+01 0.229E+01   0.299E-02 -.551E-03 -.166E-02
   -.838E+02 0.115E+03 0.102E+03   0.838E+02 -.118E+03 -.106E+03   0.718E-01 0.307E+01 0.348E+01   0.245E-02 -.877E-03 0.810E-03
   -.689E+02 0.106E+03 0.509E+02   0.694E+02 -.102E+03 -.464E+02   -.583E+00 -.452E+01 -.407E+01   0.265E-02 -.170E-02 -.532E-03
   -.193E+01 0.204E+03 -.148E+03   0.138E+01 -.206E+03 0.150E+03   0.421E+00 0.156E+01 -.199E+01   0.236E-02 -.186E-02 0.448E-03
   0.331E+02 0.152E+03 -.196E+03   -.335E+02 -.153E+03 0.198E+03   0.180E+00 0.960E-01 -.189E+01   0.248E-02 -.170E-02 0.425E-03
   -.646E+02 0.106E+03 0.179E+03   0.656E+02 -.105E+03 -.182E+03   -.992E+00 -.102E+01 0.310E+01   0.293E-02 -.119E-02 -.104E-02
   0.311E+01 0.664E+02 0.259E+01   -.427E+01 -.679E+02 -.132E+01   0.120E+01 0.147E+01 -.129E+01   0.284E-02 -.942E-03 -.337E-03
   0.128E+02 0.931E+01 -.125E+03   -.129E+02 -.938E+01 0.126E+03   0.635E-01 0.140E+00 -.869E+00   0.253E-02 -.103E-02 0.977E-04
   -.250E+02 -.349E+02 -.173E+03   0.253E+02 0.351E+02 0.172E+03   -.298E+00 -.207E+00 0.458E+00   0.245E-02 -.777E-03 0.148E-03
   -.352E+02 -.763E+02 -.231E+03   0.364E+02 0.779E+02 0.230E+03   -.116E+01 -.179E+01 0.916E+00   0.213E-02 -.772E-03 0.461E-03
   -.174E+02 -.159E+03 -.336E+03   0.168E+02 0.160E+03 0.338E+03   0.518E+00 -.781E+00 -.185E+01   0.219E-02 -.759E-03 0.263E-03
   -.103E+03 -.161E+03 -.157E+03   0.104E+03 0.161E+03 0.155E+03   -.114E+01 -.778E-01 0.154E+01   0.284E-02 -.312E-03 0.272E-03
   -.900E+02 -.279E+03 -.188E+03   0.903E+02 0.280E+03 0.188E+03   -.180E+00 -.902E+00 0.320E+00   0.309E-02 0.242E-03 0.268E-03
   -.384E+02 -.264E+03 -.287E+03   0.383E+02 0.265E+03 0.288E+03   0.631E-01 -.134E+01 -.542E+00   0.301E-02 -.313E-04 -.405E-05
   -.448E+02 -.241E+02 -.218E+03   0.507E+02 0.320E+02 0.213E+03   -.593E+01 -.786E+01 0.494E+01   0.133E-02 -.165E-02 0.131E-02
   -.193E+01 0.517E+02 0.216E+02   -.290E+01 -.604E+02 -.167E+02   0.481E+01 0.861E+01 -.480E+01   0.334E-02 -.111E-02 0.954E-04
   -.197E+03 -.251E+02 -.442E+02   0.197E+03 0.251E+02 0.457E+02   -.285E+00 -.111E+00 -.156E+01   -.176E-02 -.155E-02 0.934E-03
   -.130E+03 -.146E+03 0.137E+03   0.130E+03 0.147E+03 -.137E+03   0.826E-01 -.134E+01 -.268E+00   -.150E-02 -.738E-03 0.145E-02
   -.141E+03 -.158E+03 0.187E+03   0.140E+03 0.159E+03 -.188E+03   0.220E+00 -.162E+01 0.975E+00   -.126E-02 0.111E-03 0.866E-03
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   0.188E+03 0.381E+03 0.376E+03   -.227E+03 -.412E+03 -.365E+03   0.388E+02 0.312E+02 -.107E+02   -.541E-03 -.378E-02 -.348E-02
 -----------------------------------------------------------------------------------------------
   0.198E+02 -.328E+00 -.807E+01   -.201E-10 0.625E-11 0.898E-11   -.197E+02 0.398E+00 0.799E+01   -.749E-01 -.625E-01 0.644E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.12444      3.14692      1.33932         0.030402      0.156348     -0.040269
     12.89469      3.58240      2.64040        -0.035051      0.101588      0.047599
     12.85175      4.93947      2.97168         0.051484      0.155895      0.181054
     13.17372      4.07928      0.30780        -0.012360      0.139346     -0.172964
     13.03793      5.43565      0.62414        -0.003724      0.001780      0.056076
     12.95892      5.92519      1.95168         0.103917     -0.096845      0.028675
     13.27077      1.66872      1.34582         0.203713     -0.216263     -0.278314
     12.69502      2.37929      3.50109         0.100324     -0.187369     -0.094591
     13.06430      7.40663      2.21384        -0.012221     -0.097412      0.117174
     13.07871      7.97084      3.51385        -0.002081     -0.134591      0.159233
     13.31811      9.33687      3.67933        -0.078028     -0.075655      0.105057
     13.23463      8.31270      1.13938        -0.016925     -0.024486      0.117669
     13.45433      9.68184      1.30760         0.030035      0.010038     -0.036263
     13.51824     10.19307      2.60485        -0.025637      0.037281     -0.047739
     13.75041     11.57535      3.12556         0.136419      0.213159     -0.197769
     13.38060     10.13800      4.94005         0.075451      0.078500     -0.085075
     13.75146     12.60235      5.47962        -0.084465      0.245238      0.382216
     13.49190     12.48820      6.85819        -0.125191     -0.387004     -0.055223
     13.53211     13.59375      7.70496        -0.132036     -0.191739      0.039750
     14.09267     13.90045      5.06048         0.017132     -0.198062      0.015340
     14.13581     15.00638      5.92853         0.038291      0.019191     -0.011020
     13.83250     14.91090      7.33340         0.031697      0.065087      0.001325
     13.88477     16.01440      8.39075         0.021852     -0.013075     -0.132026
     13.25193     16.04532      9.68535        -0.027599     -0.130842     -0.121420
     13.33588     17.18765     10.50281        -0.066022     -0.129848     -0.100881
     14.61809     17.18426      8.11794         0.011493     -0.003536     -0.115768
     14.61006     18.34336      8.88107         0.151354     -0.054013      0.015421
     13.94436     18.36820     10.09314        -0.010681     -0.099541     -0.002011
     12.43886     14.92899     10.31175         0.054378     -0.000405      0.083591
     14.70958     16.22833      5.24540        -0.021238     -0.047019      0.107595
      9.80437      3.84784      4.73332         0.039552     -0.109499     -0.016340
      9.71931      4.77262      3.70022         0.027809      0.001764     -0.024671
      9.77631      6.14911      3.95713        -0.025580      0.233261     -0.095256
      9.99861      4.26385      6.04160         0.075762      0.030273      0.181589
     10.06772      5.62926      6.30239         0.084173      0.154654     -0.043906
      9.95435      6.61923      5.29161        -0.015690     -0.003341     -0.094067
      9.58498      2.47648      4.20613         0.029733      0.191129     -0.127959
      9.58688      4.00410      2.41426        -0.027548     -0.225457      0.058237
     10.02495      8.07781      5.67860        -0.020650     -0.002388     -0.075623
     10.07751      9.13269      4.73186        -0.072468     -0.053406     -0.191428
     10.19575     10.45063      5.16755        -0.002236      0.099350     -0.305484
     10.01736      8.46950      7.04293         0.130172     -0.038153     -0.044974
     10.08699      9.80395      7.47224        -0.016779     -0.228570      0.003121
     10.20212     10.80423      6.51285         0.054842     -0.037280     -0.050699
     10.28308     12.28633      6.62256        -0.106541      0.353110      0.450959
     10.29679     11.70317      4.35456        -0.076781     -0.033187      0.258846
     10.72978     14.14970      4.89903        -0.008925      0.140424     -0.068296
     11.24715     14.48480      3.64172         0.013619     -0.202893     -0.137255
     11.61749     15.79297      3.33278         0.125098     -0.074716      0.005439
     10.58744     15.23497      5.77607         0.061762     -0.047701      0.010783
     10.96863     16.55780      5.46533         0.066476      0.089067     -0.013483
     11.53469     16.91703      4.18103         0.152365      0.132774     -0.154694
     12.04209     18.30090      3.70179        -0.172416     -0.086125      0.205634
     12.62697     18.69992      2.43733         0.061089     -0.090362     -0.052064
     12.94143     20.04816      2.17443         0.035626      0.039471     -0.026036
     11.93520     19.39988      4.58303        -0.022582     -0.068633      0.031959
     12.21381     20.73480      4.31356        -0.035388      0.193497     -0.013211
     12.69046     21.11343      3.05505        -0.031319     -0.149655      0.031809
     13.08576     17.81237      1.26685        -0.073130     -0.138294     -0.026825
     10.78670     17.47779      6.66525        -0.024335     -0.008860      0.288650
     10.50040      7.06792     14.72522         0.136745      0.192508     -0.046334
     10.41707      7.48849     16.04853         0.018991      0.329424      0.007391
     10.43694      8.85603     16.38835         0.041395     -0.210325      0.385615
     10.52032      8.02020     13.70565        -0.040168     -0.055485     -0.040994
     10.45026      9.37534     14.04410         0.049003     -0.025577      0.169590
     10.46168      9.85936     15.38183         0.136942      0.014449     -0.045958
     10.55011      5.58050     14.68364         0.233605     -0.460919     -0.676173
     10.25840      6.26153     16.89546        -0.099812     -0.196546      1.042178
     10.53330     11.36270     15.63829         0.068032     -0.041434      0.087233
     10.59411     11.97378     16.92287         0.054091     -0.110902      0.157775
     10.70871     13.36885     17.04576        -0.006105     -0.128757      0.048765
     10.59624     12.25685     14.53826         0.022279     -0.077152      0.108008
     10.73052     13.64425     14.65719         0.052763     -0.051217     -0.007424
     10.79299     14.20447     15.93394        -0.028869      0.006323      0.062666
     10.92258     15.62578     16.39699         0.035332      0.185047     -0.256245
     10.74377     14.23497     18.27609         0.084021      0.066445      0.013791
     10.74482     16.77297     18.69285        -0.008844      0.013306      0.104408
     10.09040     16.74332     19.92474        -0.061232     -0.173941     -0.158151
      9.91751     17.90196     20.67776        -0.033208      0.025533      0.047841
     11.26274     18.03451     18.35060         0.045374     -0.142850     -0.056838
     11.13203     19.20495     19.13461         0.067584      0.047578     -0.016062
     10.39987     19.19549     20.39528         0.013931      0.026064      0.214392
     10.11602     20.34300      0.15622        -0.033363     -0.164046     -0.146931
      9.44876     20.29660      1.45044        -0.032746      0.019027     -0.211226
      9.24167      0.19503      2.23293         0.008319      0.080646      0.008346
     10.50502      0.39851     21.10416         0.109345      0.118804      0.060964
     10.30066      1.54596      0.62046         0.052079      0.158181     -0.206194
      9.67720      1.48117      1.86766         0.064211     -0.163875     -0.103427
      8.78625     19.08542      2.08150         0.167607     -0.004320     -0.156122
     11.90223     20.36921     18.48410        -0.018164     -0.099434     -0.029425
      7.29123      7.64549     17.37703        -0.019405      0.122434      0.054566
      7.15198      8.57460     16.34765         0.015702      0.097192      0.018511
      7.10286      9.94976     16.62150        -0.017142      0.160781      0.007304
      7.47803      8.06754     18.68795        -0.055899     -0.004742      0.048130
      7.48946      9.43648     18.95707         0.081472      0.102242     -0.107441
      7.28295     10.42660     17.95887        -0.040872      0.048241     -0.074877
      7.04938      6.28392     16.84605        -0.085669     -0.288038      0.093158
      7.02682      7.80282     15.05687        -0.038083     -0.175999     -0.051468
      7.24884     11.89078     18.37837         0.007003     -0.003293     -0.086527
      7.17929     12.98596     17.47004        -0.053539     -0.109911     -0.210876
      7.18554     14.30429     17.94383        -0.004918      0.033290     -0.140024
      7.32576     12.23705     19.75560         0.080730     -0.009038     -0.181280
      7.33577     13.55838     20.22140        -0.065840     -0.197701      0.054230
      7.23640     14.60133     19.30505         0.034718     -0.033086     -0.075071
      7.19071     16.08175     19.49278        -0.048952      0.314122      0.390098
      7.20167     15.60696     17.19533        -0.072236      0.222537     -0.059179
      7.51988     18.05853     17.88530         0.005111      0.180359     -0.069868
      8.30040     18.43269     16.78915         0.053394     -0.242457     -0.030761
      8.66051     19.76091     16.56524         0.144607     -0.109648     -0.001604
      7.07444     19.13280     18.67289         0.067713     -0.069639     -0.014423
      7.43369     20.48903     18.44419        -0.064416      0.014268      0.008148
      8.30091     20.88188     17.33962         0.035269      0.100639     -0.107454
      8.86545      1.01542     16.91629        -0.012474     -0.113371      0.151701
      9.57907      1.37216     15.68910        -0.103061      0.281844      0.216409
      9.99790      2.71112     15.48492         0.363526      0.013339     -0.062760
      8.71898      2.12323     17.78836         0.104076     -0.080786     -0.096561
      9.19978      3.42566     17.59239        -0.035581      0.106978     -0.165032
      9.83850      3.77345     16.39455        -0.008016     -0.351559     -0.269462
     10.06123      0.50907     14.49532         0.308424     -0.353663     -0.121311
      6.73798      0.14588     19.45648        -0.008410      0.030963     -0.047741
      6.92264     10.83315      6.17485        -0.005657      0.019830     -0.005403
      6.83531     11.27881      7.48960         0.032515      0.082953      0.094665
      6.87931     12.64607      7.81407         0.053628      0.217262      0.192606
      7.10039     11.76523      5.15109        -0.036995      0.137460     -0.045027
      7.16696     13.12841      5.47485        -0.065969      0.032869      0.157846
      7.04978     13.63653      6.79778        -0.045259     -0.021966      0.084008
      6.91810      9.33568      6.15824        -0.011368      0.051461      0.140325
      6.81745     10.06180      8.37639        -0.005507     -0.179634     -0.052542
      7.14827     15.14646      7.04175        -0.076364     -0.021941      0.062507
      7.12032     15.77443      8.32259        -0.011316     -0.114201      0.118530
      7.24275     17.17307      8.44289         0.009899     -0.112755      0.019607
      7.31839     16.03227      5.93768        -0.084677     -0.152212      0.139274
      7.39944     17.42119      6.06012        -0.093140     -0.019405      0.004175
      7.33655     17.99800      7.32714        -0.026919     -0.024340     -0.090001
      7.47349     19.43018      7.75038        -0.012019     -0.272051      0.097745
      7.43399     18.04158      9.65596         0.031626      0.219314     -0.003753
      7.65604     20.57850     10.01614         0.026896      0.141668      0.266832
      7.20764     20.57718     11.33534        -0.085868     -0.385398     -0.029223
      7.20018      0.46715     12.10602        -0.030558      0.065877      0.028003
      8.25152      0.53357      9.62241         0.081887      0.069183     -0.030508
      8.34311      1.68068     10.45539         0.157738      0.004018     -0.056190
      7.71584      1.72437     11.76916        -0.004108      0.076572      0.261360
      7.52184      2.87217     12.80104        -0.200337     -0.423445      0.160209
      6.88907      2.83664     14.13603         0.219511     -0.031957     -0.655872
      6.70249      4.00180     14.88953         0.125462      0.288702     -0.009538
      7.93006      4.16884     12.47213         0.090531      0.340257      0.135118
      7.78882      5.31573     13.27109         0.016934      0.222742     -0.315087
      7.15714      5.28051     14.51393         0.047758     -0.278033     -0.060266
      6.28505      1.65246     14.87682         0.153265     -0.393100     -0.105650
      9.30659      2.72769      9.88425        -0.012901     -0.274403      0.048911
      4.27297     11.50920     10.53536        -0.053091      0.074661      0.086346
      4.02042     12.37512      9.47952        -0.014357      0.155900     -0.045201
      4.10387     13.76216      9.63120         0.003163      0.184676     -0.200839
      4.63838     12.03273     11.77815         0.037958      0.078920     -0.035043
      4.65737     13.42358     11.94976         0.053247      0.098708     -0.184171
      4.40525     14.34014     10.89100         0.011718     -0.060188     -0.093520
      3.87531     10.12851     10.14052        -0.028150     -0.024312      0.006074
      3.53378     11.56942      8.31594         0.000363     -0.014303     -0.162677
      4.42863     15.83820     11.12055        -0.048982     -0.041133     -0.094880
      4.07145     16.79407     10.12075        -0.097215     -0.207349     -0.127324
      4.11593     18.16234     10.41110        -0.048689     -0.062160     -0.183898
      4.83018     16.35213     12.38047        -0.016907     -0.045509     -0.064877
      4.79835     17.71590     12.68634         0.008791     -0.273113      0.029665
      4.41414     18.60592     11.69329         0.034932     -0.002976      0.079438
      4.28743     20.07524     11.74436        -0.028306      0.046880      0.068955
      3.96559     19.37967      9.53346        -0.085219      0.177810     -0.053651
      4.35102      0.63334     10.03103         0.160524      0.093503     -0.263250
      4.83647      0.99992      8.77299        -0.042703     -0.241219     -0.206320
      5.34018      2.27468      8.55698         0.153354     -0.009588     -0.003759
      4.23349      1.71064     10.91335         0.046722      0.074287     -0.051165
      4.74054      3.02048     10.67985        -0.094502      0.020123      0.029482
      5.43021      3.36210      9.45711         0.129859      0.230638     -0.205571
      6.06002      4.72176      8.94681        -0.233062     -0.095172      0.198903
      6.53530      5.03397      7.61647        -0.022995     -0.159267     -0.009771
      6.84290      6.34965      7.18640        -0.037089      0.133256     -0.051266
      6.04811      5.89117      9.73938        -0.029719     -0.195720      0.154088
      6.27148      7.19565      9.29903         0.143154      0.411614      0.076509
      6.64678      7.50463      7.98022        -0.035221     -0.158966      0.133034
      6.69992      3.99163      6.51678        -0.103526      0.079331     -0.109296
      4.22374      3.85939     11.84275        -0.062885     -0.239479      0.217453
      0.85823     14.13113      0.97131        -0.082108      0.020186     -0.161255
      1.51928     14.57287      2.11133         0.078666      0.200450      0.003289
      1.56256     15.96060      2.40198         0.004769      0.052544      0.226555
      0.38275     15.02761      0.02257        -0.044717     -0.113755      0.094700
      0.50662     16.38791      0.27714        -0.090688      0.079692     -0.037807
      1.01765     16.92605      1.48703        -0.014779     -0.037519      0.034389
      0.79792     12.65309      0.93982         0.222824      0.442481      0.337599
      2.15328     13.32871      2.73596         0.140592     -0.176782      0.058389
      0.94423     18.45422      1.65466        -0.064221      0.108759      0.060561
      1.31586     19.21012      2.80714         0.136934     -0.266306      0.254682
      1.20218     20.61202      2.81761         0.067998     -0.008697     -0.031730
      0.43844     19.23829      0.57342         0.024259     -0.054816      0.089798
      0.25605     20.62482      0.60903         0.033992     -0.071730     -0.105366
      0.65096      0.05727      1.74814        -0.066380     -0.044584      0.088865
      0.57616      1.51191      2.07330        -0.006083     -0.194917      0.098499
      1.65852      0.36926      3.83149        -0.024355      0.086349     -0.109428
      1.33245      2.91874      4.05470         0.083879      0.209849      0.054109
      1.94448      3.00801      5.30535         0.152460     -0.196650     -0.004057
      2.08067      4.21905      5.96116         0.108286      0.051861      0.055077
      0.80462      4.14192      3.59364        -0.064766      0.086372      0.131705
      0.90003      5.36207      4.31475        -0.152885     -0.160278     -0.031057
      1.63374      5.48658      5.55041         0.061877      0.015585      0.229129
      2.00596      6.70728      6.43318        -0.006074     -0.042396     -0.136171
      2.47392      6.68342      7.79895         0.090898     -0.170656      0.063477
      2.89522      7.82774      8.49215         0.066189      0.216583      0.100398
      2.02260      8.03164      5.93262        -0.125032      0.075766     -0.004568
      2.47635      9.17983      6.61507         0.021185      0.183312     -0.271638
      2.95304      9.11421      7.94060         0.020121     -0.255860     -0.081537
      2.75774      5.45495      8.63840        -0.072936      0.065196      0.032078
      0.08021      6.45735      3.67086         0.216979     -0.061533     -0.098498
      4.63116     14.07308      0.66870        -0.062909      0.211937      0.051780
      4.05136     14.97915     -0.22358        -0.040765      0.228706      0.156444
      4.08276     16.37493      0.01654        -0.114283      0.039798     -0.174740
      5.27097     14.56304      1.80622         0.002812     -0.005578      0.000002
      5.25516     15.94032      2.05715        -0.046394     -0.068404     -0.050205
      4.64907     16.91589      1.21658         0.079130     -0.009503     -0.023819
      4.42979     12.67489      0.18393         0.120699      0.101580      0.059232
      3.43730     14.15041     19.92643        -0.214818      0.254976     -0.394581
      4.69440     18.39985      1.66509        -0.027444     -0.024249     -0.084051
      4.16969     19.53837      0.97961        -0.138433      0.197057     -0.148547
      4.32805     20.85416      1.49800        -0.064314      0.012631     -0.067542
      5.33789     18.70728      2.89368        -0.118038      0.155800     -0.017292
      5.52568     19.99830      3.39672        -0.090154      0.102160      0.077378
      5.02786     21.08816      2.67918        -0.040156      0.070085     -0.024227
      5.12924      1.31294      2.93972        -0.099652     -0.088485     -0.191687
      3.85112      0.95350      0.99455         0.103387      0.184379      0.149223
      4.05592      3.44653      1.87893        -0.163204     -0.206551     -0.198008
      3.15707      4.03188      0.96003         0.050632     -0.076506     -0.008837
      2.92718      5.41432      0.88672        -0.014973      0.084254      0.064547
      4.60728      4.39848      2.76042        -0.042427      0.064351      0.064478
      4.26993      5.78698      2.75520        -0.169573     -0.224184     -0.166932
      3.43642      6.41434      1.75385         0.099622     -0.038451      0.010493
      3.04335      7.93038      1.62533         0.163987     -0.172016      0.164347
      1.86462      8.49658      1.00143         0.105684     -0.010403      0.193547
      1.54308      9.85840      1.12594        -0.173482     -0.243008      0.070386
      3.80400      8.94224      2.27649        -0.370129      0.138057      0.052693
      3.39355     10.27508      2.52109         0.059297      0.033714     -0.104772
      2.23708     10.79908      1.90643         0.025418     -0.154967      0.123716
      0.84476      7.74775      0.14147         0.280760      0.162849     -0.247842
      4.90491      6.49289      3.92447         0.057516      0.308959     -0.173098
     18.03100     17.33573     13.76597         0.036683      0.037257     -0.048768
     19.03509     17.80762     14.60564         0.044719      0.037582      0.070388
     19.28859     19.17424     14.76545         0.016409      0.148647      0.152473
     17.32693     18.24059     12.97136        -0.028221      0.110112     -0.039200
     17.62827     19.60403     13.06813         0.185855      0.048565      0.122293
     18.55652     20.12936     14.00645        -0.037482      0.036909      0.119308
     17.98690     15.84412     13.85366        -0.339581     -0.343151     -0.098434
     19.73095     16.62364     15.20188        -0.138104     -0.193410     -0.019862
     18.68122      0.36810     14.21142         0.034682     -0.099517      0.085320
     19.60089      0.94840     15.12763         0.032654     -0.133107      0.093970
     19.58835      2.32748     15.35586         0.085161      0.013696      0.108573
     17.80277      1.26380     13.54474         0.127684     -0.165854      0.076797
     17.81114      2.64660     13.76120        -0.054401     -0.103630     -0.079340
     18.71655      3.17527     14.67739        -0.062980      0.079900      0.007976
     18.93655      4.58545     15.12508        -0.186531      0.290830     -0.052487
     20.38286      3.16426     16.31972        -0.137145      0.295443     -0.055622
     20.58118      5.67830     16.75166        -0.075969      0.263789     -0.015794
      0.64077      5.67636     17.19634         0.097331     -0.180898      0.023374
      1.23722      6.83015     17.69724         0.200326     -0.236450     -0.131119
     19.89658      6.88589     16.98162         0.441514     -0.057435     -0.045058
     20.50599      8.04568     17.52565        -0.050700      0.088034      0.096675
      0.66506      8.09234     17.86378        -0.219118      0.457448      0.218183
      1.55494      9.25906     18.44425        -0.070405      0.228800     -0.024646
      2.92430      9.23575     18.95766        -0.178964      0.114753      0.045698
      3.54314     10.40587     19.48488         0.238887     -0.106571      0.048047
      1.02485     10.57597     18.53970        -0.416101     -0.380567     -0.019059
      1.62505     11.69796     19.11357         0.149839      0.045019     -0.107468
      2.92470     11.65054     19.62639        -0.061988     -0.124295     -0.041525
      4.01705      8.15471     18.92585        -0.379684     -0.267223     -0.061427
     19.46524      9.12283     17.83374         0.156370     -0.098673      0.081072
      1.87393     18.25175     14.11754        -0.033523     -0.110029      0.132488
      1.16739     19.16712     13.34434        -0.003799      0.081301      0.169615
      1.23029     20.53662     13.60664        -0.056549      0.318950     -0.078555
      2.70673     18.69798     15.13795        -0.012157      0.187545      0.181422
      2.75532     20.06755     15.41714        -0.147340      0.177071     -0.085546
      2.01082     21.03523     14.69457        -0.108447      0.016299     -0.204693
      1.55767     16.87267     13.66751         0.297219     -0.314110      0.055709
      0.40783     18.39336     12.31467        -0.226576     -0.048102     -0.262073
      2.14042      1.24951     15.01978        -0.003999      0.011047     -0.220858
      1.61176      2.26466     14.18100        -0.064915     -0.101948     -0.184856
      1.88253      3.60727     14.44026        -0.230894      0.071033     -0.207672
      2.87143      1.70233     16.14883        -0.110060     -0.029211     -0.085061
      3.22754      3.04683     16.34281        -0.013434     -0.223554      0.092988
      2.75988      4.00299     15.44185         0.067167      0.026292      0.028370
      3.01781      5.47111     15.28459         0.143707      0.073455      0.070009
      1.35056      4.83325     13.76485        -0.003318      0.081021      0.197025
      1.54560      7.31910     14.28165        -0.116906     -0.039326     -0.034013
      0.23500      7.62011     13.89351        -0.087095     -0.228075      0.051104
     20.99048      8.90668     14.05094        -0.025171     -0.189205      0.027534
      2.30548      8.42798     14.68759        -0.028713     -0.050671      0.036838
      1.79674      9.73578     14.82217        -0.139042      0.193016      0.020236
      0.40782     10.04985     14.51031        -0.144557      0.125594      0.052445
     20.87499     11.37993     14.58264         0.246426     -0.073398     -0.037195
     19.49415     11.66114     14.21128        -0.003184     -0.221895      0.021902
     18.94951     12.95902     14.31289         0.024003      0.045477     -0.019269
      0.27194     12.54964     15.01730         0.010985      0.078604      0.046723
     -0.26092     13.83660     15.09347         0.021636      0.227427      0.016819
     19.67676     14.09799     14.70648         0.067818     -0.006499      0.111675
     18.43025     10.65692     13.72871         0.012820     -0.030629      0.038931
      2.90142     10.69907     15.25415         0.094254     -0.011016      0.063895
     16.25453      0.40592      5.23786         0.037316      0.071480     -0.012231
     16.91558      0.80611      6.39685        -0.070636      0.042357      0.056822
     16.88873      2.14625      6.82364         0.071218      0.154293      0.189867
     15.56215      1.33392      4.48102        -0.017067      0.101710     -0.092808
     15.57651      2.67386      4.87087         0.057552      0.008707      0.122727
     16.22442      3.14295      6.03966         0.029498     -0.057434      0.067472
     16.53444     20.23618      4.94422        -0.064477      0.016043     -0.199913
     17.63238     20.85249      6.92894         0.077721     -0.061393      0.073516
     16.20771      4.64035      6.32461         0.038051     -0.016871      0.082100
     16.86835      5.28206      7.41048         0.050113     -0.178694      0.085675
     16.83141      6.68107      7.53482         0.007570     -0.056194      0.091570
     15.52269      5.51049      5.43028         0.096493     -0.079423      0.072378
     15.55454      6.90287      5.52106         0.058933     -0.031691     -0.013239
     16.22958      7.49605      6.58177         0.003274      0.020508     -0.072346
     16.50993      8.93525      6.88328        -0.010570     -0.210901      0.161485
     17.41251      7.57482      8.58792        -0.095707      0.162978      0.071326
     17.70801     10.10468      8.80783         0.141691      0.211126      0.162340
     18.74867     10.02132      9.72877        -0.033779     -0.297848     -0.002611
     19.31178     11.14958     10.29897         0.074186      0.067225     -0.003181
     17.23901     11.41298      8.59550        -0.093749      0.050663     -0.087163
     17.82876     12.56144      9.17889        -0.104495      0.096553      0.049937
     18.95543     12.48083     10.07240         0.094232      0.029691      0.143920
     19.76373     13.58444     10.77619         0.039539     -0.001460     -0.023087
     21.07299     13.49382     11.39631        -0.100822     -0.015913      0.006149
      0.44285     14.62909     11.94837        -0.098197      0.074877      0.039296
     19.23370     14.88653     10.88291        -0.008989      0.094158      0.119418
     19.87274     16.01407     11.40978        -0.115843      0.050811     -0.055472
     21.14732     15.91029     11.97413        -0.022138      0.001563     -0.049586
      0.80846     12.33016     11.43288        -0.011113      0.021481      0.050239
     17.06567     13.82368      8.83358        -0.044397     -0.056358      0.023219
     20.30510      1.41718      6.17968         0.025453      0.093970     -0.063408
     19.71723      2.45530      5.44538         0.013901      0.016946      0.135253
     19.68534      3.75405      5.92427        -0.084950      0.240246     -0.009101
     20.84540      1.67535      7.43364        -0.096917      0.249347      0.173189
     20.72495      2.97113      7.96385        -0.096489      0.123040     -0.075106
     20.16355      4.05386      7.22920         0.011488     -0.047162     -0.095004
     20.23580      0.16672      5.37016        -0.007335      0.066131      0.063843
     19.19381      1.89991      4.15445         0.078250     -0.014049      0.199109
     20.19669      5.47852      7.71424        -0.059737     -0.111024     -0.037454
     19.78330      6.52492      6.85891        -0.070456     -0.234922     -0.127456
     20.10181      7.84226      7.15248        -0.131889      0.177726     -0.136673
     -0.55582      5.86274      8.97984         0.000799      0.093416      0.064760
     -0.21655      7.19487      9.27058        -0.048452     -0.197924      0.010613
     20.80433      8.16993      8.29719         0.010887      0.222415      0.194179
     -0.12525      9.62782      8.24192        -0.998926     -1.054101     -1.030747
     19.81561      9.09645      6.37765         0.629852     -0.142656      0.892784
     20.35805     11.56526      6.72787        -0.069192     -0.091757     -0.119365
     19.45100     12.00262      5.75275        -0.189991     -0.122939     -0.079266
     19.21142     13.35567      5.55418        -0.148818      0.018515     -0.045774
     21.10256     12.59468      7.33700         0.018918      0.072576     -0.004131
     20.90070     13.96906      7.08297         0.074742      0.114129      0.008470
     19.86515     14.42821      6.18733        -0.077770      0.190640     -0.148998
     19.36599     15.85044      5.92093         0.165988     -0.144836      0.069123
     18.58743     16.34440      4.80841         0.084001     -0.102675      0.023539
     18.05834     17.65047      4.80283         0.023816     -0.085504     -0.070416
     19.57029     16.83713      6.90858        -0.037765     -0.029187      0.055880
     18.99431     18.10030      6.92892        -0.093687      0.174251      0.215269
     18.16197     18.53956      5.89270         0.159981     -0.210035     -0.009845
     18.13514     15.51439      3.60482         0.156686      0.094620     -0.007553
      0.66434     14.87237      7.76914         0.133693     -0.017444     -0.013973
     12.74874      5.20997      4.02660        -0.092100      0.045712     -0.094567
     13.28588      3.79621     20.51783         0.016854     -0.158876      0.080758
     12.98737      6.14122     21.05423         0.140053     -0.093594     -0.031270
     12.93029      7.35906      4.40782        -0.073470      0.015782     -0.098579
     13.20472      7.93379      0.12336         0.036083      0.046384     -0.152991
     13.57860     10.29674      0.41699         0.039438      0.214749      0.088015
     13.35553     13.36176      8.74433         0.016394     -0.012989      0.024794
     13.25018     11.52607      7.31105         0.070106      0.052300     -0.152459
     14.35304     14.05103      4.02059        -0.009856      0.055031     -0.061281
     12.88667     17.13736     11.48718        -0.170728      0.089600      0.096636
     15.21260     17.25442      7.23000         0.106358     -0.118749     -0.010431
     15.14791     19.20684      8.48837         0.022894      0.109028      0.122980
      9.66443      6.83882      3.11493         0.026851      0.008860      0.106581
     10.05119      3.55570      6.86499         0.058078     -0.085344     -0.073720
     10.18038      5.93470      7.34438         0.101758     -0.078858     -0.094127
      9.98639      8.94717      3.65871         0.138916     -0.054613      0.049603
      9.93427      7.70374      7.81685        -0.008725      0.113661     -0.034467
     10.02339     10.01452      8.54004         0.087135      0.153507      0.012036
     12.04601     15.87587      2.34579        -0.020674      0.134547      0.117843
     11.41481     13.73318      2.87236        -0.049721     -0.017215      0.075601
     10.20952     15.04015      6.76885        -0.036472     -0.059298      0.124824
     13.41353     20.28268      1.23048        -0.046921      0.008581     -0.123240
     11.59618     19.26531      5.59510         0.023573     -0.070147     -0.181255
     12.01377      0.19486      5.10312         0.049461      0.093038     -0.064437
     10.41000      9.10010     17.45476        -0.006340      0.134236     -0.080123
     10.54986      7.73546     12.65070         0.009811     -0.077332      0.090191
     10.37495     10.07558     13.21747         0.096409      0.041061     -0.075091
     10.56604     11.37692     17.83661        -0.040633     -0.042368      0.002259
     10.56308     11.85407     13.53041         0.000974      0.064649     -0.113735
     10.79750     14.23190     13.74273         0.004422      0.223298      0.053471
      9.36332     17.70644      0.31925        -0.071994      0.161163     -0.102183
      9.67035     15.82979     20.33741         0.110256     -0.086884     -0.085358
     11.79340     18.11115     17.41224         0.072370      0.056168     -0.117782
      8.72533      0.11057      3.18251         0.032663     -0.148302      0.022936
     11.03924      0.58091     20.18899         0.015215      0.043005     -0.100062
     10.65045      2.49301      0.21245        -0.049922      0.043438      0.048920
      6.86567     10.62746     15.79797         0.144812      0.081206      0.049066
      7.54465      7.35821     19.51194         0.098606     -0.105780     -0.052113
      7.61453      9.73093     20.00178         0.052239     -0.056201     -0.152761
      7.12404     12.81841     16.39079         0.049403     -0.010566      0.040937
      7.37523     11.45079     20.51130         0.006985      0.150706     -0.054521
      7.41793     13.72504      0.03619        -0.005190      0.158931     -0.024145
      9.29855     19.87289     15.70145         0.078267      0.108594      0.154826
      8.67585     17.68533     16.09594         0.057898     -0.024070     -0.058192
      6.42239     18.91209     19.51201         0.095441      0.001347      0.020824
     10.50928      2.97335     14.56000        -0.098195     -0.227638      0.011460
      8.17188      2.01463     18.71763         0.109210     -0.165493     -0.036467
      9.01088      4.16064     18.36442        -0.020668      0.105446      0.121404
      6.78857     12.93386      8.86526         0.119591     -0.002512     -0.079103
      7.23903     11.48011      4.10580        -0.101439     -0.190364      0.061731
      7.35491     13.82270      4.65280        -0.068430     -0.129239      0.039031
      7.00793     15.19081      9.24023         0.114154     -0.053694     -0.065995
      7.42922     15.63033      4.93004        -0.049619      0.007085      0.049248
      7.59692     18.02355      5.17442        -0.104354      0.081611      0.020118
      6.76412      0.32347     13.07112        -0.196462     -0.007530      0.059372
      6.83854     19.67064     11.80052        -0.014596     -0.145358     -0.041964
      8.69437      0.58187      8.63324         0.033406      0.081658     -0.043686
      6.20270      3.91930     15.84171        -0.044999     -0.013037      0.147985
      8.43311      4.33685     11.53133        -0.003277      0.044157     -0.075096
      8.19570      6.23893     12.87064        -0.036319      0.189228      0.007117
      3.85178     14.38757      8.77583         0.153705      0.012411     -0.008581
      4.84031     11.39868     12.63983        -0.025091     -0.121779     -0.153897
      4.80663     13.80336     12.96243         0.133202     -0.082298     -0.069045
      3.73130     16.48013      9.12986         0.141687     -0.018850      0.025325
      5.17196     15.67087     13.16224        -0.023098      0.079377     -0.062394
      5.08957     18.05401     13.68042         0.013942      0.073729     -0.016542
      5.67925      2.37387      7.55093         0.106352     -0.018689      0.058013
      4.82969      0.32153      7.91791         0.089482     -0.102939      0.190245
      3.69542      1.54061     11.83276         0.072572     -0.042740      0.253847
      7.21578      6.45184      6.17438        -0.097990      0.109163     -0.061467
      5.76574      5.84707     10.78201         0.081070     -0.167604     -0.128785
      6.12696      7.98261     10.03363         0.046748      0.062222      0.018783
      2.01470     16.27914      3.34430         0.041468      0.064874     -0.024915
     -0.04260     14.68383     20.33805        -0.088571     -0.039885      0.049325
      0.17147     17.03915     20.73185        -0.062724      0.018986      0.094500
      1.68660     18.72852      3.71763         0.047648     -0.055527     -0.115384
      0.16417     18.76044     20.89722        -0.066190     -0.027552     -0.032173
     -0.16019     -0.11852     20.99783         0.045488      0.017791      0.103580
      2.61392      4.11858      6.87960         0.050412     -0.056043     -0.082079
      2.34508      2.14093      5.81111         0.086272     -0.253849     -0.054155
      0.22645      4.13383      2.67602         0.021920      0.072953     -0.034356
      3.18651      7.73926      9.53507         0.035879     -0.105595     -0.154956
      1.68811      8.20675      4.91060         0.069806     -0.003960      0.048364
      2.44534     10.12352      6.06886         0.064311     -0.020643      0.103678
      3.66980     17.02507     20.49983        -0.103776      0.081661      0.110752
      5.76705     13.89693      2.52079        -0.133321      0.016421     -0.128543
      5.76075     16.24007      2.96989        -0.023848      0.083385      0.052993
      3.63527     19.43007      0.03296         0.012575     -0.056081     -0.006037
      5.76619     17.91346      3.49509        -0.021530     -0.069282      0.071131
      6.06892     20.11901      4.33731        -0.075554      0.160098     -0.043851
      2.26507      5.71288      0.09032        -0.049542     -0.087346     -0.098825
      2.57424      3.42297      0.28727        -0.000710     -0.277902     -0.326352
      5.29269      4.05574      3.52838        -0.008986     -0.025056      0.092023
      0.66081     10.20536      0.61223        -0.151353     -0.073809     -0.058995
      4.77376      8.69935      2.69532         0.024193     -0.056358     -0.063206
      4.01573     10.86889      3.19190         0.015605      0.135134     -0.202125
     20.05197     19.48876     15.48271        -0.059361     -0.036230     -0.037896
     16.57478     17.92741     12.25017        -0.072908     -0.208191     -0.034662
     17.14398     20.28148     12.36276        -0.120570     -0.082821      0.107449
     20.32667      0.33293     15.66441        -0.082449      0.016643      0.043877
     17.07441      0.85944     12.84020        -0.015472      0.115376      0.051750
     17.09731      3.27514     13.22926         0.032887      0.127114      0.003163
      2.24245      6.67504     18.03265         0.065077      0.070185     -0.267043
      1.24976      4.77670     17.16094        -0.144913     -0.034771      0.073282
     18.85293      6.92404     16.72225        -0.317052      0.124951     -0.060174
      4.58163     10.33185     19.81479        -0.238440     -0.077803     -0.002147
      0.02112     10.77076     18.16651         0.210592     -0.126210      0.051073
      1.04061     12.60547     19.12896        -0.095782      0.308640      0.014086
      0.67921     21.20398     12.93863        -0.020977      0.065162      0.133680
      3.33142     18.02376     15.72129        -0.087519     -0.207057      0.017821
      3.42404     20.40180     16.20853         0.037261     -0.033522      0.030863
      1.03870      2.03167     13.28221        -0.118868     -0.079255      0.061695
      3.21199      0.97510     16.88967         0.040198      0.130753     -0.036342
      3.84312      3.29900     17.20757         0.044767      0.136321     -0.070185
     19.95230      8.95876     13.79294        -0.063732      0.075616      0.066490
     20.80935      6.86558     13.50068         0.164804      0.010095      0.147277
      3.34819      8.27561     14.92087         0.132123     -0.131103      0.105934
     17.90955     13.08463     14.04994        -0.143850      0.072149     -0.119371
      1.30963     12.51707     15.30803         0.017518     -0.122657     -0.018149
      0.41496     14.62450     15.41934        -0.125811      0.038276      0.010748
     17.43403      2.41939      7.73469        -0.099468     -0.021268     -0.090445
     15.03604      1.03644      3.57776         0.164010     -0.069879     -0.037401
     15.07262      3.38204      4.21432         0.084681     -0.107905      0.060123
     17.48374      4.72015      8.12238        -0.285538     -0.008958      0.001508
     14.95257      5.09828      4.60003         0.092410      0.015447      0.009068
     15.05561      7.49615      4.75881         0.101673      0.084647      0.020587
     20.11906     10.92513     10.96127        -0.009633      0.081012      0.103252
     19.18024      9.06800     10.00597        -0.166200     -0.122222      0.094435
     16.38270     11.55531      7.94478         0.044870      0.039445     -0.080207
      1.41383     14.51708     12.40526         0.119445     -0.087216      0.007427
     18.22530     15.07352     10.54994        -0.098623     -0.038232      0.043676
     19.32903     16.95429     11.36078         0.112274      0.098534      0.059051
     19.31631      4.53224      5.25163        -0.105342     -0.082992      0.141402
      0.11540      0.90253      7.98983        -0.104960     -0.103432      0.079868
     -0.12549      3.15528      8.95890        -0.048725     -0.034509     -0.066136
     19.25730      6.30834      5.93524        -0.024125      0.018868      0.015086
     -0.36971      5.11116      9.75414        -0.030625      0.149973     -0.145847
      0.23860      7.41567     10.24081        -0.038148      0.146361     -0.126926
     18.39354     13.55632      4.87923         0.037661     -0.007687      0.028530
     18.88031     11.31266      5.13946        -0.043437     -0.149565      0.168226
      0.63487     12.30963      8.01086         0.105574      0.026591      0.168186
     17.46385     17.93536      3.94375        -0.052007      0.051443     -0.023437
     20.16331     16.61002      7.78268        -0.086582     -0.075542     -0.035422
     19.18808     18.72838      7.79095        -0.003677      0.112746      0.063396
     13.88365     19.26961     10.69958         0.050605      0.027512      0.145180
     19.35854     21.15353      3.43575        -0.060547     -0.091710     -0.070127
     12.89735      1.22476      2.66582        -0.045465      0.023279     -0.078922
     13.64686     11.49884      4.56509         0.006095     -0.040344     -0.134791
      9.58320      2.59812      2.76496        -0.050653      0.063667      0.135912
     10.44150     12.79266      5.28187         0.012049     -0.004199     -0.111093
     10.22405      5.12183     16.00857        -0.012392      0.055637      0.363051
     10.83466     15.60813     17.82814        -0.037972     -0.016275      0.129556
      7.06789      6.39839     15.41201         0.010100      0.037806      0.047999
      7.25155     16.66667     18.18572         0.022204     -0.124757     -0.143409
      6.77593      8.88784      7.51736        -0.041648     -0.022708      0.143236
      7.51796     19.41767      9.18111         0.151946     -0.138168     -0.066672
      3.46149     10.20038      8.73972         0.033104     -0.094047      0.103122
      4.08926     20.53625     10.41175        -0.012496     -0.191416     -0.182007
      1.76139     12.18548      1.90271        -0.009124     -0.297870     -0.053200
      1.20050      1.67293      3.35613        -0.003262     -0.062790     -0.106665
      3.56501     12.76747     20.30707        -0.035199     -0.220401     -0.137017
      4.31347      1.98146      1.95395        -0.033317      0.140112     -0.265325
     19.13449     15.43967     14.63454        -0.123834     -0.022819     -0.061491
     19.98654      4.53969     16.09927        -0.072753     -0.104329      0.064331
      0.58597     16.99821     12.61366         0.075964     -0.067949      0.139087
      2.02011      5.96457     14.36212        -0.072604     -0.135536     -0.057618
     17.47703     19.80057      5.92783         0.033380     -0.005316      0.067198
     17.21822      8.94130      8.12983        -0.194542     -0.111751      0.095205
     19.54482      0.53811      4.19848         0.024221      0.088240      0.054708
     20.48698     10.17140      7.06965        -0.039353      0.100339     -0.128755
     12.41566      2.36240      4.68973         0.080847     -0.024249      0.059370
     13.70240      0.97200      0.43550        -0.219210      0.213649      0.339250
     13.20932      9.72547      6.07394         0.042099     -0.116286      0.137084
     13.98705     12.57930      2.46382        -0.128332     -0.350339      0.320696
      9.50484      4.43543      1.27847         0.032973      0.062609     -0.150621
      9.41120      1.45732      4.84472         0.115580     -0.187330     -0.050281
     10.22798     11.80577      3.13959         0.040984      0.015793     -0.135703
     10.17458     12.96159      7.64331         0.116766     -0.321885     -0.642793
     10.15317      6.20344     18.12581         0.168986      0.015692     -1.032221
     10.86713      4.89314     13.70947        -0.310533      0.382645      0.809220
     10.70925     13.88021     19.44225        -0.019866     -0.028184     -0.018648
     11.07337     16.62271     15.70091        -0.092510     -0.222020      0.229875
      6.91322      8.22193     13.91704         0.066637      0.023168      0.112559
      6.81263      5.27318     17.49840         0.254581      0.286864     -0.311526
      7.17970     15.78682     15.98656        -0.015454     -0.072919      0.157802
      7.09598     16.69484     20.55458         0.035390     -0.253116     -0.653235
      6.89335     10.03480      9.59414        -0.012607      0.044122     -0.010810
      7.07003      8.61888      5.18506        -0.022058      0.036282      0.125274
      7.56334     17.70374     10.81970        -0.055815     -0.071791     -0.097357
      7.53143     20.42165      7.04313        -0.055039      0.011337     -0.002342
      3.23067     11.96498      7.20098         0.062591     -0.004635     -0.002328
      3.84419      9.14683     10.86976         0.004160      0.150550     -0.327610
      3.81383     19.43288      8.32403         0.015340     -0.014156      0.236311
      4.32369     20.77869     12.74002        -0.050096     -0.080989     -0.043885
      2.89101     13.24269      3.70233        -0.171209      0.030224     -0.212263
      0.02434     12.00571      0.25723        -0.088863     -0.126191     -0.150952
      2.33347      0.18439      4.82748        -0.072552     -0.040516     -0.034946
      0.05227      2.39275      1.41178         0.112475     -0.019097     -0.052567
      2.94456     14.51563     18.86678         0.046397      0.055948      0.406796
      4.93611     11.65677      0.64195        -0.149489      0.153672     -0.219454
      3.19294      1.19172     -0.00196         0.052500     -0.037465      0.052974
      5.81507      1.85655      3.78813        -0.066323      0.028976     -0.027855
     -0.62666     16.63353     16.02070         0.259980      0.009267      0.175059
     17.12604     15.10084     13.39505         0.476527      0.271199      0.155041
     -0.08061      2.80399     17.16787         0.038042     -0.160622      0.026518
     18.34052      5.59102     14.75005         0.333587     -0.385015      0.177429
     21.03283     18.81104     11.35870        -0.086849      0.103890      0.089075
      2.05082     15.83154     14.09531        -0.316521      0.347274     -0.233780
      0.47952      4.89737     12.91132        -0.019054     -0.003404      0.020444
      3.93256      6.12430     15.77012        -0.476036     -0.078437     -0.085582
     18.22980     20.73536      7.98800        -0.125826      0.032910     -0.194770
     16.07200     19.56740      4.02675         0.202328      0.206197      0.232348
     17.91434      7.25283      9.65171        -0.131042     -0.037810     -0.090944
     16.24341      9.91504      6.20672        -0.044654     -0.036680      0.102824
     18.57589      2.44794      3.25428         0.062633     -0.002885      0.073975
     20.65832     20.30223      5.61437        -0.006592      0.178123     -0.082910
     19.13800      9.20171      5.38423        -0.527626      0.135817     -0.718365
      0.56052     10.23121      9.01331         0.894994      0.890299      0.900797
     14.02549     17.39255      5.44410         0.124091     -0.043510      0.102448
     15.99160     16.43112      5.71990        -0.117655     -0.018374     -0.079942
     14.83596     16.11370      3.90340        -0.108502     -0.075680     -0.032255
     11.84340     15.31071     11.48466        -0.095671     -0.021634      0.086332
     11.42990     14.47135      9.52421         0.004389      0.028682     -0.091945
     13.20935     13.83463     10.65807        -0.007552      0.009468      0.101701
     11.96843     17.96253      7.16289        -0.134595      0.072079     -0.139297
      9.98034     18.57092      6.43099         0.046488     -0.083978     -0.057987
     10.20304     16.85045      7.73083        -0.008667     -0.028103      0.036859
     13.38857     18.52928      0.14794         0.069180      0.132836     -0.044969
     14.21528     17.10934      1.56186        -0.063655     -0.098215      0.143210
     12.15542     16.89268      0.82065         0.157148      0.257711      0.029994
     11.16006      0.25911     18.31340         0.149920     -0.141054      0.081425
     13.02826     -0.54458     19.18051        -0.244178      0.017289      0.155241
     12.32942     20.07221     17.22218         0.111224     -0.039681      0.031274
      8.36480     19.31556      3.35746        -0.090476      0.033602      0.155578
      7.67916     18.71439      1.36505         0.065490     -0.088559     -0.035356
      9.56988     17.96323      2.20237        -0.007247      0.090911      0.062206
      7.57574      0.87373     20.26549         0.102243     -0.019930     -0.162252
      5.88543      1.03904     18.86515         0.130284      0.062500     -0.124217
      5.96515     20.70490     20.34572        -0.060051      0.053517     -0.097877
     10.30539      1.26480     13.38190         0.144358      0.072048      0.162481
     11.25915     -0.10834     14.80620        -0.212877      0.182484      0.077416
      9.26438     20.75697     14.00536        -0.027486      0.287636      0.281056
      8.74598      3.94090      9.55426        -0.013291     -0.046638      0.073333
     10.32186      2.99080     10.75519        -0.007877      0.109182      0.223751
      9.92091      2.31209      8.73086        -0.029511     -0.063026      0.074843
      6.05771      1.91086     16.18734        -0.007033      0.175851      0.514141
      5.08488      1.24228     14.39661         0.093801     -0.028162     -0.223169
      7.08599      0.53081     14.89564        -0.252843      0.050440     -0.019489
      4.71435      5.09513     12.09273        -0.031200      0.132378     -0.102795
      2.85742      3.99506     11.72355        -0.007222      0.087821     -0.177259
      4.38708      3.19482     13.03411         0.047880      0.132142     -0.154406
      7.26114      4.46523      5.37731         0.105570      0.286413     -0.079248
      7.50301      2.95213      6.90281        -0.042580     -0.062941      0.016609
      5.49595      3.46411      6.08428         0.185032      0.088790      0.119379
     -0.59962      7.25058      4.52928         0.057574      0.074200      0.152636
      0.87982      7.32416      2.97403        -0.125687     -0.057818      0.269603
     -0.86653      5.96873      2.81957         0.007340      0.040534      0.106923
      3.18200      5.74952      9.89693        -0.278094      0.088365     -0.086126
      1.73827      4.55338      8.81259         0.133196      0.071089     -0.104834
      3.78188      4.75310      8.06694        -0.123028      0.051614     -0.045663
      6.15851      6.92852      3.57282        -0.004588     -0.090760     -0.133386
      4.21694      7.56890      4.41033         0.028716     -0.063550     -0.060768
      5.04806      5.69464      5.00742        -0.125611     -0.114846     -0.001552
     -0.11136      8.55877     20.87841         0.140107      0.234411     -0.080936
      1.51478      7.18267     -0.92738        -0.196706     -0.037870      0.093168
      0.13584      6.74354      0.68916         0.167740     -0.517484      0.263597
     19.43933      9.42887     19.16054         0.088116      0.211214      0.091176
     19.65747     10.30363     17.15349        -0.082367     -0.050973     -0.051986
     18.19452      8.73403     17.53579        -0.133150      0.039999     -0.126713
      4.85335      8.23674     20.00258         0.175395      0.277348      0.171622
      3.70539      6.82382     18.91673         0.111479      0.041125      0.081497
      4.75945      8.36780     17.79982        -0.105503     -0.042077     -0.062028
      3.26619     11.53427     14.23055        -0.088272      0.125233      0.146501
      2.61928     11.50508     16.32856         0.003922     -0.183442     -0.150325
      4.05614     10.05420     15.62013        -0.064622      0.110550     -0.087246
     17.28588     11.25946     13.30222        -0.074839      0.095515      0.066665
     18.80733      9.87417     12.65421        -0.166103      0.232316      0.184563
     18.04743      9.79146     14.71843         0.101899     -0.015076      0.032662
     16.21718     14.17685      9.86799         0.202673      0.065221     -0.135755
     17.82303     14.92629      8.54504         0.057675     -0.087634     -0.017001
     16.28552     13.65531      7.73697         0.058545     -0.002110     -0.121828
      1.81002     12.54486     12.33121         0.108896      0.155831      0.009062
      0.38400     11.07191     11.78239         0.104281      0.186297     -0.085698
      1.40623     12.23703     10.21481        -0.058709     -0.046932      0.071302
      1.29149     15.72059      6.89380        -0.227105      0.021045     -0.084408
      0.17271     15.66267      8.78896        -0.030343     -0.097530     -0.081450
      1.65904     14.16943      8.37943        -0.073506     -0.030928     -0.270045
     17.62265     16.26317      2.59128         0.164101      0.159516     -0.035939
     19.14345     14.77013      3.04997         0.094486      0.057844      0.009618
     17.12455     14.62861      3.92347         0.108468      0.009537     -0.074101
 -----------------------------------------------------------------------------------
    total drift:                                0.028101      0.008442     -0.015981


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4573.9388490069 eV

  energy  without entropy=    -4574.0901186290  energy(sigma->0) =    -4573.98927221
 
 d Force = 0.5186188E+00[ 0.183E+00, 0.854E+00]  d Energy = 0.5188314E+00-0.213E-03
 d Force = 0.7868236E+03[ 0.785E+03, 0.789E+03]  d Ewald  = 0.7868269E+03-0.328E-02


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.518831  1 .order   -0.518619   -0.854002   -0.183236
  (g-gl).g = 0.295E+01      g.g   = 0.289E+01  gl.gl    = 0.334E+01
 g(Force)  = 0.289E+01   g(Stress)= 0.000E+00 ortho     =-0.197E-01
 gamma     =   0.88406
 trial     =   0.29711
 opt step  =   0.37828  (harmonic =   0.37828) maximal distance =0.05179241
 next E    = -4573.963664   (d E  =  -0.54365)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   69(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.4651022E-01  (-0.3566660E+01)
 number of electron    2497.9999940 magnetization 
 augmentation part      162.6441708 magnetization 

  free energy =  -0.457389233003E+04  energy without entropy=  -0.457404379351E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   69(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3512
 total energy-change (2. order) :-0.7269566E-01  (-0.8889931E-01)
 number of electron    2497.9999940 magnetization 
 augmentation part      162.6537181 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8768
  0.8768

  free energy =  -0.457396502569E+04  energy without entropy=  -0.457411631468E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   69(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3704
 total energy-change (2. order) : 0.2410169E-02  (-0.1759372E-02)
 number of electron    2497.9999940 magnetization 
 augmentation part      162.6475298 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4367
  1.0842  1.7892

  free energy =  -0.457396261552E+04  energy without entropy=  -0.457411408745E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   69(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3568
 total energy-change (2. order) :-0.7400264E-03  (-0.1551646E-02)
 number of electron    2497.9999940 magnetization 
 augmentation part      162.6447110 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2868
  2.2030  0.8287  0.8287

  free energy =  -0.457396335555E+04  energy without entropy=  -0.457411457676E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   69(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3672
 total energy-change (2. order) :-0.1181941E-03  (-0.3135873E-03)
 number of electron    2497.9999940 magnetization 
 augmentation part      162.6457376 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3346
  2.3968  1.0240  1.0240  0.8938

  free energy =  -0.457396347374E+04  energy without entropy=  -0.457411488949E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   69(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) : 0.1292678E-03  (-0.1820188E-03)
 number of electron    2497.9999940 magnetization 
 augmentation part      162.6453649 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2640
  2.3829  0.9505  0.9505  1.0179  1.0179

  free energy =  -0.457396334447E+04  energy without entropy=  -0.457411458587E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   69(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3528
 total energy-change (2. order) :-0.1115262E-04  (-0.2981631E-04)
 number of electron    2497.9999940 magnetization 
 augmentation part      162.6457797 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2315
  2.3852  0.9806  0.9806  1.1927  1.1927  0.6573

  free energy =  -0.457396335563E+04  energy without entropy=  -0.457411482861E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   69(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3192
 total energy-change (2. order) : 0.5429349E-05  (-0.4551813E-05)
 number of electron    2497.9999940 magnetization 
 augmentation part      162.6457797 magnetization 

  free energy =  -0.457396335020E+04  energy without entropy=  -0.457411469139E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0765       2 -56.1288       3 -56.0296       4 -55.8504       5 -55.8325
       6 -56.2949       7 -58.1521       8 -58.2533       9 -56.2602      10 -55.9396
      11 -56.0264      12 -55.7885      13 -55.8088      14 -56.0129      15 -58.1072
      16 -58.1172      17 -56.3581      18 -54.9765      19 -54.8421      20 -55.0846
      21 -55.6416      22 -55.5814      23 -55.5904      24 -55.5822      25 -54.9794
      26 -54.7028      27 -54.8909      28 -54.9255      29 -60.3633      30 -60.3553
      31 -55.6601      32 -55.7969      33 -55.7082      34 -55.3606      35 -55.4988
      36 -55.9886      37 -57.8159      38 -57.9937      39 -56.0810      40 -55.7822
      41 -55.9064      42 -55.6828      43 -55.7329      44 -55.9138      45 -58.0783
      46 -58.1514      47 -56.4496      48 -55.1181      49 -54.9145      50 -55.2648
      51 -55.8798      52 -55.8294      53 -55.7507      54 -55.7452      55 -55.0726
      56 -54.8478      57 -54.9895      58 -56.3704      59 -60.3516      60 -60.5961
      61 -56.0103      62 -56.0572      63 -55.9334      64 -55.8020      65 -55.7719
      66 -56.2488      67 -58.1208      68 -58.1617      69 -56.2031      70 -55.8763
      71 -55.9885      72 -55.6853      73 -55.6844      74 -55.9446      75 -58.0521
      76 -58.1175      77 -56.3724      78 -55.0642      79 -54.8855      80 -55.1905
      81 -55.8276      82 -55.8117      83 -55.8423      84 -55.8867      85 -55.2463
      86 -54.9866      87 -55.1686      88 -56.3968      89 -60.6598      90 -60.4091
      91 -55.7567      92 -55.8729      93 -55.7776      94 -55.5252      95 -55.5993
      96 -56.1114      97 -57.9112      98 -58.0333      99 -56.2116     100 -55.9143
     101 -56.0634     102 -55.7300     103 -55.7860     104 -56.0159     105 -58.1231
     106 -58.2157     107 -56.4378     108 -55.1381     109 -54.9582     110 -55.3818
     111 -55.9370     112 -55.8639     113 -55.8049     114 -55.8465     115 -55.1019
     116 -54.9325     117 -55.0490     118 -56.3658     119 -60.4325     120 -60.6077
     121 -55.9759     122 -55.9991     123 -55.8626     124 -55.7806     125 -55.7748
     126 -56.1949     127 -58.0752     128 -58.1961     129 -56.1501     130 -55.7879
     131 -55.8997     132 -55.6910     133 -55.6071     134 -55.8231     135 -57.9104
     136 -58.0546     137 -56.3568     138 -55.0026     139 -54.8350     140 -55.2602
     141 -55.8643     142 -55.7861     143 -55.8766     144 -55.8591     145 -55.2019
     146 -55.0686     147 -55.2170     148 -56.4191     149 -60.4866     150 -60.5643
     151 -55.6737     152 -55.7033     153 -55.5357     154 -55.4182     155 -55.4610
     156 -55.9219     157 -57.9818     158 -57.8974     159 -56.0216     160 -55.7617
     161 -55.9256     162 -55.5566     163 -55.5935     164 -55.8150     165 -57.9433
     166 -58.1024     167 -56.3931     168 -55.0236     169 -54.7847     170 -55.2314
     171 -55.8667     172 -55.8661     173 -55.8444     174 -55.7852     175 -55.3157
     176 -54.8987     177 -55.0484     178 -56.4906     179 -60.4622     180 -60.5872
     181 -55.8938     182 -56.0780     183 -55.9360     184 -55.6671     185 -55.6816
     186 -56.2446     187 -58.0542     188 -58.2291     189 -56.2637     190 -55.8593
     191 -56.0170     192 -55.7452     193 -55.7333     194 -55.9533     195 -58.0764
     196 -58.1980     197 -56.5003     198 -55.0604     199 -54.9141     200 -55.2762
     201 -55.8747     202 -55.8758     203 -55.9103     204 -55.9065     205 -55.1639
     206 -55.2207     207 -55.2085     208 -56.4855     209 -60.7322     210 -60.4980
     211 -55.9734     212 -56.0534     213 -55.9395     214 -55.7799     215 -55.7212
     216 -56.2549     217 -58.1434     218 -58.1600     219 -56.1223     220 -55.8020
     221 -55.9182     222 -55.5534     223 -55.4898     224 -55.8165     225 -57.9519
     226 -58.1275     227 -56.5102     228 -55.0716     229 -54.9564     230 -55.2663
     231 -55.7843     232 -55.8269     233 -55.7987     234 -55.7275     235 -54.9878
     236 -55.0831     237 -55.2071     238 -56.4513     239 -60.3641     240 -60.3873
     241 -55.9916     242 -56.0153     243 -55.8973     244 -55.7565     245 -55.7556
     246 -56.1930     247 -58.0695     248 -58.1455     249 -56.1758     250 -55.8610
     251 -55.9829     252 -55.7379     253 -55.7305     254 -55.9248     255 -57.9758
     256 -58.0711     257 -56.3136     258 -55.0155     259 -54.7761     260 -55.1908
     261 -55.7757     262 -55.7686     263 -55.9063     264 -55.9316     265 -55.3315
     266 -54.9740     267 -55.1624     268 -56.3970     269 -60.6152     270 -60.3567
     271 -55.8948     272 -55.9623     273 -55.8205     274 -55.6899     275 -55.6447
     276 -56.0876     277 -58.0884     278 -58.1366     279 -55.9524     280 -55.6523
     281 -55.7702     282 -55.5249     283 -55.5256     284 -55.8111     285 -58.0607
     286 -57.9758     287 -56.4015     288 -55.0358     289 -54.8642     290 -55.2188
     291 -55.8587     292 -55.7989     293 -55.8278     294 -55.8488     295 -55.2141
     296 -54.9335     297 -55.0430     298 -56.4318     299 -60.4811     300 -60.5751
     301 -55.8945     302 -56.0279     303 -55.9250     304 -55.6300     305 -55.6739
     306 -56.1748     307 -58.0635     308 -58.2535     309 -56.1947     310 -55.8644
     311 -55.9782     312 -55.7000     313 -55.6686     314 -55.8951     315 -57.9993
     316 -58.0966     317 -56.3610     318 -54.9630     319 -54.7541     320 -55.2382
     321 -55.7725     322 -55.7032     323 -55.8553     324 -55.9092     325 -55.2315
     326 -55.0559     327 -55.2300     328 -56.4433     329 -60.5912     330 -60.4209
     331 -55.7556     332 -55.7883     333 -55.6642     334 -55.5938     335 -55.5746
     336 -56.0159     337 -57.9565     338 -57.9547     339 -55.9005     340 -55.5785
     341 -55.7140     342 -55.5017     343 -55.5091     344 -55.7199     345 -57.9975
     346 -57.9734     347 -56.4603     348 -55.0103     349 -54.9346     350 -55.2813
     351 -55.8564     352 -55.7873     353 -55.7550     354 -55.7567     355 -55.2008
     356 -54.8936     357 -54.9908     358 -56.4274     359 -60.4668     360 -60.5588
     361 -39.0539     362 -38.7883     363 -38.9596     364 -39.0040     365 -39.0067
     366 -38.7647     367 -38.0956     368 -38.0203     369 -38.0632     370 -38.1376
     371 -38.1341     372 -38.1908     373 -38.6765     374 -38.2984     375 -38.6744
     376 -38.7809     377 -38.8188     378 -38.7631     379 -38.1107     380 -38.0961
     381 -38.2754     382 -38.0537     383 -38.2127     384 -37.9916     385 -38.8410
     386 -38.7791     387 -38.9510     388 -38.8470     389 -38.8801     390 -38.5811
     391 -38.1851     392 -38.2239     393 -38.1952     394 -38.1878     395 -38.2348
     396 -38.2932     397 -38.7338     398 -38.4660     399 -38.7684     400 -38.8563
     401 -38.8103     402 -38.7849     403 -38.1666     404 -38.1613     405 -38.4190
     406 -37.9960     407 -38.1038     408 -38.0075     409 -38.7196     410 -38.7801
     411 -38.9606     412 -38.6987     413 -38.9186     414 -38.6445     415 -38.2228
     416 -38.2267     417 -38.1842     418 -38.2267     419 -38.2883     420 -38.3383
     421 -38.5408     422 -38.3418     423 -38.5652     424 -38.6998     425 -38.5848
     426 -38.6304     427 -38.2228     428 -38.0036     429 -38.3719     430 -38.2689
     431 -38.0525     432 -38.0029     433 -38.7637     434 -38.6971     435 -38.9029
     436 -38.6539     437 -38.9635     438 -38.6651     439 -38.4098     440 -38.1367
     441 -38.1735     442 -38.1436     443 -38.2360     444 -38.0955     445 -38.8286
     446 -38.7939     447 -38.9460     448 -38.7055     449 -38.8222     450 -38.3592
     451 -38.1138     452 -38.0695     453 -38.1576     454 -38.0116     455 -38.1761
     456 -38.1696     457 -38.8905     458 -38.7242     459 -38.8883     460 -38.8762
     461 -38.8879     462 -38.7129     463 -38.1500     464 -38.2396     465 -38.2750
     466 -38.3888     467 -38.0527     468 -38.3475     469 -38.8245     470 -38.7397
     471 -38.7565     472 -38.7374     473 -38.5739     474 -38.4761     475 -38.2410
     476 -38.0139     477 -38.2558     478 -38.1908     479 -38.1787     480 -37.9719
     481 -38.8143     482 -38.7305     483 -38.8949     484 -38.8052     485 -38.9395
     486 -38.7751     487 -38.1572     488 -38.1696     489 -38.2280     490 -38.3350
     491 -38.2587     492 -38.3709     493 -38.7550     494 -38.5535     495 -38.6266
     496 -38.7296     497 -38.4763     498 -38.4734     499 -38.1687     500 -37.9695
     501 -38.2930     502 -38.1575     503 -38.1132     504 -37.9767     505 -38.2576
     506 -41.1642     507 -71.6975     508 -71.6131     509 -71.3615     510 -71.6104
     511 -71.6502     512 -71.5407     513 -71.4195     514 -71.5982     515 -71.5746
     516 -71.4267     517 -71.4441     518 -71.5190     519 -71.5570     520 -71.6182
     521 -71.5994     522 -71.4138     523 -71.5521     524 -71.4603     525 -71.5949
     526 -71.4444     527 -71.6582     528 -71.4988     529 -71.1921     530 -71.4169
     531 -76.9278     532 -76.7714     533 -76.7997     534 -76.7425     535 -76.6534
     536 -76.5356     537 -76.8570     538 -76.6845     539 -76.7349     540 -76.6962
     541 -76.7885     542 -76.6682     543 -76.6854     544 -76.5935     545 -76.8855
     546 -76.7116     547 -76.8665     548 -76.7497     549 -76.7349     550 -76.5836
     551 -76.5534     552 -76.6732     553 -76.7192     554 -76.6127     555 -76.8333
     556 -76.8212     557 -76.8620     558 -76.7591     559 -76.7464     560 -76.8307
     561 -76.7899     562 -76.6106     563 -76.8259     564 -76.6771     565 -76.7493
     566 -76.5883     567 -76.7870     568 -76.7384     569 -76.6313     570 -76.7438
     571 -76.9089     572 -76.7199     573 -76.7835     574 -76.6740     575 -76.6090
     576 -76.5935     577 -76.7294     578 -76.7971     579 -82.2926     580 -82.2728
     581 -82.3158     582 -82.3335     583 -82.2813     584 -82.2360     585 -82.4256
     586 -82.5279     587 -82.5019     588 -82.2306     589 -82.1388     590 -82.2383
     591 -82.3322     592 -82.2013     593 -82.2780     594 -82.7019     595 -82.5336
     596 -82.5627     597 -82.5039     598 -82.4496     599 -82.5491     600 -82.2777
     601 -82.0560     602 -82.2621     603 -82.5369     604 -82.4109     605 -82.4803
     606 -82.4667     607 -82.2873     608 -82.3558     609 -82.7801     610 -82.3338
     611 -82.3034     612 -82.4647     613 -82.3578     614 -82.1964     615 -82.6137
     616 -82.4079     617 -82.3853     618 -82.6597     619 -82.7343     620 -82.6966
     621 -82.1645     622 -82.3566     623 -82.4082     624 -82.2332     625 -82.2724
     626 -82.3265     627 -82.1554     628 -82.2906     629 -82.3085     630 -82.4897
     631 -82.5644     632 -82.4347     633 -82.4848     634 -82.4859     635 -82.4611
     636 -82.3769     637 -82.3574     638 -82.2738     639 -82.1927     640 -82.4087
     641 -82.3978     642 -82.4145     643 -82.5313     644 -82.4568     645 -82.4224
     646 -82.4368     647 -82.5083     648 -82.3740     649 -82.3593     650 -82.2989
 
 
 
 E-fermi :  -1.4686     XC(G=0):  -6.5150     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.1032      2.00000
      2     -28.9449      2.00000
      3     -28.9214      2.00000
      4     -28.9068      2.00000
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     10     -28.7775      2.00000
     11     -28.7749      2.00000
     12     -28.7721      2.00000
     13     -28.7585      2.00000
     14     -28.7298      2.00000
     15     -28.6889      2.00000
     16     -28.6704      2.00000
     17     -28.6686      2.00000
     18     -28.6574      2.00000
     19     -28.6219      2.00000
     20     -28.5858      2.00000
     21     -28.5818      2.00000
     22     -28.5808      2.00000
     23     -28.5444      2.00000
     24     -28.4868      2.00000
     25     -26.8051      2.00000
     26     -26.7565      2.00000
     27     -26.6876      2.00000
     28     -26.6849      2.00000
     29     -26.6321      2.00000
     30     -26.6078      2.00000
     31     -26.5958      2.00000
     32     -26.5857      2.00000
     33     -26.5331      2.00000
     34     -26.5306      2.00000
     35     -26.5243      2.00000
     36     -26.5206      2.00000
     37     -26.5162      2.00000
     38     -26.5157      2.00000
     39     -26.5053      2.00000
     40     -26.4993      2.00000
     41     -26.4941      2.00000
     42     -26.4848      2.00000
     43     -26.4778      2.00000
     44     -26.4608      2.00000
     45     -26.4594      2.00000
     46     -26.4497      2.00000
     47     -26.4344      2.00000
     48     -26.4309      2.00000
     49     -26.4234      2.00000
     50     -26.4081      2.00000
     51     -26.4065      2.00000
     52     -26.3877      2.00000
     53     -26.3722      2.00000
     54     -26.3613      2.00000
     55     -26.3608      2.00000
     56     -26.3491      2.00000
     57     -26.3404      2.00000
     58     -26.3332      2.00000
     59     -26.3318      2.00000
     60     -26.3223      2.00000
     61     -26.3098      2.00000
     62     -26.2996      2.00000
     63     -26.2987      2.00000
     64     -26.2865      2.00000
     65     -26.2837      2.00000
     66     -26.2700      2.00000
     67     -26.2476      2.00000
     68     -26.2305      2.00000
     69     -26.2303      2.00000
     70     -26.2255      2.00000
     71     -26.2218      2.00000
     72     -26.0859      2.00000
     73     -23.3869      2.00000
     74     -23.2419      2.00000
     75     -23.1911      2.00000
     76     -23.1634      2.00000
     77     -23.1595      2.00000
     78     -23.1557      2.00000
     79     -23.1478      2.00000
     80     -23.1371      2.00000
     81     -23.1162      2.00000
     82     -23.1062      2.00000
     83     -23.0995      2.00000
     84     -23.0951      2.00000
     85     -23.0896      2.00000
     86     -23.0712      2.00000
     87     -23.0494      2.00000
     88     -23.0307      2.00000
     89     -23.0195      2.00000
     90     -22.9866      2.00000
     91     -22.9826      2.00000
     92     -22.9669      2.00000
     93     -22.9628      2.00000
     94     -22.9612      2.00000
     95     -22.9582      2.00000
     96     -22.9255      2.00000
     97     -22.9097      2.00000
     98     -22.7770      2.00000
     99     -22.7732      2.00000
    100     -22.7700      2.00000
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    109     -22.6157      2.00000
    110     -22.6107      2.00000
    111     -22.6088      2.00000
    112     -22.6064      2.00000
    113     -22.5750      2.00000
    114     -22.5605      2.00000
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    117     -22.5243      2.00000
    118     -22.5176      2.00000
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    120     -22.4345      2.00000
    121     -20.4798      2.00000
    122     -20.3948      2.00000
    123     -20.3893      2.00000
    124     -20.3759      2.00000
    125     -20.3758      2.00000
    126     -20.3543      2.00000
    127     -20.3520      2.00000
    128     -20.3349      2.00000
    129     -20.3272      2.00000
    130     -20.3157      2.00000
    131     -20.3113      2.00000
    132     -20.2853      2.00000
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    135     -20.2467      2.00000
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    138     -20.2255      2.00000
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    140     -20.1946      2.00000
    141     -20.1637      2.00000
    142     -20.1484      2.00000
    143     -20.0902      2.00000
    144     -19.9180      2.00000
    145     -18.6919      2.00000
    146     -18.5516      2.00000
    147     -18.5469      2.00000
    148     -18.5370      2.00000
    149     -18.5159      2.00000
    150     -18.4916      2.00000
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    152     -18.4736      2.00000
    153     -18.4546      2.00000
    154     -18.4152      2.00000
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    156     -18.3790      2.00000
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    186     -17.5261      2.00000
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    188     -17.5043      2.00000
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    190     -17.4720      2.00000
    191     -17.4491      2.00000
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    194     -16.7171      2.00000
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    199     -16.6091      2.00000
    200     -16.5815      2.00000
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    203     -16.4943      2.00000
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   1568       6.2016      0.00000
   1569       6.2035      0.00000
   1570       6.2113      0.00000
   1571       6.2220      0.00000
   1572       6.2302      0.00000
   1573       6.2384      0.00000
   1574       6.2443      0.00000
   1575       6.2475      0.00000
   1576       6.2726      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.090  13.415  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.415  17.835  -0.001   0.002  -0.000   0.002  -0.006   0.000
 -0.001  -0.001  -4.235   0.003   0.001   8.283  -0.005  -0.001
  0.001   0.002   0.003  -4.235   0.001  -0.005   8.282  -0.001
 -0.000  -0.000   0.001   0.001  -4.228  -0.001  -0.001   8.273
  0.002   0.002   8.283  -0.005  -0.001 -18.331   0.007   0.001
 -0.004  -0.006  -0.005   8.282  -0.001   0.007 -18.326  -0.000
  0.000   0.000  -0.001  -0.001   8.273   0.001  -0.000 -18.320
 total augmentation occupancy for first ion, spin component:           1
  8.467  -3.814   0.177   0.153  -0.043   0.023   0.029  -0.007
 -3.814   1.791  -0.093  -0.103   0.025  -0.010  -0.017   0.004
  0.177  -0.093   1.784  -0.060  -0.040   0.169  -0.012  -0.007
  0.153  -0.103  -0.060   1.897  -0.091  -0.012   0.177  -0.012
 -0.043   0.025  -0.040  -0.091   1.228  -0.008  -0.012   0.081
  0.023  -0.010   0.169  -0.012  -0.008   0.018  -0.002  -0.001
  0.029  -0.017  -0.012   0.177  -0.012  -0.002   0.018  -0.002
 -0.007   0.004  -0.007  -0.012   0.081  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -50073.88273 89383.05055 22161.82671-10321.71797  6324.92503 19291.30399
  Hartree  5581.13993116384.64185 60024.69132-10778.83589  4303.48256 13533.18565
  E(xc)  -10734.85793-10588.19643-10629.37878     2.90811     8.10053    33.37984
  Local   11067.16102************************ 21101.34989-10649.38191-32220.37552
  n-local -5844.35864 -5980.51195 -6035.02306     4.04100    17.11497   -65.20656
  augment  1492.79451  1535.98923  1486.54890     4.65023    12.48341    -3.54152
  Kinetic 45488.51246 43270.27552 43644.15766   -29.98386   -67.82681  -576.92586
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -115.6326669   -390.2278400   -160.6390269    -17.5884823    -51.1022211     -8.1799825
  in kB      -19.2826728    -65.0736158    -26.7878435     -2.9330202     -8.5217044     -1.3640776
  external PRESSURE =     -37.0480441 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.228E+03 -.108E+03 0.248E+03   0.228E+03 0.108E+03 -.249E+03   -.918E-01 -.381E+00 0.149E+01   0.150E-02 -.196E-03 0.576E-03
   -.187E+03 -.134E+03 0.616E+02   0.187E+03 0.136E+03 -.613E+02   0.179E+00 -.118E+01 -.219E+00   0.859E-03 0.302E-04 0.629E-03
   -.156E+03 -.126E+03 0.624E+01   0.155E+03 0.127E+03 -.457E+01   0.393E+00 -.113E+01 -.146E+01   0.927E-03 -.105E-03 0.320E-03
   -.215E+03 -.936E+02 0.333E+03   0.215E+03 0.936E+02 -.336E+03   -.347E+00 0.193E+00 0.234E+01   0.241E-02 0.495E-04 0.293E-03
   -.162E+03 -.145E+03 0.299E+03   0.162E+03 0.145E+03 -.300E+03   0.737E-01 -.665E+00 0.112E+01   0.241E-02 0.267E-03 0.485E-03
   -.139E+03 -.111E+03 0.166E+03   0.139E+03 0.111E+03 -.166E+03   0.199E+00 -.248E+00 0.158E+00   0.152E-02 0.285E-03 0.551E-03
   -.228E+03 -.127E+03 0.178E+03   0.228E+03 0.131E+03 -.179E+03   0.669E+00 -.433E+01 0.967E+00   0.847E-03 0.332E-03 0.615E-03
   -.182E+03 -.106E+03 0.325E+02   0.182E+03 0.110E+03 -.347E+02   -.506E+00 -.414E+01 0.205E+01   -.413E-04 0.353E-04 0.489E-03
   -.100E+03 0.576E+01 0.194E+03   0.100E+03 -.577E+01 -.194E+03   0.904E-01 -.811E-01 0.226E+00   0.131E-02 0.573E-03 0.182E-03
   -.790E+02 0.882E+02 0.617E+02   0.785E+02 -.899E+02 -.605E+02   0.513E+00 0.144E+01 -.106E+01   0.106E-02 0.769E-04 -.551E-04
   -.875E+02 0.104E+03 0.133E+03   0.873E+02 -.105E+03 -.133E+03   0.108E+00 0.103E+01 0.108E+00   0.984E-03 -.199E-03 -.727E-03
   -.101E+03 -.343E+01 0.329E+03   0.101E+03 0.322E+01 -.331E+03   -.138E+00 0.156E+00 0.122E+01   0.146E-02 0.107E-02 -.285E-03
   -.107E+03 -.464E+02 0.357E+03   0.107E+03 0.475E+02 -.359E+03   -.162E+00 -.109E+01 0.215E+01   0.134E-02 0.110E-02 -.116E-02
   -.109E+03 0.179E+02 0.302E+03   0.109E+03 -.179E+02 -.303E+03   -.134E+00 -.322E-01 0.148E+01   0.126E-02 0.749E-03 -.973E-03
   -.991E+02 0.103E+03 0.265E+03   0.985E+02 -.107E+03 -.267E+03   0.667E+00 0.386E+01 0.229E+01   0.159E-02 0.580E-03 -.196E-02
   -.836E+02 0.115E+03 0.103E+03   0.836E+02 -.118E+03 -.107E+03   0.691E-01 0.306E+01 0.345E+01   0.116E-02 -.369E-06 -.123E-02
   -.687E+02 0.106E+03 0.508E+02   0.692E+02 -.101E+03 -.464E+02   -.584E+00 -.451E+01 -.406E+01   0.841E-03 -.133E-02 -.124E-02
   -.168E+01 0.204E+03 -.148E+03   0.114E+01 -.206E+03 0.150E+03   0.411E+00 0.155E+01 -.197E+01   0.541E-03 -.177E-02 0.352E-03
   0.334E+02 0.153E+03 -.196E+03   -.337E+02 -.153E+03 0.198E+03   0.190E+00 0.971E-01 -.188E+01   0.707E-03 -.122E-02 0.108E-02
   -.644E+02 0.106E+03 0.179E+03   0.654E+02 -.105E+03 -.182E+03   -.101E+01 -.104E+01 0.312E+01   0.772E-03 -.849E-03 -.133E-02
   0.337E+01 0.663E+02 0.251E+01   -.453E+01 -.677E+02 -.121E+01   0.120E+01 0.147E+01 -.129E+01   0.376E-03 -.123E-02 -.923E-03
   0.131E+02 0.922E+01 -.124E+03   -.131E+02 -.929E+01 0.125E+03   0.671E-01 0.150E+00 -.906E+00   0.510E-03 -.737E-03 0.524E-03
   -.245E+02 -.353E+02 -.173E+03   0.248E+02 0.355E+02 0.172E+03   -.287E+00 -.194E+00 0.465E+00   0.403E-03 -.664E-03 0.113E-02
   -.349E+02 -.766E+02 -.231E+03   0.360E+02 0.783E+02 0.230E+03   -.116E+01 -.178E+01 0.913E+00   -.478E-05 -.527E-03 0.125E-02
   -.170E+02 -.159E+03 -.336E+03   0.164E+02 0.160E+03 0.338E+03   0.522E+00 -.778E+00 -.185E+01   0.322E-03 -.331E-04 0.686E-03
   -.102E+03 -.161E+03 -.157E+03   0.103E+03 0.161E+03 0.155E+03   -.114E+01 -.707E-01 0.153E+01   0.721E-03 -.290E-05 0.177E-02
   -.899E+02 -.279E+03 -.188E+03   0.902E+02 0.280E+03 0.188E+03   -.186E+00 -.895E+00 0.322E+00   0.856E-03 0.811E-05 0.183E-02
   -.382E+02 -.264E+03 -.287E+03   0.381E+02 0.266E+03 0.287E+03   0.741E-01 -.133E+01 -.547E+00   0.932E-03 0.125E-04 0.719E-03
   -.445E+02 -.244E+02 -.218E+03   0.505E+02 0.323E+02 0.213E+03   -.592E+01 -.787E+01 0.492E+01   0.419E-03 -.468E-03 0.106E-02
   -.164E+01 0.516E+02 0.215E+02   -.324E+01 -.602E+02 -.165E+02   0.481E+01 0.860E+01 -.480E+01   -.944E-03 -.376E-03 -.207E-02
   -.196E+03 -.248E+02 -.440E+02   0.196E+03 0.248E+02 0.455E+02   -.279E+00 -.983E-01 -.155E+01   -.101E-02 -.102E-02 0.855E-03
   -.130E+03 -.145E+03 0.137E+03   0.130E+03 0.147E+03 -.136E+03   0.763E-01 -.135E+01 -.260E+00   -.131E-02 -.803E-03 0.102E-02
   -.140E+03 -.158E+03 0.187E+03   0.140E+03 0.160E+03 -.188E+03   0.233E+00 -.160E+01 0.976E+00   -.142E-02 -.275E-03 0.832E-03
   -.293E+03 0.992E+01 -.170E+03   0.293E+03 -.116E+02 0.172E+03   0.332E-01 0.168E+01 -.243E+01   -.810E-04 -.773E-03 -.212E-03
   -.287E+03 -.636E+02 -.186E+03   0.287E+03 0.637E+02 0.187E+03   -.273E-01 0.501E-01 -.119E+01   0.539E-03 -.590E-03 -.259E-03
   -.206E+03 -.731E+02 0.599E+01   0.206E+03 0.729E+02 -.598E+01   0.273E+00 0.107E+00 -.801E-01   -.448E-03 -.465E-03 0.483E-03
   -.112E+03 -.523E+02 -.790E+01   0.113E+03 0.567E+02 0.101E+02   -.965E+00 -.394E+01 -.247E+01   -.175E-02 -.129E-02 0.810E-03
   -.715E+02 -.137E+03 0.112E+03   0.716E+02 0.140E+03 -.108E+03   -.211E+00 -.320E+01 -.368E+01   -.155E-02 -.149E-02 0.132E-02
   -.182E+03 0.492E+02 0.335E+01   0.182E+03 -.495E+02 -.342E+01   0.602E-01 0.280E+00 -.873E-02   -.543E-03 -.510E-03 0.360E-03
   -.101E+03 0.552E+02 0.207E+03   0.100E+03 -.564E+02 -.209E+03   0.224E+00 0.114E+01 0.169E+01   -.112E-02 -.455E-03 -.177E-03
   -.727E+02 0.751E+02 0.117E+03   0.727E+02 -.765E+02 -.118E+03   -.904E-02 0.143E+01 0.116E+00   -.945E-03 -.480E-03 0.154E-03
   -.215E+03 0.910E+02 -.220E+03   0.215E+03 -.919E+02 0.221E+03   0.546E-01 0.779E+00 -.880E+00   0.280E-03 -.250E-03 0.675E-04
   -.180E+03 0.460E+02 -.294E+03   0.180E+03 -.462E+02 0.296E+03   -.104E-01 -.863E-02 -.222E+01   0.301E-03 -.765E-03 0.138E-03
   -.110E+03 0.570E+02 -.149E+03   0.111E+03 -.577E+02 0.151E+03   -.233E+00 0.743E+00 -.138E+01   -.527E-03 -.432E-03 0.250E-03
   -.604E+02 0.970E+02 -.873E+02   0.603E+02 -.101E+03 0.885E+02   -.237E-01 0.468E+01 -.583E+00   -.935E-03 -.697E-03 0.715E-03
   -.254E+02 0.813E+02 0.135E+03   0.251E+02 -.857E+02 -.133E+03   0.321E+00 0.441E+01 -.198E+01   -.881E-03 -.121E-02 0.127E-02
   0.227E+02 0.494E+02 0.103E+03   -.211E+02 -.438E+02 -.105E+03   -.153E+01 -.548E+01 0.190E+01   -.730E-03 -.339E-03 -.968E-04
   -.160E+02 0.134E+03 0.267E+03   0.170E+02 -.135E+03 -.269E+03   -.993E+00 0.956E+00 0.225E+01   0.283E-03 -.225E-03 -.647E-03
   -.381E+02 0.121E+03 0.230E+03   0.391E+02 -.121E+03 -.232E+03   -.873E+00 -.555E+00 0.217E+01   0.186E-03 -.229E-04 -.827E-03
   0.505E+02 0.711E+02 -.395E+02   -.516E+02 -.713E+02 0.424E+02   0.122E+01 0.191E+00 -.295E+01   -.113E-02 -.980E-04 -.167E-03
   0.116E+02 0.263E+02 0.372E+02   -.112E+02 -.274E+02 -.394E+02   -.306E+00 0.115E+01 0.215E+01   -.102E-02 0.541E-03 -.400E-03
   -.190E+02 0.111E+02 0.893E+02   0.196E+02 -.107E+02 -.903E+02   -.457E+00 -.214E+00 0.767E+00   -.323E-03 0.671E-03 -.514E-03
   -.752E+02 0.149E+01 0.381E+02   0.751E+02 -.168E+01 -.373E+02   -.643E-01 0.117E+00 -.497E+00   -.181E-03 0.104E-02 -.400E-03
   -.146E+03 -.129E+02 0.883E+02   0.145E+03 0.138E+02 -.868E+02   0.952E+00 -.950E+00 -.163E+01   0.155E-03 0.246E-03 -.196E-03
   -.235E+03 -.692E+02 0.154E+03   0.236E+03 0.693E+02 -.157E+03   -.150E+01 -.955E-01 0.304E+01   0.130E-03 0.325E-03 -.137E-04
   -.778E+02 -.106E+03 -.114E+03   0.773E+02 0.106E+03 0.116E+03   0.520E+00 0.559E+00 -.175E+01   -.107E-02 0.137E-02 -.377E-03
   -.107E+03 -.118E+03 -.160E+03   0.106E+03 0.119E+03 0.163E+03   0.678E+00 -.990E+00 -.269E+01   -.136E-02 0.860E-03 0.662E-04
   -.171E+03 -.488E+02 0.216E+02   0.170E+03 0.427E+02 -.196E+02   0.129E+01 0.595E+01 -.197E+01   -.476E-03 0.567E-03 0.391E-03
   -.178E+03 0.188E+02 0.129E+03   0.174E+03 -.130E+02 -.121E+03   0.348E+01 -.587E+01 -.837E+01   -.124E-04 -.449E-03 -.147E-02
   -.447E+02 -.515E+01 -.328E+02   0.461E+02 -.128E+01 0.240E+02   -.144E+01 0.638E+01 0.908E+01   -.127E-02 0.938E-03 0.146E-03
   -.345E+03 -.764E+02 0.851E+02   0.345E+03 0.771E+02 -.865E+02   0.154E+00 -.572E+00 0.132E+01   0.954E-03 0.650E-03 -.296E-03
   -.348E+03 -.105E+03 -.842E+02   0.348E+03 0.106E+03 0.846E+02   0.867E-01 -.131E+01 -.426E+00   0.867E-03 0.901E-03 -.826E-03
   -.318E+03 -.939E+02 -.134E+03   0.318E+03 0.950E+02 0.136E+03   0.116E-01 -.127E+01 -.144E+01   0.110E-02 0.130E-02 -.506E-03
   -.295E+03 -.622E+02 0.170E+03   0.295E+03 0.622E+02 -.172E+03   -.313E+00 -.124E-01 0.220E+01   0.142E-02 0.104E-02 0.905E-03
   -.242E+03 -.109E+03 0.129E+03   0.242E+03 0.110E+03 -.130E+03   0.786E-01 -.802E+00 0.100E+01   0.160E-02 0.373E-03 0.674E-03
   -.261E+03 -.794E+02 -.254E+01   0.261E+03 0.796E+02 0.254E+01   0.110E+00 -.239E+00 -.384E-01   0.133E-02 0.585E-03 -.291E-03
   -.363E+03 -.978E+02 0.163E+02   0.363E+03 0.102E+03 -.180E+02   0.322E+00 -.446E+01 0.716E+00   0.375E-03 0.155E-02 -.586E-03
   -.355E+03 -.935E+02 -.576E+02   0.355E+03 0.975E+02 0.569E+02   -.679E+00 -.423E+01 0.209E+01   0.254E-03 0.197E-02 -.292E-02
   -.219E+03 0.431E+02 0.167E+02   0.219E+03 -.431E+02 -.166E+02   0.353E-01 -.289E-01 0.668E-01   0.128E-02 -.342E-03 -.168E-04
   -.247E+03 0.117E+03 -.798E+02   0.247E+03 -.119E+03 0.810E+02   0.116E+00 0.146E+01 -.111E+01   0.170E-02 -.526E-03 0.160E-03
   -.241E+03 0.126E+03 -.336E+01   0.241E+03 -.128E+03 0.325E+01   0.103E+00 0.121E+01 0.178E+00   0.146E-02 -.742E-03 -.120E-03
   -.164E+03 0.392E+02 0.129E+03   0.165E+03 -.395E+02 -.130E+03   -.692E-01 0.166E+00 0.119E+01   0.845E-03 -.570E-03 0.609E-03
   -.159E+03 -.156E+02 0.137E+03   0.159E+03 0.167E+02 -.139E+03   -.133E+00 -.114E+01 0.243E+01   0.628E-03 -.104E-02 0.847E-03
   -.212E+03 0.305E+02 0.121E+03   0.212E+03 -.306E+02 -.122E+03   -.280E-01 0.109E+00 0.155E+01   0.102E-02 -.789E-03 0.218E-03
   -.229E+03 0.968E+02 0.112E+03   0.228E+03 -.101E+03 -.114E+03   0.447E+00 0.397E+01 0.220E+01   0.113E-02 -.899E-03 -.109E-03
   -.260E+03 0.143E+03 0.672E+02   0.260E+03 -.146E+03 -.707E+02   0.769E-01 0.328E+01 0.343E+01   0.138E-02 -.807E-03 -.148E-02
   -.250E+03 0.108E+03 0.935E+02   0.249E+03 -.104E+03 -.896E+02   0.491E+00 -.468E+01 -.379E+01   0.925E-03 -.143E-02 -.823E-03
   -.137E+03 0.200E+03 0.209E+02   0.136E+03 -.201E+03 -.195E+02   0.977E+00 0.122E+01 -.159E+01   -.210E-03 -.462E-03 -.122E-02
   -.762E+02 0.115E+03 0.453E+02   0.751E+02 -.115E+03 -.435E+02   0.103E+01 -.983E-02 -.176E+01   -.456E-03 -.487E-04 -.108E-02
   -.300E+03 0.942E+02 0.183E+03   0.302E+03 -.936E+02 -.186E+03   -.168E+01 -.717E+00 0.225E+01   0.133E-02 -.151E-02 -.664E-04
   -.210E+03 0.443E+02 0.104E+03   0.209E+03 -.455E+02 -.103E+03   0.119E+01 0.124E+01 -.113E+01   0.331E-03 -.829E-03 0.969E-04
   -.138E+03 -.748E+01 0.881E+02   0.137E+03 0.743E+01 -.875E+02   0.292E+00 0.111E+00 -.464E+00   -.461E-03 0.536E-04 -.232E-03
   -.125E+03 -.439E+01 0.116E+03   0.126E+03 0.435E+01 -.117E+03   -.434E+00 -.137E+00 0.708E+00   -.158E-02 0.506E-03 0.162E-03
   -.803E+02 -.401E+02 0.692E+02   0.817E+02 0.417E+02 -.704E+02   -.144E+01 -.163E+01 0.103E+01   -.205E-02 0.145E-02 0.133E-03
   -.189E+01 -.566E+02 -.222E+02   0.166E+00 0.561E+02 0.248E+02   0.174E+01 0.604E+00 -.257E+01   -.241E-02 0.784E-03 0.577E-03
   -.182E+03 -.127E+03 0.168E+03   0.183E+03 0.128E+03 -.170E+03   -.696E+00 -.779E-01 0.197E+01   -.168E-02 -.202E-03 0.149E-03
   -.139E+03 -.195E+03 0.190E+03   0.140E+03 0.196E+03 -.191E+03   -.102E+01 -.123E+01 0.125E+01   -.142E-02 -.675E-03 0.120E-02
   -.406E+02 -.854E+02 0.101E+03   0.410E+02 0.810E+02 -.105E+03   -.317E+00 0.425E+01 0.379E+01   -.196E-02 -.238E-03 0.125E-02
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   -.235E+03 -.184E+03 -.387E+03   0.275E+03 0.190E+03 0.422E+03   -.396E+02 -.643E+01 -.357E+02   -.198E-04 -.167E-02 -.722E-03
   0.234E+03 0.333E+03 -.227E+03   -.247E+03 -.381E+03 0.241E+03   0.131E+02 0.478E+02 -.145E+02   0.100E-02 -.106E-02 0.255E-02
   -.663E+02 -.825E+02 0.134E+03   0.888E+02 0.788E+02 -.182E+03   -.225E+02 0.361E+01 0.479E+02   0.224E-02 -.888E-03 0.356E-02
   -.226E+03 -.415E+03 0.391E+03   0.250E+03 0.447E+03 -.425E+03   -.244E+02 -.323E+02 0.337E+02   0.405E-02 -.264E-02 0.106E-02
   0.136E+03 -.467E+03 -.188E+03   -.153E+03 0.495E+03 0.227E+03   0.169E+02 -.280E+02 -.389E+02   0.354E-02 -.267E-02 0.441E-02
   -.266E+03 -.106E+03 0.316E+02   0.305E+03 0.785E+02 -.800E+01   -.390E+02 0.272E+02 -.239E+02   0.518E-02 -.783E-03 0.119E-02
   0.730E+02 -.209E+03 0.807E+03   -.939E+02 0.238E+03 -.848E+03   0.211E+02 -.285E+02 0.411E+02   -.187E-02 -.244E-02 -.586E-02
   -.142E+03 0.191E+03 0.554E+03   0.181E+03 -.219E+03 -.575E+03   -.384E+02 0.282E+02 0.217E+02   -.247E-02 -.200E-02 -.600E-02
   0.190E+03 0.380E+03 0.377E+03   -.229E+03 -.411E+03 -.367E+03   0.389E+02 0.313E+02 -.105E+02   -.322E-02 -.257E-02 -.746E-02
 -----------------------------------------------------------------------------------------------
   0.208E+02 0.122E+01 -.713E+01   -.112E-10 -.682E-11 -.597E-11   -.208E+02 -.115E+01 0.701E+01   0.120E-01 -.647E-01 0.106E+00
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.12642      3.14632      1.33939         0.037660      0.150481     -0.049233
     12.89656      3.58273      2.63973        -0.042419      0.068488      0.072664
     12.85232      4.93882      2.97059         0.054511      0.226051      0.210366
     13.17608      4.07826      0.30802        -0.011208      0.150134     -0.217416
     13.04009      5.43498      0.62310        -0.003749      0.037658      0.052589
     12.96004      5.92557      1.95059         0.103016     -0.124755      0.022689
     13.27230      1.66842      1.34689         0.230682     -0.272292     -0.355454
     12.69652      2.37995      3.50155         0.098992     -0.178395     -0.115964
     13.06485      7.40689      2.21294        -0.012471     -0.094044      0.142665
     13.07940      7.97036      3.51384        -0.008080     -0.161255      0.163678
     13.31772      9.33616      3.68024        -0.076172     -0.078449      0.143091
     13.23498      8.31422      1.13971        -0.014392     -0.055780      0.083386
     13.45514      9.68277      1.30914         0.025658      0.017149     -0.047310
     13.51785     10.19270      2.60674        -0.009379      0.065843     -0.060931
     13.75189     11.57466      3.12731         0.116678      0.212978     -0.165311
     13.38049     10.13634      4.94345         0.096106      0.118220     -0.301035
     13.75205     12.59982      5.48206        -0.079108      0.273682      0.381039
     13.49298     12.48579      6.86032        -0.132277     -0.384811     -0.045856
     13.53376     13.59114      7.70751        -0.134957     -0.209924      0.043371
     14.09351     13.89876      5.06240        -0.005538     -0.230340      0.067537
     14.13698     15.00377      5.93110         0.039588      0.025877      0.003123
     13.83365     14.90775      7.33728         0.042739      0.077220     -0.075342
     13.88485     16.01071      8.39254         0.034507      0.018902     -0.109962
     13.25074     16.04336      9.68629        -0.030069     -0.122375     -0.111386
     13.33436     17.18660     10.50296        -0.066386     -0.133876     -0.097352
     14.62056     17.17958      8.12016         0.016056     -0.000662     -0.125083
     14.61330     18.33928      8.88232         0.143454     -0.042101      0.029017
     13.94467     18.36624     10.09350         0.006101     -0.081171     -0.015575
     12.43742     14.92676     10.31214         0.061402      0.029428      0.097173
     14.71098     16.22591      5.24737        -0.066158     -0.036316      0.147760
      9.80636      3.84755      4.73224         0.032381     -0.127188     -0.049450
      9.71912      4.77253      3.69903         0.020747     -0.039125     -0.028222
      9.77420      6.14859      3.95519        -0.019525      0.274034     -0.098713
     10.00277      4.26378      6.03927         0.078986      0.041096      0.223170
     10.07194      5.62945      6.30015         0.092644      0.182312     -0.032098
      9.95528      6.61975      5.28922        -0.018023     -0.013663     -0.076153
      9.58723      2.47391      4.20596         0.075096      0.465839     -0.250773
      9.58639      4.00327      2.41300        -0.022160     -0.206806      0.080442
     10.02559      8.07906      5.67631        -0.021724     -0.030316     -0.079440
     10.07703      9.13375      4.72960        -0.071307     -0.051180     -0.209779
     10.19547     10.45161      5.16553        -0.013119      0.106205     -0.327925
     10.01914      8.47031      7.04079         0.128216     -0.061459     -0.036596
     10.08902      9.80450      7.46996        -0.018478     -0.230398      0.020138
     10.20266     10.80491      6.51068         0.055347     -0.024366     -0.054559
     10.28310     12.28650      6.61948        -0.114990      0.472768      0.611937
     10.29461     11.70488      4.35174        -0.054960     -0.067974      0.297645
     10.72731     14.15042      4.89730         0.008635      0.177002     -0.059596
     11.24617     14.48603      3.64086         0.019743     -0.230633     -0.172273
     11.61617     15.79372      3.33152         0.135296     -0.034883      0.005034
     10.58561     15.23598      5.77477         0.062219     -0.061115     -0.017710
     10.96665     16.55864      5.46361         0.081055      0.098395      0.008638
     11.53396     16.91796      4.18062         0.159601      0.117067     -0.189691
     12.04361     18.30128      3.70129        -0.197905     -0.077123      0.247733
     12.62869     18.70059      2.43839         0.079871     -0.109290     -0.093931
     12.94412     20.04867      2.17515         0.006917      0.023404     -0.002797
     11.93552     19.40064      4.58273        -0.018214     -0.076588      0.027270
     12.21420     20.73542      4.31269        -0.044883      0.207876      0.028434
     12.69248     21.11422      3.05502        -0.037983     -0.167860      0.034038
     13.08879     17.81173      1.26752        -0.110238     -0.105783     -0.005110
     10.78653     17.47916      6.66367        -0.043184     -0.045637      0.311453
     10.50412      7.06751     14.72844         0.142598      0.165804     -0.061453
     10.42140      7.48755     16.05145         0.017027      0.371966      0.000223
     10.44015      8.85463     16.39041         0.048414     -0.132092      0.425095
     10.52423      8.01822     13.70873        -0.046945      0.012874     -0.108609
     10.45437      9.37488     14.04566         0.042829     -0.046160      0.180052
     10.46497      9.85955     15.38342         0.138314     -0.037103     -0.037342
     10.55176      5.58181     14.68871         0.321879     -0.726335     -1.017705
     10.26304      6.26230     16.89611        -0.134744     -0.226710      1.323137
     10.53596     11.36240     15.63973         0.069486     -0.036881      0.106047
     10.59784     11.97359     16.92450         0.046698     -0.149968      0.172198
     10.71072     13.36818     17.04718        -0.004149     -0.129464      0.068440
     10.59763     12.25672     14.53999         0.020536     -0.111058      0.102141
     10.73171     13.64355     14.65896         0.047541     -0.043467     -0.027562
     10.79350     14.20341     15.93541        -0.015164      0.038979      0.064545
     10.92364     15.62521     16.39808         0.020802      0.157948     -0.250449
     10.74603     14.23372     18.27867         0.084773      0.088282     -0.126313
     10.74622     16.77109     18.69286        -0.019469      0.037878      0.144931
     10.08927     16.74330     19.92425        -0.058063     -0.233821     -0.188294
      9.91702     17.90174     20.67617        -0.053113      0.020163      0.084619
     11.26657     18.03224     18.35174         0.021599     -0.164733     -0.036309
     11.13477     19.20248     19.13602         0.100880      0.060245     -0.055520
     10.40079     19.19423     20.39457         0.012376      0.052927      0.207008
     10.11509     20.34313      0.15291        -0.052060     -0.178663     -0.104767
      9.44553     20.29705      1.44696        -0.018392     -0.006561     -0.230811
      9.23925      0.19496      2.22956         0.009493      0.101760      0.025169
     10.50427      0.39827     21.10178         0.107937      0.132082      0.061367
     10.30184      1.54570      0.61893         0.040585      0.145624     -0.180573
      9.67753      1.48112      1.86615         0.071468     -0.165532     -0.129482
      8.78284     19.08447      2.07692         0.221632      0.004942     -0.118526
     11.90852     20.36591     18.48631        -0.057669     -0.091674      0.010794
      7.29290      7.64559     17.37440        -0.025402      0.116408      0.077164
      7.15174      8.57418     16.34522         0.002239      0.096085      0.016495
      7.10140      9.94902     16.61892        -0.016446      0.204191      0.005033
      7.48170      8.06784     18.68518        -0.055094     -0.015450      0.047474
      7.49323      9.43644     18.95414         0.085685      0.148135     -0.075562
      7.28376     10.42700     17.95598        -0.039149      0.035518     -0.063637
      7.05231      6.28358     16.84467        -0.074608     -0.320748      0.108911
      7.02576      7.80225     15.05508        -0.016158     -0.168653     -0.088511
      7.24961     11.89171     18.37597         0.002603     -0.006224     -0.088827
      7.17715     12.98752     17.46787        -0.050944     -0.166952     -0.250577
      7.18463     14.30477     17.94120        -0.012865      0.073502     -0.128142
      7.32842     12.23818     19.75325         0.084994     -0.046963     -0.188698
      7.33811     13.55945     20.21847        -0.065643     -0.209406      0.094075
      7.23717     14.60191     19.30257         0.031327     -0.012432     -0.091823
      7.19073     16.08162     19.48888        -0.062820      0.485262      0.637780
      7.19822     15.60784     17.19304        -0.065147      0.223987     -0.138948
      7.51865     18.05883     17.88184         0.023181      0.211627     -0.067713
      8.30218     18.43281     16.78700         0.034679     -0.301014     -0.029842
      8.66253     19.75968     16.56377         0.179093     -0.045120     -0.041672
      7.07332     19.13368     18.66874         0.055691     -0.086154     -0.020808
      7.43351     20.48960     18.43914        -0.079509      0.007607      0.057398
      8.30226     20.88112     17.33796         0.066066      0.116013     -0.132069
      8.86953      1.01482     16.91698        -0.029255     -0.088847      0.159670
      9.58489      1.37188     15.69091        -0.114040      0.294713      0.238073
     10.00387      2.71089     15.48906         0.384734      0.075949     -0.105303
      8.72103      2.12402     17.78870         0.088270     -0.158572     -0.077555
      9.20185      3.42597     17.59427        -0.047446      0.124562     -0.179696
      9.84139      3.77568     16.39796         0.007967     -0.468013     -0.310814
     10.06737      0.51049     14.49752         0.333290     -0.446540     -0.144385
      6.73827      0.14752     19.45094        -0.049408     -0.004627     -0.049141
      6.92207     10.83240      6.17748        -0.004615     -0.003734     -0.034732
      6.83634     11.27799      7.49210         0.029798      0.062083      0.088736
      6.87974     12.64435      7.81600         0.055315      0.291274      0.219647
      7.09713     11.76405      5.15311        -0.033206      0.152434     -0.057164
      7.16323     13.12773      5.47634        -0.060949      0.055115      0.136646
      7.04828     13.63636      6.79919        -0.046485     -0.044083      0.098626
      6.91766      9.33409      6.16004        -0.029083      0.139439      0.257095
      6.81910     10.06129      8.37927        -0.011184     -0.176702     -0.116217
      7.14683     15.14680      7.04291        -0.082097     -0.031064      0.100375
      7.12120     15.77455      8.32489        -0.014976     -0.158494      0.120560
      7.24294     17.17269      8.44541         0.012075     -0.101729      0.036254
      7.31404     16.03321      5.93944        -0.084325     -0.175055      0.095237
      7.39553     17.42188      6.06252        -0.091887     -0.011688      0.003030
      7.33461     17.99767      7.33009        -0.023398      0.013376     -0.125802
      7.47069     19.43178      7.75139        -0.019346     -0.458077      0.242210
      7.43547     18.04090      9.65922         0.017125      0.271722     -0.172920
      7.65746     20.57761     10.01746         0.034514      0.165939      0.267835
      7.20848     20.57650     11.33645        -0.090511     -0.421990     -0.034862
      7.20146      0.46511     12.10713        -0.022468      0.140564      0.048634
      8.25451      0.53230      9.62375         0.087343      0.057088     -0.036238
      8.34717      1.67862     10.45788         0.174011      0.014363     -0.089070
      7.71823      1.72305     11.76969        -0.019245      0.049437      0.285551
      7.52370      2.87184     12.79994        -0.237835     -0.489252      0.211933
      6.88987      2.83633     14.13629         0.237002     -0.055804     -0.686653
      6.70293      4.00098     14.88805         0.135488      0.358312      0.001059
      7.92973      4.16695     12.47101         0.115784      0.409948      0.121068
      7.79087      5.31513     13.27034         0.023413      0.216504     -0.351579
      7.15896      5.28080     14.51197         0.024925     -0.339370     -0.028171
      6.28666      1.65269     14.87787         0.122255     -0.429609     -0.124407
      9.31312      2.72555      9.88813        -0.022780     -0.315724      0.023455
      4.27442     11.51058     10.53070        -0.049428      0.045101      0.115026
      4.02238     12.37608      9.47506        -0.019219      0.162630     -0.061803
      4.10827     13.76287      9.62667        -0.005416      0.213416     -0.218575
      4.64157     12.03292     11.77349         0.037427      0.096105     -0.036808
      4.66099     13.42386     11.94513         0.057636      0.104090     -0.156311
      4.40944     14.34085     10.88680         0.001754     -0.059340     -0.097889
      3.87555     10.12997     10.13767        -0.039456     -0.056394     -0.013595
      3.53451     11.57058      8.31100         0.028487     -0.042530     -0.082520
      4.43118     15.83913     11.11771        -0.058306     -0.046256     -0.131323
      4.07149     16.79502     10.11786        -0.090897     -0.251665     -0.120310
      4.11502     18.16261     10.40809        -0.046976     -0.041839     -0.168661
      4.83249     16.35254     12.37725        -0.010131     -0.050442     -0.034072
      4.79838     17.71607     12.68387        -0.001171     -0.261515      0.001354
      4.41310     18.60559     11.69004         0.049380     -0.003670      0.136592
      4.28644     20.07459     11.74153        -0.015413      0.128495      0.191342
      3.96373     19.38062      9.53489        -0.154370      0.212451     -0.546966
      4.35059      0.63287     10.02934         0.179248      0.141873     -0.270471
      4.83866      1.00075      8.77234        -0.070097     -0.332430     -0.222285
      5.34314      2.27381      8.55824         0.178074      0.051152     -0.015921
      4.23369      1.70978     10.91223         0.034480      0.034140     -0.054761
      4.74001      3.01904     10.67989        -0.086923      0.046852      0.032349
      5.43191      3.36094      9.45910         0.131818      0.247279     -0.228911
      6.06171      4.72140      8.94863        -0.228227     -0.095885      0.196277
      6.53695      5.03452      7.61862        -0.027814     -0.188754     -0.004445
      6.84333      6.35052      7.18864        -0.041700      0.115961     -0.048497
      6.05107      5.89084      9.74117        -0.055919     -0.237110      0.226697
      6.27295      7.19490      9.30202         0.153213      0.439214      0.042729
      6.64745      7.50471      7.98266        -0.046875     -0.161447      0.159191
      6.70264      3.99108      6.51977        -0.119471      0.131541     -0.139880
      4.22004      3.85699     11.84173        -0.061935     -0.247468      0.231486
      0.85713     14.12943      0.97552        -0.157004     -0.004473     -0.274763
      1.51849     14.57042      2.11357         0.095000      0.240410      0.030494
      1.56076     15.95907      2.40363         0.006814      0.048085      0.205184
      0.37869     15.02560      0.02597        -0.029884     -0.163032      0.116189
      0.50338     16.38543      0.28003        -0.116768      0.115686     -0.094419
      1.01530     16.92495      1.48803         0.015909     -0.068441      0.091447
      0.79532     12.64962      0.94085         0.335114      0.608750      0.436950
      2.15401     13.32589      2.73715         0.032552     -0.124172     -0.052694
      0.94379     18.45267      1.65548        -0.079780      0.147218      0.030266
      1.31675     19.20981      2.80721         0.147703     -0.346766      0.288253
      1.20388     20.61016      2.81853         0.044581      0.063848     -0.068955
      0.43734     19.23758      0.57380         0.037536     -0.124653      0.104204
      0.25562     20.62350      0.61046         0.012065     -0.063077     -0.161182
      0.65173      0.05513      1.74834        -0.057590      0.005804      0.130388
      0.57572      1.51175      2.07210         0.076364     -0.360046      0.203597
      1.66018      0.36850      3.83233        -0.097665      0.079544     -0.230647
      1.33216      2.91791      4.05506         0.048129      0.201351     -0.014210
      1.94429      3.00838      5.30433         0.187767     -0.205554      0.041179
      2.08149      4.22000      5.95954         0.091954      0.056125      0.040206
      0.80223      4.14045      3.59253        -0.024860      0.095102      0.206222
      0.89765      5.36088      4.31494        -0.155523     -0.181457     -0.037911
      1.63251      5.48719      5.55000         0.050675     -0.023342      0.196163
      2.00370      6.70715      6.43132         0.008738     -0.020422     -0.114529
      2.47186      6.68499      7.79647         0.105362     -0.236196      0.126497
      2.89354      7.82880      8.48995         0.065327      0.225040      0.109225
      2.02208      8.03125      5.93129        -0.142910      0.083741     -0.067701
      2.47597      9.18009      6.61206         0.015427      0.181857     -0.273794
      2.95119      9.11517      7.93778         0.034568     -0.253230     -0.070083
      2.75450      5.45528      8.63872        -0.017642      0.109586      0.030980
      0.07658      6.45517      3.67356         0.241345     -0.042501     -0.171527
      4.62868     14.07292      0.66668        -0.031897      0.222514      0.097516
      4.04926     14.97918     -0.22540        -0.015731      0.243290      0.188213
      4.08210     16.37465      0.01500        -0.125734      0.102201     -0.190501
      5.26872     14.56322      1.80469         0.014337     -0.034726      0.023193
      5.25338     15.94050      2.05648        -0.042468     -0.041050     -0.035119
      4.64850     16.91734      1.21567         0.065323     -0.047851     -0.048435
      4.42725     12.67503      0.18235         0.134379      0.084104      0.079235
      3.43576     14.15100     19.92644        -0.269270      0.303055     -0.467545
      4.69336     18.40162      1.66385        -0.034264     -0.028954     -0.100128
      4.16969     19.54011      0.97689        -0.154358      0.179731     -0.180652
      4.32676     20.85601      1.49453        -0.052854      0.022783     -0.052427
      5.33481     18.70905      2.89337        -0.124781      0.130345     -0.026443
      5.52171     19.99987      3.39556        -0.085434      0.125745      0.085358
      5.02523     21.08976      2.67618        -0.005445      0.078879      0.026441
      5.12970      1.31570      2.93879        -0.246541     -0.209045     -0.375516
      3.85054      0.95569      0.99114         0.141304      0.168029      0.200451
      4.05554      3.44786      1.87546        -0.144017     -0.182589     -0.184979
      3.15797      4.03326      0.95573         0.061684     -0.073459      0.003579
      2.92822      5.41540      0.88122         0.007230      0.066326      0.082801
      4.60812      4.40090      2.75647        -0.054482      0.036599      0.050243
      4.27064      5.78879      2.75207        -0.193668     -0.234621     -0.177008
      3.43600      6.41374      1.75011         0.087613      0.012036      0.020833
      3.03998      7.92931      1.62306         0.231930     -0.148611      0.210633
      1.86028      8.49535      1.00426         0.053305     -0.046685      0.169561
      1.53740      9.85620      1.12863        -0.099095     -0.193153      0.126936
      3.80395      8.94124      2.27349        -0.422942      0.087795     -0.010667
      3.39520     10.27380      2.51728         0.043200      0.032638     -0.099847
      2.23655     10.79757      1.90615         0.001070     -0.175809      0.098106
      0.83944      7.74427      0.14608         0.250482      0.212924     -0.285444
      4.90472      6.49314      3.92325         0.045621      0.325174     -0.194316
     18.02986     17.33529     13.76934         0.052321      0.023774     -0.035193
     19.03325     17.80714     14.60955         0.067017      0.031475      0.094904
     19.28642     19.17356     14.77045         0.032787      0.172356      0.172994
     17.32709     18.23999     12.97449        -0.051723      0.137411     -0.065754
     17.62845     19.60378     13.07092         0.175453      0.060059      0.118592
     18.55501     20.12938     14.01118        -0.041242      0.033607      0.100653
     17.98705     15.84435     13.85679        -0.433045     -0.453805     -0.151137
     19.73086     16.62277     15.20650        -0.248403     -0.160394     -0.135585
     18.67987      0.36863     14.21499         0.048244     -0.120373      0.097102
     19.59876      0.94866     15.13251         0.047310     -0.178015      0.104251
     19.58682      2.32728     15.35884         0.112057      0.047777      0.135608
     17.80334      1.26425     13.54631         0.111741     -0.179509      0.063868
     17.81217      2.64699     13.76198        -0.056030     -0.114143     -0.084109
     18.71696      3.17494     14.67861        -0.073546      0.128399      0.014567
     18.93619      4.58603     15.12652        -0.198534      0.334295     -0.065256
     20.38178      3.16535     16.32300        -0.173276      0.279080     -0.089253
     20.58058      5.67858     16.75464        -0.175437      0.270394     -0.052331
      0.63878      5.67640     17.19672         0.183378     -0.100745      0.082352
      1.23613      6.83129     17.69827         0.213562     -0.323439     -0.148487
     19.89362      6.88565     16.98396         0.533327     -0.017809     -0.005915
     20.50471      8.04640     17.52820        -0.127925      0.024781      0.067730
      0.66304      8.09124     17.86514        -0.201938      0.541016      0.234667
      1.55283      9.25931     18.44402        -0.046420      0.300848      0.006622
      2.92391      9.23916     18.95694        -0.211010      0.054887      0.042446
      3.54192     10.40872     19.48358         0.151506     -0.011286      0.049969
      1.02242     10.57775     18.53950        -0.384739     -0.444907     -0.033035
      1.62175     11.70095     19.11241         0.174216     -0.009951     -0.102495
      2.92083     11.65473     19.62603        -0.028032     -0.233805     -0.072595
      4.01718      8.15602     18.92739        -0.478027     -0.212266     -0.053766
     19.46270      9.12302     17.83664         0.224503     -0.091253      0.116517
      1.87146     18.25307     14.11825        -0.045627     -0.120271      0.098853
      1.16603     19.16779     13.34375        -0.027900      0.094830      0.161402
      1.22780     20.53707     13.60585        -0.065622      0.355665     -0.097232
      2.70241     18.69972     15.13903        -0.019619      0.202798      0.195390
      2.74869     20.06879     15.41914        -0.119792      0.210593     -0.085524
      2.00673     21.03678     14.69426        -0.109033      0.019756     -0.192873
      1.55589     16.87480     13.66772         0.327505     -0.431099      0.096420
      0.40509     18.39447     12.31400        -0.155681     -0.071935     -0.175868
      2.13677      1.25195     15.01910        -0.016316     -0.023853     -0.231181
      1.60840      2.26676     14.17931        -0.066117     -0.175727     -0.207683
      1.88109      3.60742     14.43804        -0.234291      0.149793     -0.206641
      2.86634      1.70373     16.14889        -0.094838     -0.026240     -0.060894
      3.22255      3.04885     16.34300        -0.024894     -0.259816      0.084804
      2.75680      4.00381     15.44042         0.090525      0.058113      0.050697
      3.01504      5.47397     15.28482         0.022456     -0.079967      0.011896
      1.35124      4.83386     13.76442        -0.325933      0.125757     -0.117995
      1.54398      7.31878     14.27871        -0.158875      0.001631     -0.041365
      0.23260      7.62100     13.89314        -0.116445     -0.254165      0.030097
     20.98931      8.90809     14.05024        -0.021617     -0.195117      0.030229
      2.30460      8.42759     14.68373        -0.054126     -0.067052      0.025315
      1.79636      9.73517     14.81743        -0.125915      0.235099      0.039759
      0.40785     10.05062     14.50830        -0.154278      0.121910      0.057386
     20.87493     11.38038     14.58372         0.259926     -0.072962     -0.036715
     19.49456     11.66187     14.21440        -0.038329     -0.264180     -0.004558
     18.94876     12.95888     14.31627         0.045394      0.045572     -0.019048
      0.27159     12.54976     15.01928         0.004518      0.083985      0.038679
     -0.26130     13.83668     15.09356         0.031395      0.248717      0.038523
     19.67547     14.09822     14.70844         0.117431     -0.026408      0.118098
     18.42965     10.65609     13.73190         0.036011      0.007039      0.048520
      2.90022     10.69993     15.24929         0.127337     -0.042425      0.073596
     16.25850      0.40536      5.23811         0.031575      0.075035     -0.008630
     16.91719      0.80520      6.39882        -0.075683      0.014402      0.043100
     16.88793      2.14397      6.82689         0.077841      0.211697      0.223501
     15.56720      1.33358      4.48096        -0.036460      0.105681     -0.126468
     15.57989      2.67346      4.87128         0.052516      0.029324      0.133350
     16.22412      3.14192      6.04287         0.033530     -0.063207      0.059311
     16.53846     20.23588      4.94426        -0.084631      0.008744     -0.237572
     17.63422     20.85164      6.93054         0.071154     -0.044554      0.071323
     16.20650      4.63978      6.32890         0.049176     -0.020023      0.092404
     16.86449      5.28184      7.41720         0.057746     -0.226101      0.089126
     16.82860      6.68048      7.53986         0.018160     -0.039291      0.109106
     15.52501      5.51031      5.43220         0.079412     -0.107506      0.048574
     15.55807      6.90263      5.52226         0.057011     -0.039455     -0.019361
     16.23075      7.49521      6.58452        -0.004827      0.049778     -0.086004
     16.51125      8.93581      6.88424         0.014918     -0.358939      0.250383
     17.40978      7.57467      8.59391        -0.168321      0.188426     -0.088083
     17.70641     10.10444      8.81034         0.145501      0.201409      0.161339
     18.74667     10.02068      9.73167        -0.019779     -0.271017      0.008669
     19.31059     11.14913     10.30203         0.055153      0.069297     -0.019038
     17.23764     11.41253      8.59725        -0.070706      0.052517     -0.066209
     17.82899     12.56058      9.18031        -0.126471      0.115495      0.026904
     18.95567     12.48105     10.07310         0.087271     -0.007239      0.141266
     19.76287     13.58537     10.77446         0.096191     -0.013406      0.013653
     21.07347     13.49567     11.39481        -0.107485     -0.045839     -0.014203
      0.44377     14.63042     11.94675        -0.145381      0.098400      0.029360
     19.23250     14.88619     10.88303         0.018298      0.136781      0.134354
     19.87093     16.01453     11.41101        -0.109951      0.026769     -0.062029
     21.14661     15.91158     11.97350        -0.041358     -0.011096     -0.056662
      0.80952     12.33114     11.42954        -0.018148      0.034292      0.103404
     17.06665     13.82380      8.83379        -0.023809     -0.087281      0.029107
     20.30308      1.41966      6.18150         0.016523      0.058020     -0.096891
     19.71431      2.45634      5.44646         0.018542      0.046275      0.142154
     19.68161      3.75497      5.92647        -0.089970      0.246533     -0.030602
     20.84291      1.67758      7.43509        -0.081990      0.260830      0.200677
     20.72226      2.97360      7.96548        -0.096018      0.108662     -0.071963
     20.15971      4.05558      7.23084         0.022794     -0.041607     -0.077438
     20.23638      0.16858      5.37195        -0.037483      0.097292      0.016224
     19.19372      1.90239      4.15326         0.181232     -0.138695      0.343542
     20.19331      5.48095      7.71579        -0.078222     -0.147748     -0.075822
     19.77897      6.52626      6.85944        -0.069706     -0.249916     -0.111491
     20.09741      7.84293      7.15202        -0.108550      0.235464     -0.109735
     -0.55924      5.86438      8.98051         0.013749      0.106812      0.095710
     -0.22134      7.19689      9.27225        -0.062820     -0.194180     -0.028097
     20.79945      8.17083      8.29726         0.040478      0.265581      0.223419
     -0.12578      9.63254      8.24513        -1.548531     -1.613419     -1.625260
     19.81032      9.09784      6.37551         0.852069     -0.197621      1.226315
     20.35649     11.56670      6.72663        -0.071782     -0.159085     -0.116751
     19.44865     12.00376      5.75266        -0.201613     -0.121547     -0.099454
     19.21090     13.35642      5.55289        -0.156604      0.055660     -0.050263
     21.10407     12.59441      7.33417        -0.017438      0.095683     -0.039097
     20.90327     13.96871      7.07812         0.088429      0.131401      0.035333
     19.86688     14.42916      6.18488        -0.087789      0.143127     -0.161517
     19.36788     15.85028      5.91969         0.161725     -0.122701      0.067521
     18.59046     16.34604      4.80720         0.074178     -0.109521      0.013617
     18.06068     17.65194      4.80269         0.033369     -0.099568     -0.065763
     19.57039     16.83540      6.90908        -0.042997     -0.014066      0.061385
     18.99520     18.09913      6.92929        -0.085928      0.192723      0.245023
     18.16401     18.54061      5.89325         0.170425     -0.255072     -0.028372
     18.14102     15.51666      3.60133         0.162815      0.121996     -0.001309
      0.66767     14.87312      7.76294         0.118384     -0.049089     -0.025006
     12.74877      5.21089      4.02618        -0.089797      0.029670     -0.126378
     13.28847      3.79573     20.51725         0.015850     -0.159472      0.102668
     12.99077      6.14128     21.05230         0.140199     -0.119961     -0.006576
     12.93183      7.35711      4.40780        -0.070033      0.029636     -0.116356
     13.20622      7.93530      0.12285         0.034419      0.057029     -0.131340
     13.58006     10.29838      0.41893         0.039703      0.212649      0.093125
     13.35831     13.35997      8.74685         0.010455     -0.024989      0.035022
     13.24857     11.52417      7.31278         0.076279      0.051190     -0.150277
     14.35102     14.04963      4.02292         0.004489      0.059846     -0.093258
     12.88468     17.13784     11.48729        -0.174217      0.084818      0.092991
     15.21698     17.24805      7.23292         0.099013     -0.120580      0.002641
     15.15370     19.20216      8.49010         0.013066      0.091975      0.129372
      9.65953      6.83863      3.11268         0.029749     -0.007754      0.122898
     10.05746      3.55602      6.86324         0.058271     -0.083061     -0.078101
     10.18959      5.93580      7.34248         0.092407     -0.092389     -0.128104
      9.98535      8.94833      3.65592         0.139752     -0.052292      0.067333
      9.93686      7.70354      7.81485        -0.007519      0.133012     -0.051039
     10.02692     10.01422      8.53807         0.086227      0.157770      0.009059
     12.04401     15.87890      2.34384        -0.027186      0.120687      0.137001
     11.41654     13.73423      2.87125        -0.060040     -0.004240      0.092769
     10.20923     15.04120      6.76747        -0.047471     -0.062737      0.144585
     13.41329     20.28198      1.23080        -0.022214      0.020474     -0.154098
     11.59673     19.26537      5.59501         0.023493     -0.062156     -0.191360
     12.01275      0.19618      5.10244         0.055990      0.074078     -0.084534
     10.41353      9.10118     17.45797        -0.007249      0.112292     -0.131156
     10.55212      7.73493     12.65212         0.012801     -0.081685      0.132495
     10.37812     10.07558     13.21884         0.100189      0.021601     -0.066821
     10.57143     11.37602     17.83886        -0.040071     -0.026579     -0.020916
     10.56381     11.85258     13.53263         0.001826      0.073579     -0.114681
     10.79820     14.23024     13.74384         0.005196      0.229819      0.057358
      9.36172     17.70716      0.31729        -0.071506      0.159198     -0.108536
      9.66595     15.82923     20.33541         0.126994     -0.051482     -0.092780
     11.79784     18.10757     17.41423         0.085966      0.064981     -0.132097
      8.72280      0.11069      3.17920         0.029266     -0.152376      0.019497
     11.03608      0.58074     20.18573         0.029035      0.047131     -0.110913
     10.65455      2.49241      0.21331        -0.051202      0.048305      0.038864
      6.86244     10.62725     15.79542         0.148737      0.064251      0.064119
      7.55179      7.35886     19.50932         0.095579     -0.106185     -0.057398
      7.62260      9.73184     19.99966         0.041880     -0.071405     -0.199448
      7.11881     12.81896     16.38800         0.052734     -0.002321      0.069187
      7.38068     11.45081     20.50877         0.002464      0.173978     -0.068865
      7.42104     13.72483      0.03376        -0.005782      0.165904     -0.035932
      9.30062     19.87418     15.69898         0.059106      0.091501      0.188593
      8.67818     17.68482     16.09401         0.052236     -0.014140     -0.047561
      6.41944     18.91400     19.50692         0.100451      0.001419      0.017499
     10.51677      2.97266     14.56283        -0.121631     -0.227950      0.062955
      8.17253      2.01322     18.71809         0.128884     -0.148636     -0.071849
      9.00775      4.16111     18.36362        -0.018834      0.123050      0.151218
      6.78911     12.93289      8.86818         0.125805     -0.013661     -0.114198
      7.23382     11.47981      4.10689        -0.103120     -0.192572      0.076567
      7.34836     13.82289      4.65298        -0.071509     -0.152354      0.063623
      7.01071     15.18983      9.24329         0.118186     -0.036137     -0.095668
      7.42022     15.63149      4.93004        -0.046822      0.019394      0.081884
      7.59157     18.02478      5.17656        -0.107715      0.078553      0.027099
      6.76518      0.32368     13.07270        -0.195028     -0.014566      0.050660
      6.83858     19.66928     11.80020        -0.013138     -0.135957     -0.040454
      8.69851      0.58006      8.63440         0.026401      0.083091     -0.023215
      6.20276      3.92150     15.84053        -0.043767     -0.023429      0.142289
      8.43000      4.33421     11.52863         0.001873      0.052727     -0.073506
      8.19947      6.23762     12.86928        -0.041457      0.180420      0.009154
      3.85844     14.38914      8.77020         0.156187     -0.003910      0.014033
      4.84516     11.39887     12.63480        -0.030993     -0.124215     -0.153134
      4.81015     13.80383     12.95845         0.131577     -0.090531     -0.087715
      3.73061     16.47965      9.12785         0.141073     -0.015502      0.020193
      5.17561     15.67123     13.15923        -0.028725      0.090214     -0.076942
      5.08853     18.05455     13.67782         0.016894      0.077145     -0.008561
      5.68392      2.37464      7.55280         0.102449     -0.026166      0.066281
      4.83232      0.32180      7.91646         0.088350     -0.083465      0.213168
      3.69614      1.53853     11.83133         0.063693     -0.041409      0.264301
      7.21391      6.45322      6.17643        -0.086921      0.108476     -0.077803
      5.77097      5.84433     10.78556         0.086844     -0.158723     -0.163822
      6.12776      7.98195     10.03588         0.048257      0.067498      0.031627
      2.01441     16.27713      3.34502         0.042763      0.074071     -0.016324
     -0.04851     14.68012     20.34183        -0.074803     -0.027321      0.076892
      0.16758     17.03702     20.73410        -0.055940      0.001523      0.113626
      1.68668     18.72727      3.71860         0.042173     -0.044160     -0.138177
      0.16213     18.75831     20.89783        -0.062075     -0.012084     -0.015078
     -0.16212     -0.12009     20.99891         0.055404      0.012836      0.124097
      2.61643      4.12194      6.87642         0.068277     -0.067931     -0.058461
      2.34695      2.14104      5.80941         0.078158     -0.233957     -0.059167
      0.22366      4.13197      2.67635         0.004302      0.074881     -0.061488
      3.18504      7.74085      9.53341         0.030073     -0.107504     -0.173895
      1.68927      8.20458      4.90766         0.075089      0.000595      0.069524
      2.44659     10.12281      6.06402         0.062973     -0.021089      0.105903
      3.66926     17.02551     20.49664        -0.085533      0.053379      0.146522
      5.76429     13.89654      2.52133        -0.153879      0.041566     -0.163389
      5.75749     16.24053      2.97117        -0.035058      0.068272      0.023572
      3.63686     19.43164      0.02827         0.026349     -0.057030      0.022199
      5.76063     17.91429      3.49563        -0.021023     -0.060511      0.070408
      6.06314     20.12023      4.33766        -0.080478      0.165247     -0.055519
      2.27070      5.71484      0.08192        -0.063202     -0.085034     -0.101534
      2.57692      3.42408      0.28317        -0.018921     -0.295176     -0.349796
      5.29380      4.05943      3.52421        -0.001759     -0.036622      0.098227
      0.65468     10.20463      0.61849        -0.178836     -0.078883     -0.075525
      4.77485      8.69560      2.68551         0.053448     -0.052973     -0.037990
      4.01946     10.86646      3.18635         0.022496      0.152795     -0.196343
     20.04905     19.48882     15.48981        -0.080566     -0.050666     -0.061778
     16.57503     17.92762     12.25244        -0.065569     -0.209484     -0.028953
     17.14459     20.28165     12.36420        -0.106586     -0.103381      0.127158
     20.32269      0.33193     15.67282        -0.106080      0.040925      0.020716
     17.07524      0.85945     12.84107        -0.005456      0.121536      0.060427
     17.09910      3.27493     13.22900         0.027712      0.136762     -0.000952
      2.24243      6.67719     18.03351         0.037336      0.068519     -0.278788
      1.24887      4.77872     17.16218        -0.133149     -0.068488      0.064637
     18.85070      6.92403     16.72559        -0.346425      0.119812     -0.068843
      4.57913     10.33750     19.81395        -0.198145     -0.089715      0.006910
      0.01980     10.77043     18.16424         0.188685     -0.113206      0.050814
      1.03711     12.60658     19.12797        -0.125382      0.353202      0.012134
      0.67770     21.20530     12.93665        -0.011908      0.045152      0.145388
      3.32560     18.02691     15.72367        -0.066506     -0.231014      0.033657
      3.41716     20.40428     16.21076         0.027006     -0.043245      0.025362
      1.03638      2.03202     13.27943        -0.108540     -0.065724      0.083268
      3.20489      0.97564     16.89138         0.031515      0.156670     -0.060742
      3.83528      3.30020     17.20927         0.059081      0.146301     -0.057141
     19.95118      8.96187     13.79363        -0.067713      0.065451      0.066094
     20.80353      6.86703     13.50160         0.200743      0.030672      0.161215
      3.34611      8.27460     14.91771         0.165311     -0.129609      0.109217
     17.90986     13.08292     14.05276        -0.180770      0.080167     -0.123762
      1.30833     12.51652     15.31179         0.032442     -0.117961     -0.017511
      0.41509     14.62544     15.41900        -0.141305      0.018336      0.002497
     17.43101      2.41779      7.74047        -0.114512     -0.034752     -0.121515
     15.04300      1.03712      3.57535         0.174689     -0.067871     -0.016984
     15.07695      3.38245      4.21366         0.095295     -0.125886      0.073337
     17.47709      4.71917      8.13283        -0.304830      0.011714     -0.028011
     14.95645      5.09733      4.59981         0.110844      0.032466      0.035919
     15.06265      7.49541      4.75734         0.099269      0.089048      0.022180
     20.11624     10.92488     10.96618        -0.006131      0.079544      0.104312
     19.17767      9.06698     10.00848        -0.165966     -0.119746      0.098352
     16.38130     11.55530      7.94738         0.034260      0.041622     -0.089566
      1.41354     14.51906     12.40443         0.149163     -0.092959      0.016076
     18.22510     15.07321     10.55019        -0.132267     -0.032818      0.038966
     19.32558     16.95418     11.36487         0.116082      0.091253      0.055242
     19.31304      4.53409      5.25444        -0.106063     -0.090191      0.139835
      0.11421      0.90508      7.99119        -0.111807     -0.096638      0.072742
     -0.12769      3.15761      8.96056        -0.051919     -0.033894     -0.072176
     19.25132      6.30963      5.93716        -0.027033      0.010310      0.001151
     -0.37178      5.11281      9.75446        -0.033247      0.146497     -0.145588
      0.23182      7.41853     10.24315        -0.033105      0.144727     -0.127254
     18.39291     13.55918      4.87818         0.043029     -0.016496      0.036546
     18.87645     11.31373      5.14019        -0.037282     -0.141425      0.177564
      0.63607     12.30900      8.00658         0.134786      0.023436      0.189460
     17.46702     17.93724      3.94349        -0.056283      0.053442     -0.030516
     20.16032     16.60616      7.78485        -0.085874     -0.071345     -0.039262
     19.18826     18.72759      7.79202        -0.004605      0.094970      0.051049
     13.88498     19.26919     10.69915         0.048406      0.003596      0.132995
     19.36288     21.15663      3.43564        -0.076577     -0.167577     -0.148710
     12.89839      1.22501      2.66623        -0.035069      0.037418     -0.077767
     13.64652     11.49653      4.56863         0.024077     -0.000326     -0.195059
      9.58500      2.59839      2.76366        -0.060822      0.006289      0.137134
     10.44062     12.79373      5.27911        -0.005132     -0.021450     -0.080072
     10.22706      5.12188     16.01245         0.006419      0.110011      0.312502
     10.83568     15.60604     17.82973        -0.027249      0.025342      0.106153
      7.06887      6.39717     15.41098         0.001457      0.079024      0.026238
      7.25023     16.66765     18.18255         0.014223     -0.162241     -0.121211
      6.77522      8.88732      7.52036        -0.032072     -0.016864      0.130447
      7.51847     19.41744      9.18361         0.149529     -0.138910     -0.102176
      3.46020     10.20165      8.73610         0.039633     -0.090499      0.123344
      4.08812     20.53711     10.40977        -0.016135     -0.255016     -0.173642
      1.76279     12.18465      1.90113        -0.005504     -0.373664     -0.037040
      1.20086      1.67074      3.35616        -0.007637      0.006127     -0.095839
      3.56075     12.76952     20.30657        -0.008246     -0.241487     -0.119167
      4.31303      1.98337      1.95043        -0.019521      0.150339     -0.240634
     19.13581     15.43939     14.63689        -0.186785     -0.005789     -0.083787
     19.98505      4.53995     16.10292        -0.087517     -0.106303      0.041783
      0.58348     17.00013     12.61281         0.122766     -0.107928      0.184919
      2.01733      5.96526     14.35919        -0.019652     -0.156858     -0.019038
     17.47995     19.80064      5.92798         0.036341      0.000895      0.090970
     17.21742      8.94061      8.13269        -0.196388     -0.075751      0.097052
     19.54670      0.53883      4.19763         0.042316      0.214669      0.169199
     20.48292     10.17170      7.06846        -0.004951      0.199806     -0.112158
     12.41598      2.36416      4.68969         0.083548     -0.030071      0.069590
     13.70311      0.97014      0.43548        -0.249093      0.272554      0.410682
     13.20959      9.72384      6.07448         0.015870     -0.186480      0.325594
     13.98879     12.57945      2.46653        -0.130256     -0.379426      0.338580
      9.50370      4.43528      1.27757         0.030408      0.060244     -0.161641
      9.41573      1.45779      4.84342         0.076607     -0.398938      0.063899
     10.22695     11.80654      3.13719         0.030982      0.023840     -0.168682
     10.17592     12.96330      7.64292         0.128991     -0.433706     -0.812134
     10.15747      6.20519     18.12983         0.187438      0.021430     -1.229615
     10.86648      4.89101     13.70821        -0.403182      0.607101      1.129204
     10.71203     13.87933     19.44314        -0.022235     -0.063765      0.101274
     11.07304     16.62220     15.70172        -0.089732     -0.230296      0.244666
      6.91462      8.22175     13.91456         0.060535     -0.002697      0.157609
      6.82084      5.27184     17.49832         0.248053      0.316136     -0.330641
      7.17393     15.78741     15.98334        -0.015423     -0.080567      0.224059
      7.09701     16.69733     20.55433         0.051097     -0.405086     -0.905997
      6.89660     10.03524      9.59607        -0.009785      0.035510      0.053114
      7.06919      8.61728      5.18896        -0.009448     -0.028678      0.025805
      7.56625     17.70394     10.82070        -0.039808     -0.119785      0.056904
      7.52518     20.42190      7.04645        -0.045030      0.148969     -0.107035
      3.23345     11.96566      7.19649         0.041123      0.017298     -0.067751
      3.84437      9.14743     10.86648         0.007334      0.191330     -0.342835
      3.80846     19.43387      8.31945         0.075563     -0.030473      0.664583
      4.32409     20.77869     12.73860        -0.057915     -0.152268     -0.135747
      2.88836     13.24073      3.70358        -0.076157      0.000488     -0.104187
      0.02135     12.00459      0.26024        -0.172334     -0.209598     -0.224700
      2.33512      0.18375      4.82633        -0.004138     -0.049874      0.071391
      0.05274      2.39125      1.41201         0.054244      0.080030     -0.126578
      2.94200     14.51775     18.86681         0.065923      0.035786      0.437760
      4.93419     11.65633      0.63986        -0.169370      0.189365     -0.242817
      3.19304      1.19349     -0.00487         0.016346     -0.020650     -0.001119
      5.81375      1.85843      3.78501         0.040940      0.110923      0.105242
     -0.62784     16.63359     16.02345         0.364697      0.006858      0.277371
     17.12506     15.09929     13.39698         0.591914      0.369570      0.218234
     -0.08161      2.80482     17.17029         0.063137     -0.169016      0.054123
     18.34138      5.59312     14.75043         0.366867     -0.457256      0.200481
     21.03052     18.81134     11.35942        -0.149678      0.151306     -0.001356
      2.04928     15.83255     14.09825        -0.376066      0.461768     -0.299435
      0.47566      4.89922     12.90704         0.267188     -0.039566      0.302120
      3.92668      6.12505     15.77300        -0.369532      0.015765     -0.037543
     18.23107     20.73502      7.98989        -0.124698      0.020448     -0.196999
     16.07650     19.56716      4.02565         0.215690      0.230812      0.265594
     17.90959      7.25359      9.65643        -0.069827     -0.072838      0.041195
     16.24618      9.91368      6.20764        -0.069319      0.065489      0.036879
     18.57890      2.45012      3.25415        -0.023625      0.068440     -0.052932
     20.65897     20.30470      5.61646         0.007567      0.153685     -0.069775
     19.13461      9.20228      5.38604        -0.722624      0.169625     -1.014586
      0.55476     10.23003      9.01037         1.378683      1.335833      1.433202
     14.02554     17.39011      5.44829         0.137576     -0.056277      0.093054
     15.99255     16.42885      5.72066        -0.092804     -0.015036     -0.077857
     14.83553     16.11219      3.90621        -0.104875     -0.078404     -0.065821
     11.84003     15.30868     11.48494        -0.082776     -0.029642      0.066916
     11.43064     14.46876      9.52342        -0.013987      0.020778     -0.096571
     13.20896     13.83377     10.65889        -0.007094      0.000603      0.114173
     11.96791     17.96413      7.16023        -0.118564      0.075181     -0.133995
      9.97897     18.57062      6.43048         0.037280     -0.063282     -0.065159
     10.20416     16.85134      7.73101        -0.001131     -0.024410      0.019333
     13.39351     18.52886      0.15003         0.076974      0.144442     -0.065150
     14.21632     17.10855      1.56446        -0.039834     -0.119606      0.149510
     12.15788     16.89338      0.81898         0.158732      0.255457      0.033723
     11.16609      0.25589     18.31316         0.150189     -0.137618      0.078040
     13.03171     -0.54762     19.18648        -0.237098      0.019213      0.157008
     12.33871     20.06895     17.22701         0.125849     -0.053468     -0.004670
      8.35901     19.31462      3.35237        -0.084142      0.035440      0.163173
      7.67912     18.71078      1.36104         0.024041     -0.100820     -0.068597
      9.56997     17.96356      2.20050        -0.020360      0.113007      0.061038
      7.57465      0.87415     20.26010         0.124935     -0.003866     -0.137701
      5.88624      1.04005     18.85859         0.127905      0.073659     -0.129944
      5.96286     20.70730     20.34006        -0.047511      0.054303     -0.106835
     10.31612      1.26418     13.38516         0.126890      0.093174      0.149061
     11.26509     -0.11072     14.80847        -0.247604      0.195976      0.087819
      9.26926     20.75737     14.00509        -0.001420      0.340339      0.299738
      8.75254      3.93671      9.55363        -0.019357     -0.025011      0.065842
     10.32523      2.99001     10.76064         0.003634      0.116861      0.243077
      9.93202      2.30726      8.73692        -0.046117     -0.056683      0.085512
      6.05684      1.91149     16.18681         0.006934      0.189963      0.548388
      5.08580      1.24098     14.39828         0.105042     -0.024762     -0.237931
      7.08755      0.53032     14.89783        -0.253251      0.071102     -0.023086
      4.70575      5.09461     12.09019        -0.028539      0.141364     -0.102173
      2.85288      3.98669     11.72243         0.010989      0.088501     -0.177588
      4.38682      3.19373     13.03426         0.041273      0.143076     -0.170288
      7.26413      4.46697      5.38056         0.092111      0.271754     -0.073724
      7.50559      2.95212      6.90410        -0.035710     -0.073290      0.022906
      5.49788      3.46461      6.08649         0.201637      0.088572      0.115976
     -0.59889      7.25051      4.53082         0.030754      0.097396      0.194323
      0.87587      7.32119      2.97228        -0.133742     -0.078494      0.283999
     -0.87274      5.96728      2.82412         0.012033      0.034846      0.112185
      3.17907      5.75209      9.89858        -0.299703      0.068857     -0.137979
      1.73651      4.55453      8.81179         0.110292      0.059293     -0.094082
      3.78040      4.75227      8.06920        -0.136024      0.073236     -0.028546
      6.15957      6.92585      3.57312         0.002067     -0.076655     -0.131815
      4.21775      7.57076      4.40878         0.045116     -0.082572     -0.066840
      5.04562      5.69371      5.00489        -0.128698     -0.121294      0.019735
     -0.11785      8.55566     20.88159         0.168066      0.221139     -0.053637
      1.51049      7.18249     -0.92269        -0.182027     -0.046357      0.053828
      0.12990      6.73899      0.68969         0.174685     -0.519698      0.284206
     19.43964      9.43123     19.16388         0.089103      0.212440      0.066665
     19.65530     10.30238     17.15395        -0.097353     -0.047294     -0.050197
     18.19295      8.73334     17.54310        -0.168488      0.032620     -0.146098
      4.85137      8.24027     20.00307         0.227617      0.282175      0.212012
      3.70299      6.82609     18.92207         0.110133      0.012791      0.071164
      4.75655      8.36764     17.80136        -0.052152     -0.050862     -0.110382
      3.26266     11.53823     14.22749        -0.093067      0.118842      0.159858
      2.61956     11.50142     16.32755         0.005432     -0.184623     -0.163724
      4.05741     10.05448     15.61131        -0.085215      0.126888     -0.094746
     17.28487     11.25881     13.30749        -0.085457      0.098897      0.063366
     18.80512      9.87420     12.65673        -0.163932      0.227735      0.172708
     18.04881      9.79068     14.72162         0.095708     -0.026402      0.045303
     16.21804     14.17733      9.86674         0.185125      0.072800     -0.110944
     17.82529     14.92508      8.54606         0.065418     -0.071980     -0.028833
     16.28736     13.65551      7.73708         0.052811     -0.004073     -0.142141
      1.81183     12.54640     12.32850         0.080655      0.141489     -0.019074
      0.38440     11.07206     11.78051         0.134668      0.226795     -0.106130
      1.40726     12.23950     10.21186        -0.065104     -0.065684      0.066462
      1.29069     15.72289      6.88706        -0.221536      0.029478     -0.082810
      0.17632     15.66008      8.78489        -0.024508     -0.088190     -0.069980
      1.66508     14.17018      8.36921        -0.073340     -0.026525     -0.265759
     17.63176     16.26718      2.58693         0.167879      0.152198     -0.028937
     19.15136     14.77324      3.04966         0.093570      0.055503      0.003066
     17.12954     14.63103      3.91542         0.096324      0.004717     -0.069630
 -----------------------------------------------------------------------------------
    total drift:                                0.021579      0.004684     -0.011560


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4573.9633501976 eV

  energy  without entropy=    -4574.1146913921  energy(sigma->0) =    -4574.01379726
 
 d Force = 0.2454392E-01[-0.967E-03, 0.501E-01]  d Energy = 0.2450119E-01 0.427E-04
 d Force = 0.2141856E+03[ 0.214E+03, 0.214E+03]  d Ewald  = 0.2141857E+03-0.834E-04


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   70(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3160
 total energy-change (2. order) : 0.3307961E+00  (-0.4348754E+02)
 number of electron    2497.9999958 magnetization 
 augmentation part      162.6795838 magnetization 

  free energy =  -0.457363255957E+04  energy without entropy=  -0.457378499480E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   70(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3504
 total energy-change (2. order) :-0.9148550E+00  (-0.1098941E+01)
 number of electron    2497.9999958 magnetization 
 augmentation part      162.7361958 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8684
  0.8684

  free energy =  -0.457454741455E+04  energy without entropy=  -0.457469798004E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   70(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3712
 total energy-change (2. order) : 0.3184029E-01  (-0.2168154E-01)
 number of electron    2497.9999958 magnetization 
 augmentation part      162.6942298 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4253
  1.0871  1.7635

  free energy =  -0.457451557426E+04  energy without entropy=  -0.457466781719E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   70(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3600
 total energy-change (2. order) :-0.5272366E-02  (-0.1875039E-01)
 number of electron    2497.9999958 magnetization 
 augmentation part      162.6673369 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2820
  2.1964  0.8572  0.7925

  free energy =  -0.457452084662E+04  energy without entropy=  -0.457467146419E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   70(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) :-0.8844264E-03  (-0.3962653E-02)
 number of electron    2497.9999958 magnetization 
 augmentation part      162.6722850 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2925
  2.3555  0.9645  0.9645  0.8856

  free energy =  -0.457452173105E+04  energy without entropy=  -0.457467378307E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   70(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3568
 total energy-change (2. order) : 0.1812085E-02  (-0.1834926E-02)
 number of electron    2497.9999958 magnetization 
 augmentation part      162.6743536 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2219
  2.3990  1.0711  1.0711  0.7842  0.7842

  free energy =  -0.457451991896E+04  energy without entropy=  -0.457467102756E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   70(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) :-0.3615214E-04  (-0.4994244E-03)
 number of electron    2497.9999958 magnetization 
 augmentation part      162.6757210 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2172
  2.3878  0.9521  0.9521  1.2004  1.2004  0.6107

  free energy =  -0.457451995512E+04  energy without entropy=  -0.457467191211E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   70(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3528
 total energy-change (2. order) : 0.9416134E-04  (-0.6555526E-04)
 number of electron    2497.9999958 magnetization 
 augmentation part      162.6788286 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2263
  2.4609  1.0640  1.0640  1.3654  1.2092  0.8445  0.5761

  free energy =  -0.457451986096E+04  energy without entropy=  -0.457467157223E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   70(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3632
 total energy-change (2. order) :-0.1329003E-04  (-0.4814788E-04)
 number of electron    2497.9999958 magnetization 
 augmentation part      162.6783218 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2199
  2.5098  1.0455  1.0455  1.4454  1.2469  0.9382  0.9382  0.5901

  free energy =  -0.457451987425E+04  energy without entropy=  -0.457467156115E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   70(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3344
 total energy-change (2. order) :-0.2100909E-04  (-0.6966373E-05)
 number of electron    2497.9999958 magnetization 
 augmentation part      162.6779147 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2224
  2.5775  1.8510  1.0820  1.0820  1.0849  1.0037  1.0037  0.7258  0.5907

  free energy =  -0.457451989525E+04  energy without entropy=  -0.457467162197E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   70(  11)  ---------------------------------------



 eigenvalue-minimisations  :  2472
 total energy-change (2. order) :-0.2146242E-04  (-0.1930823E-05)
 number of electron    2497.9999958 magnetization 
 augmentation part      162.6778294 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2277
  2.6190  1.9524  1.0528  1.0528  1.2856  0.9644  0.9644  0.5923  0.9413  0.8519

  free energy =  -0.457451991672E+04  energy without entropy=  -0.457467162626E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   70(  12)  ---------------------------------------



 eigenvalue-minimisations  :  2248
 total energy-change (2. order) :-0.2196187E-04  (-0.3310170E-06)
 number of electron    2497.9999958 magnetization 
 augmentation part      162.6778385 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2771
  2.5963  2.3531  1.5719  1.0604  1.0604  1.2074  0.9704  0.9704  0.9351  0.5933
  0.7288

  free energy =  -0.457451993868E+04  energy without entropy=  -0.457467164482E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   70(  13)  ---------------------------------------



 eigenvalue-minimisations  :  2240
 total energy-change (2. order) :-0.2576783E-04  (-0.4543294E-06)
 number of electron    2497.9999958 magnetization 
 augmentation part      162.6779193 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3019
  2.9154  2.5243  1.4821  1.4821  1.0460  1.0460  0.9688  0.9688  0.9434  0.9434
  0.5928  0.7097

  free energy =  -0.457451996445E+04  energy without entropy=  -0.457467166423E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   70(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2256
 total energy-change (2. order) :-0.1742234E-04  (-0.2598727E-06)
 number of electron    2497.9999958 magnetization 
 augmentation part      162.6779214 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3535
  3.4701  2.5657  1.6398  1.6398  1.0586  1.0586  1.0162  1.0162  1.0247  1.0247
  0.5927  0.7913  0.6974

  free energy =  -0.457451998187E+04  energy without entropy=  -0.457467167416E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   70(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2208
 total energy-change (2. order) :-0.9794894E-05  (-0.1508896E-06)
 number of electron    2497.9999958 magnetization 
 augmentation part      162.6779214 magnetization 

  free energy =  -0.457451999166E+04  energy without entropy=  -0.457467168256E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0595       2 -56.1138       3 -56.0145       4 -55.8393       5 -55.8241
       6 -56.2834       7 -58.1594       8 -58.2422       9 -56.2470      10 -55.9212
      11 -56.0064      12 -55.7776      13 -55.7942      14 -55.9912      15 -58.1156
      16 -58.0894      17 -56.3513      18 -54.9718      19 -54.8465      20 -55.0864
      21 -55.6425      22 -55.5790      23 -55.5940      24 -55.5901      25 -54.9915
      26 -54.7113      27 -54.9011      28 -54.9386      29 -60.3762      30 -60.3582
      31 -55.6474      32 -55.7827      33 -55.6971      34 -55.3572      35 -55.4931
      36 -55.9814      37 -57.8200      38 -57.9736      39 -56.0741      40 -55.7746
      41 -55.9000      42 -55.6744      43 -55.7250      44 -55.9041      45 -58.0955
      46 -58.1272      47 -56.4442      48 -55.1107      49 -54.9142      50 -55.2631
      51 -55.8739      52 -55.8238      53 -55.7459      54 -55.7415      55 -55.0674
      56 -54.8479      57 -54.9868      58 -56.3670      59 -60.3570      60 -60.5964
      61 -55.9845      62 -56.0243      63 -55.9159      64 -55.7894      65 -55.7586
      66 -56.2340      67 -58.1228      68 -58.1616      69 -56.1911      70 -55.8650
      71 -55.9742      72 -55.6724      73 -55.6758      74 -55.9315      75 -58.0672
      76 -58.1035      77 -56.3609      78 -55.0651      79 -54.8874      80 -55.1920
      81 -55.8248      82 -55.8084      83 -55.8467      84 -55.8927      85 -55.2544
      86 -54.9862      87 -55.1720      88 -56.3967      89 -60.6584      90 -60.4100
      91 -55.7486      92 -55.8656      93 -55.7746      94 -55.5238      95 -55.6010
      96 -56.1100      97 -57.9280      98 -58.0295      99 -56.2077     100 -55.9052
     101 -56.0516     102 -55.7227     103 -55.7803     104 -56.0070     105 -58.1383
     106 -58.2019     107 -56.4372     108 -55.1432     109 -54.9617     110 -55.3839
     111 -55.9337     112 -55.8659     113 -55.7980     114 -55.8423     115 -55.0970
     116 -54.9319     117 -55.0424     118 -56.3546     119 -60.4422     120 -60.6107
     121 -55.9708     122 -55.9904     123 -55.8599     124 -55.7805     125 -55.7739
     126 -56.1960     127 -58.0786     128 -58.1829     129 -56.1500     130 -55.7853
     131 -55.8895     132 -55.6897     133 -55.6040     134 -55.8148     135 -57.9090
     136 -58.0474     137 -56.3556     138 -55.0086     139 -54.8516     140 -55.2724
     141 -55.8717     142 -55.7917     143 -55.8761     144 -55.8670     145 -55.2048
     146 -55.0697     147 -55.2184     148 -56.4110     149 -60.4864     150 -60.5617
     151 -55.6651     152 -55.6970     153 -55.5328     154 -55.4159     155 -55.4567
     156 -55.9169     157 -57.9703     158 -57.8904     159 -56.0208     160 -55.7569
     161 -55.9224     162 -55.5526     163 -55.5909     164 -55.8103     165 -57.9524
     166 -58.0801     167 -56.3930     168 -55.0208     169 -54.7849     170 -55.2287
     171 -55.8592     172 -55.8654     173 -55.8384     174 -55.7807     175 -55.3060
     176 -54.9014     177 -55.0462     178 -56.4814     179 -60.4598     180 -60.5800
     181 -55.8846     182 -56.0653     183 -55.9293     184 -55.6621     185 -55.6739
     186 -56.2397     187 -58.0401     188 -58.2474     189 -56.2587     190 -55.8517
     191 -56.0062     192 -55.7405     193 -55.7248     194 -55.9437     195 -58.0750
     196 -58.1876     197 -56.5036     198 -55.0730     199 -54.9196     200 -55.2865
     201 -55.8737     202 -55.8776     203 -55.9068     204 -55.9027     205 -55.1486
     206 -55.2133     207 -55.2024     208 -56.4722     209 -60.7238     210 -60.4746
     211 -55.9809     212 -56.0492     213 -55.9463     214 -55.7925     215 -55.7355
     216 -56.2708     217 -58.1489     218 -58.1612     219 -56.1356     220 -55.8108
     221 -55.9237     222 -55.5600     223 -55.4968     224 -55.8264     225 -57.9754
     226 -58.1233     227 -56.5145     228 -55.0666     229 -54.9560     230 -55.2689
     231 -55.7832     232 -55.8207     233 -55.7924     234 -55.7325     235 -54.9887
     236 -55.0896     237 -55.2124     238 -56.4576     239 -60.3464     240 -60.4008
     241 -55.9793     242 -56.0059     243 -55.8894     244 -55.7518     245 -55.7501
     246 -56.1849     247 -58.0894     248 -58.1351     249 -56.1666     250 -55.8525
     251 -55.9682     252 -55.7282     253 -55.7221     254 -55.9113     255 -57.9966
     256 -58.0447     257 -56.3184     258 -55.0212     259 -54.7955     260 -55.2085
     261 -55.7847     262 -55.7800     263 -55.8926     264 -55.9256     265 -55.3147
     266 -54.9673     267 -55.1583     268 -56.3840     269 -60.6213     270 -60.3612
     271 -55.8738     272 -55.9408     273 -55.7980     274 -55.6711     275 -55.6259
     276 -56.0687     277 -58.0935     278 -58.1234     279 -55.9426     280 -55.6447
     281 -55.7661     282 -55.5204     283 -55.5217     284 -55.8016     285 -58.0917
     286 -57.9428     287 -56.3997     288 -55.0311     289 -54.8602     290 -55.2211
     291 -55.8539     292 -55.7914     293 -55.8218     294 -55.8442     295 -55.2104
     296 -54.9311     297 -55.0367     298 -56.4245     299 -60.4873     300 -60.5687
     301 -55.8853     302 -56.0181     303 -55.9198     304 -55.6281     305 -55.6698
     306 -56.1721     307 -58.0664     308 -58.2507     309 -56.1899     310 -55.8606
     311 -55.9616     312 -55.6918     313 -55.6567     314 -55.8771     315 -57.9828
     316 -58.0916     317 -56.3544     318 -54.9640     319 -54.7592     320 -55.2362
     321 -55.7656     322 -55.7004     323 -55.8459     324 -55.9020     325 -55.2233
     326 -55.0501     327 -55.2222     328 -56.4279     329 -60.5776     330 -60.4211
     331 -55.7577     332 -55.7896     333 -55.6628     334 -55.5960     335 -55.5758
     336 -56.0162     337 -57.9574     338 -57.9517     339 -55.9213     340 -55.6018
     341 -55.7497     342 -55.5133     343 -55.5318     344 -55.7588     345 -57.9714
     346 -57.9581     347 -56.4735     348 -55.0058     349 -54.9332     350 -55.2829
     351 -55.8455     352 -55.7826     353 -55.7481     354 -55.7549     355 -55.1963
     356 -54.8976     357 -54.9912     358 -56.4196     359 -60.4646     360 -60.5560
     361 -39.0464     362 -38.7890     363 -38.9219     364 -38.9993     365 -38.9491
     366 -38.7549     367 -38.1195     368 -38.0805     369 -38.0883     370 -38.1200
     371 -38.1374     372 -38.1793     373 -38.6827     374 -38.3013     375 -38.6510
     376 -38.7853     377 -38.8035     378 -38.7520     379 -38.1137     380 -38.1109
     381 -38.2794     382 -38.0758     383 -38.2285     384 -37.9846     385 -38.8373
     386 -38.7632     387 -38.8990     388 -38.8421     389 -38.8539     390 -38.5730
     391 -38.2076     392 -38.2200     393 -38.2116     394 -38.1929     395 -38.2267
     396 -38.3273     397 -38.7247     398 -38.4715     399 -38.7392     400 -38.8587
     401 -38.7888     402 -38.7810     403 -38.1610     404 -38.1813     405 -38.4252
     406 -38.0021     407 -38.0694     408 -38.0184     409 -38.7259     410 -38.7742
     411 -38.9324     412 -38.6954     413 -38.8880     414 -38.6309     415 -38.2192
     416 -38.2667     417 -38.1885     418 -38.2094     419 -38.2718     420 -38.3611
     421 -38.5567     422 -38.3418     423 -38.5416     424 -38.7274     425 -38.5786
     426 -38.6249     427 -38.2318     428 -38.0264     429 -38.3571     430 -38.2752
     431 -38.0476     432 -38.0464     433 -38.7845     434 -38.6618     435 -38.8944
     436 -38.6815     437 -38.9316     438 -38.6626     439 -38.4335     440 -38.1367
     441 -38.1912     442 -38.1446     443 -38.2180     444 -38.1415     445 -38.8185
     446 -38.7897     447 -38.9150     448 -38.7047     449 -38.7956     450 -38.3673
     451 -38.1181     452 -38.0474     453 -38.1599     454 -38.0120     455 -38.1608
     456 -38.2048     457 -38.8818     458 -38.7081     459 -38.8503     460 -38.8590
     461 -38.8687     462 -38.7197     463 -38.1805     464 -38.3044     465 -38.2286
     466 -38.4535     467 -38.1204     468 -38.3380     469 -38.8312     470 -38.7383
     471 -38.7181     472 -38.7365     473 -38.5472     474 -38.4945     475 -38.2459
     476 -38.0138     477 -38.2647     478 -38.1983     479 -38.1831     480 -37.9767
     481 -38.8283     482 -38.7246     483 -38.8750     484 -38.8110     485 -38.9024
     486 -38.7561     487 -38.1447     488 -38.1989     489 -38.2566     490 -38.3281
     491 -38.2685     492 -38.3711     493 -38.7864     494 -38.5267     495 -38.6267
     496 -38.7701     497 -38.5097     498 -38.4807     499 -38.1770     500 -37.9682
     501 -38.2850     502 -38.1609     503 -38.1138     504 -37.9860     505 -38.2297
     506 -41.1757     507 -71.6889     508 -71.5675     509 -71.3708     510 -71.5904
     511 -71.5874     512 -71.5139     513 -71.4056     514 -71.5807     515 -71.5668
     516 -71.4131     517 -71.4009     518 -71.5419     519 -71.5701     520 -71.6044
     521 -71.5727     522 -71.4285     523 -71.5503     524 -71.4520     525 -71.5554
     526 -71.4599     527 -71.6359     528 -71.4838     529 -71.1664     530 -71.5114
     531 -76.9086     532 -76.8175     533 -76.7694     534 -76.8070     535 -76.6114
     536 -76.5439     537 -76.8047     538 -76.7619     539 -76.8214     540 -76.7638
     541 -76.7821     542 -76.7337     543 -76.6854     544 -76.6514     545 -76.8723
     546 -76.7671     547 -76.8503     548 -76.7665     549 -76.7417     550 -76.5872
     551 -76.5666     552 -76.6794     553 -76.6528     554 -76.6253     555 -76.8940
     556 -76.7721     557 -76.8551     558 -76.7674     559 -76.7942     560 -76.8515
     561 -76.7751     562 -76.6533     563 -76.8020     564 -76.7437     565 -76.6959
     566 -76.6590     567 -76.8074     568 -76.7851     569 -76.5308     570 -76.8396
     571 -76.9284     572 -76.7515     573 -76.7994     574 -76.6585     575 -76.6196
     576 -76.6058     577 -76.6076     578 -76.6228     579 -82.2708     580 -82.3072
     581 -82.3271     582 -82.3275     583 -82.2986     584 -82.2671     585 -82.4595
     586 -82.5356     587 -82.4950     588 -82.2183     589 -82.1634     590 -82.2782
     591 -82.3226     592 -82.2045     593 -82.3199     594 -82.6460     595 -82.5859
     596 -82.5477     597 -82.5496     598 -82.4519     599 -82.5263     600 -82.3137
     601 -82.0931     602 -82.2659     603 -82.5261     604 -82.4175     605 -82.4605
     606 -82.4141     607 -82.2649     608 -82.4191     609 -82.7380     610 -82.3219
     611 -82.3427     612 -82.4325     613 -82.3671     614 -82.2211     615 -82.5890
     616 -82.3873     617 -82.3547     618 -82.6265     619 -82.7884     620 -82.6542
     621 -82.2021     622 -82.3857     623 -82.3782     624 -82.1801     625 -82.3332
     626 -82.2437     627 -82.1290     628 -82.2837     629 -82.3308     630 -82.4669
     631 -82.6370     632 -82.4577     633 -82.4772     634 -82.5021     635 -82.4480
     636 -82.3669     637 -82.3974     638 -82.2908     639 -82.2372     640 -82.4047
     641 -82.3965     642 -82.3746     643 -82.5163     644 -82.4587     645 -82.4387
     646 -82.4416     647 -82.5231     648 -82.3627     649 -82.3669     650 -82.3021
 
 
 
 E-fermi :  -1.4669     XC(G=0):  -6.5158     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.0965      2.00000
      2     -28.9503      2.00000
      3     -28.9336      2.00000
      4     -28.9016      2.00000
      5     -28.8757      2.00000
      6     -28.8429      2.00000
      7     -28.8401      2.00000
      8     -28.8346      2.00000
      9     -28.8198      2.00000
     10     -28.7993      2.00000
     11     -28.7782      2.00000
     12     -28.7627      2.00000
     13     -28.7486      2.00000
     14     -28.7049      2.00000
     15     -28.7006      2.00000
     16     -28.6936      2.00000
     17     -28.6769      2.00000
     18     -28.6644      2.00000
     19     -28.6211      2.00000
     20     -28.6184      2.00000
     21     -28.5860      2.00000
     22     -28.5806      2.00000
     23     -28.5699      2.00000
     24     -28.5298      2.00000
     25     -26.8058      2.00000
     26     -26.7397      2.00000
     27     -26.6878      2.00000
     28     -26.6578      2.00000
     29     -26.6537      2.00000
     30     -26.6282      2.00000
     31     -26.5694      2.00000
     32     -26.5677      2.00000
     33     -26.5589      2.00000
     34     -26.5507      2.00000
     35     -26.5364      2.00000
     36     -26.5348      2.00000
     37     -26.5231      2.00000
     38     -26.5092      2.00000
     39     -26.5037      2.00000
     40     -26.5034      2.00000
     41     -26.4978      2.00000
     42     -26.4884      2.00000
     43     -26.4825      2.00000
     44     -26.4548      2.00000
     45     -26.4536      2.00000
     46     -26.4451      2.00000
     47     -26.4446      2.00000
     48     -26.4170      2.00000
     49     -26.4122      2.00000
     50     -26.4023      2.00000
     51     -26.4009      2.00000
     52     -26.4007      2.00000
     53     -26.3868      2.00000
     54     -26.3848      2.00000
     55     -26.3727      2.00000
     56     -26.3725      2.00000
     57     -26.3672      2.00000
     58     -26.3587      2.00000
     59     -26.3383      2.00000
     60     -26.3335      2.00000
     61     -26.3232      2.00000
     62     -26.3152      2.00000
     63     -26.3064      2.00000
     64     -26.3003      2.00000
     65     -26.2980      2.00000
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   1212      -2.4098      2.00000
   1213      -2.4014      2.00000
   1214      -2.3976      2.00000
   1215      -2.3946      2.00000
   1216      -2.3870      2.00000
   1217      -2.3841      2.00000
   1218      -2.3731      2.00000
   1219      -2.3682      2.00000
   1220      -2.3635      2.00000
   1221      -2.3576      2.00000
   1222      -2.3530      2.00000
   1223      -2.3464      2.00000
   1224      -2.3344      2.00000
   1225      -2.3289      2.00000
   1226      -2.3232      2.00000
   1227      -2.3215      2.00000
   1228      -2.3166      2.00000
   1229      -2.3032      2.00000
   1230      -2.2844      2.00000
   1231      -2.2779      2.00000
   1232      -2.2708      2.00000
   1233      -2.2523      2.00000
   1234      -2.2490      2.00000
   1235      -2.2393      2.00000
   1236      -2.2299      2.00000
   1237      -2.1937      2.00000
   1238      -1.8017      2.03935
   1239      -1.7325      2.06806
   1240      -1.7081      2.07080
   1241      -1.7068      2.07072
   1242      -1.6987      2.06947
   1243      -1.6671      2.05049
   1244      -1.6444      2.01847
   1245      -1.6318      1.99216
   1246      -1.6193      1.95933
   1247      -1.6145      1.94505
   1248      -1.5962      1.87986
   1249      -1.5860      1.83623
   1250       0.1320     -0.00000
   1251       0.1582     -0.00000
   1252       0.2022     -0.00000
   1253       0.2433     -0.00000
   1254       0.2474     -0.00000
   1255       0.2565     -0.00000
   1256       0.2606     -0.00000
   1257       0.3224     -0.00000
   1258       0.3333     -0.00000
   1259       0.3467     -0.00000
   1260       0.3644     -0.00000
   1261       0.4336     -0.00000
   1262       0.6300     -0.00000
   1263       0.6528     -0.00000
   1264       0.6783     -0.00000
   1265       0.7070     -0.00000
   1266       0.7201     -0.00000
   1267       0.7387     -0.00000
   1268       0.7737     -0.00000
   1269       0.7777     -0.00000
   1270       0.7990     -0.00000
   1271       0.8214     -0.00000
   1272       0.8383     -0.00000
   1273       0.8685     -0.00000
   1274       0.8784     -0.00000
   1275       0.9082     -0.00000
   1276       0.9208     -0.00000
   1277       0.9379     -0.00000
   1278       0.9475     -0.00000
   1279       0.9922     -0.00000
   1280       1.0011     -0.00000
   1281       1.0151     -0.00000
   1282       1.0569     -0.00000
   1283       1.1082     -0.00000
   1284       1.1230     -0.00000
   1285       1.1874     -0.00000
   1286       1.2333     -0.00000
   1287       1.2525     -0.00000
   1288       1.3184     -0.00000
   1289       1.3613     -0.00000
   1290       1.3962     -0.00000
   1291       1.4615     -0.00000
   1292       1.5145     -0.00000
   1293       1.5266     -0.00000
   1294       1.5703     -0.00000
   1295       1.5920     -0.00000
   1296       1.6343     -0.00000
   1297       1.6659     -0.00000
   1298       1.8208     -0.00000
   1299       1.8548     -0.00000
   1300       1.8675     -0.00000
   1301       1.8996     -0.00000
   1302       1.9066     -0.00000
   1303       1.9341     -0.00000
   1304       1.9881     -0.00000
   1305       1.9993     -0.00000
   1306       2.0410     -0.00000
   1307       2.0688     -0.00000
   1308       2.0741     -0.00000
   1309       2.0986     -0.00000
   1310       2.1154     -0.00000
   1311       2.1559     -0.00000
   1312       2.1626     -0.00000
   1313       2.1680     -0.00000
   1314       2.1824     -0.00000
   1315       2.2023     -0.00000
   1316       2.2269     -0.00000
   1317       2.2317     -0.00000
   1318       2.2406     -0.00000
   1319       2.2561     -0.00000
   1320       2.2919     -0.00000
   1321       2.3578     -0.00000
   1322       2.4335     -0.00000
   1323       2.4484     -0.00000
   1324       2.4557     -0.00000
   1325       2.4820     -0.00000
   1326       2.5078     -0.00000
   1327       2.5264     -0.00000
   1328       2.5385     -0.00000
   1329       2.5459     -0.00000
   1330       2.5619     -0.00000
   1331       2.5629     -0.00000
   1332       2.5790     -0.00000
   1333       2.6009     -0.00000
   1334       2.6055     -0.00000
   1335       2.6188     -0.00000
   1336       2.6359     -0.00000
   1337       2.6575     -0.00000
   1338       2.6684     -0.00000
   1339       2.6755     -0.00000
   1340       2.6790     -0.00000
   1341       2.6872     -0.00000
   1342       2.7186     -0.00000
   1343       2.7577     -0.00000
   1344       2.7843     -0.00000
   1345       2.7915     -0.00000
   1346       2.9608     -0.00000
   1347       2.9871     -0.00000
   1348       3.0086     -0.00000
   1349       3.0204     -0.00000
   1350       3.0297     -0.00000
   1351       3.0612     -0.00000
   1352       3.0811     -0.00000
   1353       3.1005     -0.00000
   1354       3.1209     -0.00000
   1355       3.1463     -0.00000
   1356       3.1588     -0.00000
   1357       3.1640     -0.00000
   1358       3.1711     -0.00000
   1359       3.2007     -0.00000
   1360       3.2363     -0.00000
   1361       3.2618     -0.00000
   1362       3.3205     -0.00000
   1363       3.4434     -0.00000
   1364       3.5175     -0.00000
   1365       3.5649     -0.00000
   1366       3.6008     -0.00000
   1367       3.6489     -0.00000
   1368       3.7032     -0.00000
   1369       3.7223     -0.00000
   1370       3.7549     -0.00000
   1371       3.8041     -0.00000
   1372       3.8104     -0.00000
   1373       3.8453     -0.00000
   1374       3.8592      0.00000
   1375       3.8687      0.00000
   1376       3.8870      0.00000
   1377       3.8973      0.00000
   1378       3.9132      0.00000
   1379       3.9334      0.00000
   1380       3.9391      0.00000
   1381       3.9484      0.00000
   1382       3.9627      0.00000
   1383       3.9684      0.00000
   1384       3.9867      0.00000
   1385       3.9997      0.00000
   1386       4.0158      0.00000
   1387       4.0201      0.00000
   1388       4.0294      0.00000
   1389       4.0421      0.00000
   1390       4.0529      0.00000
   1391       4.0692      0.00000
   1392       4.0803      0.00000
   1393       4.1001      0.00000
   1394       4.1080      0.00000
   1395       4.1133      0.00000
   1396       4.1294      0.00000
   1397       4.1386      0.00000
   1398       4.1469      0.00000
   1399       4.1623      0.00000
   1400       4.1773      0.00000
   1401       4.1835      0.00000
   1402       4.2092      0.00000
   1403       4.2224      0.00000
   1404       4.2376      0.00000
   1405       4.2388      0.00000
   1406       4.2416      0.00000
   1407       4.2618      0.00000
   1408       4.2912      0.00000
   1409       4.3101      0.00000
   1410       4.3239      0.00000
   1411       4.3394      0.00000
   1412       4.3426      0.00000
   1413       4.3537      0.00000
   1414       4.3642      0.00000
   1415       4.3926      0.00000
   1416       4.4047      0.00000
   1417       4.4225      0.00000
   1418       4.4276      0.00000
   1419       4.4459      0.00000
   1420       4.4510      0.00000
   1421       4.4656      0.00000
   1422       4.4723      0.00000
   1423       4.4863      0.00000
   1424       4.5079      0.00000
   1425       4.5321      0.00000
   1426       4.5453      0.00000
   1427       4.5531      0.00000
   1428       4.5612      0.00000
   1429       4.5911      0.00000
   1430       4.6141      0.00000
   1431       4.6333      0.00000
   1432       4.6602      0.00000
   1433       4.6805      0.00000
   1434       4.6905      0.00000
   1435       4.7517      0.00000
   1436       4.7714      0.00000
   1437       4.7993      0.00000
   1438       4.8099      0.00000
   1439       4.8281      0.00000
   1440       4.8408      0.00000
   1441       4.8709      0.00000
   1442       4.8757      0.00000
   1443       4.9133      0.00000
   1444       4.9297      0.00000
   1445       4.9357      0.00000
   1446       4.9454      0.00000
   1447       4.9714      0.00000
   1448       4.9752      0.00000
   1449       5.0041      0.00000
   1450       5.0167      0.00000
   1451       5.0356      0.00000
   1452       5.0418      0.00000
   1453       5.0611      0.00000
   1454       5.0826      0.00000
   1455       5.1023      0.00000
   1456       5.1044      0.00000
   1457       5.1294      0.00000
   1458       5.1400      0.00000
   1459       5.1486      0.00000
   1460       5.1637      0.00000
   1461       5.1903      0.00000
   1462       5.2001      0.00000
   1463       5.2282      0.00000
   1464       5.2348      0.00000
   1465       5.2364      0.00000
   1466       5.2505      0.00000
   1467       5.2560      0.00000
   1468       5.2760      0.00000
   1469       5.2845      0.00000
   1470       5.2988      0.00000
   1471       5.3073      0.00000
   1472       5.3203      0.00000
   1473       5.3310      0.00000
   1474       5.3463      0.00000
   1475       5.3504      0.00000
   1476       5.3526      0.00000
   1477       5.3661      0.00000
   1478       5.3696      0.00000
   1479       5.3769      0.00000
   1480       5.3863      0.00000
   1481       5.3948      0.00000
   1482       5.4085      0.00000
   1483       5.4204      0.00000
   1484       5.4265      0.00000
   1485       5.4404      0.00000
   1486       5.4490      0.00000
   1487       5.4604      0.00000
   1488       5.4714      0.00000
   1489       5.4750      0.00000
   1490       5.4873      0.00000
   1491       5.4889      0.00000
   1492       5.5060      0.00000
   1493       5.5065      0.00000
   1494       5.5146      0.00000
   1495       5.5256      0.00000
   1496       5.5392      0.00000
   1497       5.5513      0.00000
   1498       5.5571      0.00000
   1499       5.5601      0.00000
   1500       5.5746      0.00000
   1501       5.5888      0.00000
   1502       5.5964      0.00000
   1503       5.6087      0.00000
   1504       5.6114      0.00000
   1505       5.6126      0.00000
   1506       5.6227      0.00000
   1507       5.6357      0.00000
   1508       5.6425      0.00000
   1509       5.6452      0.00000
   1510       5.6582      0.00000
   1511       5.6652      0.00000
   1512       5.6740      0.00000
   1513       5.6825      0.00000
   1514       5.7038      0.00000
   1515       5.7169      0.00000
   1516       5.7199      0.00000
   1517       5.7260      0.00000
   1518       5.7334      0.00000
   1519       5.7457      0.00000
   1520       5.7580      0.00000
   1521       5.7613      0.00000
   1522       5.7795      0.00000
   1523       5.7870      0.00000
   1524       5.7977      0.00000
   1525       5.8132      0.00000
   1526       5.8188      0.00000
   1527       5.8216      0.00000
   1528       5.8379      0.00000
   1529       5.8540      0.00000
   1530       5.8647      0.00000
   1531       5.8682      0.00000
   1532       5.8765      0.00000
   1533       5.8851      0.00000
   1534       5.8931      0.00000
   1535       5.8998      0.00000
   1536       5.9115      0.00000
   1537       5.9220      0.00000
   1538       5.9300      0.00000
   1539       5.9350      0.00000
   1540       5.9424      0.00000
   1541       5.9718      0.00000
   1542       5.9763      0.00000
   1543       5.9813      0.00000
   1544       5.9883      0.00000
   1545       5.9926      0.00000
   1546       6.0101      0.00000
   1547       6.0180      0.00000
   1548       6.0285      0.00000
   1549       6.0335      0.00000
   1550       6.0511      0.00000
   1551       6.0533      0.00000
   1552       6.0590      0.00000
   1553       6.0648      0.00000
   1554       6.0707      0.00000
   1555       6.0778      0.00000
   1556       6.0934      0.00000
   1557       6.1014      0.00000
   1558       6.1086      0.00000
   1559       6.1182      0.00000
   1560       6.1321      0.00000
   1561       6.1452      0.00000
   1562       6.1518      0.00000
   1563       6.1632      0.00000
   1564       6.1673      0.00000
   1565       6.1750      0.00000
   1566       6.1827      0.00000
   1567       6.1978      0.00000
   1568       6.2029      0.00000
   1569       6.2093      0.00000
   1570       6.2148      0.00000
   1571       6.2258      0.00000
   1572       6.2339      0.00000
   1573       6.2402      0.00000
   1574       6.2459      0.00000
   1575       6.2506      0.00000
   1576       6.2740      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.089  13.414  -0.001   0.001  -0.000   0.001  -0.004   0.000
 13.414  17.833  -0.001   0.002  -0.000   0.002  -0.006   0.001
 -0.001  -0.001  -4.234   0.003   0.001   8.282  -0.004  -0.001
  0.001   0.002   0.003  -4.234   0.001  -0.004   8.281  -0.001
 -0.000  -0.000   0.001   0.001  -4.227  -0.001  -0.001   8.272
  0.001   0.002   8.282  -0.004  -0.001 -18.328   0.007   0.001
 -0.004  -0.006  -0.004   8.281  -0.001   0.007 -18.324   0.000
  0.000   0.001  -0.001  -0.001   8.272   0.001   0.000 -18.317
 total augmentation occupancy for first ion, spin component:           1
  8.446  -3.803   0.186   0.152  -0.045   0.024   0.028  -0.007
 -3.803   1.785  -0.099  -0.102   0.026  -0.010  -0.017   0.004
  0.186  -0.099   1.779  -0.060  -0.040   0.168  -0.012  -0.007
  0.152  -0.102  -0.060   1.896  -0.092  -0.012   0.177  -0.013
 -0.045   0.026  -0.040  -0.092   1.227  -0.008  -0.012   0.081
  0.024  -0.010   0.168  -0.012  -0.008   0.018  -0.002  -0.001
  0.028  -0.017  -0.012   0.177  -0.012  -0.002   0.018  -0.002
 -0.007   0.004  -0.007  -0.013   0.081  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -49971.28374 88862.22159 21862.19484-10237.25578  6284.16939 19143.09114
  Hartree  5694.93838115852.36330 59726.04095-10688.63779  4268.46065 13389.10551
  E(xc)  -10735.15531-10588.31296-10629.62850     2.88292     8.11069    33.41554
  Local   10850.51278************************ 20925.00867-10575.19204-31928.79336
  n-local -5844.44325 -5981.27345 -6035.81092     4.28157    17.07632   -65.24731
  augment  1493.01649  1536.04260  1486.87945     4.62763    12.54970    -3.55813
  Kinetic 45488.49097 43267.72684 43647.78981   -30.21192   -67.17656  -577.44947
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -116.0649574   -389.3877427   -158.9160417    -19.3047037    -52.0018524     -9.4360841
  in kB      -19.3547607    -64.9335229    -26.5005220     -3.2192139     -8.6717251     -1.5735426
  external PRESSURE =     -36.9296019 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.227E+03 -.107E+03 0.247E+03   0.227E+03 0.107E+03 -.249E+03   -.854E-01 -.346E+00 0.146E+01   0.233E-03 0.549E-04 -.129E-03
   -.186E+03 -.134E+03 0.614E+02   0.186E+03 0.135E+03 -.611E+02   0.182E+00 -.122E+01 -.216E+00   0.131E-03 0.946E-05 -.456E-04
   -.155E+03 -.126E+03 0.616E+01   0.154E+03 0.127E+03 -.452E+01   0.416E+00 -.111E+01 -.151E+01   0.881E-04 -.465E-04 -.791E-05
   -.214E+03 -.932E+02 0.333E+03   0.214E+03 0.931E+02 -.335E+03   -.357E+00 0.187E+00 0.233E+01   0.348E-03 -.157E-04 -.286E-03
   -.161E+03 -.145E+03 0.298E+03   0.161E+03 0.146E+03 -.299E+03   0.936E-01 -.627E+00 0.108E+01   0.232E-03 -.878E-04 -.230E-03
   -.139E+03 -.111E+03 0.166E+03   0.139E+03 0.111E+03 -.166E+03   0.172E+00 -.238E+00 0.164E+00   0.742E-04 -.105E-03 -.622E-04
   -.228E+03 -.129E+03 0.175E+03   0.227E+03 0.133E+03 -.176E+03   0.600E+00 -.429E+01 0.945E+00   0.248E-03 0.107E-03 -.982E-04
   -.182E+03 -.105E+03 0.318E+02   0.182E+03 0.109E+03 -.338E+02   -.554E+00 -.412E+01 0.202E+01   0.124E-03 0.730E-04 -.923E-05
   -.991E+02 0.561E+01 0.194E+03   0.990E+02 -.561E+01 -.194E+03   0.997E-01 -.617E-01 0.230E+00   0.112E-04 -.874E-04 -.268E-04
   -.788E+02 0.884E+02 0.617E+02   0.783E+02 -.900E+02 -.606E+02   0.477E+00 0.146E+01 -.110E+01   0.885E-05 -.516E-04 0.753E-04
   -.860E+02 0.103E+03 0.133E+03   0.859E+02 -.104E+03 -.133E+03   0.145E+00 0.103E+01 0.438E-01   -.102E-04 -.179E-04 0.512E-04
   -.995E+02 -.336E+01 0.329E+03   0.996E+02 0.309E+01 -.330E+03   -.108E+00 0.109E+00 0.114E+01   0.624E-04 -.645E-04 -.137E-03
   -.107E+03 -.465E+02 0.356E+03   0.107E+03 0.476E+02 -.358E+03   -.216E+00 -.108E+01 0.213E+01   0.471E-04 0.508E-04 -.135E-03
   -.107E+03 0.177E+02 0.300E+03   0.107E+03 -.176E+02 -.302E+03   -.707E-01 -.385E-01 0.144E+01   -.283E-04 0.233E-04 -.184E-04
   -.989E+02 0.106E+03 0.262E+03   0.981E+02 -.110E+03 -.264E+03   0.609E+00 0.387E+01 0.227E+01   0.124E-04 0.668E-04 -.391E-04
   -.828E+02 0.115E+03 0.103E+03   0.828E+02 -.118E+03 -.107E+03   0.551E-01 0.304E+01 0.338E+01   0.602E-04 -.237E-04 0.102E-04
   -.676E+02 0.105E+03 0.511E+02   0.681E+02 -.100E+03 -.469E+02   -.566E+00 -.454E+01 -.412E+01   0.619E-04 -.217E-05 -.523E-04
   -.913E+00 0.203E+03 -.149E+03   0.398E+00 -.205E+03 0.151E+03   0.392E+00 0.175E+01 -.190E+01   0.111E-03 -.508E-04 -.211E-04
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 -----------------------------------------------------------------------------------------------
   0.241E+02 0.235E+01 -.809E+01   -.135E-10 0.199E-11 -.239E-11   -.241E+02 -.235E+01 0.808E+01   -.339E-03 -.292E-02 -.168E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.13353      3.14617      1.33904         0.060267      0.109829     -0.076103
     12.90229      3.58466      2.63839        -0.035866     -0.045541      0.097595
     12.85487      4.93939      2.96950         0.067755      0.279159      0.137631
     13.18387      4.07665      0.30612        -0.014878      0.125081     -0.178417
     13.04728      5.43318      0.62025         0.010791      0.129649     -0.014046
     12.96505      5.92532      1.94721         0.082922     -0.131888      0.047336
     13.28021      1.66411      1.34612        -0.007120      0.173594      0.036683
     12.70273      2.37999      3.50168         0.054411     -0.090712     -0.063746
     13.06655      7.40662      2.21167         0.000877     -0.055529      0.170531
     13.08161      7.96678      3.51578        -0.014455     -0.136097      0.071391
     13.31546      9.33282      3.68503        -0.040610     -0.021618      0.123859
     13.23594      8.31864      1.14182        -0.001518     -0.160122     -0.082201
     13.45818      9.68608      1.31372         0.002273      0.030710     -0.036371
     13.51643     10.19228      2.61236         0.030275      0.050239     -0.046345
     13.75827     11.57492      3.13113        -0.101354     -0.362557      0.268207
     13.38132     10.13222      4.95118         0.078714      0.084912     -0.429179
     13.75309     12.59469      5.49485        -0.062902      0.074171      0.090216
     13.49497     12.47301      6.86691        -0.122968     -0.058236      0.123999
     13.53764     13.57983      7.71658        -0.098795     -0.183283     -0.045750
     14.09623     13.89027      5.06966        -0.035758     -0.114724      0.197384
     14.14136     14.99533      5.93976         0.021048     -0.026255      0.046849
     13.83801     14.89811      7.34935         0.033524     -0.055438     -0.293194
     13.88555     15.99860      8.39718         0.064617      0.111013     -0.021850
     13.24639     16.03530      9.68810        -0.025566     -0.051266     -0.050470
     13.32845     17.18145     10.50226        -0.083040     -0.102316     -0.014963
     14.62901     17.16388      8.12609         0.028001      0.023508     -0.098442
     14.62591     18.32511      8.88685         0.086868     -0.003888      0.075255
     13.94577     18.35870     10.09451         0.067056     -0.000147     -0.042150
     12.43335     14.91967     10.31464         0.033979      0.084438      0.102936
     14.71489     16.21733      5.25575        -0.181194     -0.011592      0.170636
      9.81341      3.84502      4.72801         0.030998     -0.006894     -0.026451
      9.71870      4.77174      3.69469        -0.000175     -0.073041     -0.020837
      9.76686      6.15019      3.94748         0.011067      0.145475     -0.021902
     10.01768      4.26403      6.03419         0.064125      0.106273      0.153714
     10.08719      5.63230      6.29225         0.107335      0.117058     -0.019050
      9.95818      6.62129      5.28029        -0.020020      0.021051     -0.029466
      9.59568      2.47098      4.20231         0.110596      0.559299     -0.237464
      9.58446      3.99796      2.40978        -0.013806      0.030784     -0.094224
     10.02749      8.08287      5.66766        -0.016250     -0.080417     -0.102825
     10.07457      9.13669      4.71949        -0.044760     -0.000963     -0.127025
     10.19440     10.45620      5.15474        -0.060936      0.060327     -0.157482
     10.02668      8.47229      7.03314         0.097270     -0.155051     -0.053628
     10.09559      9.80353      7.46256         0.007615     -0.056515      0.007101
     10.20514     10.80689      6.50273         0.032113     -0.034398     -0.064777
     10.28176     12.29287      6.61663        -0.021917     -0.045258     -0.033468
     10.28664     11.70978      4.34594         0.023752     -0.031437     -0.014150
     10.71915     14.15500      4.89079         0.066486      0.106596     -0.100867
     11.24315     14.48733      3.63588         0.042189     -0.073711     -0.162235
     11.61338     15.79584      3.32735         0.126967      0.039559      0.030562
     10.58024     15.23860      5.77021         0.053346      0.014836     -0.040478
     10.96099     16.56263      5.45795         0.116484      0.058813      0.086802
     11.53346     16.92252      4.17693         0.103721     -0.012780     -0.148747
     12.04629     18.30161      3.70263        -0.165590     -0.001010      0.174320
     12.63544     18.70148      2.44080         0.084250     -0.107721     -0.117554
     12.95319     20.05067      2.17752        -0.073836     -0.144300      0.012956
     11.93639     19.40226      4.58209         0.022189      0.041677     -0.040622
     12.21497     20.74005      4.31014        -0.081171      0.036316      0.136758
     12.69877     21.11479      3.05532        -0.052925     -0.067057      0.044114
     13.09758     17.80829      1.26972        -0.120714      0.096663      0.063667
     10.78543     17.48319      6.66218        -0.095817     -0.161342      0.191125
     10.51833      7.06814     14.73850         0.137671     -0.043750     -0.058220
     10.43611      7.48895     16.06124         0.010372      0.155205      0.049703
     10.45147      8.84833     16.40251         0.082738      0.288425      0.214000
     10.53675      8.01173     13.71773        -0.056716      0.241570     -0.197047
     10.46867      9.37279     14.05309         0.016158     -0.021475      0.068276
     10.47765      9.85971     15.38831         0.127821     -0.245673      0.138489
     10.56124      5.57732     14.69330         0.102891     -0.206542     -0.315619
     10.27697      6.26211     16.91446        -0.013551     -0.047285     -0.066258
     10.54569     11.36095     15.64585         0.073998     -0.055906      0.149088
     10.61094     11.97111     16.93207         0.022184     -0.205018      0.122153
     10.71741     13.36434     17.05278         0.016436     -0.042645      0.103246
     10.60253     12.25495     14.54705         0.022395     -0.166869      0.006116
     10.73628     13.64064     14.66455         0.023685      0.006419     -0.039631
     10.79503     14.20031     15.94113         0.031021      0.064538      0.013254
     10.92747     15.62522     16.39867        -0.097661     -0.360337      0.134611
     10.75463     14.23061     18.28576         0.057731      0.098212     -0.363076
     10.75068     16.76528     18.69463        -0.028872      0.016484      0.162640
     10.08478     16.74034     19.92029        -0.070488     -0.190424     -0.105492
      9.91475     17.90126     20.67186        -0.053193     -0.075917      0.055135
     11.27969     18.02261     18.35509        -0.023526     -0.080557      0.043486
     11.14519     19.19495     19.14009         0.147069     -0.013878     -0.143417
     10.40403     19.19068     20.39474         0.039819      0.073986      0.055907
     10.11134     20.34136      0.14054        -0.076480     -0.049612      0.067316
      9.43447     20.29849      1.43248         0.020324     -0.054751     -0.214953
      9.23129      0.19597      2.21858         0.022431      0.058723      0.011384
     10.50306      0.39908     21.09455         0.098019      0.063657     -0.020594
     10.30627      1.54661      0.61161        -0.035613      0.018943     -0.008016
      9.67949      1.47894      1.85950         0.073501     -0.057522     -0.133769
      8.77413     19.08138      2.06013         0.269289      0.052867      0.104363
     11.92888     20.35374     18.49384        -0.152211     -0.061994      0.142540
      7.29820      7.64736     17.36654        -0.061530      0.030372      0.096605
      7.15097      8.57396     16.33729        -0.052266      0.071797      0.013294
      7.09633      9.94901     16.61035         0.000269      0.216116     -0.005498
      7.49331      8.06868     18.67649        -0.032935      0.026092      0.038630
      7.50692      9.43813     18.94340         0.080766      0.187251     -0.005086
      7.28600     10.42880     17.94553        -0.018256      0.014626      0.004621
      7.06119      6.27852     16.84137         0.102275      0.260987     -0.165428
      7.02202      7.79827     15.04803         0.082622     -0.123376      0.002345
      7.25223     11.89476     18.36682        -0.013712     -0.011440     -0.149292
      7.16938     12.99068     17.45755        -0.026721     -0.209454     -0.183788
      7.18141     14.30725     17.93083        -0.043994      0.137499     -0.053090
      7.33837     12.24140     19.74309         0.083967     -0.151580     -0.139561
      7.34515     13.56047     20.20982        -0.058834     -0.104651      0.061225
      7.24014     14.60370     19.29315         0.014048      0.010406     -0.058288
      7.19003     16.08710     19.48362        -0.004248      0.152348      0.165348
      7.18584     15.61352     17.18365        -0.024363      0.083161     -0.006307
      7.51480     18.06244     17.86943         0.073045      0.050561     -0.080027
      8.30856     18.42955     16.77946         0.015356     -0.220223     -0.039532
      8.67147     19.75502     16.55832         0.187662      0.098822     -0.062022
      7.07022     19.13557     18.65459         0.001096     -0.012857     -0.010374
      7.43192     20.49158     18.42293        -0.073453     -0.031123      0.143329
      8.30761     20.87997     17.33078         0.123411      0.057781     -0.147047
      8.88287      1.01172     16.92125        -0.040132      0.022330      0.077384
      9.60297      1.37451     15.69987        -0.047011      0.157908      0.138758
     10.02858      2.71105     15.50164         0.303459      0.059357     -0.159169
      8.72896      2.12473     17.78889         0.022475     -0.238830      0.079037
      9.20819      3.42852     17.59839        -0.130609      0.021515     -0.162809
      9.85118      3.77745     16.40557         0.088051     -0.415538     -0.255809
     10.09203      0.50981     14.50313         0.215727     -0.377915      0.004617
      6.73863      0.15296     19.43178        -0.161163     -0.100915     -0.067594
      6.92013     10.82986      6.18588        -0.003542      0.016844     -0.049530
      6.84016     11.27602      7.50157         0.025596      0.021110      0.018125
      6.88183     12.64217      7.82511         0.062250      0.313326      0.139913
      7.08583     11.76198      5.15918        -0.035423      0.119616     -0.027793
      7.14997     13.12613      5.48301        -0.044575      0.086251      0.022568
      7.04267     13.63528      6.80512        -0.044898     -0.047960      0.165544
      6.91584      9.33047      6.16922        -0.058979      0.242396      0.405184
      6.82451     10.05741      8.38751        -0.023085     -0.088323     -0.144579
      7.14102     15.14757      7.04801        -0.093851     -0.092703      0.206861
      7.12399     15.77305      8.33404        -0.010426     -0.186293      0.058403
      7.24369     17.17019      8.45431         0.018854     -0.023073      0.034792
      7.29841     16.03424      5.94649        -0.082362     -0.139137     -0.053250
      7.38130     17.42403      6.07060        -0.082256     -0.038500     -0.045415
      7.32783     17.99674      7.33846        -0.026939      0.024581     -0.118717
      7.46109     19.43154      7.75775        -0.006052     -0.472277      0.314505
      7.44063     18.04192      9.66804        -0.006735      0.242399     -0.472491
      7.66261     20.57665     10.02512         0.066427      0.104679      0.089008
      7.21018     20.56908     11.33976        -0.050686     -0.179630      0.061129
      7.20549      0.45999     12.11143        -0.030000      0.158100      0.069206
      8.26557      0.52874      9.62780         0.080945      0.017463      0.013770
      8.36290      1.67192     10.46511         0.140092      0.010003     -0.065915
      7.72601      1.71921     11.77494        -0.023231     -0.121745      0.205130
      7.52704      2.86477     12.79881        -0.162035     -0.233035      0.195747
      6.89543      2.83461     14.12878         0.111105     -0.112172     -0.349661
      6.70606      4.00261     14.88313         0.107960      0.215256     -0.008364
      7.93003      4.16562     12.46873         0.129972      0.266460      0.001457
      7.79800      5.31575     13.26353        -0.016449      0.107691     -0.306179
      7.16535      5.27763     14.50504         0.004432     -0.216810      0.058512
      6.29355      1.64822     14.87985        -0.034407     -0.233358     -0.061934
      9.33472      2.71455      9.90143         0.003707     -0.270686     -0.035582
      4.27868     11.51575     10.51650        -0.061161      0.007773      0.081334
      4.02871     12.38130      9.45937        -0.033428      0.107059     -0.081843
      4.12293     13.76786      9.60884         0.000614      0.153425     -0.150471
      4.65269     12.03473     11.75742         0.033268      0.118542     -0.032506
      4.67383     13.42610     11.92772         0.081471      0.076400     -0.016077
      4.42351     14.34251     10.87156        -0.035844      0.018460     -0.140490
      3.87588     10.13419     10.12797        -0.063384      0.110243     -0.240912
      3.53729     11.57394      8.29344         0.118092     -0.138100      0.234114
      4.43900     15.84166     11.10660        -0.067009     -0.096071     -0.191758
      4.07053     16.79511     10.10673        -0.029389     -0.209365      0.000222
      4.11138     18.16300     10.39596        -0.018775      0.017724      0.016077
      4.84013     16.35330     12.36606        -0.009099     -0.111893      0.001168
      4.79847     17.71347     12.67563        -0.033687     -0.075195     -0.061497
      4.41025     18.60443     11.68081         0.046630     -0.069411      0.128288
      4.28294     20.07399     11.73438         0.012208      0.090133      0.221977
      3.95560     19.38638      9.53299        -0.226502      0.098083     -1.063329
      4.35133      0.63302     10.02037         0.148220      0.106113     -0.164198
      4.84515      0.99948      8.76747        -0.054773     -0.271528     -0.153840
      5.35523      2.27152      8.56224         0.178364      0.126675     -0.027571
      4.23477      1.70729     10.90782        -0.025324     -0.097348     -0.014162
      4.73718      3.01480     10.68040        -0.003771      0.126427     -0.034508
      5.43923      3.36009      9.46298         0.030273      0.155145     -0.165194
      6.06458      4.71905      8.95714        -0.135303     -0.050850      0.069225
      6.54216      5.03407      7.62579        -0.037913     -0.094215      0.029880
      6.84428      6.35484      7.19555        -0.086065     -0.141641      0.008388
      6.06030      5.88686      9.74992        -0.046881     -0.052974      0.212021
      6.27974      7.19774      9.31257         0.112991      0.044809      0.029751
      6.64912      7.50299      7.99278        -0.057676     -0.022794      0.184041
      6.71032      3.99087      6.52807        -0.059584      0.252474     -0.190547
      4.20689      3.84592     11.84114        -0.019856     -0.072948      0.124635
      0.85154     14.12367      0.98623        -0.194544     -0.011319     -0.288299
      1.51702     14.56515      2.12144         0.080420      0.210638     -0.000079
      1.55479     15.95452      2.41165        -0.006910      0.013113      0.051071
      0.36472     15.01688      0.03877        -0.058377     -0.132311      0.019492
      0.49110     16.37850      0.28856        -0.124133      0.080130     -0.106182
      1.00760     16.92045      1.49252         0.058402     -0.106101      0.185384
      0.79072     12.64543      0.94962         0.079441      0.319358      0.132032
      2.15684     13.31492      2.74051        -0.367065      0.099571     -0.478156
      0.94133     18.44926      1.65857        -0.062288      0.120090      0.044638
      1.32153     19.20454      2.81094         0.064675     -0.298302      0.142231
      1.21014     20.60471      2.82075        -0.002656      0.107198     -0.116510
      0.43410     19.23366      0.57635         0.029005     -0.240937      0.046429
      0.25432     20.61828      0.61328        -0.003518     -0.040160     -0.163431
      0.65361      0.04801      1.75060        -0.062317      0.052993      0.117239
      0.57519      1.50683      2.07056         0.151194     -0.463622      0.282542
      1.66452      0.36691      3.83231        -0.168086      0.013033     -0.357564
      1.33177      2.91755      4.05610        -0.022859      0.029251     -0.177131
      1.94595      3.00712      5.30145         0.251728     -0.088158      0.145188
      2.08533      4.22388      5.95459         0.028927     -0.053188     -0.045608
      0.79391      4.13669      3.59133         0.032803      0.069377      0.283113
      0.88777      5.35467      4.31510        -0.071079     -0.130802      0.085001
      1.62903      5.48893      5.55104        -0.051654     -0.159831     -0.048384
      1.99627      6.70647      6.42370         0.093895      0.061647      0.098780
      2.46624      6.68735      7.78971         0.120069     -0.211122      0.232252
      2.88869      7.83510      8.48389        -0.015469     -0.037210     -0.006521
      2.01861      8.03099      5.92598        -0.142046      0.112119     -0.211666
      2.47489      9.18319      6.59863         0.012417     -0.046139     -0.098842
      2.94539      9.11528      7.92751         0.086866      0.001952     -0.073821
      2.74343      5.45773      8.64017         0.165432      0.222779     -0.020952
      0.06733      6.44735      3.68050         0.139281      0.054577     -0.248146
      4.61998     14.07512      0.66112         0.049750      0.180086      0.185620
      4.04202     14.98225     -0.22921        -0.000199      0.196702      0.144815
      4.07835     16.37496      0.00750        -0.079654      0.294176     -0.070254
      5.26136     14.56343      1.79985         0.017385     -0.052292      0.070016
      5.24690     15.94061      2.05381         0.000351      0.085275      0.057808
      4.64738     16.92163      1.21204        -0.014775     -0.141378     -0.163153
      4.42038     12.67650      0.17801        -0.012453      0.204681     -0.065150
      3.42730     14.15670     19.92078        -0.057674      0.118522      0.113603
      4.68947     18.40722      1.65848        -0.064963      0.039525     -0.141699
      4.16783     19.54810      0.96556        -0.119342      0.024368     -0.166091
      4.32181     20.86249      1.48226         0.005134      0.097927      0.036032
      5.32296     18.71659      2.89202        -0.113274     -0.036259     -0.023859
      5.50736     20.00669      3.39271        -0.085246      0.183660      0.064266
      5.01635     21.09611      2.66645         0.063024      0.062996      0.127286
      5.12821      1.32237      2.93108        -0.383897     -0.257143     -0.527492
      3.85032      0.96509      0.98216         0.125147      0.101520      0.145585
      4.05250      3.45007      1.86158         0.021234      0.025799     -0.007258
      3.16172      4.03698      0.94137        -0.044014     -0.098031     -0.111829
      2.93176      5.41981      0.86378         0.037191     -0.037664      0.058006
      4.61027      4.40949      2.74383        -0.113513     -0.206144     -0.054619
      4.27066      5.79200      2.73942        -0.159429     -0.134534     -0.062337
      3.43568      6.41187      1.73784        -0.000881      0.158512      0.008419
      3.03149      7.92389      1.61803         0.283211     -0.037253      0.274666
      1.84641      8.49063      1.01582        -0.108993     -0.225083      0.047779
      1.51716      9.84647      1.13918         0.117899      0.028649      0.297624
      3.79860      8.93895      2.26331        -0.224836     -0.198128     -0.090095
      3.40128     10.26991      2.50330        -0.061429      0.086640     -0.056452
      2.23478     10.79039      1.90639        -0.150671     -0.241545     -0.050995
      0.82465      7.73522      0.15803        -0.013833      0.165914     -0.193330
      4.90464      6.49795      3.91680        -0.029499      0.126887     -0.220362
     18.02667     17.33407     13.78020         0.064985      0.001968     -0.005730
     19.02790     17.80589     14.62382         0.082206     -0.005766      0.132645
     19.27952     19.17339     14.78931         0.001886      0.125203      0.152854
     17.32697     18.23966     12.98418        -0.071955      0.130307     -0.096959
     17.63119     19.60367     13.08172         0.042963      0.082044      0.032781
     18.54944     20.12986     14.02824         0.004777      0.007824      0.077360
     17.98226     15.83960     13.86545         0.014166      0.010784      0.043410
     19.72753     16.61787     15.22033        -0.163315     -0.022566     -0.119650
     18.67593      0.36892     14.22811         0.092901     -0.155673      0.142261
     19.59219      0.94733     15.15012         0.040597     -0.149485      0.115438
     19.58308      2.32718     15.37045         0.079884      0.156960      0.111978
     17.80663      1.26353     13.55237         0.022488     -0.147119      0.004366
     17.81493      2.64691     13.76355         0.004831     -0.102823     -0.029851
     18.71743      3.17540     14.68286        -0.089442      0.151932      0.025551
     18.93255      4.59204     15.13057         0.126136     -0.271146      0.101208
     20.37605      3.17242     16.33288        -0.057577      0.054835      0.039760
     20.57639      5.68282     16.76398        -0.223045      0.032443     -0.144833
      0.63438      5.67529     17.19901         0.281206      0.222704      0.211033
      1.23511      6.83115     17.69991         0.004186     -0.143628     -0.147257
     19.89025      6.88464     16.99172         0.205265      0.197841      0.005731
     20.49885      8.04912     17.53755        -0.172394     -0.096295      0.051192
      0.65378      8.09418     17.87254         0.027038      0.339208      0.179694
      1.54518      9.26382     18.44333        -0.026657      0.337700      0.088859
      2.92004      9.25127     18.95502        -0.206269     -0.139044      0.063439
      3.53970     10.41813     19.47983        -0.317945      0.180310     -0.029552
      1.00960     10.57832     18.53845         0.034265     -0.254881      0.095469
      1.61281     11.71088     19.10725        -0.027500     -0.221004     -0.173256
      2.90755     11.66592     19.62395         0.129885     -0.491132     -0.132932
      4.01179      8.15782     18.93187        -0.529645      0.113387      0.046696
     19.45694      9.12254     17.84777         0.227446      0.003054      0.193310
      1.86264     18.25601     14.12184        -0.053239     -0.013348      0.014868
      1.16115     19.17119     13.34372        -0.139825      0.092584      0.067396
      1.21865     20.54294     13.60204        -0.046037      0.212916     -0.101321
      2.68770     18.70803     15.14502        -0.082595      0.130086      0.170002
      2.72502     20.07553     15.42477         0.030306      0.263941     -0.020240
      1.99168     21.04220     14.69086        -0.076429      0.114182     -0.106006
      1.55395     16.87669     13.66957         0.026083      0.047428     -0.057477
      0.39400     18.39731     12.30961         0.216765     -0.156242      0.308880
      2.12437      1.25983     15.01399        -0.041501     -0.137979     -0.212245
      1.59636      2.27164     14.17112        -0.016502     -0.229123     -0.190946
      1.87342      3.60973     14.42808        -0.112678      0.277118     -0.042673
      2.84812      1.70810     16.14834        -0.053573     -0.052290     -0.012078
      3.20554      3.05243     16.34468        -0.073530     -0.205273     -0.018017
      2.74758      4.00726     15.43622         0.035556      0.011609      0.014790
      3.00606      5.48256     15.28573        -0.572886     -0.695901     -0.287132
      1.34955      4.83744     13.76152        -0.906560      0.162382     -0.721306
      1.53662      7.31773     14.26836        -0.181318      0.056235     -0.020148
      0.22316      7.62087     13.89224        -0.147315     -0.148556      0.012957
     20.98513      8.91042     14.04829        -0.037912     -0.138668      0.050744
      2.30102      8.42547     14.67110        -0.119676     -0.016301      0.007474
      1.79354      9.73599     14.80204        -0.013719      0.199222      0.084810
      0.40604     10.05467     14.50225        -0.116926      0.001172      0.054974
     20.87791     11.38102     14.58689         0.145103     -0.013935     -0.041133
     19.49546     11.66111     14.22477        -0.097503     -0.217979     -0.054191
     18.94682     12.95896     14.32734         0.070164     -0.063745     -0.036885
      0.27045     12.55119     15.02638        -0.002026      0.116604      0.004362
     -0.26218     13.84002     15.09434         0.061519      0.123921      0.089230
     19.67255     14.09865     14.71646         0.189198     -0.035858      0.096053
     18.42810     10.65339     13.74317         0.046757      0.152112      0.102139
      2.89774     10.70227     15.23390         0.138449     -0.127218      0.024797
     16.27217      0.40441      5.23884        -0.020152      0.125144     -0.022641
     16.92164      0.80233      6.40593        -0.070370     -0.013728      0.025289
     16.88623      2.13894      6.84053         0.001558      0.216681      0.134820
     15.58370      1.33371      4.47921        -0.015197      0.090970     -0.117332
     15.59185      2.67244      4.87426         0.016184      0.049110      0.113982
     16.22353      3.13768      6.05433         0.060176     -0.024940      0.074784
     16.55088     20.23496      4.94150         0.082849      0.242876      0.084558
     17.64126     20.84824      6.93676        -0.124392      0.039632     -0.213211
     16.20304      4.63761      6.34439         0.071989     -0.072203      0.095753
     16.85226      5.27836      7.44080         0.001120     -0.181144      0.035493
     16.81943      6.67800      7.55807         0.009291     -0.003728      0.072899
     15.53373      5.50840      5.43923         0.030944     -0.131817     -0.019297
     15.57061      6.90134      5.52602         0.040101     -0.071266     -0.056451
     16.23459      7.49301      6.59268         0.019279      0.011967     -0.033218
     16.51586      8.93328      6.89052        -0.005233     -0.398142      0.257389
     17.39858      7.57647      8.61287        -0.335302      0.159638     -0.442909
     17.70281     10.10609      8.82071         0.046103      0.024680      0.049466
     18.73975     10.01525      9.74150         0.074984      0.046305      0.116003
     19.30729     11.14848     10.31204        -0.022213     -0.050262     -0.067791
     17.23217     11.41169      8.60231         0.074799      0.119608      0.066227
     17.82819     12.55908      9.18541        -0.135786      0.079053     -0.029616
     18.95754     12.48171     10.07718        -0.020613     -0.111488      0.059602
     19.76114     13.58830     10.76880         0.232161     -0.007468      0.147073
     21.07376     13.50129     11.38963        -0.070098     -0.102361     -0.044075
      0.44507     14.63607     11.94171        -0.183838      0.086692      0.021940
     19.22869     14.88670     10.88507         0.021817      0.175229      0.109051
     19.86352     16.01641     11.41441        -0.020891     -0.008546     -0.036156
     21.14372     15.91577     11.97071        -0.081510     -0.007234     -0.038905
      0.81287     12.33486     11.41963        -0.015330      0.099048      0.190843
     17.06961     13.82311      8.83483         0.075594     -0.136120     -0.023827
     20.29651      1.42868      6.18641         0.045961     -0.011402     -0.012825
     19.70476      2.46037      5.45182         0.015537      0.204504      0.132402
     19.66800      3.76105      5.93345        -0.050975      0.073211     -0.036270
     20.83359      1.68822      7.44242        -0.027939      0.111027      0.160733
     20.71205      2.98319      7.97007        -0.057601      0.051121      0.020240
     20.14711      4.06085      7.23540         0.017684      0.059352     -0.039182
     20.23785      0.17600      5.37813        -0.114754      0.216644     -0.114806
     19.19561      1.90901      4.15346         0.264715     -0.279574      0.458574
     20.18102      5.48729      7.72006        -0.099742     -0.189522     -0.143131
     19.76362      6.52768      6.85986        -0.015465     -0.056460      0.013761
     20.08133      7.84804      7.14914         0.022844      0.073259      0.159355
     -0.57055      5.87117      8.98392        -0.010829      0.083492      0.032503
     -0.23814      7.20126      9.27750        -0.039397      0.003244     -0.081651
     20.78358      8.17709      8.30023        -0.055313      0.078863      0.075317
     -0.14645      9.62864      8.23603        -0.097445     -0.165067     -0.035243
     19.80301      9.10012      6.38330        -0.097127      0.015260     -0.183230
     20.35036     11.56957      6.72106        -0.047874     -0.074889     -0.096379
     19.43830     12.00610      5.75113        -0.146288     -0.041838     -0.069038
     19.20724     13.35960      5.54799        -0.075421      0.128542      0.009902
     21.10894     12.59469      7.32423        -0.094972      0.075918     -0.121526
     20.91296     13.96915      7.06229         0.039964      0.127989      0.037417
     19.87160     14.43407      6.17468        -0.039193     -0.140807     -0.124641
     19.37620     15.84825      5.91637         0.069284      0.074220      0.018547
     18.60154     16.35021      4.80331         0.045335     -0.095147     -0.011314
     18.06893     17.65568      4.80142         0.080761     -0.164184     -0.043902
     19.57021     16.82942      6.91148        -0.085692      0.090243      0.074692
     18.99716     18.09757      6.93352        -0.006778      0.040344      0.225270
     18.17294     18.54102      5.89473         0.121290     -0.229706     -0.049676
     18.16271     15.52578      3.58965         0.151242      0.158240     -0.001111
      0.68027     14.87504      7.74189        -0.022013     -0.136456     -0.092202
     12.74780      5.21433      4.02322        -0.088168      0.022137     -0.103485
     13.29734      3.79218     20.51657         0.019595     -0.157416      0.083618
     13.00385      6.14003     21.04576         0.133860     -0.168555      0.073193
     12.93614      7.35095      4.40632        -0.070503      0.004920     -0.069878
     13.21169      7.94109      0.11953         0.026975      0.098507      0.008031
     13.58543     10.30648      0.42658         0.039358      0.187562      0.096770
     13.36773     13.35365      8.75572        -0.016990     -0.076644      0.096445
     13.24409     11.51844      7.31673         0.052565     -0.128323     -0.084461
     14.34429     14.04567      4.02959         0.029365      0.036988     -0.114526
     12.87589     17.14050     11.48880        -0.150565      0.057937     -0.001611
     15.23285     17.22524      7.24276         0.087557     -0.118579      0.025399
     15.17326     19.18757      8.49744        -0.013918      0.025226      0.147433
      9.64350      6.83793      3.10661         0.023307      0.023203      0.079204
     10.07920      3.55605      6.85641         0.064733     -0.093434     -0.035839
     10.22159      5.93836      7.33455         0.066482     -0.093959     -0.189571
      9.98357      8.95157      3.64740         0.126386     -0.068084      0.016123
      9.94545      7.70451      7.80754        -0.001319      0.144010     -0.078239
     10.03980     10.01512      8.53161         0.079273      0.141775     -0.018993
     12.03698     15.89054      2.33898        -0.016448      0.066140      0.133959
     11.42160     13.73770      2.86865        -0.078056     -0.058840      0.054517
     10.20764     15.04395      6.76460        -0.053832     -0.055738      0.130095
     13.41224     20.27988      1.23001         0.037431      0.047619     -0.204426
     11.59886     19.26481      5.59239        -0.009555     -0.041610     -0.130990
     12.01002      0.20152      5.09913         0.060510      0.061442     -0.102162
     10.42525      9.10618     17.46714        -0.017134      0.065010     -0.118421
     10.55984      7.73216     12.65849         0.022089     -0.097745      0.187835
     10.38996     10.07585     13.22259         0.116828     -0.086890      0.037291
     10.58901     11.37270     17.84615        -0.037407     -0.020688     -0.024566
     10.56626     11.84847     13.53869         0.005327      0.102145     -0.057844
     10.80061     14.22747     13.74826         0.005372      0.215285      0.084708
      9.35552     17.71151      0.30940        -0.106853      0.126159     -0.068044
      9.65273     15.82673     20.32755         0.153635     -0.000703     -0.102487
     11.81376     18.09635     17.41931         0.101350      0.069461     -0.128705
      8.71471      0.10923      3.16833         0.026560     -0.145062      0.007334
     11.02584      0.58076     20.17347         0.058850      0.055824     -0.106771
     10.66767      2.49102      0.21666        -0.031639      0.127994     -0.025488
      6.85344     10.62735     15.78766         0.144497      0.051119      0.068318
      7.57688      7.35973     19.49985         0.078616     -0.096571     -0.063293
      7.65012      9.73402     19.99013         0.016397     -0.084418     -0.292120
      7.10194     12.82077     16.37950         0.053306     -0.004838      0.034900
      7.39899     11.45302     20.49945        -0.007599      0.205229     -0.112791
      7.43137     13.72615      0.02520        -0.008139      0.161858     -0.045763
      9.30831     19.87961     15.69300         0.053634      0.027005      0.226994
      8.68664     17.68293     16.08693         0.047334     -0.043745     -0.043133
      6.41075     18.92042     19.49006         0.110550     -0.006160      0.005482
     10.54039      2.96758     14.57305        -0.108498     -0.204375      0.104580
      8.17630      2.00668     18.71874         0.192258     -0.084368     -0.179851
      8.99700      4.16420     18.36281         0.005169      0.115072      0.154520
      6.79248     12.92948      8.87656         0.132102      0.004132     -0.082754
      7.21512     11.47645      4.11149        -0.101405     -0.175366      0.103290
      7.32557     13.82168      4.65434        -0.076763     -0.192848      0.137612
      7.02145     15.18612      9.25236         0.118053     -0.029736     -0.109515
      7.38950     15.63563      4.93103        -0.036850      0.039597      0.180675
      7.57233     18.02988      5.18403        -0.119913      0.050857      0.051916
      6.76633      0.32422     13.07862        -0.173790     -0.030817     -0.027642
      6.83854     19.66305     11.79862        -0.043764     -0.194454     -0.000102
      8.71271      0.57503      8.63801         0.002812      0.069993      0.030724
      6.20240      3.92858     15.83829         0.015310     -0.053845      0.022373
      8.41960      4.32599     11.51869         0.011740      0.075999     -0.042196
      8.21160      6.23543     12.86481        -0.039689      0.214978     -0.014735
      3.88265     14.39435      8.75150         0.132270      0.023814     -0.012981
      4.86102     11.39798     12.61609        -0.046694     -0.108587     -0.144934
      4.82356     13.80428     12.94402         0.124695     -0.099878     -0.158868
      3.73003     16.47788      9.12136         0.100735     -0.050155     -0.089440
      5.18748     15.67353     13.14820        -0.033015      0.082889     -0.099293
      5.08524     18.05732     13.66901         0.019451      0.051806     -0.007657
      5.70082      2.37689      7.55985         0.115007     -0.048062      0.049236
      4.84221      0.32171      7.91420         0.087778     -0.128222      0.131996
      3.69933      1.53106     11.82977         0.084281     -0.035250      0.187833
      7.20656      6.45918      6.18233        -0.054470      0.113686     -0.120460
      5.78953      5.83322     10.79545         0.057772     -0.132711     -0.113647
      6.13103      7.98057     10.04381         0.046015      0.170083      0.134781
      2.01397     16.27130      3.34721         0.071788      0.122507      0.071349
     -0.06921     14.66733     20.35543        -0.031878      0.008815      0.170408
      0.15386     17.02992     20.74305        -0.062621     -0.009629      0.109958
      1.68743     18.72253      3.72013         0.087825     -0.096963     -0.053920
      0.15453     18.75103     20.89968        -0.033323      0.038494      0.076307
     -0.16790     -0.12521     21.00405         0.060797      0.020317      0.122333
      2.62570      4.13238      6.86504         0.150195     -0.101980      0.056481
      2.35415      2.13854      5.80298         0.063942     -0.181455     -0.065936
      0.21438      4.12666      2.67671        -0.014227      0.073095     -0.081748
      3.18047      7.74486      9.52573         0.035745     -0.090646     -0.141414
      1.69406      8.19733      4.89864         0.055633      0.023735      0.064240
      2.45156     10.12017      6.04909         0.054649      0.098507      0.038669
      3.66641     17.02763     20.48776        -0.064822      0.018066      0.183283
      5.75315     13.89573      2.52114        -0.176711      0.071015     -0.217536
      5.74616     16.24290      2.97576        -0.086338      0.007966     -0.101637
      3.64250     19.43621      0.01285         0.023352     -0.049555      0.035422
      5.74175     17.91630      3.49832        -0.055211      0.042875      0.017545
      6.04278     20.12635      4.33814        -0.076332      0.181066     -0.054018
      2.28878      5.72036      0.05253        -0.066839     -0.090580     -0.053867
      2.58567      3.42419      0.26515         0.002910     -0.247024     -0.323688
      5.29749      4.07137      3.51147        -0.003770     -0.061660      0.090598
      0.63196     10.20123      0.63852        -0.202005     -0.103693     -0.082183
      4.77913      8.68237      2.65219        -0.018298      0.018902     -0.018442
      4.03226     10.86019      3.16538         0.054318      0.199658     -0.179437
     20.03829     19.48839     15.51285        -0.077182     -0.055894     -0.065855
     16.57510     17.92578     12.25966        -0.020354     -0.173943      0.006216
     17.14533     20.28095     12.37058        -0.042032     -0.154433      0.201901
     20.30806      0.32907     15.70124        -0.119618      0.061833     -0.008895
     17.07796      0.86093     12.84471         0.029636      0.111239      0.083094
     17.10545      3.27591     13.22813         0.011866      0.133489     -0.019189
      2.24281      6.68523     18.03301         0.045121      0.036827     -0.283982
      1.24427      4.78464     17.16714        -0.048048     -0.257952      0.033095
     18.83899      6.92546     16.73592        -0.083126      0.088062     -0.013136
      4.56835     10.35533     19.81122         0.065303     -0.138265      0.076008
      0.01767     10.76791     18.15725        -0.080877     -0.054218     -0.019190
      1.02382     12.61463     19.12479        -0.111211      0.327567      0.002091
      0.67251     21.21024     12.93177        -0.046958      0.063242      0.097473
      3.30527     18.03461     15.73205        -0.017796     -0.240184      0.075352
      3.39446     20.41207     16.21854        -0.039873     -0.054904     -0.025242
      1.02731      2.03239     13.27115        -0.119916     -0.049856      0.074261
      3.18151      0.97933     16.89635        -0.001035      0.202790     -0.131071
      3.80972      3.30599     17.21428         0.095857      0.144242     -0.012766
     19.94659      8.97308     13.79676        -0.058439      0.011421      0.065932
     20.78646      6.87225     13.50666         0.207635     -0.014769      0.147056
      3.34114      8.26962     14.90848         0.172702     -0.110457      0.093936
     17.90871     13.07816     14.06072        -0.194970      0.091369     -0.106895
      1.30437     12.51324     15.32421         0.073532     -0.083163     -0.014125
      0.41377     14.62884     15.41789        -0.127225      0.035076      0.010407
     17.41948      2.41198      7.75835        -0.084847     -0.030842     -0.086983
     15.06848      1.03856      3.56708         0.175295     -0.056438      0.003249
     15.09263      3.38228      4.21236         0.117124     -0.146990      0.109723
     17.45107      4.71600      8.16749        -0.285172     -0.001199     -0.034424
     14.97082      5.09458      4.59950         0.162972      0.068587      0.113043
     15.08746      7.49402      4.75266         0.093528      0.085347      0.030245
     20.10674     10.92502     10.98388         0.001477      0.070046      0.087133
     19.16702      9.06209     10.01808        -0.141786     -0.163058      0.126017
     16.37704     11.55578      7.95499        -0.022214      0.038718     -0.137716
      1.41437     14.52457     12.40184         0.133267     -0.091485     -0.006597
     18.22281     15.07176     10.55150        -0.188386     -0.019686      0.041991
     19.31546     16.95492     11.37925         0.106622      0.081506      0.036017
     19.30075      4.53921      5.26556        -0.149146     -0.019748      0.056749
      0.10887      0.91245      7.99662        -0.164873     -0.008455      0.032086
     -0.13567      3.16500      8.96524        -0.066358     -0.012855     -0.087373
     19.23094      6.31410      5.94361        -0.064036     -0.036644     -0.102503
     -0.37911      5.12013      9.75374        -0.026851      0.088752     -0.080521
      0.20871      7.42987     10.24946        -0.020147      0.122090     -0.122340
     18.39133     13.56856      4.87510        -0.013280     -0.027423      0.006974
     18.86307     11.31558      5.14477        -0.069830     -0.174165      0.150390
      0.64173     12.30715      7.99453         0.137197      0.008797      0.190996
     17.47696     17.94421      3.94225        -0.050456      0.043662     -0.033158
     20.14926     16.59238      7.79162        -0.063835     -0.063221     -0.017901
     19.18881     18.72609      7.79620        -0.003435      0.079970      0.069150
     13.89004     19.26779     10.69935         0.041365     -0.127357      0.057996
     19.37651     21.16497      3.43343        -0.085670     -0.238530     -0.215368
     12.90146      1.22630      2.66663         0.002261     -0.028118     -0.039791
     13.64569     11.48881      4.57810         0.084279      0.187674     -0.203692
      9.59027      2.59937      2.76097        -0.081598     -0.205995      0.020712
     10.43762     12.79703      5.26890        -0.067913      0.017659      0.053855
     10.23723      5.12337     16.02926         0.057601      0.003001     -0.004608
     10.83877     15.59932     17.83635         0.026588      0.147485     -0.029738
      7.07219      6.39404     15.40783        -0.031671      0.068869     -0.122503
      7.24599     16.66896     18.17046        -0.012886     -0.022935     -0.019036
      6.77244      8.88537      7.53200         0.005368      0.003028      0.044624
      7.52201     19.41498      9.19073         0.142784     -0.059974     -0.126283
      3.45639     10.20482      8.72548         0.041918     -0.054417      0.063993
      4.08409     20.53686     10.40099        -0.003137     -0.174631     -0.083342
      1.76742     12.17730      1.89540        -0.013694     -0.347211      0.050621
      1.20197      1.66348      3.35508        -0.006262      0.253162     -0.016068
      3.54637     12.77345     20.30346         0.100738     -0.117300     -0.030782
      4.31132      1.99160      1.93572         0.061574      0.066787     -0.111706
     19.13795     15.43838     14.64374        -0.267570     -0.013276     -0.057461
     19.97898      4.53954     16.11566        -0.111675      0.062123      0.017633
      0.57663     17.00525     12.61222         0.151565     -0.206086      0.167252
      2.00778      5.96568     14.34914         0.124404     -0.076231      0.097344
     17.49017     19.80090      5.92962         0.048631     -0.040072      0.098817
     17.21235      8.93735      8.14345        -0.155407      0.107109      0.154089
     19.55349      0.54386      4.19683         0.052135      0.374731      0.311371
     20.46926     10.17515      7.06312         0.118329      0.022319      0.108074
     12.41807      2.36966      4.69041         0.128125     -0.065090     -0.030645
     13.70246      0.96726      0.44043        -0.041295     -0.031648      0.010096
     13.21067      9.71608      6.08027         0.009872     -0.208427      0.404710
     13.99303     12.57530      2.47976         0.006051      0.098659      0.012495
      9.50025      4.43550      1.27262         0.037557     -0.066184      0.041638
      9.43181      1.45450      4.83985         0.054635     -0.449503      0.064760
     10.22386     11.80942      3.12708         0.011977      0.014621      0.059247
     10.18199     12.96373      7.63169         0.056293     -0.042584     -0.248410
     10.17418      6.21129     18.12831         0.067852     -0.066250      0.151793
     10.85937      4.89128     13.71776        -0.228424      0.244537      0.667451
     10.72108     13.87560     19.44734        -0.017933     -0.122050      0.313711
     11.07083     16.61767     15.70742        -0.019446      0.153473     -0.009729
      6.92006      8.22110     13.90820         0.019827     -0.049763      0.130332
      6.85140      5.27121     17.49399         0.100947     -0.149256     -0.037215
      7.15442     15.78841     15.97528        -0.023853     -0.021386      0.063850
      7.10109     16.70076     20.54244        -0.000051     -0.189701     -0.553339
      6.90736     10.03717      9.60320        -0.004963     -0.003708      0.150022
      7.06627      8.61156      5.20236         0.000142     -0.108904     -0.114423
      7.57551     17.70315     10.82474        -0.006585     -0.180011      0.348208
      7.50368     20.42457      7.05626        -0.039476      0.130858     -0.122280
      3.24326     11.96816      7.18063        -0.022974      0.070659     -0.289008
      3.84507      9.15176     10.85133         0.017693      0.044626     -0.168213
      3.79139     19.43682      8.31222         0.136974     -0.006724      1.012676
      4.32470     20.77686     12.73221        -0.072144     -0.154404     -0.161552
      2.87858     13.23416      3.70648         0.305212     -0.116135      0.345473
      0.00923     11.99829      0.26758         0.125233      0.051663      0.040676
      2.34060      0.18100      4.82333         0.079246     -0.038846      0.210045
      0.05499      2.38718      1.41122         0.028286      0.094712     -0.155701
      2.93423     14.52529     18.87225        -0.190944      0.219226     -0.153574
      4.92567     11.65715      0.62992        -0.097307      0.104239     -0.177177
      3.19357      1.19917     -0.01462        -0.035405      0.015731     -0.072238
      5.80982      1.86608      3.77582         0.090879      0.135940      0.167154
     -0.62734     16.63386     16.03608         0.238645     -0.034335      0.184827
     17.12899     15.09860     13.40613         0.194015      0.014061      0.020447
     -0.08416      2.80554     17.17907        -0.040966     -0.075509     -0.052934
     18.34872      5.59458     14.75412         0.080961      0.000321      0.027934
     21.02098     18.81421     11.36180        -0.385449      0.285780     -0.343975
      2.03953     15.84158     14.10447        -0.175376      0.032310     -0.178698
      0.46599      4.90493     12.89637         0.728631     -0.095597      0.764175
      3.90246      6.12773     15.78221         0.197886      0.467789      0.238681
     18.23381     20.73416      7.99380         0.037819     -0.042807      0.071739
     16.09421     19.56916      4.02523         0.066407      0.043267     -0.009605
     17.89283      7.25524      9.67277         0.082213     -0.138058      0.368066
     16.25463      9.90993      6.21116        -0.068818      0.081429      0.040601
     18.58871      2.45827      3.25307        -0.108204      0.131545     -0.177889
     20.66121     20.31483      5.62260         0.066584      0.025642     -0.013881
     19.11441      9.20625      5.37969         0.049101      0.020597      0.097710
      0.55231     10.24237      9.01803         0.004804      0.090713     -0.125621
     14.02742     17.38124      5.46347         0.146069     -0.068611      0.059927
     15.99459     16.42102      5.72228         0.029349     -0.006762     -0.056290
     14.83283     16.10618      3.91481        -0.104937     -0.082525     -0.111444
     11.82773     15.30152     11.48670        -0.026776     -0.057867     -0.023867
     11.43294     14.46031      9.51961        -0.046029      0.000171     -0.074381
     13.20754     13.83090     10.66303        -0.012642     -0.022394      0.154704
     11.96471     17.97042      7.14968        -0.007796      0.098264     -0.053080
      9.97482     18.56885      6.42798        -0.022298      0.018035     -0.066175
     10.20789     16.85403      7.73185         0.004283     -0.030886      0.023156
     13.41098     18.52919      0.15624         0.103045      0.137761     -0.083675
     14.21932     17.10447      1.57500         0.025042     -0.175385      0.145926
     12.16805     16.89884      0.81382         0.081334      0.166802      0.007776
     11.18810      0.24345     18.31331         0.108371     -0.091239      0.042755
     13.04037     -0.55758     19.20840        -0.164449      0.021252      0.172805
     12.37139     20.05739     17.24315         0.171159     -0.102318     -0.114169
      8.33857     19.31188      3.33729        -0.009818      0.036236      0.058245
      7.67926     18.69744      1.34679        -0.087686     -0.128108     -0.163394
      9.57003     17.96604      2.19497        -0.032756      0.160725      0.053818
      7.57253      0.87548     20.24040         0.181222      0.035327     -0.048477
      5.89050      1.04435     18.83500         0.107455      0.113643     -0.139062
      5.95463     20.71600     20.31978        -0.010833      0.059573     -0.123001
     10.35361      1.26324     13.39789         0.091183      0.145865      0.040615
     11.28197     -0.11630     14.81713        -0.175319      0.117649      0.140721
      9.28561     20.76287     14.00783         0.023678      0.374411      0.269201
      8.77428      3.92238      9.55232        -0.018134     -0.029653      0.054340
     10.33658      2.98879     10.78186        -0.002660      0.102508      0.249656
      9.96869      2.29041      8.75824        -0.082148     -0.041593      0.120885
      6.05403      1.91591     16.19174         0.091451      0.154177      0.345960
      5.09018      1.23632     14.40095         0.132767     -0.012511     -0.230258
      7.08968      0.52957     14.90488        -0.169864      0.015240      0.010344
      4.67658      5.09460     12.08043        -0.052568      0.075673     -0.094205
      2.83779      3.95971     11.71650         0.047993      0.076112     -0.146714
      4.38644      3.19184     13.03270         0.012469      0.120782     -0.105272
      7.27527      4.47615      5.39055         0.024845      0.189329     -0.016091
      7.51382      2.95118      6.90870        -0.023366     -0.051014      0.004730
      5.50684      3.46737      6.09529         0.184808      0.068376      0.051767
     -0.59606      7.25148      4.53834         0.003401      0.085930      0.262620
      0.86102      7.31027      2.96987        -0.074316     -0.087771      0.254652
     -0.89337      5.96286      2.84073         0.022070      0.010913      0.110609
      3.16560      5.76153      9.90244        -0.324538      0.024628     -0.216332
      1.73198      4.55908      8.80797        -0.046599     -0.025376     -0.049843
      3.77376      4.75038      8.07641        -0.126102      0.126434      0.025270
      6.16315      6.91598      3.57253         0.035864     -0.004762     -0.126205
      4.22101      7.57597      4.40276         0.081299     -0.079876     -0.076171
      5.03586      5.68914      4.99666        -0.134328     -0.050763     -0.004707
     -0.13752      8.54797     20.89160         0.264774      0.104474      0.064211
      1.49393      7.18132     -0.90632        -0.091601     -0.078588     -0.143997
      0.11214      6.71740      0.69495         0.297553     -0.269283      0.203810
     19.44175      9.44172     19.17587         0.088338      0.182797     -0.055050
     19.64684     10.29764     17.15488        -0.118519     -0.067363     -0.022851
     18.18563      8.73146     17.56583        -0.162041      0.024091     -0.147849
      4.84751      8.25554     20.00729         0.237530      0.253758      0.181206
      3.69630      6.83385     18.94082         0.074749     -0.124201      0.059078
      4.74620      8.36651     17.80515         0.040319     -0.097720     -0.191149
      3.24971     11.55297     14.21920        -0.084364      0.109915      0.159718
      2.62057     11.48692     16.32216        -0.006284     -0.128572     -0.106506
      4.06063     10.05696     15.58061        -0.077666      0.122865     -0.101238
     17.28045     11.25782     13.32592        -0.097555      0.097356      0.078337
     18.79571      9.87707     12.66725        -0.125240      0.156708      0.062048
     18.05459      9.78774     14.73283         0.056442     -0.066699      0.095725
     16.22320     14.17982      9.86120         0.068100      0.110162      0.013894
     17.83367     14.92017      8.54911         0.093503     -0.027707     -0.069601
     16.29420     13.65612      7.73572         0.037303     -0.011034     -0.178731
      1.81888     12.55332     12.31918        -0.011592      0.099471     -0.086022
      0.38737     11.07534     11.77291         0.197121      0.292333     -0.115608
      1.40991     12.24697     10.20279        -0.064192     -0.060001      0.067181
      1.28532     15.73097      6.86343        -0.161997      0.090350     -0.104906
      0.18809     15.65032      8.77040         0.008622     -0.055192     -0.016121
      1.68441     14.17236      8.33171        -0.006176     -0.031750     -0.208681
     17.66435     16.28249      2.57201         0.192169      0.117450      0.008401
     19.17898     14.78435      3.04865         0.099170      0.048915     -0.022716
     17.14745     14.63920      3.88760         0.078267      0.024616     -0.069230
 -----------------------------------------------------------------------------------
    total drift:                                0.033204     -0.001636     -0.008868


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4574.5199916641 eV

  energy  without entropy=    -4574.6716825643  energy(sigma->0) =    -4574.57055530
 
 d Force = 0.5574312E+00[ 0.327E+00, 0.788E+00]  d Energy = 0.5566415E+00 0.790E-03
 d Force = 0.7178636E+03[ 0.716E+03, 0.719E+03]  d Ewald  = 0.7178615E+03 0.209E-02


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.556641  1 .order   -0.557431   -0.787810   -0.327052
  (g-gl).g = 0.311E+01      g.g   = 0.313E+01  gl.gl    = 0.289E+01
 g(Force)  = 0.313E+01   g(Stress)= 0.000E+00 ortho     =-0.119E-01
 gamma     =   1.07438
 trial     =   0.25309
 opt step  =   0.43274  (harmonic =   0.43274) maximal distance =0.06410278
 next E    = -4574.636855   (d E  =  -0.67350)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   71(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3168
 total energy-change (2. order) : 0.3220531E+00  (-0.2191440E+02)
 number of electron    2497.9999978 magnetization 
 augmentation part      162.6998237 magnetization 

  free energy =  -0.457419792875E+04  energy without entropy=  -0.457435039330E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   71(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3520
 total energy-change (2. order) :-0.4522932E+00  (-0.5458417E+00)
 number of electron    2497.9999978 magnetization 
 augmentation part      162.7318612 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8748
  0.8748

  free energy =  -0.457465022195E+04  energy without entropy=  -0.457480136726E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   71(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3704
 total energy-change (2. order) : 0.1527182E-01  (-0.1058517E-01)
 number of electron    2497.9999978 magnetization 
 augmentation part      162.7082477 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4343
  1.0846  1.7840

  free energy =  -0.457463495014E+04  energy without entropy=  -0.457478724492E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   71(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3600
 total energy-change (2. order) :-0.3419928E-02  (-0.9355867E-02)
 number of electron    2497.9999978 magnetization 
 augmentation part      162.6948083 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2837
  2.2040  0.8714  0.7758

  free energy =  -0.457463837006E+04  energy without entropy=  -0.457478954079E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   71(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3528
 total energy-change (2. order) :-0.4985156E-03  (-0.1973394E-02)
 number of electron    2497.9999978 magnetization 
 augmentation part      162.6973707 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2925
  2.3594  0.9625  0.9625  0.8856

  free energy =  -0.457463886858E+04  energy without entropy=  -0.457479103275E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   71(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3568
 total energy-change (2. order) : 0.9063410E-03  (-0.9204456E-03)
 number of electron    2497.9999978 magnetization 
 augmentation part      162.6981508 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2225
  2.4020  1.0732  1.0732  0.7821  0.7821

  free energy =  -0.457463796224E+04  energy without entropy=  -0.457478951284E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   71(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) :-0.2439957E-04  (-0.2576348E-03)
 number of electron    2497.9999978 magnetization 
 augmentation part      162.6987168 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2187
  2.3888  0.9511  0.9511  1.2051  1.2051  0.6110

  free energy =  -0.457463798664E+04  energy without entropy=  -0.457479009872E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   71(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3512
 total energy-change (2. order) : 0.4846836E-04  (-0.3246505E-04)
 number of electron    2497.9999978 magnetization 
 augmentation part      162.7005575 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2291
  2.4655  1.0642  1.0642  1.3212  1.2632  0.8475  0.5783

  free energy =  -0.457463793817E+04  energy without entropy=  -0.457478990111E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   71(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3608
 total energy-change (2. order) :-0.7996568E-05  (-0.2496856E-04)
 number of electron    2497.9999978 magnetization 
 augmentation part      162.7002233 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2228
  2.5180  1.0468  1.0468  1.4195  1.3107  0.9247  0.9247  0.5916

  free energy =  -0.457463794617E+04  energy without entropy=  -0.457478988863E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   71(  10)  ---------------------------------------



 eigenvalue-minimisations  :  2608
 total energy-change (2. order) :-0.1148804E-04  (-0.3293681E-05)
 number of electron    2497.9999978 magnetization 
 augmentation part      162.7000674 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2297
  2.5788  1.8649  1.0880  1.0880  1.0772  1.0209  1.0209  0.7364  0.5924

  free energy =  -0.457463795765E+04  energy without entropy=  -0.457478992665E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   71(  11)  ---------------------------------------



 eigenvalue-minimisations  :  2280
 total energy-change (2. order) :-0.1196578E-04  (-0.1257797E-05)
 number of electron    2497.9999978 magnetization 
 augmentation part      162.6999755 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2316
  2.6165  1.9351  1.0548  1.0548  1.2903  0.9980  0.9980  0.5942  0.9295  0.8444

  free energy =  -0.457463796962E+04  energy without entropy=  -0.457478992715E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   71(  12)  ---------------------------------------



 eigenvalue-minimisations  :  2168
 total energy-change (2. order) :-0.1109930E-04  (-0.2116471E-06)
 number of electron    2497.9999978 magnetization 
 augmentation part      162.6999827 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2807
  2.5961  2.3211  1.5873  1.0689  1.0689  1.2019  0.9934  0.9934  0.9318  0.5952
  0.7294

  free energy =  -0.457463798072E+04  energy without entropy=  -0.457478993571E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   71(  13)  ---------------------------------------



 eigenvalue-minimisations  :  2240
 total energy-change (2. order) :-0.1309661E-04  (-0.2715725E-06)
 number of electron    2497.9999978 magnetization 
 augmentation part      162.7000356 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3017
  2.8858  2.5213  1.4777  1.4777  1.0506  1.0506  0.9910  0.9910  0.9345  0.9345
  0.5945  0.7115

  free energy =  -0.457463799382E+04  energy without entropy=  -0.457478994556E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   71(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2200
 total energy-change (2. order) :-0.8145318E-05  (-0.1258466E-06)
 number of electron    2497.9999978 magnetization 
 augmentation part      162.7000356 magnetization 

  free energy =  -0.457463800196E+04  energy without entropy=  -0.457478994874E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0476       2 -56.1034       3 -56.0040       4 -55.8316       5 -55.8183
       6 -56.2753       7 -58.1650       8 -58.2343       9 -56.2377      10 -55.9082
      11 -55.9922      12 -55.7699      13 -55.7837      14 -55.9759      15 -58.1215
      16 -58.0695      17 -56.3465      18 -54.9690      19 -54.8499      20 -55.0879
      21 -55.6434      22 -55.5776      23 -55.5969      24 -55.5959      25 -55.0003
      26 -54.7177      27 -54.9086      28 -54.9481      29 -60.3855      30 -60.3604
      31 -55.6386      32 -55.7731      33 -55.6896      34 -55.3549      35 -55.4893
      36 -55.9765      37 -57.8232      38 -57.9600      39 -56.0692      40 -55.7692
      41 -55.8955      42 -55.6684      43 -55.7194      44 -55.8973      45 -58.1081
      46 -58.1103      47 -56.4408      48 -55.1060      49 -54.9144      50 -55.2625
      51 -55.8700      52 -55.8202      53 -55.7426      54 -55.7391      55 -55.0639
      56 -54.8481      57 -54.9850      58 -56.3646      59 -60.3611      60 -60.5969
      61 -55.9663      62 -56.0002      63 -55.9033      64 -55.7803      65 -55.7489
      66 -56.2229      67 -58.1243      68 -58.1631      69 -56.1823      70 -55.8567
      71 -55.9638      72 -55.6630      73 -55.6694      74 -55.9220      75 -58.0780
      76 -58.0933      77 -56.3532      78 -55.0663      79 -54.8896      80 -55.1939
      81 -55.8237      82 -55.8070      83 -55.8508      84 -55.8977      85 -55.2608
      86 -54.9870      87 -55.1753      88 -56.3974      89 -60.6581      90 -60.4112
      91 -55.7426      92 -55.8604      93 -55.7722      94 -55.5227      95 -55.6021
      96 -56.1087      97 -57.9398      98 -58.0267      99 -56.2048     100 -55.8987
     101 -56.0432     102 -55.7173     103 -55.7760     104 -56.0007     105 -58.1491
     106 -58.1922     107 -56.4372     108 -55.1472     109 -54.9645     110 -55.3857
     111 -55.9318     112 -55.8677     113 -55.7936     114 -55.8399     115 -55.0939
     116 -54.9318     117 -55.0380     118 -56.3470     119 -60.4495     120 -60.6131
     121 -55.9671     122 -55.9841     123 -55.8579     124 -55.7802     125 -55.7732
     126 -56.1967     127 -58.0808     128 -58.1735     129 -56.1499     130 -55.7834
     131 -55.8823     132 -55.6892     133 -55.6018     134 -55.8090     135 -57.9080
     136 -58.0425     137 -56.3549     138 -55.0131     139 -54.8635     140 -55.2812
     141 -55.8773     142 -55.7958     143 -55.8759     144 -55.8728     145 -55.2069
     146 -55.0709     147 -55.2198     148 -56.4052     149 -60.4866     150 -60.5602
     151 -55.6591     152 -55.6926     153 -55.5310     154 -55.4141     155 -55.4536
     156 -55.9133     157 -57.9621     158 -57.8857     159 -56.0202     160 -55.7538
     161 -55.9205     162 -55.5499     163 -55.5893     164 -55.8071     165 -57.9589
     166 -58.0646     167 -56.3930     168 -55.0191     169 -54.7852     170 -55.2268
     171 -55.8540     172 -55.8650     173 -55.8340     174 -55.7774     175 -55.2990
     176 -54.9037     177 -55.0446     178 -56.4746     179 -60.4578     180 -60.5751
     181 -55.8784     182 -56.0566     183 -55.9249     184 -55.6589     185 -55.6688
     186 -56.2366     187 -58.0307     188 -58.2610     189 -56.2554     190 -55.8467
     191 -55.9988     192 -55.7375     193 -55.7189     194 -55.9371     195 -58.0741
     196 -58.1806     197 -56.5062     198 -55.0821     199 -54.9238     200 -55.2941
     201 -55.8735     202 -55.8791     203 -55.9047     204 -55.9004     205 -55.1380
     206 -55.2086     207 -55.1986     208 -56.4630     209 -60.7181     210 -60.4591
     211 -55.9863     212 -56.0462     213 -55.9512     214 -55.8014     215 -55.7458
     216 -56.2821     217 -58.1530     218 -58.1628     219 -56.1450     220 -55.8171
     221 -55.9276     222 -55.5648     223 -55.5017     224 -55.8334     225 -57.9917
     226 -58.1201     227 -56.5176     228 -55.0632     229 -54.9566     230 -55.2707
     231 -55.7826     232 -55.8167     233 -55.7889     234 -55.7369     235 -54.9906
     236 -55.0952     237 -55.2169     238 -56.4628     239 -60.3346     240 -60.4102
     241 -55.9702     242 -55.9988     243 -55.8835     244 -55.7480     245 -55.7458
     246 -56.1787     247 -58.1034     248 -58.1275     249 -56.1597     250 -55.8462
     251 -55.9575     252 -55.7210     253 -55.7156     254 -55.9014     255 -58.0112
     256 -58.0254     257 -56.3217     258 -55.0253     259 -54.8094     260 -55.2211
     261 -55.7910     262 -55.7881     263 -55.8831     264 -55.9215     265 -55.3030
     266 -54.9630     267 -55.1556     268 -56.3751     269 -60.6255     270 -60.3642
     271 -55.8590     272 -55.9256     273 -55.7822     274 -55.6580     275 -55.6126
     276 -56.0554     277 -58.0973     278 -58.1144     279 -55.9356     280 -55.6395
     281 -55.7633     282 -55.5171     283 -55.5187     284 -55.7946     285 -58.1141
     286 -57.9199     287 -56.3984     288 -55.0283     289 -54.8576     290 -55.2230
     291 -55.8508     292 -55.7861     293 -55.8174     294 -55.8410     295 -55.2076
     296 -54.9295     297 -55.0323     298 -56.4190     299 -60.4915     300 -60.5643
     301 -55.8787     302 -56.0112     303 -55.9161     304 -55.6267     305 -55.6667
     306 -56.1702     307 -58.0686     308 -58.2490     309 -56.1866     310 -55.8582
     311 -55.9500     312 -55.6861     313 -55.6484     314 -55.8645     315 -57.9711
     316 -58.0884     317 -56.3502     318 -54.9652     319 -54.7635     320 -55.2351
     321 -55.7612     322 -55.6988     323 -55.8397     324 -55.8971     325 -55.2178
     326 -55.0464     327 -55.2170     328 -56.4172     329 -60.5680     330 -60.4214
     331 -55.7594     332 -55.7907     333 -55.6620     334 -55.5977     335 -55.5768
     336 -56.0166     337 -57.9584     338 -57.9497     339 -55.9361     340 -55.6186
     341 -55.7747     342 -55.5217     343 -55.5481     344 -55.7851     345 -57.9571
     346 -57.9491     347 -56.4834     348 -55.0035     349 -54.9332     350 -55.2850
     351 -55.8388     352 -55.7803     353 -55.7440     354 -55.7544     355 -55.1937
     356 -54.9014     357 -54.9921     358 -56.4146     359 -60.4634     360 -60.5547
     361 -39.0413     362 -38.7898     363 -38.8956     364 -38.9960     365 -38.9087
     366 -38.7476     367 -38.1366     368 -38.1239     369 -38.1059     370 -38.1078
     371 -38.1395     372 -38.1714     373 -38.6874     374 -38.3032     375 -38.6331
     376 -38.7884     377 -38.7925     378 -38.7439     379 -38.1158     380 -38.1218
     381 -38.2828     382 -38.0913     383 -38.2401     384 -37.9798     385 -38.8341
     386 -38.7517     387 -38.8622     388 -38.8381     389 -38.8349     390 -38.5670
     391 -38.2244     392 -38.2175     393 -38.2238     394 -38.1970     395 -38.2212
     396 -38.3517     397 -38.7178     398 -38.4744     399 -38.7175     400 -38.8597
     401 -38.7729     402 -38.7780     403 -38.1571     404 -38.1958     405 -38.4296
     406 -38.0073     407 -38.0456     408 -38.0248     409 -38.7302     410 -38.7698
     411 -38.9119     412 -38.6927     413 -38.8654     414 -38.6212     415 -38.2168
     416 -38.2952     417 -38.1917     418 -38.1975     419 -38.2593     420 -38.3774
     421 -38.5676     422 -38.3416     423 -38.5247     424 -38.7474     425 -38.5741
     426 -38.6210     427 -38.2380     428 -38.0429     429 -38.3466     430 -38.2793
     431 -38.0437     432 -38.0777     433 -38.7996     434 -38.6373     435 -38.8888
     436 -38.7018     437 -38.9094     438 -38.6607     439 -38.4502     440 -38.1368
     441 -38.2041     442 -38.1457     443 -38.2053     444 -38.1748     445 -38.8115
     446 -38.7866     447 -38.8933     448 -38.7037     449 -38.7764     450 -38.3724
     451 -38.1202     452 -38.0314     453 -38.1615     454 -38.0126     455 -38.1470
     456 -38.2302     457 -38.8749     458 -38.6963     459 -38.8232     460 -38.8454
     461 -38.8547     462 -38.7240     463 -38.2019     464 -38.3510     465 -38.1968
     466 -38.5012     467 -38.1702     468 -38.3314     469 -38.8359     470 -38.7373
     471 -38.6910     472 -38.7359     473 -38.5282     474 -38.5069     475 -38.2493
     476 -38.0141     477 -38.2714     478 -38.2033     479 -38.1862     480 -37.9802
     481 -38.8375     482 -38.7197     483 -38.8606     484 -38.8134     485 -38.8759
     486 -38.7415     487 -38.1357     488 -38.2201     489 -38.2771     490 -38.3233
     491 -38.2757     492 -38.3707     493 -38.8092     494 -38.5083     495 -38.6270
     496 -38.7991     497 -38.5338     498 -38.4860     499 -38.1832     500 -37.9679
     501 -38.2803     502 -38.1639     503 -38.1139     504 -37.9931     505 -38.2103
     506 -41.1839     507 -71.6829     508 -71.5347     509 -71.3779     510 -71.5762
     511 -71.5422     512 -71.4946     513 -71.3956     514 -71.5683     515 -71.5609
     516 -71.4033     517 -71.3701     518 -71.5583     519 -71.5794     520 -71.5946
     521 -71.5541     522 -71.4386     523 -71.5483     524 -71.4454     525 -71.5274
     526 -71.4707     527 -71.6205     528 -71.4731     529 -71.1480     530 -71.5768
     531 -76.8949     532 -76.8512     533 -76.7479     534 -76.8536     535 -76.5823
     536 -76.5500     537 -76.7681     538 -76.8181     539 -76.8875     540 -76.8128
     541 -76.7776     542 -76.7807     543 -76.6854     544 -76.6920     545 -76.8631
     546 -76.8071     547 -76.8389     548 -76.7781     549 -76.7468     550 -76.5896
     551 -76.5767     552 -76.6836     553 -76.6065     554 -76.6342     555 -76.9381
     556 -76.7386     557 -76.8506     558 -76.7736     559 -76.8294     560 -76.8663
     561 -76.7646     562 -76.6832     563 -76.7851     564 -76.7916     565 -76.6576
     566 -76.7098     567 -76.8226     568 -76.8187     569 -76.4612     570 -76.9086
     571 -76.9428     572 -76.7742     573 -76.8113     574 -76.6475     575 -76.6272
     576 -76.6148     577 -76.5265     578 -76.5094     579 -82.2556     580 -82.3317
     581 -82.3353     582 -82.3234     583 -82.3112     584 -82.2893     585 -82.4840
     586 -82.5412     587 -82.4905     588 -82.2096     589 -82.1810     590 -82.3067
     591 -82.3161     592 -82.2068     593 -82.3501     594 -82.6072     595 -82.6236
     596 -82.5369     597 -82.5825     598 -82.4536     599 -82.5099     600 -82.3397
     601 -82.1204     602 -82.2688     603 -82.5184     604 -82.4226     605 -82.4467
     606 -82.3767     607 -82.2494     608 -82.4646     609 -82.7070     610 -82.3136
     611 -82.3707     612 -82.4092     613 -82.3733     614 -82.2383     615 -82.5719
     616 -82.3736     617 -82.3333     618 -82.6028     619 -82.8276     620 -82.6241
     621 -82.2278     622 -82.4066     623 -82.3566     624 -82.1435     625 -82.3770
     626 -82.1861     627 -82.1104     628 -82.2789     629 -82.3462     630 -82.4500
     631 -82.6879     632 -82.4743     633 -82.4715     634 -82.5135     635 -82.4386
     636 -82.3594     637 -82.4256     638 -82.3026     639 -82.2691     640 -82.4020
     641 -82.3957     642 -82.3464     643 -82.5058     644 -82.4603     645 -82.4506
     646 -82.4455     647 -82.5339     648 -82.3549     649 -82.3729     650 -82.3038
 
 
 
 E-fermi :  -1.4654     XC(G=0):  -6.5172     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.0955      2.00000
      2     -28.9808      2.00000
      3     -28.9287      2.00000
      4     -28.8889      2.00000
      5     -28.8662      2.00000
      6     -28.8622      2.00000
      7     -28.8473      2.00000
      8     -28.8268      2.00000
      9     -28.8081      2.00000
     10     -28.8068      2.00000
     11     -28.7779      2.00000
     12     -28.7513      2.00000
     13     -28.7422      2.00000
     14     -28.7283      2.00000
     15     -28.7196      2.00000
     16     -28.7143      2.00000
     17     -28.6595      2.00000
     18     -28.6471      2.00000
     19     -28.6447      2.00000
     20     -28.6186      2.00000
     21     -28.6062      2.00000
     22     -28.5894      2.00000
     23     -28.5609      2.00000
     24     -28.5579      2.00000
     25     -26.8244      2.00000
     26     -26.7077      2.00000
     27     -26.7003      2.00000
     28     -26.6954      2.00000
     29     -26.6382      2.00000
     30     -26.6261      2.00000
     31     -26.5829      2.00000
     32     -26.5806      2.00000
     33     -26.5497      2.00000
     34     -26.5440      2.00000
     35     -26.5426      2.00000
     36     -26.5406      2.00000
     37     -26.5365      2.00000
     38     -26.5140      2.00000
     39     -26.5125      2.00000
     40     -26.5048      2.00000
     41     -26.4841      2.00000
     42     -26.4827      2.00000
     43     -26.4794      2.00000
     44     -26.4612      2.00000
     45     -26.4575      2.00000
     46     -26.4472      2.00000
     47     -26.4312      2.00000
     48     -26.4311      2.00000
     49     -26.4176      2.00000
     50     -26.4171      2.00000
     51     -26.4066      2.00000
     52     -26.3959      2.00000
     53     -26.3948      2.00000
     54     -26.3806      2.00000
     55     -26.3758      2.00000
     56     -26.3724      2.00000
     57     -26.3707      2.00000
     58     -26.3655      2.00000
     59     -26.3624      2.00000
     60     -26.3476      2.00000
     61     -26.3421      2.00000
     62     -26.3183      2.00000
     63     -26.3134      2.00000
     64     -26.3092      2.00000
     65     -26.3026      2.00000
     66     -26.2954      2.00000
     67     -26.2910      2.00000
     68     -26.2795      2.00000
     69     -26.2391      2.00000
     70     -26.2151      2.00000
     71     -26.1500      2.00000
     72     -26.1380      2.00000
     73     -23.2710      2.00000
     74     -23.2582      2.00000
     75     -23.2462      2.00000
     76     -23.2406      2.00000
     77     -23.2220      2.00000
     78     -23.2079      2.00000
     79     -23.2041      2.00000
     80     -23.1993      2.00000
     81     -23.1937      2.00000
     82     -23.1866      2.00000
     83     -23.1679      2.00000
     84     -23.1525      2.00000
     85     -23.1481      2.00000
     86     -23.1466      2.00000
     87     -23.1397      2.00000
     88     -23.0741      2.00000
     89     -23.0490      2.00000
     90     -23.0323      2.00000
     91     -23.0176      2.00000
     92     -23.0148      2.00000
     93     -22.9907      2.00000
     94     -22.9711      2.00000
     95     -22.9413      2.00000
     96     -22.8585      2.00000
     97     -22.8363      2.00000
     98     -22.8234      2.00000
     99     -22.8136      2.00000
    100     -22.8129      2.00000
    101     -22.8124      2.00000
    102     -22.8027      2.00000
    103     -22.7984      2.00000
    104     -22.7976      2.00000
    105     -22.7753      2.00000
    106     -22.7546      2.00000
    107     -22.7510      2.00000
    108     -22.7467      2.00000
    109     -22.7240      2.00000
    110     -22.6853      2.00000
    111     -22.6830      2.00000
    112     -22.6357      2.00000
    113     -22.6287      2.00000
    114     -22.6257      2.00000
    115     -22.5975      2.00000
    116     -22.5751      2.00000
    117     -22.5073      2.00000
    118     -22.4477      2.00000
    119     -22.3881      2.00000
    120     -22.3441      2.00000
    121     -20.4928      2.00000
    122     -20.4051      2.00000
    123     -20.3771      2.00000
    124     -20.3722      2.00000
    125     -20.3612      2.00000
    126     -20.3534      2.00000
    127     -20.3415      2.00000
    128     -20.3378      2.00000
    129     -20.3159      2.00000
    130     -20.3145      2.00000
    131     -20.3095      2.00000
    132     -20.3035      2.00000
    133     -20.2668      2.00000
    134     -20.2580      2.00000
    135     -20.2487      2.00000
    136     -20.2480      2.00000
    137     -20.2467      2.00000
    138     -20.2362      2.00000
    139     -20.2105      2.00000
    140     -20.1914      2.00000
    141     -20.1673      2.00000
    142     -20.0841      2.00000
    143     -20.0592      2.00000
    144     -19.9578      2.00000
    145     -18.6579      2.00000
    146     -18.5300      2.00000
    147     -18.5203      2.00000
    148     -18.5145      2.00000
    149     -18.4945      2.00000
    150     -18.4662      2.00000
    151     -18.4573      2.00000
    152     -18.4485      2.00000
    153     -18.4358      2.00000
    154     -18.4241      2.00000
    155     -18.3936      2.00000
    156     -18.3768      2.00000
    157     -18.3318      2.00000
    158     -18.2470      2.00000
    159     -18.2378      2.00000
    160     -18.2351      2.00000
    161     -18.2302      2.00000
    162     -18.2066      2.00000
    163     -18.1867      2.00000
    164     -18.1740      2.00000
    165     -18.1622      2.00000
    166     -18.1507      2.00000
    167     -18.1012      2.00000
    168     -18.0668      2.00000
    169     -17.9346      2.00000
    170     -17.9252      2.00000
    171     -17.9136      2.00000
    172     -17.8895      2.00000
    173     -17.8551      2.00000
    174     -17.8455      2.00000
    175     -17.8257      2.00000
    176     -17.8117      2.00000
    177     -17.7922      2.00000
    178     -17.7746      2.00000
    179     -17.7523      2.00000
    180     -17.7279      2.00000
    181     -17.5925      2.00000
    182     -17.5628      2.00000
    183     -17.5481      2.00000
    184     -17.5262      2.00000
    185     -17.5103      2.00000
    186     -17.5090      2.00000
    187     -17.4942      2.00000
    188     -17.4886      2.00000
    189     -17.4726      2.00000
    190     -17.4539      2.00000
    191     -17.4503      2.00000
    192     -17.4354      2.00000
    193     -16.7419      2.00000
    194     -16.6926      2.00000
    195     -16.6880      2.00000
    196     -16.6758      2.00000
    197     -16.6473      2.00000
    198     -16.6169      2.00000
    199     -16.5778      2.00000
    200     -16.5644      2.00000
    201     -16.5376      2.00000
    202     -16.5064      2.00000
    203     -16.4901      2.00000
    204     -16.4795      2.00000
    205     -16.1560      2.00000
    206     -16.1487      2.00000
    207     -16.1428      2.00000
    208     -16.1133      2.00000
    209     -16.0655      2.00000
    210     -16.0474      2.00000
    211     -16.0035      2.00000
    212     -15.9662      2.00000
    213     -15.9504      2.00000
    214     -15.9055      2.00000
    215     -15.8870      2.00000
    216     -15.7912      2.00000
    217     -15.7396      2.00000
    218     -15.6492      2.00000
    219     -15.6252      2.00000
    220     -15.6016      2.00000
    221     -15.5929      2.00000
    222     -15.5780      2.00000
    223     -15.5761      2.00000
    224     -15.5649      2.00000
    225     -15.5547      2.00000
    226     -15.5405      2.00000
    227     -15.4960      2.00000
    228     -15.4644      2.00000
    229     -15.4450      2.00000
    230     -15.4361      2.00000
    231     -15.4330      2.00000
    232     -15.4238      2.00000
    233     -15.4200      2.00000
    234     -15.4164      2.00000
    235     -15.4046      2.00000
    236     -15.4008      2.00000
    237     -15.3899      2.00000
    238     -15.3892      2.00000
    239     -15.3772      2.00000
    240     -15.3675      2.00000
    241     -15.3571      2.00000
    242     -15.3452      2.00000
    243     -15.3329      2.00000
    244     -15.3254      2.00000
    245     -15.3126      2.00000
    246     -15.3118      2.00000
    247     -15.3083      2.00000
    248     -15.2854      2.00000
    249     -15.2795      2.00000
    250     -15.2605      2.00000
    251     -15.2550      2.00000
    252     -15.2476      2.00000
    253     -15.2448      2.00000
    254     -15.2271      2.00000
    255     -15.2197      2.00000
    256     -15.2141      2.00000
    257     -15.2079      2.00000
    258     -15.1983      2.00000
    259     -15.1922      2.00000
    260     -15.1858      2.00000
    261     -15.1833      2.00000
    262     -15.1811      2.00000
    263     -15.1730      2.00000
    264     -15.1470      2.00000
    265     -15.1218      2.00000
    266     -15.1189      2.00000
    267     -15.1023      2.00000
    268     -15.0925      2.00000
    269     -15.0675      2.00000
    270     -15.0619      2.00000
    271     -14.9937      2.00000
    272     -14.9846      2.00000
    273     -14.9515      2.00000
    274     -14.9325      2.00000
    275     -14.9095      2.00000
    276     -14.8765      2.00000
    277     -14.5966      2.00000
    278     -14.5691      2.00000
    279     -14.5538      2.00000
    280     -14.4919      2.00000
    281     -14.4626      2.00000
    282     -14.4170      2.00000
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   1417       4.4251      0.00000
   1418       4.4276      0.00000
   1419       4.4453      0.00000
   1420       4.4531      0.00000
   1421       4.4695      0.00000
   1422       4.4751      0.00000
   1423       4.4904      0.00000
   1424       4.5075      0.00000
   1425       4.5313      0.00000
   1426       4.5435      0.00000
   1427       4.5526      0.00000
   1428       4.5609      0.00000
   1429       4.5944      0.00000
   1430       4.6144      0.00000
   1431       4.6312      0.00000
   1432       4.6580      0.00000
   1433       4.6813      0.00000
   1434       4.6957      0.00000
   1435       4.7496      0.00000
   1436       4.7731      0.00000
   1437       4.7981      0.00000
   1438       4.8090      0.00000
   1439       4.8267      0.00000
   1440       4.8392      0.00000
   1441       4.8711      0.00000
   1442       4.8741      0.00000
   1443       4.9138      0.00000
   1444       4.9306      0.00000
   1445       4.9336      0.00000
   1446       4.9467      0.00000
   1447       4.9703      0.00000
   1448       4.9751      0.00000
   1449       5.0019      0.00000
   1450       5.0186      0.00000
   1451       5.0360      0.00000
   1452       5.0401      0.00000
   1453       5.0599      0.00000
   1454       5.0816      0.00000
   1455       5.1032      0.00000
   1456       5.1041      0.00000
   1457       5.1310      0.00000
   1458       5.1401      0.00000
   1459       5.1484      0.00000
   1460       5.1673      0.00000
   1461       5.1912      0.00000
   1462       5.1995      0.00000
   1463       5.2224      0.00000
   1464       5.2356      0.00000
   1465       5.2420      0.00000
   1466       5.2532      0.00000
   1467       5.2558      0.00000
   1468       5.2797      0.00000
   1469       5.2865      0.00000
   1470       5.3024      0.00000
   1471       5.3110      0.00000
   1472       5.3263      0.00000
   1473       5.3355      0.00000
   1474       5.3472      0.00000
   1475       5.3517      0.00000
   1476       5.3564      0.00000
   1477       5.3676      0.00000
   1478       5.3716      0.00000
   1479       5.3840      0.00000
   1480       5.3903      0.00000
   1481       5.3966      0.00000
   1482       5.4117      0.00000
   1483       5.4218      0.00000
   1484       5.4279      0.00000
   1485       5.4399      0.00000
   1486       5.4494      0.00000
   1487       5.4636      0.00000
   1488       5.4729      0.00000
   1489       5.4764      0.00000
   1490       5.4877      0.00000
   1491       5.4932      0.00000
   1492       5.5069      0.00000
   1493       5.5111      0.00000
   1494       5.5182      0.00000
   1495       5.5291      0.00000
   1496       5.5387      0.00000
   1497       5.5517      0.00000
   1498       5.5578      0.00000
   1499       5.5614      0.00000
   1500       5.5783      0.00000
   1501       5.5873      0.00000
   1502       5.5986      0.00000
   1503       5.6089      0.00000
   1504       5.6122      0.00000
   1505       5.6161      0.00000
   1506       5.6254      0.00000
   1507       5.6381      0.00000
   1508       5.6415      0.00000
   1509       5.6458      0.00000
   1510       5.6587      0.00000
   1511       5.6669      0.00000
   1512       5.6750      0.00000
   1513       5.6844      0.00000
   1514       5.7063      0.00000
   1515       5.7145      0.00000
   1516       5.7224      0.00000
   1517       5.7268      0.00000
   1518       5.7332      0.00000
   1519       5.7483      0.00000
   1520       5.7577      0.00000
   1521       5.7620      0.00000
   1522       5.7799      0.00000
   1523       5.7860      0.00000
   1524       5.7990      0.00000
   1525       5.8141      0.00000
   1526       5.8196      0.00000
   1527       5.8234      0.00000
   1528       5.8388      0.00000
   1529       5.8541      0.00000
   1530       5.8648      0.00000
   1531       5.8680      0.00000
   1532       5.8775      0.00000
   1533       5.8848      0.00000
   1534       5.8923      0.00000
   1535       5.8994      0.00000
   1536       5.9097      0.00000
   1537       5.9235      0.00000
   1538       5.9328      0.00000
   1539       5.9366      0.00000
   1540       5.9437      0.00000
   1541       5.9731      0.00000
   1542       5.9782      0.00000
   1543       5.9836      0.00000
   1544       5.9904      0.00000
   1545       5.9959      0.00000
   1546       6.0080      0.00000
   1547       6.0165      0.00000
   1548       6.0288      0.00000
   1549       6.0346      0.00000
   1550       6.0492      0.00000
   1551       6.0538      0.00000
   1552       6.0603      0.00000
   1553       6.0661      0.00000
   1554       6.0735      0.00000
   1555       6.0792      0.00000
   1556       6.0961      0.00000
   1557       6.1017      0.00000
   1558       6.1109      0.00000
   1559       6.1161      0.00000
   1560       6.1323      0.00000
   1561       6.1463      0.00000
   1562       6.1530      0.00000
   1563       6.1635      0.00000
   1564       6.1660      0.00000
   1565       6.1774      0.00000
   1566       6.1848      0.00000
   1567       6.2003      0.00000
   1568       6.2032      0.00000
   1569       6.2107      0.00000
   1570       6.2185      0.00000
   1571       6.2269      0.00000
   1572       6.2344      0.00000
   1573       6.2405      0.00000
   1574       6.2450      0.00000
   1575       6.2527      0.00000
   1576       6.2730      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.088  13.413  -0.001   0.001  -0.000   0.001  -0.004   0.000
 13.413  17.832  -0.001   0.002  -0.000   0.002  -0.006   0.001
 -0.001  -0.001  -4.233   0.003   0.001   8.280  -0.004  -0.001
  0.001   0.002   0.003  -4.233   0.001  -0.004   8.279  -0.001
 -0.000  -0.000   0.001   0.001  -4.226  -0.001  -0.001   8.271
  0.001   0.002   8.280  -0.004  -0.001 -18.326   0.007   0.001
 -0.004  -0.006  -0.004   8.279  -0.001   0.007 -18.322   0.000
  0.000   0.001  -0.001  -0.001   8.271   0.001   0.000 -18.316
 total augmentation occupancy for first ion, spin component:           1
  8.432  -3.795   0.193   0.152  -0.046   0.025   0.028  -0.008
 -3.795   1.780  -0.103  -0.102   0.026  -0.011  -0.017   0.004
  0.193  -0.103   1.775  -0.059  -0.039   0.168  -0.012  -0.007
  0.152  -0.102  -0.059   1.896  -0.092  -0.012   0.177  -0.013
 -0.046   0.026  -0.039  -0.092   1.227  -0.008  -0.013   0.081
  0.025  -0.011   0.168  -0.012  -0.008   0.018  -0.002  -0.001
  0.028  -0.017  -0.012   0.177  -0.013  -0.002   0.018  -0.002
 -0.008   0.004  -0.007  -0.013   0.081  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -49897.29983 88492.65023 21649.88566-10177.65720  6255.78833 19037.86837
  Hartree  5775.97936115475.55316 59514.36240-10624.81399  4243.83268 13287.14533
  E(xc)  -10735.33397-10588.37480-10629.78281     2.86381     8.11798    33.43752
  Local   10695.41857************************ 20800.45124-10523.16115-31721.95572
  n-local -5844.41953 -5981.71277 -6036.27509     4.46188    17.03000   -65.27231
  augment  1493.18062  1536.06875  1487.08315     4.60845    12.59058    -3.58987
  Kinetic 45488.38135 43265.95259 43650.38359   -30.35067   -66.69417  -577.76278
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -116.2346946   -388.5034346   -157.2674151    -20.4364902    -52.4957456    -10.1294572
  in kB      -19.3830657    -64.7860574    -26.2256003     -3.4079483     -8.7540858     -1.6891681
  external PRESSURE =     -36.7982411 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.227E+03 -.106E+03 0.246E+03   0.227E+03 0.107E+03 -.248E+03   -.813E-01 -.320E+00 0.144E+01   0.333E-03 0.140E-04 -.171E-03
   -.186E+03 -.133E+03 0.612E+02   0.185E+03 0.134E+03 -.609E+02   0.184E+00 -.124E+01 -.215E+00   0.212E-03 -.374E-04 -.734E-04
   -.154E+03 -.126E+03 0.611E+01   0.153E+03 0.127E+03 -.448E+01   0.431E+00 -.110E+01 -.154E+01   0.157E-03 -.851E-04 -.443E-04
   -.213E+03 -.928E+02 0.332E+03   0.214E+03 0.928E+02 -.335E+03   -.365E+00 0.183E+00 0.233E+01   0.420E-03 -.404E-04 -.373E-03
   -.161E+03 -.145E+03 0.297E+03   0.160E+03 0.146E+03 -.299E+03   0.108E+00 -.600E+00 0.106E+01   0.272E-03 -.125E-03 -.313E-03
   -.138E+03 -.111E+03 0.166E+03   0.138E+03 0.111E+03 -.166E+03   0.154E+00 -.231E+00 0.167E+00   0.123E-03 -.148E-03 -.112E-03
   -.227E+03 -.130E+03 0.173E+03   0.226E+03 0.135E+03 -.173E+03   0.552E+00 -.425E+01 0.929E+00   0.368E-03 0.126E-03 -.113E-03
   -.182E+03 -.104E+03 0.312E+02   0.182E+03 0.108E+03 -.332E+02   -.588E+00 -.410E+01 0.200E+01   0.204E-03 0.504E-04 -.557E-04
   -.984E+02 0.551E+01 0.194E+03   0.983E+02 -.549E+01 -.194E+03   0.106E+00 -.483E-01 0.232E+00   0.397E-04 -.103E-03 -.607E-04
   -.786E+02 0.886E+02 0.618E+02   0.781E+02 -.902E+02 -.606E+02   0.451E+00 0.148E+01 -.113E+01   0.239E-04 -.525E-04 0.454E-04
   -.850E+02 0.103E+03 0.132E+03   0.848E+02 -.104E+03 -.132E+03   0.170E+00 0.103E+01 -.227E-02   0.144E-05 0.102E-04 0.658E-04
   -.985E+02 -.331E+01 0.329E+03   0.986E+02 0.300E+01 -.330E+03   -.859E-01 0.759E-01 0.107E+01   0.739E-04 -.727E-04 -.207E-03
   -.106E+03 -.466E+02 0.356E+03   0.107E+03 0.477E+02 -.358E+03   -.254E+00 -.107E+01 0.212E+01   0.664E-04 0.937E-04 -.212E-03
   -.106E+03 0.175E+02 0.300E+03   0.106E+03 -.174E+02 -.301E+03   -.253E-01 -.427E-01 0.141E+01   0.560E-05 0.102E-03 -.427E-04
   -.987E+02 0.107E+03 0.260E+03   0.979E+02 -.112E+03 -.261E+03   0.569E+00 0.388E+01 0.225E+01   0.367E-04 0.107E-03 -.565E-04
   -.822E+02 0.116E+03 0.103E+03   0.822E+02 -.119E+03 -.107E+03   0.449E-01 0.302E+01 0.333E+01   0.516E-04 -.250E-06 0.954E-04
   -.668E+02 0.105E+03 0.514E+02   0.673E+02 -.100E+03 -.473E+02   -.552E+00 -.456E+01 -.417E+01   0.635E-04 -.293E-05 -.363E-04
   -.375E+00 0.203E+03 -.150E+03   -.119E+00 -.204E+03 0.152E+03   0.379E+00 0.190E+01 -.185E+01   0.978E-04 -.178E-04 0.850E-04
   0.347E+02 0.153E+03 -.195E+03   -.350E+02 -.154E+03 0.197E+03   0.273E+00 0.189E+00 -.185E+01   0.627E-04 -.413E-04 0.987E-04
   -.642E+02 0.104E+03 0.179E+03   0.652E+02 -.103E+03 -.181E+03   -.107E+01 -.935E+00 0.323E+01   0.735E-04 0.475E-04 -.105E-03
   0.493E+01 0.659E+02 0.247E+01   -.616E+01 -.674E+02 -.112E+01   0.124E+01 0.143E+01 -.127E+01   0.525E-04 -.281E-04 -.590E-04
   0.149E+02 0.100E+02 -.122E+03   -.149E+02 -.103E+02 0.122E+03   0.378E-01 0.114E+00 -.108E+01   0.411E-04 -.808E-04 0.253E-05
   -.214E+02 -.378E+02 -.173E+03   0.218E+02 0.381E+02 0.172E+03   -.262E+00 -.141E+00 0.530E+00   0.875E-05 -.882E-04 0.130E-03
   -.330E+02 -.782E+02 -.231E+03   0.341E+02 0.799E+02 0.230E+03   -.115E+01 -.168E+01 0.983E+00   0.962E-05 -.108E-03 0.338E-03
   -.147E+02 -.159E+03 -.334E+03   0.140E+02 0.160E+03 0.336E+03   0.529E+00 -.706E+00 -.174E+01   0.311E-04 -.104E-03 0.440E-03
   -.998E+02 -.161E+03 -.156E+03   0.101E+03 0.161E+03 0.155E+03   -.114E+01 -.413E-01 0.157E+01   0.913E-05 -.149E-04 0.333E-04
   -.894E+02 -.278E+03 -.188E+03   0.898E+02 0.279E+03 0.187E+03   -.292E+00 -.839E+00 0.319E+00   -.725E-05 -.373E-05 0.143E-03
   -.367E+02 -.264E+03 -.285E+03   0.367E+02 0.266E+03 0.285E+03   0.156E+00 -.126E+01 -.543E+00   0.127E-04 -.372E-04 0.349E-03
   -.424E+02 -.256E+02 -.220E+03   0.482E+02 0.337E+02 0.216E+03   -.587E+01 -.793E+01 0.479E+01   0.854E-04 -.431E-04 0.380E-03
   0.296E+00 0.515E+02 0.219E+02   -.538E+01 -.601E+02 -.170E+02   0.482E+01 0.857E+01 -.478E+01   0.138E-03 -.874E-04 0.462E-04
   -.192E+03 -.247E+02 -.450E+02   0.193E+03 0.248E+02 0.465E+02   -.275E+00 -.112E-01 -.153E+01   -.418E-04 0.236E-04 -.254E-04
   -.128E+03 -.145E+03 0.136E+03   0.127E+03 0.146E+03 -.136E+03   0.291E-01 -.137E+01 -.238E+00   -.240E-04 -.296E-04 0.593E-05
   -.136E+03 -.157E+03 0.188E+03   0.136E+03 0.159E+03 -.189E+03   0.324E+00 -.170E+01 0.107E+01   -.119E-06 -.638E-04 0.405E-04
   -.290E+03 0.989E+01 -.171E+03   0.290E+03 -.114E+02 0.173E+03   -.214E-01 0.165E+01 -.244E+01   -.641E-04 0.508E-04 0.119E-04
   -.284E+03 -.624E+02 -.186E+03   0.284E+03 0.625E+02 0.187E+03   -.387E-02 -.265E-01 -.117E+01   -.286E-04 0.289E-05 0.557E-04
   -.203E+03 -.727E+02 0.675E+01   0.203E+03 0.726E+02 -.673E+01   0.249E+00 0.131E+00 -.136E-01   -.433E-05 -.358E-04 0.431E-04
   -.108E+03 -.516E+02 -.884E+01   0.109E+03 0.561E+02 0.111E+02   -.902E+00 -.391E+01 -.246E+01   -.670E-04 0.295E-04 -.611E-04
   -.689E+02 -.137E+03 0.113E+03   0.691E+02 0.141E+03 -.110E+03   -.139E+00 -.318E+01 -.360E+01   -.438E-04 -.151E-04 -.316E-04
   -.179E+03 0.496E+02 0.499E+01   0.179E+03 -.500E+02 -.509E+01   0.713E-01 0.243E+00 -.250E-01   0.155E-04 -.290E-04 0.419E-04
   -.971E+02 0.545E+02 0.208E+03   0.968E+02 -.556E+02 -.210E+03   0.276E+00 0.119E+01 0.176E+01   0.173E-04 -.117E-04 0.896E-04
   -.705E+02 0.752E+02 0.119E+03   0.705E+02 -.766E+02 -.119E+03   -.963E-01 0.142E+01 0.274E+00   0.188E-04 0.129E-04 0.587E-04
   -.213E+03 0.928E+02 -.219E+03   0.213E+03 -.938E+02 0.220E+03   -.637E-02 0.756E+00 -.881E+00   0.389E-04 -.531E-04 0.442E-04
   -.178E+03 0.456E+02 -.292E+03   0.178E+03 -.457E+02 0.294E+03   0.198E-01 0.126E+00 -.218E+01   0.511E-04 -.115E-04 0.268E-04
   -.108E+03 0.567E+02 -.147E+03   0.109E+03 -.575E+02 0.148E+03   -.275E+00 0.692E+00 -.133E+01   0.217E-04 0.115E-05 0.377E-05
   -.577E+02 0.998E+02 -.791E+02   0.577E+02 -.105E+03 0.791E+02   0.404E-01 0.458E+01 -.475E+00   0.155E-04 -.269E-05 -.686E-04
   -.210E+02 0.798E+02 0.138E+03   0.207E+02 -.842E+02 -.136E+03   0.475E+00 0.441E+01 -.192E+01   0.300E-04 0.640E-04 0.339E-04
   0.249E+02 0.473E+02 0.104E+03   -.234E+02 -.417E+02 -.106E+03   -.135E+01 -.554E+01 0.184E+01   0.357E-04 0.566E-05 0.236E-04
   -.165E+02 0.132E+03 0.266E+03   0.175E+02 -.134E+03 -.269E+03   -.953E+00 0.116E+01 0.221E+01   0.144E-03 0.193E-04 0.123E-04
   -.377E+02 0.121E+03 0.228E+03   0.387E+02 -.120E+03 -.230E+03   -.874E+00 -.386E+00 0.213E+01   0.198E-03 -.115E-04 -.468E-04
   0.510E+02 0.694E+02 -.386E+02   -.521E+02 -.695E+02 0.415E+02   0.115E+01 0.200E+00 -.297E+01   -.137E-04 -.776E-05 0.662E-05
   0.137E+02 0.261E+02 0.384E+02   -.133E+02 -.271E+02 -.404E+02   -.190E+00 0.104E+01 0.221E+01   -.693E-06 -.502E-04 -.263E-04
   -.189E+02 0.115E+02 0.888E+02   0.194E+02 -.114E+02 -.897E+02   -.526E+00 -.262E+00 0.816E+00   0.834E-04 -.434E-04 -.442E-04
   -.746E+02 0.215E+00 0.376E+02   0.745E+02 -.314E+00 -.369E+02   -.565E-01 0.154E+00 -.541E+00   0.128E-03 -.106E-04 -.100E-03
   -.144E+03 -.135E+02 0.866E+02   0.143E+03 0.143E+02 -.851E+02   0.966E+00 -.959E+00 -.157E+01   0.243E-03 -.621E-04 -.146E-03
   -.233E+03 -.675E+02 0.151E+03   0.235E+03 0.674E+02 -.154E+03   -.162E+01 -.193E+00 0.304E+01   0.268E-03 -.168E-04 -.134E-03
   -.764E+02 -.107E+03 -.113E+03   0.759E+02 0.107E+03 0.115E+03   0.575E+00 0.566E+00 -.178E+01   0.814E-04 -.130E-04 -.128E-03
   -.104E+03 -.115E+03 -.161E+03   0.104E+03 0.116E+03 0.164E+03   0.710E+00 -.115E+01 -.261E+01   0.129E-03 0.147E-04 -.127E-03
   -.170E+03 -.478E+02 0.202E+02   0.168E+03 0.419E+02 -.182E+02   0.123E+01 0.597E+01 -.195E+01   0.207E-03 0.605E-04 -.946E-04
   -.175E+03 0.181E+02 0.127E+03   0.171E+03 -.120E+02 -.119E+03   0.350E+01 -.585E+01 -.827E+01   0.570E-03 -.167E-03 -.196E-03
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   -.358E+03 -.952E+02 0.341E+03   0.379E+03 0.113E+03 -.386E+03   -.216E+02 -.180E+02 0.451E+02   -.456E-03 -.805E-04 -.118E-03
   -.422E+03 0.346E+03 -.863E+02   0.454E+03 -.386E+03 0.100E+03   -.320E+02 0.405E+02 -.138E+02   -.425E-03 0.367E-04 -.909E-04
   0.209E+03 0.316E+03 0.156E+03   -.254E+03 -.335E+03 -.175E+03   0.448E+02 0.183E+02 0.184E+02   -.749E-04 -.222E-04 -.149E-03
   0.521E+03 -.202E+03 0.109E+03   -.549E+03 0.236E+03 -.756E+02   0.273E+02 -.337E+02 -.327E+02   0.473E-03 -.481E-03 0.799E-03
   0.162E+03 -.237E+03 0.239E+03   -.133E+03 0.269E+03 -.266E+03   -.294E+02 -.320E+02 0.273E+02   0.110E-02 -.340E-03 0.323E-03
   0.776E+03 0.172E+03 0.475E+03   -.815E+03 -.189E+03 -.508E+03   0.386E+02 0.178E+02 0.335E+02   0.833E-03 -.867E-03 0.414E-03
   0.907E+02 -.151E+03 -.402E+03   -.747E+02 0.162E+03 0.452E+03   -.164E+02 -.112E+02 -.499E+02   0.330E-03 -.687E-04 -.604E-04
   0.514E+03 0.403E+03 -.199E+03   -.553E+03 -.438E+03 0.206E+03   0.390E+02 0.352E+02 -.716E+01   0.264E-03 -.795E-05 0.764E-05
   -.809E+02 0.221E+03 0.996E+02   0.121E+03 -.246E+03 -.120E+03   -.401E+02 0.254E+02 0.201E+02   0.217E-03 0.884E-04 -.858E-04
   -.548E+03 -.203E+03 0.450E+03   0.597E+03 0.219E+03 -.462E+03   -.489E+02 -.158E+02 0.122E+02   -.183E-03 0.172E-04 -.624E-04
   0.465E+02 -.387E+03 0.517E+02   -.728E+02 0.428E+03 -.317E+02   0.265E+02 -.416E+02 -.200E+02   0.241E-03 -.644E-04 0.192E-03
   -.626E+02 0.104E+03 -.263E+02   0.669E+02 -.136E+03 0.693E+02   -.441E+01 0.320E+02 -.431E+02   0.142E-03 0.984E-05 0.694E-04
   0.762E+03 -.178E+03 0.757E+02   -.801E+03 0.208E+03 -.968E+02   0.391E+02 -.306E+02 0.212E+02   0.119E-02 0.206E-03 -.109E-02
   0.169E+03 0.313E+03 0.226E+03   -.145E+03 -.333E+03 -.267E+03   -.241E+02 0.197E+02 0.402E+02   0.964E-03 0.289E-04 -.728E-03
   0.675E+03 0.365E+03 0.157E+03   -.705E+03 -.406E+03 -.136E+03   0.301E+02 0.403E+02 -.210E+02   0.128E-02 -.135E-03 -.382E-03
   0.651E+03 -.156E+03 -.403E+03   -.652E+03 0.169E+03 0.455E+03   0.683E+00 -.119E+02 -.522E+02   -.309E-03 0.771E-04 -.140E-02
   0.500E+03 -.403E+03 -.582E+02   -.495E+03 0.446E+03 0.312E+02   -.551E+01 -.431E+02 0.270E+02   -.529E-03 -.555E-04 -.243E-03
   0.932E+03 0.143E+03 -.916E+02   -.983E+03 -.157E+03 0.813E+02   0.511E+02 0.142E+02 0.102E+02   -.132E-02 -.364E-03 -.106E-02
   -.445E+03 0.148E+02 -.358E+03   0.477E+03 -.120E+02 0.400E+03   -.317E+02 -.260E+01 -.421E+02   0.953E-04 -.204E-03 -.421E-04
   -.126E+02 0.496E+03 -.706E+02   0.299E+01 -.549E+03 0.731E+02   0.965E+01 0.525E+02 -.253E+01   0.450E-03 -.148E-03 -.161E-03
   -.251E+03 -.772E+02 0.188E+03   0.278E+03 0.857E+02 -.233E+03   -.275E+02 -.862E+01 0.447E+02   -.110E-03 0.595E-04 0.175E-03
   -.284E+03 -.330E+03 0.631E+02   0.296E+03 0.363E+03 -.102E+03   -.123E+02 -.321E+02 0.392E+02   0.157E-03 -.335E-04 0.252E-03
   0.489E+02 -.431E+03 -.303E+03   -.586E+02 0.460E+03 0.346E+03   0.963E+01 -.288E+02 -.435E+02   0.195E-03 0.230E-03 0.188E-03
   -.433E+03 -.326E+02 -.286E+02   0.477E+03 0.909E+01 0.421E+02   -.443E+02 0.236E+02 -.137E+02   -.129E-03 0.560E-04 0.469E-03
   0.857E+03 -.696E+02 -.177E+03   -.903E+03 0.921E+02 0.160E+03   0.458E+02 -.224E+02 0.171E+02   -.120E-02 -.511E-03 0.249E-03
   0.456E+03 0.379E+03 0.381E+02   -.444E+03 -.408E+03 -.799E+02   -.118E+02 0.283E+02 0.418E+02   -.107E-02 -.498E-03 0.256E-03
   0.713E+03 0.289E+03 -.413E+03   -.728E+03 -.323E+03 0.452E+03   0.152E+02 0.332E+02 -.391E+02   -.160E-02 -.636E-03 -.583E-05
   0.384E+03 -.657E+02 -.620E+03   -.416E+03 0.785E+02 0.659E+03   0.326E+02 -.127E+02 -.389E+02   -.429E-03 -.271E-03 0.561E-03
   -.501E+01 -.396E+03 -.898E+02   0.343E+02 0.438E+03 0.773E+02   -.292E+02 -.424E+02 0.123E+02   -.325E-03 -.311E-04 0.434E-04
   0.237E+03 0.149E+03 0.148E+03   -.268E+03 -.154E+03 -.193E+03   0.310E+02 0.543E+01 0.444E+02   -.205E-03 -.101E-03 0.138E-03
   -.236E+03 -.186E+03 -.383E+03   0.275E+03 0.192E+03 0.418E+03   -.392E+02 -.653E+01 -.351E+02   0.133E-03 -.593E-04 0.232E-03
   0.230E+03 0.329E+03 -.228E+03   -.243E+03 -.376E+03 0.243E+03   0.131E+02 0.477E+02 -.144E+02   0.424E-04 0.480E-04 0.990E-04
   -.675E+02 -.877E+02 0.133E+03   0.900E+02 0.841E+02 -.182E+03   -.226E+02 0.348E+01 0.482E+02   0.156E-03 -.140E-03 0.331E-05
   -.222E+03 -.418E+03 0.387E+03   0.245E+03 0.452E+03 -.422E+03   -.234E+02 -.331E+02 0.343E+02   0.389E-03 -.344E-03 -.415E-04
   0.133E+03 -.461E+03 -.197E+03   -.151E+03 0.489E+03 0.237E+03   0.172E+02 -.274E+02 -.395E+02   -.354E-04 -.155E-03 0.113E-03
   -.272E+03 -.103E+03 0.350E+02   0.312E+03 0.754E+02 -.123E+02   -.399E+02 0.277E+02 -.229E+02   0.100E-03 -.241E-03 0.277E-03
   0.815E+02 -.215E+03 0.801E+03   -.101E+03 0.243E+03 -.841E+03   0.201E+02 -.287E+02 0.410E+02   -.867E-03 -.139E-03 -.644E-03
   -.137E+03 0.188E+03 0.543E+03   0.176E+03 -.216E+03 -.564E+03   -.390E+02 0.282E+02 0.210E+02   -.552E-03 0.198E-03 -.336E-03
   0.202E+03 0.375E+03 0.387E+03   -.241E+03 -.407E+03 -.377E+03   0.391E+02 0.314E+02 -.942E+01   -.535E-03 0.991E-04 -.319E-03
 -----------------------------------------------------------------------------------------------
   0.264E+02 0.318E+01 -.876E+01   0.235E-10 0.682E-12 0.512E-11   -.264E+02 -.317E+01 0.876E+01   0.805E-02 -.539E-02 0.127E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.13857      3.14606      1.33879         0.076036      0.082905     -0.095361
     12.90636      3.58603      2.63743        -0.031211     -0.126237      0.115303
     12.85668      4.93979      2.96873         0.077135      0.316982      0.086398
     13.18939      4.07551      0.30477        -0.018151      0.107521     -0.150617
     13.05239      5.43190      0.61823         0.021896      0.194269     -0.061232
     12.96861      5.92514      1.94482         0.068923     -0.136790      0.064716
     13.28584      1.66105      1.34557        -0.178926      0.499771      0.329025
     12.70714      2.38002      3.50176         0.022473     -0.028818     -0.025640
     13.06776      7.40643      2.21076         0.010376     -0.028068      0.190150
     13.08318      7.96424      3.51715        -0.019011     -0.118128      0.005991
     13.31385      9.33044      3.68844        -0.015204      0.018354      0.110297
     13.23663      8.32178      1.14333         0.008432     -0.233083     -0.197760
     13.46033      9.68844      1.31696        -0.014226      0.040581     -0.028814
     13.51542     10.19198      2.61635         0.058745      0.039401     -0.036535
     13.76280     11.57511      3.13385        -0.260829     -0.791823      0.581268
     13.38190     10.12929      4.95667         0.066299      0.060583     -0.519091
     13.75382     12.59105      5.50394        -0.051130     -0.064911     -0.118089
     13.49638     12.46395      6.87159        -0.114829      0.174643      0.246609
     13.54040     13.57180      7.72301        -0.073711     -0.163629     -0.107685
     14.09816     13.88424      5.07481        -0.055893     -0.033234      0.288536
     14.14448     14.98934      5.94590         0.008431     -0.062629      0.077284
     13.84110     14.89127      7.35792         0.026848     -0.151829     -0.449727
     13.88605     15.99000      8.40047         0.085913      0.179334      0.043900
     13.24330     16.02958      9.68939        -0.021895      0.000610     -0.008496
     13.32426     17.17780     10.50177        -0.093767     -0.078507      0.042630
     14.63502     17.15273      8.13030         0.037493      0.040329     -0.080116
     14.63487     18.31505      8.89006         0.045603      0.023030      0.108826
     13.94656     18.35335     10.09523         0.111230      0.055382     -0.062908
     12.43046     14.91463     10.31642         0.014142      0.122561      0.106536
     14.71766     16.21124      5.26171        -0.263918      0.005893      0.185893
      9.81841      3.84323      4.72500         0.030340      0.078991     -0.009998
      9.71841      4.77118      3.69162        -0.015120     -0.096640     -0.015236
      9.76166      6.15133      3.94201         0.034653      0.054667      0.033936
     10.02826      4.26422      6.03058         0.052967      0.152102      0.103959
     10.09802      5.63433      6.28664         0.118639      0.072530     -0.008002
      9.96024      6.62239      5.27394        -0.021074      0.044788      0.003294
      9.60168      2.46890      4.19972         0.134453      0.624456     -0.226317
      9.58309      3.99420      2.40748        -0.008000      0.202258     -0.214921
     10.02883      8.08558      5.66152        -0.011719     -0.115353     -0.120272
     10.07282      9.13878      4.71231        -0.026095      0.033897     -0.067342
     10.19363     10.45945      5.14708        -0.093966      0.026656     -0.037305
     10.03204      8.47369      7.02771         0.075943     -0.222374     -0.067327
     10.10026      9.80284      7.45731         0.026346      0.067871     -0.001138
     10.20690     10.80829      6.49709         0.015656     -0.042661     -0.072195
     10.28081     12.29740      6.61461         0.043105     -0.430796     -0.516250
     10.28099     11.71326      4.34183         0.080044     -0.006774     -0.232810
     10.71336     14.15826      4.88616         0.108117      0.056383     -0.130242
     11.24100     14.48825      3.63234         0.057339      0.036653     -0.155517
     11.61141     15.79734      3.32439         0.121922      0.092888      0.046009
     10.57644     15.24045      5.76698         0.047353      0.068101     -0.056149
     10.95697     16.56546      5.45394         0.142877      0.030730      0.142328
     11.53311     16.92575      4.17431         0.063249     -0.105302     -0.118962
     12.04820     18.30184      3.70357        -0.142002      0.053822      0.121864
     12.64024     18.70211      2.44252         0.087167     -0.107123     -0.133661
     12.95963     20.05209      2.17920        -0.129611     -0.262659      0.023381
     11.93700     19.40341      4.58163         0.050614      0.124342     -0.089340
     12.21551     20.74334      4.30832        -0.106444     -0.083751      0.213086
     12.70323     21.11520      3.05554        -0.063656      0.004566      0.051808
     13.10382     17.80585      1.27127        -0.126101      0.240840      0.111912
     10.78466     17.48605      6.66112        -0.134832     -0.244588      0.105996
     10.52841      7.06860     14.74563         0.134965     -0.192390     -0.055879
     10.44655      7.48995     16.06819         0.005755     -0.002626      0.080969
     10.45951      8.84386     16.41110         0.106836      0.586269      0.075210
     10.54564      8.00713     13.72411        -0.063387      0.402625     -0.262518
     10.47883      9.37131     14.05835        -0.003257     -0.003631     -0.009846
     10.48666      9.85982     15.39178         0.120645     -0.386691      0.256474
     10.56796      5.57413     14.69655        -0.048670      0.178116      0.198239
     10.28685      6.26198     16.92748         0.081014      0.080158     -1.174015
     10.55260     11.35992     15.65019         0.077245     -0.069396      0.179058
     10.62023     11.96936     16.93745         0.005598     -0.245022      0.086680
     10.72216     13.36162     17.05676         0.031679      0.019524      0.128794
     10.60601     12.25369     14.55205         0.024357     -0.206691     -0.061352
     10.73952     13.63858     14.66851         0.006656      0.042057     -0.048337
     10.79612     14.19812     15.94519         0.063800      0.082503     -0.023775
     10.93018     15.62522     16.39908        -0.180960     -0.741389      0.411840
     10.76074     14.22840     18.29079         0.038670      0.104538     -0.531748
     10.75384     16.76116     18.69590        -0.035945      0.002087      0.175695
     10.08160     16.73825     19.91748        -0.078619     -0.159764     -0.047931
      9.91313     17.90092     20.66881        -0.053483     -0.144406      0.034173
     11.28900     18.01577     18.35747        -0.056309     -0.022169      0.100175
     11.15259     19.18960     19.14298         0.181038     -0.065400     -0.205046
     10.40633     19.18815     20.39487         0.060431      0.088479     -0.051956
     10.10868     20.34012      0.13175        -0.094544      0.042352      0.189739
      9.42662     20.29951      1.42220         0.047856     -0.088695     -0.204598
      9.22563      0.19669      2.21079         0.031471      0.028842      0.001824
     10.50220      0.39966     21.08943         0.091536      0.016263     -0.080716
     10.30942      1.54725      0.60641        -0.089991     -0.069384      0.112259
      9.68089      1.47740      1.85478         0.075155      0.016787     -0.136299
      8.76794     19.07919      2.04821         0.305488      0.087221      0.262341
     11.94333     20.34510     18.49919        -0.218894     -0.039484      0.236798
      7.30196      7.64861     17.36095        -0.086518     -0.030651      0.110636
      7.15042      8.57380     16.33166        -0.090387      0.054670      0.011618
      7.09272      9.94901     16.60426         0.012778      0.224637     -0.011129
      7.50155      8.06927     18.67032        -0.016757      0.054085      0.034189
      7.51664      9.43933     18.93578         0.078332      0.215595      0.044743
      7.28759     10.43007     17.93811        -0.002379      0.000022      0.052928
      7.06750      6.27493     16.83903         0.219515      0.679944     -0.366449
      7.01936      7.79544     15.04303         0.152323     -0.090303      0.064847
      7.25409     11.89692     18.36033        -0.025574     -0.015002     -0.193157
      7.16386     12.99292     17.45023        -0.008749     -0.239478     -0.135487
      7.17913     14.30901     17.92347        -0.065693      0.182881     -0.000088
      7.34543     12.24368     19.73587         0.083678     -0.226626     -0.105188
      7.35014     13.56119     20.20367        -0.054428     -0.030524      0.038203
      7.24224     14.60498     19.28646         0.001880      0.025892     -0.034823
      7.18953     16.09099     19.47989         0.036545     -0.090974     -0.179563
      7.17706     15.61755     17.17699         0.005549     -0.017192      0.086010
      7.51208     18.06499     17.86062         0.109918     -0.063879     -0.090686
      8.31310     18.42723     16.77410         0.000431     -0.163288     -0.044529
      8.67781     19.75171     16.55445         0.194335      0.200392     -0.077321
      7.06803     19.13691     18.64454        -0.038403      0.039656     -0.002206
      7.43080     20.49299     18.41142        -0.069202     -0.057617      0.203590
      8.31140     20.87916     17.32568         0.164201      0.017819     -0.157433
      8.89233      1.00952     16.92428        -0.047502      0.101465      0.019663
      9.61581      1.37638     15.70623         0.000185      0.062937      0.070168
     10.04612      2.71117     15.51057         0.244995      0.049189     -0.195327
      8.73460      2.12524     17.78903        -0.023782     -0.296503      0.188744
      9.21270      3.43033     17.60132        -0.190648     -0.049066     -0.147190
      9.85813      3.77870     16.41098         0.146398     -0.379285     -0.218733
     10.10953      0.50932     14.50711         0.131230     -0.330480      0.107634
      6.73889      0.15682     19.41817        -0.241809     -0.170081     -0.082780
      6.91876     10.82806      6.19184        -0.002795      0.032257     -0.060775
      6.84288     11.27462      7.50829         0.022161     -0.008160     -0.033094
      6.88332     12.64061      7.83159         0.066648      0.328872      0.082546
      7.07781     11.76050      5.16348        -0.037235      0.094920     -0.006480
      7.14056     13.12499      5.48774        -0.033932      0.107942     -0.059012
      7.03869     13.63450      6.80932        -0.043706     -0.050704      0.212694
      6.91454      9.32791      6.17574        -0.079919      0.316920      0.510607
      6.82834     10.05465      8.39336        -0.031216     -0.025013     -0.162805
      7.13690     15.14812      7.05164        -0.101593     -0.136345      0.282047
      7.12596     15.77198      8.34055        -0.008080     -0.205561      0.014712
      7.24423     17.16841      8.46063         0.023155      0.032500      0.032440
      7.28732     16.03497      5.95149        -0.082535     -0.114327     -0.161026
      7.37120     17.42556      6.07633        -0.075472     -0.056681     -0.079087
      7.32301     17.99608      7.34439        -0.029679      0.032238     -0.114698
      7.45427     19.43137      7.76226         0.003882     -0.478386      0.363297
      7.44429     18.04265      9.67430        -0.025480      0.223470     -0.687822
      7.66627     20.57597     10.03056         0.089048      0.061831     -0.037830
      7.21139     20.56382     11.34211        -0.022095     -0.007966      0.129856
      7.20835      0.45636     12.11448        -0.035799      0.170538      0.084638
      8.27343      0.52621      9.63068         0.076586     -0.010295      0.049072
      8.37406      1.66716     10.47024         0.115808      0.006620     -0.049085
      7.73153      1.71648     11.77867        -0.025088     -0.244249      0.146293
      7.52941      2.85975     12.79801        -0.108085     -0.052058      0.181657
      6.89938      2.83340     14.12345         0.021599     -0.151135     -0.109974
      6.70828      4.00376     14.87964         0.088147      0.115646     -0.014388
      7.93025      4.16467     12.46712         0.143012      0.167489     -0.087393
      7.80306      5.31619     13.25869        -0.045002      0.030723     -0.274946
      7.16989      5.27538     14.50012        -0.008448     -0.129403      0.120538
      6.29844      1.64505     14.88125        -0.148280     -0.092591     -0.020728
      9.35006      2.70673      9.91087         0.023821     -0.237060     -0.078397
      4.28171     11.51942     10.50643        -0.069865     -0.017989      0.057804
      4.03320     12.38501      9.44823        -0.043772      0.068695     -0.096215
      4.13333     13.77139      9.59619         0.004347      0.110463     -0.102252
      4.66058     12.03601     11.74602         0.030730      0.133114     -0.030382
      4.68295     13.42768     11.91536         0.098151      0.056060      0.083074
      4.43349     14.34369     10.86074        -0.062657      0.074349     -0.170435
      3.87611     10.13718     10.12108        -0.080302      0.231445     -0.403108
      3.53926     11.57632      8.28098         0.181116     -0.206589      0.461705
      4.44455     15.84346     11.09871        -0.073228     -0.131360     -0.235150
      4.06984     16.79518     10.09882         0.014664     -0.178490      0.087558
      4.10880     18.16328     10.38735         0.000818      0.059878      0.145042
      4.84556     16.35384     12.35812        -0.007805     -0.155006      0.026390
      4.79854     17.71162     12.66978        -0.057228      0.056445     -0.105174
      4.40822     18.60362     11.67426         0.045641     -0.114550      0.122414
      4.28046     20.07357     11.72931         0.032440      0.062910      0.243850
      3.94983     19.39047      9.53165        -0.279935      0.010426     -1.424250
      4.35186      0.63312     10.01401         0.125346      0.081205     -0.088722
      4.84975      0.99857      8.76401        -0.044176     -0.226598     -0.104742
      5.36381      2.26990      8.56509         0.178019      0.178974     -0.035810
      4.23554      1.70552     10.90470        -0.067738     -0.192288      0.014681
      4.73516      3.01179     10.68076         0.055247      0.185216     -0.081677
      5.44442      3.35948      9.46573        -0.043009      0.088480     -0.120136
      6.06662      4.71738      8.96318        -0.069444     -0.018109     -0.019919
      6.54585      5.03375      7.63087        -0.045679     -0.028049      0.054153
      6.84495      6.35792      7.20045        -0.115557     -0.323359      0.047126
      6.06685      5.88403      9.75614        -0.042203      0.074515      0.204150
      6.28457      7.19975      9.32005         0.087177     -0.232697      0.017682
      6.65031      7.50178      7.99996        -0.065360      0.075824      0.202631
      6.71576      3.99072      6.53397        -0.016712      0.337849     -0.225826
      4.19756      3.83806     11.84072         0.008216      0.053708      0.048435
      0.84757     14.11959      0.99384        -0.221741     -0.015979     -0.298441
      1.51598     14.56141      2.12702         0.069517      0.190977     -0.023401
      1.55055     15.95129      2.41734        -0.017061     -0.012428     -0.057937
      0.35481     15.01068      0.04786        -0.078021     -0.110726     -0.047262
      0.48238     16.37359      0.29462        -0.129973      0.054795     -0.114378
      1.00213     16.91725      1.49570         0.088040     -0.131882      0.251344
      0.78744     12.64246      0.95584        -0.094479      0.120418     -0.075725
      2.15885     13.30713      2.74289        -0.657588      0.258117     -0.796626
      0.93958     18.44685      1.66077        -0.049830      0.100546      0.054566
      1.32492     19.20080      2.81359         0.005204     -0.263863      0.037578
      1.21457     20.60084      2.82232        -0.035958      0.137046     -0.150127
      0.43180     19.23088      0.57817         0.022825     -0.323693      0.006527
      0.25340     20.61457      0.61528        -0.014631     -0.023345     -0.164904
      0.65495      0.04296      1.75220        -0.065670      0.085910      0.107290
      0.57482      1.50333      2.06947         0.204065     -0.537162      0.338558
      1.66760      0.36579      3.83230        -0.218089     -0.035008     -0.448000
      1.33150      2.91730      4.05683        -0.073247     -0.088552     -0.291184
      1.94713      3.00622      5.29939         0.298076     -0.006773      0.218867
      2.08806      4.22663      5.95108        -0.016268     -0.128308     -0.105822
      0.78801      4.13402      3.59047         0.074401      0.050562      0.337419
      0.88077      5.35027      4.31522        -0.011023     -0.095402      0.171345
      1.62656      5.49017      5.55178        -0.124533     -0.260921     -0.221620
      1.99099      6.70598      6.41830         0.154771      0.123135      0.251532
      2.46225      6.68902      7.78491         0.129677     -0.193681      0.306050
      2.88525      7.83958      8.47959        -0.072324     -0.223232     -0.086606
      2.01615      8.03080      5.92222        -0.140966      0.133131     -0.315272
      2.47413      9.18539      6.58911         0.008934     -0.210070      0.026729
      2.94128      9.11536      7.92022         0.124776      0.183829     -0.078432
      2.73557      5.45948      8.64120         0.300130      0.306787     -0.058767
      0.06076      6.44180      3.68543         0.064545      0.125744     -0.302456
      4.61381     14.07668      0.65717         0.106945      0.149100      0.247994
      4.03688     14.98443     -0.23191         0.010453      0.162293      0.113442
      4.07569     16.37518      0.00218        -0.047645      0.429839      0.012555
      5.25614     14.56357      1.79641         0.019859     -0.064622      0.104232
      5.24231     15.94068      2.05192         0.029203      0.174442      0.122625
      4.64658     16.92466      1.20947        -0.070119     -0.206119     -0.241274
      4.41550     12.67755      0.17493        -0.116219      0.290821     -0.165630
      3.42130     14.16074     19.91676         0.103727     -0.021617      0.547340
      4.68670     18.41119      1.65467        -0.085965      0.087670     -0.169789
      4.16650     19.55378      0.95752        -0.096253     -0.084720     -0.157701
      4.31829     20.86709      1.47355         0.046466      0.151552      0.099496
      5.31455     18.72194      2.89106        -0.106510     -0.154687     -0.022456
      5.49718     20.01152      3.39069        -0.084583      0.224748      0.049478
      5.01004     21.10062      2.65955         0.111996      0.050348      0.199622
      5.12716      1.32710      2.92560        -0.479312     -0.293561     -0.633043
      3.85016      0.97176      0.97579         0.113659      0.053225      0.105023
      4.05035      3.45164      1.85173         0.136686      0.171999      0.115607
      3.16438      4.03963      0.93117        -0.119392     -0.114465     -0.196427
      2.93428      5.42294      0.85140         0.055202     -0.110558      0.033965
      4.61179      4.41558      2.73487        -0.151941     -0.377892     -0.124583
      4.27067      5.79428      2.73045        -0.135953     -0.062117      0.018317
      3.43546      6.41055      1.72913        -0.064291      0.262857     -0.001019
      3.02547      7.92004      1.61446         0.318788      0.042621      0.319186
      1.83657      8.48728      1.02402        -0.220873     -0.352449     -0.035860
      1.50279      9.83957      1.14667         0.274343      0.188077      0.417360
      3.79481      8.93732      2.25608        -0.074527     -0.407140     -0.145154
      3.40559     10.26714      2.49338        -0.139564      0.128617     -0.027199
      2.23352     10.78529      1.90657        -0.258088     -0.287979     -0.153676
      0.81415      7.72879      0.16651        -0.196873      0.136890     -0.126983
      4.90458      6.50136      3.91221        -0.081080     -0.012367     -0.238039
     18.02440     17.33321     13.78791         0.073643     -0.012844      0.015880
     19.02411     17.80501     14.63395         0.092879     -0.031704      0.159767
     19.27462     19.17327     14.80270        -0.019961      0.092345      0.138301
     17.32689     18.23943     12.99105        -0.086153      0.125588     -0.119085
     17.63314     19.60359     13.08938        -0.050223      0.096865     -0.028880
     18.54549     20.13020     14.04035         0.036897     -0.010759      0.059962
     17.97886     15.83623     13.87160         0.344840      0.354349      0.190777
     19.72517     16.61440     15.23014        -0.102763      0.074942     -0.107607
     18.67314      0.36912     14.23742         0.123795     -0.180586      0.173573
     19.58753      0.94639     15.16262         0.037141     -0.129779      0.124385
     19.58041      2.32711     15.37870         0.056459      0.233331      0.094589
     17.80896      1.26303     13.55666        -0.039489     -0.124633     -0.037403
     17.81689      2.64685     13.76466         0.048091     -0.095214      0.008647
     18.71776      3.17572     14.68587        -0.100878      0.167081      0.033653
     18.92996      4.59631     15.13344         0.362666     -0.717718      0.227232
     20.37199      3.17743     16.33990         0.025069     -0.109626      0.130125
     20.57342      5.68583     16.77061        -0.255273     -0.138664     -0.210212
      0.63125      5.67450     17.20063         0.348039      0.454350      0.301073
      1.23438      6.83105     17.70108        -0.142173     -0.021745     -0.145466
     19.88785      6.88392     16.99723        -0.023713      0.353123      0.017053
     20.49469      8.05104     17.54418        -0.204227     -0.182517      0.040394
      0.64722      8.09626     17.87779         0.190084      0.201984      0.140801
      1.53975      9.26701     18.44283        -0.012995      0.363599      0.145997
      2.91730      9.25987     18.95366        -0.203727     -0.275363      0.079084
      3.53813     10.42480     19.47717        -0.656232      0.311296     -0.089262
      1.00049     10.57871     18.53769         0.334659     -0.125875      0.187851
      1.60646     11.71792     19.10358        -0.169343     -0.364727     -0.220814
      2.89811     11.67386     19.62247         0.240226     -0.671682     -0.177154
      4.00797      8.15909     18.93505        -0.563521      0.345521      0.117472
     19.45285      9.12220     17.85567         0.228823      0.070435      0.246611
      1.85638     18.25810     14.12439        -0.057853      0.062384     -0.044396
      1.15768     19.17361     13.34371        -0.217756      0.092257      0.002442
      1.21215     20.54710     13.59934        -0.031889      0.111122     -0.103747
      2.67726     18.71393     15.14927        -0.127066      0.079055      0.151724
      2.70821     20.08031     15.42877         0.134927      0.301492      0.024193
      1.98100     21.04604     14.68845        -0.052313      0.180667     -0.043399
      1.55256     16.87802     13.67089        -0.189424      0.399517     -0.171416
      0.38613     18.39933     12.30650         0.486257     -0.221741      0.658635
      2.11556      1.26542     15.01037        -0.059705     -0.218381     -0.198822
      1.58781      2.27510     14.16531         0.018187     -0.267716     -0.178754
      1.86798      3.61138     14.42101        -0.026985      0.365971      0.074286
      2.83519      1.71120     16.14795        -0.025175     -0.069990      0.023384
      3.19346      3.05498     16.34587        -0.107079     -0.165783     -0.091077
      2.74104      4.00970     15.43323        -0.001742     -0.023244     -0.009470
      2.99969      5.48867     15.28638        -1.011870     -1.148937     -0.519442
      1.34835      4.83998     13.75946        -1.298426      0.181633     -1.129686
      1.53139      7.31698     14.26102        -0.197663      0.094907     -0.006074
      0.21646      7.62077     13.89160        -0.168530     -0.074259      0.000352
     20.98216      8.91207     14.04690        -0.050917     -0.099383      0.064638
      2.29848      8.42396     14.66214        -0.166123      0.019719     -0.006229
      1.79154      9.73658     14.79112         0.065769      0.174250      0.116153
      0.40476     10.05754     14.49795        -0.089450     -0.085046      0.053300
     20.88002     11.38147     14.58915         0.062475      0.028623     -0.044057
     19.49609     11.66057     14.23214        -0.139161     -0.185337     -0.089213
     18.94545     12.95902     14.33520         0.086965     -0.141118     -0.050106
      0.26965     12.55220     15.03142        -0.005730      0.140513     -0.019864
     -0.26281     13.84239     15.09489         0.082628      0.034983      0.125449
     19.67048     14.09896     14.72216         0.241456     -0.043539      0.080615
     18.42699     10.65148     13.75117         0.053539      0.255337      0.141661
      2.89599     10.70393     15.22298         0.148283     -0.184524     -0.010333
     16.28187      0.40373      5.23936        -0.056562      0.160935     -0.031121
     16.92481      0.80029      6.41097        -0.067133     -0.033005      0.011549
     16.88502      2.13537      6.85021        -0.051813      0.219354      0.071431
     15.59540      1.33380      4.47797        -0.000759      0.080668     -0.111167
     15.60034      2.67172      4.87638        -0.008718      0.064191      0.102064
     16.22311      3.13467      6.06247         0.077536      0.000900      0.083398
     16.55971     20.23432      4.93953         0.203908      0.413374      0.319198
     17.64625     20.84582      6.94118        -0.265819      0.100014     -0.420964
     16.20058      4.63606      6.35539         0.087032     -0.107699      0.097476
     16.84358      5.27588      7.45755        -0.037550     -0.151250     -0.002882
     16.81292      6.67625      7.57100         0.001558      0.022690      0.044206
     15.53993      5.50704      5.44422        -0.001372     -0.149311     -0.065402
     15.57950      6.90042      5.52870         0.028271     -0.092357     -0.083590
     16.23731      7.49145      6.59847         0.036587     -0.016467      0.005911
     16.51913      8.93149      6.89497        -0.019762     -0.426543      0.262389
     17.39063      7.57775      8.62634        -0.455428      0.141019     -0.700681
     17.70026     10.10726      8.82807        -0.024380     -0.099857     -0.029239
     18.73483     10.01140      9.74847         0.141402      0.268539      0.189765
     19.30494     11.14801     10.31915        -0.073531     -0.131744     -0.099896
     17.22829     11.41110      8.60590         0.178893      0.166633      0.159596
     17.82762     12.55802      9.18903        -0.142497      0.053308     -0.069445
     18.95887     12.48217     10.08007        -0.097591     -0.186545      0.001739
     19.75991     13.59038     10.76478         0.329217     -0.002082      0.242149
     21.07397     13.50528     11.38595        -0.043781     -0.141610     -0.065483
      0.44599     14.64007     11.93812        -0.211650      0.078477      0.016932
     19.22599     14.88707     10.88652         0.024711      0.202349      0.091864
     19.85826     16.01774     11.41681         0.041575     -0.032230     -0.018789
     21.14168     15.91875     11.96872        -0.110773     -0.003995     -0.025775
      0.81524     12.33750     11.41260        -0.013857      0.143757      0.252535
     17.07171     13.82263      8.83557         0.147590     -0.171876     -0.063264
     20.29186      1.43508      6.18989         0.066973     -0.061954      0.046001
     19.69797      2.46323      5.45563         0.012583      0.314904      0.123412
     19.65834      3.76537      5.93841        -0.022828     -0.050814     -0.039388
     20.82697      1.69577      7.44762         0.010566      0.004374      0.131911
     20.70481      2.99000      7.97333        -0.029622      0.010835      0.086257
     20.13817      4.06458      7.23863         0.014091      0.131568     -0.011915
     20.23890      0.18126      5.38252        -0.169464      0.302800     -0.207793
     19.19695      1.91371      4.15360         0.322656     -0.378768      0.540317
     20.17230      5.49179      7.72309        -0.115104     -0.219091     -0.191366
     19.75273      6.52869      6.86016         0.024383      0.079416      0.102901
     20.06993      7.85167      7.14710         0.112779     -0.047648      0.348348
     -0.57857      5.87599      8.98635        -0.027986      0.066220     -0.012047
     -0.25006      7.20436      9.28124        -0.023001      0.141845     -0.117068
     20.77232      8.18154      8.30233        -0.121458     -0.057926     -0.025777
     -0.16112      9.62588      8.22958         0.780888      0.730473      0.916731
     19.79782      9.10173      6.38883        -0.716270      0.155792     -1.099674
     20.34601     11.57161      6.71710        -0.029554     -0.015672     -0.081904
     19.43095     12.00775      5.75005        -0.106521      0.015977     -0.047445
     19.20464     13.36186      5.54451        -0.017212      0.179078      0.053006
     21.11240     12.59488      7.31718        -0.151477      0.061854     -0.180280
     20.91985     13.96946      7.05106         0.005754      0.125178      0.038862
     19.87495     14.43756      6.16744        -0.003038     -0.348465     -0.096998
     19.38210     15.84681      5.91402         0.001000      0.220546     -0.016232
     18.60940     16.35317      4.80055         0.024455     -0.085526     -0.029768
     18.07479     17.65833      4.80052         0.114590     -0.209725     -0.028204
     19.57008     16.82517      6.91319        -0.113603      0.160734      0.085111
     18.99854     18.09647      6.93652         0.048188     -0.067136      0.210955
     18.17928     18.54131      5.89578         0.087356     -0.212761     -0.064649
     18.17810     15.53225      3.58136         0.142090      0.182972     -0.001674
      0.68921     14.87641      7.72695        -0.119829     -0.197301     -0.138516
     12.74711      5.21677      4.02112        -0.087079      0.016703     -0.087675
     13.30364      3.78965     20.51608         0.022226     -0.156009      0.070076
     13.01314      6.13915     21.04112         0.128455     -0.202787      0.129550
     12.93919      7.34657      4.40527        -0.070911     -0.012680     -0.037124
     13.21557      7.94519      0.11718         0.021071      0.126926      0.105297
     13.58924     10.31223      0.43201         0.039024      0.169422      0.099842
     13.37441     13.34916      8.76201        -0.036289     -0.113098      0.140094
     13.24091     11.51437      7.31953         0.033640     -0.258003     -0.036685
     14.33952     14.04286      4.03432         0.046423      0.020805     -0.128107
     12.86965     17.14238     11.48988        -0.133461      0.038486     -0.068718
     15.24412     17.20906      7.24974         0.078029     -0.117326      0.042973
     15.18715     19.17722      8.50266        -0.033857     -0.021842      0.160466
      9.63212      6.83743      3.10231         0.018554      0.044310      0.049325
     10.09463      3.55607      6.85157         0.069638     -0.100005     -0.007319
     10.24430      5.94017      7.32892         0.046678     -0.096139     -0.237399
      9.98231      8.95387      3.64136         0.116863     -0.079400     -0.020806
      9.95156      7.70520      7.80235         0.003157      0.151801     -0.097564
     10.04894     10.01577      8.52703         0.074063      0.130351     -0.039617
     12.03198     15.89880      2.33553        -0.009277      0.027441      0.132949
     11.42519     13.74017      2.86681        -0.090446     -0.097101      0.027976
     10.20652     15.04590      6.76257        -0.058299     -0.050762      0.119634
     13.41149     20.27839      1.22944         0.078611      0.066355     -0.239494
     11.60037     19.26441      5.59053        -0.033133     -0.027086     -0.087968
     12.00807      0.20531      5.09678         0.063852      0.052500     -0.114944
     10.43356      9.10973     17.47365        -0.024021      0.031074     -0.111340
     10.56533      7.73020     12.66301         0.028914     -0.109189      0.227508
     10.39837     10.07604     13.22525         0.128785     -0.162249      0.109471
     10.60148     11.37035     17.85133        -0.035574     -0.016125     -0.027469
     10.56800     11.84556     13.54298         0.007909      0.122372     -0.017895
     10.80232     14.22550     13.75140         0.005585      0.204830      0.104131
      9.35111     17.71460      0.30380        -0.131756      0.103122     -0.040186
      9.64336     15.82495     20.32198         0.173705      0.036106     -0.109906
     11.82506     18.08838     17.42291         0.112215      0.072479     -0.126093
      8.70897      0.10819      3.16062         0.024683     -0.139656     -0.001169
     11.01857      0.58078     20.16476         0.079675      0.061656     -0.102771
     10.67698      2.49003      0.21903        -0.017201      0.182852     -0.069682
      6.84705     10.62743     15.78215         0.141648      0.041699      0.071725
      7.59469      7.36035     19.49313         0.066562     -0.087891     -0.070161
      7.66967      9.73556     19.98336        -0.003342     -0.094236     -0.359983
      7.08996     12.82206     16.37346         0.053622     -0.006590      0.012164
      7.41198     11.45459     20.49284        -0.015454      0.227902     -0.144700
      7.43871     13.72708      0.01912        -0.009603      0.158898     -0.053321
      9.31377     19.88347     15.68875         0.049204     -0.019187      0.254911
      8.69264     17.68159     16.08192         0.043506     -0.064620     -0.040004
      6.40458     18.92497     19.47809         0.118380     -0.011520     -0.003656
     10.55716      2.96398     14.58031        -0.098591     -0.187558      0.134555
      8.17897      2.00203     18.71920         0.237695     -0.037742     -0.256377
      8.98938      4.16639     18.36224         0.023615      0.105719      0.152795
      6.79486     12.92706      8.88251         0.136566      0.016869     -0.060170
      7.20184     11.47406      4.11474        -0.100195     -0.163114      0.123285
      7.30939     13.82081      4.65530        -0.079600     -0.222162      0.191498
      7.02907     15.18348      9.25879         0.117748     -0.024648     -0.120696
      7.36769     15.63857      4.93174        -0.028831      0.054365      0.253880
      7.55867     18.03349      5.18934        -0.128099      0.031094      0.069958
      6.76715      0.32459     13.08282        -0.158492     -0.042410     -0.083468
      6.83852     19.65863     11.79750        -0.065860     -0.236394      0.028389
      8.72279      0.57145      8.64058        -0.013740      0.060778      0.068630
      6.20215      3.93360     15.83670         0.057041     -0.075832     -0.061658
      8.41222      4.32016     11.51163         0.017774      0.092051     -0.016925
      8.22021      6.23388     12.86165        -0.038421      0.239230     -0.031699
      3.89983     14.39805      8.73823         0.115707      0.042655     -0.031279
      4.87227     11.39735     12.60281        -0.057584     -0.096976     -0.140408
      4.83309     13.80461     12.93378         0.119762     -0.106321     -0.208809
      3.72962     16.47662      9.11675         0.071641     -0.075656     -0.168416
      5.19591     15.67517     13.14038        -0.036318      0.077938     -0.115440
      5.08290     18.05928     13.66276         0.021255      0.033589     -0.007576
      5.71282      2.37850      7.56485         0.123518     -0.063812      0.038293
      4.84923      0.32164      7.91260         0.087775     -0.160557      0.073633
      3.70160      1.52576     11.82866         0.098466     -0.030603      0.133436
      7.20135      6.46341      6.18652        -0.032123      0.117250     -0.149950
      5.80271      5.82534     10.80247         0.037125     -0.114415     -0.079311
      6.13336      7.97960     10.04945         0.043463      0.244262      0.209244
      2.01365     16.26716      3.34877         0.093180      0.157148      0.133476
     -0.08391     14.65826     20.36509        -0.001032      0.034376      0.236046
      0.14411     17.02488     20.74939        -0.067384     -0.017511      0.107247
      1.68797     18.71917      3.72122         0.120333     -0.135077      0.006984
      0.14914     18.74586     20.90099        -0.012634      0.074282      0.140059
     -0.17200     -0.12885     21.00769         0.064902      0.025538      0.121506
      2.63228      4.13979      6.85696         0.209085     -0.125306      0.137539
      2.35926      2.13676      5.79842         0.053473     -0.143825     -0.071008
      0.20778      4.12289      2.67696        -0.027274      0.071627     -0.096023
      3.17723      7.74771      9.52028         0.039794     -0.078771     -0.118235
      1.69746      8.19218      4.89225         0.042459      0.039773      0.062344
      2.45509     10.11829      6.03849         0.049704      0.184295     -0.010072
      3.66439     17.02914     20.48145        -0.050281     -0.006846      0.209343
      5.74524     13.89515      2.52101        -0.192342      0.091982     -0.256014
      5.73812     16.24459      2.97902        -0.121058     -0.034339     -0.189906
      3.64651     19.43946      0.00190         0.021924     -0.044196      0.045630
      5.72835     17.91774      3.50023        -0.078171      0.116167     -0.020350
      6.02833     20.13069      4.33849        -0.073702      0.192131     -0.053591
      2.30161      5.72427      0.03166        -0.066104     -0.096371     -0.014488
      2.59188      3.42426      0.25237         0.018426     -0.212460     -0.304498
      5.30012      4.07984      3.50242        -0.005262     -0.079326      0.084849
      0.61584     10.19882      0.65274        -0.216099     -0.121231     -0.085832
      4.78217      8.67298      2.62853        -0.079677      0.072429     -0.006924
      4.04134     10.85573      3.15049         0.075963      0.232392     -0.168572
     20.03065     19.48808     15.52920        -0.075108     -0.059799     -0.069239
     16.57514     17.92448     12.26478         0.011575     -0.148920      0.031045
     17.14586     20.28045     12.37511         0.003279     -0.189725      0.254535
     20.29768      0.32704     15.72141        -0.130952      0.078502     -0.031554
     17.07989      0.86199     12.84729         0.054543      0.103707      0.099324
     17.10996      3.27660     13.22751         0.000892      0.131079     -0.031987
      2.24307      6.69094     18.03265         0.049836      0.014647     -0.287803
      1.24100      4.78884     17.17067         0.015131     -0.395454      0.011063
     18.83068      6.92648     16.74325         0.097439      0.065300      0.023758
      4.56069     10.36798     19.80928         0.258954     -0.171346      0.128351
      0.01616     10.76613     18.15229        -0.277892     -0.011384     -0.073799
      1.01439     12.62035     19.12253        -0.100944      0.309512     -0.004813
      0.66882     21.21376     12.92831        -0.071534      0.076228      0.063116
      3.29084     18.04008     15.73799         0.016086     -0.246726      0.105119
      3.37835     20.41760     16.22406        -0.086641     -0.062986     -0.060748
      1.02086      2.03266     13.26528        -0.127767     -0.038827      0.068192
      3.16492      0.98196     16.89988        -0.023570      0.235715     -0.181469
      3.79159      3.31010     17.21784         0.120627      0.142786      0.017763
     19.94334      8.98103     13.79899        -0.050008     -0.027126      0.066308
     20.77435      6.87596     13.51025         0.213609     -0.045482      0.137820
      3.33762      8.26608     14.90193         0.177856     -0.096981      0.082922
     17.90789     13.07477     14.06636        -0.204715      0.099260     -0.094999
      1.30156     12.51091     15.33302         0.102265     -0.058698     -0.011347
      0.41284     14.63125     15.41711        -0.117192      0.046968      0.016058
     17.41130      2.40785      7.77104        -0.065067     -0.028431     -0.063987
     15.08657      1.03959      3.56121         0.176730     -0.047749      0.019765
     15.10377      3.38216      4.21143         0.132602     -0.162001      0.136313
     17.43260      4.71376      8.19210        -0.274085     -0.007818     -0.042361
     14.98101      5.09262      4.59929         0.199432      0.093973      0.168925
     15.10506      7.49303      4.74935         0.091932      0.080637      0.039211
     20.10000     10.92512     10.99645         0.005853      0.064091      0.074861
     19.15947      9.05862     10.02490        -0.124571     -0.194177      0.145545
     16.37401     11.55611      7.96040        -0.062955      0.036774     -0.172252
      1.41496     14.52849     12.40000         0.121993     -0.090597     -0.022553
     18.22118     15.07072     10.55244        -0.228513     -0.010523      0.044101
     19.30828     16.95544     11.38945         0.101231      0.072486      0.022560
     19.29204      4.54284      5.27345        -0.180295      0.031508     -0.003118
      0.10507      0.91767      8.00047        -0.202310      0.053516      0.004089
     -0.14134      3.17025      8.96856        -0.076840      0.002143     -0.098188
     19.21648      6.31727      5.94819        -0.091368     -0.070057     -0.176144
     -0.38432      5.12532      9.75323        -0.021789      0.047144     -0.034011
      0.19231      7.43793     10.25393        -0.010864      0.105760     -0.119809
     18.39021     13.57522      4.87292        -0.053306     -0.034368     -0.013856
     18.85357     11.31690      5.14802        -0.092843     -0.197292      0.131503
      0.64576     12.30583      7.98598         0.138851     -0.001645      0.192182
     17.48401     17.94915      3.94136        -0.046034      0.036616     -0.034810
     20.14141     16.58260      7.79643        -0.049934     -0.057394     -0.005608
     19.18920     18.72502      7.79917        -0.002630      0.069431      0.081980
     13.89364     19.26681     10.69948         0.035770     -0.219243      0.006006
     19.38619     21.17089      3.43186        -0.091531     -0.288169     -0.262792
     12.90364      1.22722      2.66692         0.028502     -0.074252     -0.013174
     13.64511     11.48333      4.58482         0.125849      0.319842     -0.206508
      9.59402      2.60006      2.75906        -0.096351     -0.359006     -0.060611
     10.43550     12.79937      5.26166        -0.111196      0.047037      0.146872
     10.24445      5.12443     16.04119         0.091197     -0.078076     -0.225269
     10.84096     15.59455     17.84104         0.063447      0.235492     -0.122400
      7.07454      6.39182     15.40560        -0.054771      0.061231     -0.226566
      7.24297     16.66989     18.16187        -0.032789      0.077581      0.052578
      6.77048      8.88399      7.54026         0.032241      0.016675     -0.015358
      7.52452     19.41323      9.19579         0.136594     -0.002075     -0.147591
      3.45368     10.20707      8.71794         0.044038     -0.028369      0.019479
      4.08123     20.53668     10.39476         0.007651     -0.112777     -0.015986
      1.77070     12.17208      1.89133        -0.021174     -0.328400      0.111594
      1.20275      1.65833      3.35432        -0.005999      0.424632      0.038325
      3.53616     12.77623     20.30125         0.180623     -0.026919      0.033747
      4.31010      1.99745      1.92527         0.117820      0.008198     -0.022266
     19.13947     15.43767     14.64860        -0.324251     -0.017702     -0.038011
     19.97468      4.53924     16.12470        -0.129831      0.183853      0.002843
      0.57177     17.00888     12.61180         0.170536     -0.275081      0.154033
      2.00101      5.96598     14.34200         0.228713     -0.010616      0.182454
     17.49743     19.80108      5.93078         0.057453     -0.068148      0.104344
     17.20874      8.93504      8.15108        -0.127226      0.237561      0.194265
     19.55832      0.54744      4.19626         0.058307      0.488353      0.412655
     20.45956     10.17760      7.05934         0.206799     -0.096165      0.262718
     12.41955      2.37356      4.69092         0.160521     -0.090571     -0.101904
     13.70199      0.96521      0.44394         0.109507     -0.259387     -0.288310
     13.21143      9.71057      6.08438         0.005640     -0.225779      0.462499
     13.99603     12.57236      2.48915         0.107457      0.459172     -0.229058
      9.49780      4.43566      1.26910         0.041829     -0.155587      0.182261
      9.44323      1.45216      4.83732         0.039414     -0.483538      0.063838
     10.22167     11.81146      3.11991        -0.002765      0.009289      0.217409
     10.18629     12.96404      7.62372         0.005908      0.253654      0.179474
     10.18605      6.21562     18.12724        -0.025614     -0.127435      1.258443
     10.85433      4.89147     13.72455        -0.104995     -0.026982      0.317162
     10.72751     13.87295     19.45032        -0.014373     -0.164221      0.466966
     11.06927     16.61445     15.71147         0.030689      0.439151     -0.198436
      6.92392      8.22065     13.90369        -0.008724     -0.084435      0.114538
      6.87310      5.27076     17.49092         0.005667     -0.484055      0.174916
      7.14058     15.78913     15.96956        -0.031402      0.020540     -0.048342
      7.10399     16.70318     20.53400        -0.035368     -0.030024     -0.293028
      6.91501     10.03853      9.60825        -0.001038     -0.031831      0.216871
      7.06419      8.60750      5.21186         0.006882     -0.167175     -0.214992
      7.58209     17.70260     10.82760         0.018631     -0.224097      0.556956
      7.48842     20.42647      7.06322        -0.037224      0.112673     -0.129008
      3.25023     11.96993      7.16938        -0.068204      0.109448     -0.448509
      3.84556      9.15484     10.84057         0.024388     -0.062796     -0.041517
      3.77928     19.43892      8.30709         0.181583      0.010864      1.249975
      4.32514     20.77555     12.72766        -0.082057     -0.155386     -0.179940
      2.87164     13.22950      3.70855         0.583071     -0.199394      0.682315
      0.00063     11.99382      0.27279         0.329820      0.229583      0.221724
      2.34450      0.17904      4.82120         0.139666     -0.031248      0.309152
      0.05658      2.38430      1.41066         0.009923      0.105400     -0.176368
      2.92871     14.53064     18.87612        -0.385459      0.359279     -0.594765
      4.91962     11.65774      0.62287        -0.046055      0.043862     -0.130766
      3.19395      1.20320     -0.02154        -0.071626      0.041148     -0.122382
      5.80704      1.87152      3.76930         0.126463      0.153927      0.211261
     -0.62698     16.63406     16.04503         0.149116     -0.064033      0.119668
     17.13178     15.09811     13.41262        -0.102610     -0.252452     -0.129575
     -0.08597      2.80606     17.18530        -0.114077     -0.008817     -0.126305
     18.35393      5.59562     14.75674        -0.129247      0.344847     -0.103456
     21.01420     18.81624     11.36350        -0.558964      0.385560     -0.596515
      2.03261     15.84799     14.10888        -0.028254     -0.286000     -0.084652
      0.45912      4.90899     12.88880         1.031636     -0.134191      1.068602
      3.88527      6.12963     15.78874         0.617593      0.806054      0.455686
     18.23575     20.73354      7.99659         0.156059     -0.087913      0.267454
     16.10679     19.57058      4.02492        -0.041308     -0.094962     -0.212312
     17.88092      7.25641      9.68437         0.191272     -0.185509      0.606695
     16.26063      9.90726      6.21365        -0.067726      0.092302      0.044235
     18.59567      2.46406      3.25230        -0.167683      0.175946     -0.266098
     20.66280     20.32203      5.62696         0.109532     -0.066249      0.026688
     19.10007      9.20907      5.37519         0.536442     -0.076401      0.793909
      0.55057     10.25114      9.02346        -0.811153     -0.653991     -1.046920
     14.02874     17.37494      5.47425         0.150573     -0.076497      0.036396
     15.99604     16.41547      5.72342         0.117543     -0.001805     -0.040681
     14.83092     16.10191      3.92091        -0.105558     -0.085333     -0.143092
     11.81900     15.29644     11.48794         0.013852     -0.077548     -0.087594
     11.43458     14.45432      9.51690        -0.067483     -0.014091     -0.057843
     13.20654     13.82886     10.66597        -0.017344     -0.038279      0.183624
     11.96243     17.97488      7.14220         0.071264      0.115429      0.003531
      9.97188     18.56759      6.42621        -0.065160      0.075097     -0.066386
     10.21054     16.85594      7.73244         0.008835     -0.034960      0.025460
     13.42338     18.52943      0.16065         0.120245      0.130647     -0.097715
     14.22144     17.10157      1.58249         0.069898     -0.214648      0.142437
     12.17527     16.90272      0.81016         0.026035      0.103627     -0.011846
     11.20373      0.23462     18.31342         0.084006     -0.059741      0.017714
     13.04651     -0.56464     19.22395        -0.119538      0.021220      0.181871
     12.39459     20.04919     17.25460         0.201710     -0.132872     -0.187530
      8.32407     19.30995      3.32658         0.040284      0.038696     -0.015338
      7.67936     18.68797      1.33668        -0.165004     -0.146290     -0.231554
      9.57006     17.96779      2.19105        -0.043909      0.195833      0.048945
      7.57102      0.87643     20.22641         0.221382      0.063371      0.015972
      5.89352      1.04740     18.81827         0.093087      0.140829     -0.142116
      5.94879     20.72217     20.30539         0.015835      0.062213     -0.136090
     10.38022      1.26257     13.40693         0.067165      0.182459     -0.035398
     11.29396     -0.12026     14.82327        -0.123317      0.061276      0.179126
      9.29721     20.76677     14.00978         0.044973      0.399802      0.247104
      8.78972      3.91221      9.55139        -0.015056     -0.037239      0.047951
     10.34463      2.98792     10.79692        -0.009939      0.092405      0.248902
      9.99472      2.27845      8.77338        -0.108943     -0.028387      0.154264
      6.05204      1.91905     16.19523         0.150382      0.128745      0.206121
      5.09329      1.23302     14.40285         0.152030     -0.003476     -0.224894
      7.09120      0.52903     14.90989        -0.109395     -0.026919      0.035745
      4.65587      5.09459     12.07350        -0.075830      0.020929     -0.090377
      2.82708      3.94057     11.71230         0.079799      0.070800     -0.123524
      4.38618      3.19050     13.03158        -0.009093      0.107078     -0.061585
      7.28317      4.48266      5.39763        -0.024597      0.129801      0.022462
      7.51966      2.95052      6.91197        -0.014638     -0.035980     -0.008243
      5.51319      3.46933      6.10154         0.171094      0.054046      0.006218
     -0.59405      7.25217      4.54368        -0.013272      0.076159      0.308483
      0.85048      7.30252      2.96816        -0.033722     -0.095193      0.233995
     -0.90802      5.95972      2.85253         0.031017     -0.004532      0.112501
      3.15604      5.76823      9.90517        -0.344262     -0.007046     -0.273298
      1.72876      4.56232      8.80525        -0.162937     -0.088955     -0.018143
      3.76905      4.74904      8.08153        -0.119858      0.164346      0.062423
      6.16570      6.90897      3.57210         0.058627      0.044456     -0.121311
      4.22332      7.57967      4.39849         0.106929     -0.079404     -0.081596
      5.02894      5.68589      4.99082        -0.137518      0.001331     -0.022356
     -0.15149      8.54251     20.89870         0.330428      0.021949      0.145118
      1.48217      7.18048     -0.89470        -0.028279     -0.105318     -0.285778
      0.09953      6.70207      0.69869         0.379030     -0.097597      0.150053
     19.44324      9.44917     19.18438         0.085759      0.161592     -0.144921
     19.64084     10.29427     17.15555        -0.134027     -0.082197     -0.001892
     18.18044      8.73012     17.58197        -0.154224      0.019312     -0.146118
      4.84477      8.26637     20.01029         0.242760      0.231978      0.158937
      3.69156      6.83935     18.95413         0.050515     -0.222087      0.051830
      4.73885      8.36570     17.80784         0.104726     -0.132383     -0.247581
      3.24052     11.56342     14.21331        -0.080206      0.099294      0.167707
      2.62128     11.47663     16.31833        -0.011409     -0.090525     -0.070143
      4.06292     10.05873     15.55882        -0.077480      0.123856     -0.105179
     17.27731     11.25713     13.33900        -0.105103      0.096332      0.090355
     18.78902      9.87911     12.67473        -0.098897      0.105496     -0.018407
     18.05869      9.78565     14.74078         0.027709     -0.094319      0.130150
     16.22685     14.18158      9.85726        -0.018009      0.138441      0.105124
     17.83962     14.91668      8.55127         0.113515      0.003452     -0.097969
     16.29905     13.65655      7.73475         0.026629     -0.016267     -0.204990
      1.82388     12.55823     12.31256        -0.075430      0.071024     -0.133004
      0.38949     11.07767     11.76752         0.240328      0.338312     -0.122438
      1.41179     12.25227     10.19635        -0.063527     -0.056320      0.069145
      1.28150     15.73670      6.84666        -0.121660      0.128606     -0.114418
      0.19644     15.64340      8.76011         0.034493     -0.033357      0.019482
      1.69814     14.17392      8.30510         0.038984     -0.032807     -0.176572
     17.68748     16.29336      2.56141         0.206165      0.091368      0.038058
     19.19858     14.79223      3.04794         0.100644      0.045615     -0.040733
     17.16017     14.64500      3.86784         0.068318      0.040688     -0.065414
 -----------------------------------------------------------------------------------
    total drift:                                0.026152     -0.002628     -0.004677


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4574.6380019609 eV

  energy  without entropy=    -4574.7899487397  energy(sigma->0) =    -4574.68865089
 
 d Force = 0.1182888E+00[ 0.443E-02, 0.232E+00]  d Energy = 0.1180103E+00 0.279E-03
 d Force = 0.5078984E+03[ 0.507E+03, 0.509E+03]  d Ewald  = 0.5078979E+03 0.516E-03


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   72(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3160
 total energy-change (2. order) : 0.3168745E+00  (-0.4256182E+02)
 number of electron    2497.9999977 magnetization 
 augmentation part      162.6612771 magnetization 

  free energy =  -0.457432111932E+04  energy without entropy=  -0.457447353345E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   72(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3512
 total energy-change (2. order) :-0.8971003E+00  (-0.1079023E+01)
 number of electron    2497.9999976 magnetization 
 augmentation part      162.6946715 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8643
  0.8643

  free energy =  -0.457521821961E+04  energy without entropy=  -0.457536980895E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   72(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3704
 total energy-change (2. order) : 0.3076813E-01  (-0.2085815E-01)
 number of electron    2497.9999976 magnetization 
 augmentation part      162.6603730 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4318
  1.0809  1.7828

  free energy =  -0.457518745148E+04  energy without entropy=  -0.457534011767E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   72(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) :-0.5720255E-02  (-0.1892887E-01)
 number of electron    2497.9999976 magnetization 
 augmentation part      162.6309085 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2813
  2.1982  0.8459  0.8000

  free energy =  -0.457519317173E+04  energy without entropy=  -0.457534439623E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   72(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3632
 total energy-change (2. order) :-0.6120466E-03  (-0.3785145E-02)
 number of electron    2497.9999976 magnetization 
 augmentation part      162.6384485 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3198
  2.3829  0.9998  0.9998  0.8969

  free energy =  -0.457519378378E+04  energy without entropy=  -0.457534613090E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   72(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3520
 total energy-change (2. order) : 0.1722297E-02  (-0.2081916E-02)
 number of electron    2497.9999976 magnetization 
 augmentation part      162.6428610 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2373
  2.3959  1.0567  1.0567  0.8386  0.8386

  free energy =  -0.457519206148E+04  energy without entropy=  -0.457534359936E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   72(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3520
 total energy-change (2. order) :-0.6939340E-04  (-0.4195758E-03)
 number of electron    2497.9999976 magnetization 
 augmentation part      162.6438178 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2244
  2.3788  0.9639  0.9639  1.2876  1.1293  0.6232

  free energy =  -0.457519213088E+04  energy without entropy=  -0.457534452477E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   72(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) : 0.1146060E-03  (-0.5795690E-04)
 number of electron    2497.9999976 magnetization 
 augmentation part      162.6465543 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2274
  2.4619  1.0594  1.0594  1.4219  1.1542  0.8544  0.5807

  free energy =  -0.457519201627E+04  energy without entropy=  -0.457534410717E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   72(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3640
 total energy-change (2. order) :-0.9912474E-05  (-0.4317183E-04)
 number of electron    2497.9999976 magnetization 
 augmentation part      162.6455046 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2264
  2.5108  1.5745  1.0434  1.0434  1.1237  0.9662  0.9662  0.5834

  free energy =  -0.457519202618E+04  energy without entropy=  -0.457534412204E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   72(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3184
 total energy-change (2. order) :-0.6134360E-05  (-0.6095895E-05)
 number of electron    2497.9999976 magnetization 
 augmentation part      162.6455046 magnetization 

  free energy =  -0.457519203232E+04  energy without entropy=  -0.457534415727E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0552       2 -56.1093       3 -56.0076       4 -55.8376       5 -55.8258
       6 -56.2820       7 -58.1638       8 -58.2367       9 -56.2470      10 -55.9159
      11 -56.0071      12 -55.7822      13 -55.7936      14 -55.9856      15 -58.1136
      16 -58.0611      17 -56.3512      18 -54.9700      19 -54.8513      20 -55.0859
      21 -55.6426      22 -55.5781      23 -55.6002      24 -55.6039      25 -55.0124
      26 -54.7259      27 -54.9172      28 -54.9583      29 -60.3918      30 -60.3617
      31 -55.6491      32 -55.7769      33 -55.6932      34 -55.3688      35 -55.4942
      36 -55.9832      37 -57.8066      38 -57.9610      39 -56.0729      40 -55.7724
      41 -55.8980      42 -55.6694      43 -55.7231      44 -55.9006      45 -58.1078
      46 -58.1079      47 -56.4483      48 -55.1130      49 -54.9234      50 -55.2699
      51 -55.8723      52 -55.8257      53 -55.7478      54 -55.7409      55 -55.0647
      56 -54.8507      57 -54.9899      58 -56.3723      59 -60.3611      60 -60.6022
      61 -55.9591      62 -55.9975      63 -55.8990      64 -55.7790      65 -55.7489
      66 -56.2197      67 -58.1318      68 -58.1280      69 -56.1863      70 -55.8617
      71 -55.9741      72 -55.6688      73 -55.6797      74 -55.9320      75 -58.0761
      76 -58.0788      77 -56.3574      78 -55.0752      79 -54.8978      80 -55.2018
      81 -55.8262      82 -55.8129      83 -55.8573      84 -55.9041      85 -55.2641
      86 -54.9918      87 -55.1834      88 -56.3989      89 -60.6574      90 -60.4078
      91 -55.7287      92 -55.8457      93 -55.7600      94 -55.5122      95 -55.5895
      96 -56.0978      97 -57.9160      98 -58.0123      99 -56.1956     100 -55.8894
     101 -56.0324     102 -55.7075     103 -55.7701     104 -55.9902     105 -58.1583
     106 -58.1722     107 -56.4385     108 -55.1553     109 -54.9704     110 -55.3904
     111 -55.9282     112 -55.8691     113 -55.7816     114 -55.8258     115 -55.0829
     116 -54.9171     117 -55.0262     118 -56.3378     119 -60.4569     120 -60.6110
     121 -55.9762     122 -55.9886     123 -55.8616     124 -55.7884     125 -55.7809
     126 -56.2045     127 -58.0829     128 -58.1710     129 -56.1621     130 -55.7937
     131 -55.8950     132 -55.7023     133 -55.6147     134 -55.8201     135 -57.9079
     136 -58.0294     137 -56.3696     138 -55.0334     139 -54.8830     140 -55.3030
     141 -55.8880     142 -55.8074     143 -55.8735     144 -55.8744     145 -55.1958
     146 -55.0678     147 -55.2194     148 -56.3950     149 -60.4909     150 -60.5587
     151 -55.6612     152 -55.7011     153 -55.5349     154 -55.4180     155 -55.4537
     156 -55.9118     157 -57.9601     158 -57.8803     159 -56.0055     160 -55.7348
     161 -55.8914     162 -55.5350     163 -55.5724     164 -55.7854     165 -57.9565
     166 -58.0738     167 -56.3826     168 -55.0218     169 -54.7915     170 -55.2232
     171 -55.8504     172 -55.8653     173 -55.8384     174 -55.7782     175 -55.3006
     176 -54.9153     177 -55.0553     178 -56.4829     179 -60.4509     180 -60.5795
     181 -55.8865     182 -56.0752     183 -55.9380     184 -55.6661     185 -55.6808
     186 -56.2484     187 -58.0336     188 -58.2460     189 -56.2714     190 -55.8652
     191 -56.0214     192 -55.7551     193 -55.7359     194 -55.9562     195 -58.0668
     196 -58.1774     197 -56.5130     198 -55.0874     199 -54.9205     200 -55.2945
     201 -55.8666     202 -55.8757     203 -55.9130     204 -55.9012     205 -55.1413
     206 -55.2092     207 -55.2062     208 -56.4729     209 -60.7164     210 -60.4526
     211 -55.9974     212 -56.0559     213 -55.9598     214 -55.8121     215 -55.7636
     216 -56.2965     217 -58.1555     218 -58.1555     219 -56.1572     220 -55.8276
     221 -55.9355     222 -55.5761     223 -55.5110     224 -55.8431     225 -57.9838
     226 -58.1136     227 -56.5168     228 -55.0578     229 -54.9494     230 -55.2628
     231 -55.7748     232 -55.8035     233 -55.7778     234 -55.7412     235 -54.9970
     236 -55.0946     237 -55.2226     238 -56.4660     239 -60.3340     240 -60.4122
     241 -55.9759     242 -56.0062     243 -55.8893     244 -55.7567     245 -55.7519
     246 -56.1849     247 -58.1113     248 -58.1288     249 -56.1713     250 -55.8575
     251 -55.9674     252 -55.7305     253 -55.7295     254 -55.9150     255 -58.0186
     256 -58.0293     257 -56.3313     258 -55.0307     259 -54.8154     260 -55.2276
     261 -55.7933     262 -55.7958     263 -55.8853     264 -55.9306     265 -55.3039
     266 -54.9647     267 -55.1738     268 -56.3778     269 -60.6171     270 -60.3631
     271 -55.8650     272 -55.9371     273 -55.7851     274 -55.6648     275 -55.6162
     276 -56.0567     277 -58.1063     278 -58.0981     279 -55.9402     280 -55.6420
     281 -55.7586     282 -55.5188     283 -55.5259     284 -55.8033     285 -58.0728
     286 -57.9508     287 -56.3964     288 -55.0399     289 -54.8632     290 -55.2162
     291 -55.8433     292 -55.7852     293 -55.8235     294 -55.8436     295 -55.2144
     296 -54.9373     297 -55.0378     298 -56.4247     299 -60.4946     300 -60.5575
     301 -55.8933     302 -56.0257     303 -55.9292     304 -55.6422     305 -55.6810
     306 -56.1857     307 -58.0743     308 -58.2442     309 -56.2060     310 -55.8780
     311 -55.9705     312 -55.7017     313 -55.6653     314 -55.8799     315 -57.9741
     316 -58.0797     317 -56.3666     318 -54.9801     319 -54.7793     320 -55.2504
     321 -55.7682     322 -55.7132     323 -55.8462     324 -55.8994     325 -55.2217
     326 -55.0524     327 -55.2209     328 -56.4217     329 -60.5717     330 -60.4269
     331 -55.7596     332 -55.7941     333 -55.6598     334 -55.5986     335 -55.5745
     336 -56.0156     337 -57.9674     338 -57.9420     339 -55.9357     340 -55.6208
     341 -55.7741     342 -55.5196     343 -55.5468     344 -55.7862     345 -57.9586
     346 -57.9555     347 -56.4824     348 -55.0073     349 -54.9377     350 -55.2902
     351 -55.8326     352 -55.7785     353 -55.7485     354 -55.7593     355 -55.1996
     356 -54.9104     357 -55.0006     358 -56.4231     359 -60.4641     360 -60.5547
     361 -39.0755     362 -38.8115     363 -38.9102     364 -39.0201     365 -38.9127
     366 -38.7485     367 -38.1344     368 -38.1532     369 -38.0669     370 -38.0999
     371 -38.1523     372 -38.1658     373 -38.7081     374 -38.3088     375 -38.6415
     376 -38.8067     377 -38.8120     378 -38.7405     379 -38.1349     380 -38.1509
     381 -38.2683     382 -38.0662     383 -38.2464     384 -37.9925     385 -38.8653
     386 -38.7735     387 -38.8450     388 -38.8628     389 -38.8396     390 -38.5695
     391 -38.2541     392 -38.2425     393 -38.2039     394 -38.1879     395 -38.2178
     396 -38.3576     397 -38.7243     398 -38.4531     399 -38.7212     400 -38.8766
     401 -38.7810     402 -38.7790     403 -38.1929     404 -38.2145     405 -38.4456
     406 -38.0564     407 -38.0501     408 -37.9794     409 -38.7646     410 -38.7722
     411 -38.9307     412 -38.7140     413 -38.8881     414 -38.6243     415 -38.2284
     416 -38.3181     417 -38.2054     418 -38.1535     419 -38.2481     420 -38.3896
     421 -38.5957     422 -38.3382     423 -38.5351     424 -38.7558     425 -38.5814
     426 -38.5964     427 -38.2524     428 -38.1028     429 -38.3380     430 -38.2639
     431 -38.0747     432 -38.0757     433 -38.8069     434 -38.6414     435 -38.9209
     436 -38.7567     437 -38.9283     438 -38.6944     439 -38.4333     440 -38.1341
     441 -38.1670     442 -38.1570     443 -38.2452     444 -38.1787     445 -38.8475
     446 -38.8164     447 -38.9078     448 -38.7303     449 -38.7738     450 -38.3812
     451 -38.0912     452 -38.0038     453 -38.1359     454 -37.9762     455 -38.1236
     456 -38.2443     457 -38.8992     458 -38.6960     459 -38.8312     460 -38.8722
     461 -38.8741     462 -38.7206     463 -38.1886     464 -38.3554     465 -38.1446
     466 -38.4751     467 -38.1834     468 -38.2881     469 -38.8674     470 -38.7249
     471 -38.7027     472 -38.7726     473 -38.5412     474 -38.4906     475 -38.2555
     476 -38.0758     477 -38.2178     478 -38.1789     479 -38.1817     480 -38.0037
     481 -38.8787     482 -38.7404     483 -38.8775     484 -38.8466     485 -38.8952
     486 -38.7454     487 -38.1311     488 -38.2173     489 -38.2750     490 -38.2934
     491 -38.2717     492 -38.3640     493 -38.8298     494 -38.4980     495 -38.6405
     496 -38.8002     497 -38.5564     498 -38.4922     499 -38.1940     500 -37.9858
     501 -38.2400     502 -38.1557     503 -38.1134     504 -38.0079     505 -38.1989
     506 -41.1308     507 -71.6988     508 -71.5638     509 -71.3860     510 -71.5731
     511 -71.5209     512 -71.5184     513 -71.3954     514 -71.5491     515 -71.5997
     516 -71.4509     517 -71.3913     518 -71.4990     519 -71.5996     520 -71.6234
     521 -71.5584     522 -71.4762     523 -71.5726     524 -71.4779     525 -71.5509
     526 -71.4584     527 -71.6371     528 -71.5196     529 -71.2073     530 -71.5566
     531 -76.8943     532 -76.8334     533 -76.6907     534 -76.8054     535 -76.5958
     536 -76.4735     537 -76.7665     538 -76.8192     539 -76.8086     540 -76.8778
     541 -76.7203     542 -76.7478     543 -76.6707     544 -76.6369     545 -76.8373
     546 -76.8554     547 -76.8144     548 -76.7422     549 -76.6748     550 -76.5473
     551 -76.5353     552 -76.6673     553 -76.7189     554 -76.6613     555 -76.8503
     556 -76.7337     557 -76.8112     558 -76.7274     559 -76.7994     560 -76.8644
     561 -76.7346     562 -76.6254     563 -76.7617     564 -76.7944     565 -76.6568
     566 -76.6916     567 -76.7509     568 -76.8227     569 -76.6093     570 -76.7710
     571 -76.9102     572 -76.7690     573 -76.7401     574 -76.6216     575 -76.5678
     576 -76.6083     577 -76.5635     578 -76.5228     579 -82.2695     580 -82.3395
     581 -82.3082     582 -82.3337     583 -82.2992     584 -82.3010     585 -82.4949
     586 -82.5324     587 -82.5202     588 -82.1865     589 -82.1627     590 -82.3435
     591 -82.3279     592 -82.2007     593 -82.3354     594 -82.5794     595 -82.6039
     596 -82.5562     597 -82.5739     598 -82.4535     599 -82.5176     600 -82.3259
     601 -82.1904     602 -82.3128     603 -82.4898     604 -82.4023     605 -82.4635
     606 -82.3114     607 -82.2615     608 -82.5278     609 -82.6691     610 -82.3250
     611 -82.4264     612 -82.4064     613 -82.3350     614 -82.2603     615 -82.5245
     616 -82.4146     617 -82.3343     618 -82.6192     619 -82.8135     620 -82.6153
     621 -82.2452     622 -82.4354     623 -82.3056     624 -82.1684     625 -82.4050
     626 -82.1199     627 -82.1308     628 -82.2741     629 -82.3097     630 -82.3848
     631 -82.7079     632 -82.4340     633 -82.4559     634 -82.5138     635 -82.4517
     636 -82.3456     637 -82.4480     638 -82.2964     639 -82.2924     640 -82.3973
     641 -82.3915     642 -82.3443     643 -82.5293     644 -82.4544     645 -82.4505
     646 -82.4388     647 -82.5499     648 -82.3563     649 -82.3785     650 -82.2880
 
 
 
 E-fermi :  -1.4699     XC(G=0):  -6.5197     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.1039      2.00000
      2     -28.9216      2.00000
      3     -28.9063      2.00000
      4     -28.8877      2.00000
      5     -28.8849      2.00000
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     10     -28.8001      2.00000
     11     -28.7938      2.00000
     12     -28.7340      2.00000
     13     -28.7296      2.00000
     14     -28.7274      2.00000
     15     -28.7220      2.00000
     16     -28.7089      2.00000
     17     -28.6469      2.00000
     18     -28.6439      2.00000
     19     -28.6323      2.00000
     20     -28.6172      2.00000
     21     -28.6091      2.00000
     22     -28.6026      2.00000
     23     -28.5804      2.00000
     24     -28.5305      2.00000
     25     -26.8132      2.00000
     26     -26.7199      2.00000
     27     -26.6700      2.00000
     28     -26.6681      2.00000
     29     -26.6312      2.00000
     30     -26.6299      2.00000
     31     -26.5852      2.00000
     32     -26.5778      2.00000
     33     -26.5577      2.00000
     34     -26.5427      2.00000
     35     -26.5426      2.00000
     36     -26.5392      2.00000
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     38     -26.5320      2.00000
     39     -26.5032      2.00000
     40     -26.4941      2.00000
     41     -26.4711      2.00000
     42     -26.4709      2.00000
     43     -26.4603      2.00000
     44     -26.4600      2.00000
     45     -26.4570      2.00000
     46     -26.4528      2.00000
     47     -26.4353      2.00000
     48     -26.4296      2.00000
     49     -26.4268      2.00000
     50     -26.4166      2.00000
     51     -26.4100      2.00000
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     59     -26.3595      2.00000
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     64     -26.3080      2.00000
     65     -26.3023      2.00000
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     67     -26.2889      2.00000
     68     -26.2844      2.00000
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     70     -26.2168      2.00000
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     72     -26.1113      2.00000
     73     -23.2567      2.00000
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     76     -23.1986      2.00000
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     78     -23.1657      2.00000
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     92     -22.9568      2.00000
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   1124      -3.2821      2.00000
   1125      -3.2643      2.00000
   1126      -3.2444      2.00000
   1127      -3.2378      2.00000
   1128      -3.2127      2.00000
   1129      -3.1953      2.00000
   1130      -3.1627      2.00000
   1131      -3.1466      2.00000
   1132      -3.1363      2.00000
   1133      -3.1284      2.00000
   1134      -3.1045      2.00000
   1135      -3.0940      2.00000
   1136      -3.0836      2.00000
   1137      -3.0750      2.00000
   1138      -3.0447      2.00000
   1139      -3.0419      2.00000
   1140      -3.0345      2.00000
   1141      -3.0280      2.00000
   1142      -3.0216      2.00000
   1143      -3.0186      2.00000
   1144      -3.0122      2.00000
   1145      -3.0017      2.00000
   1146      -2.9994      2.00000
   1147      -2.9924      2.00000
   1148      -2.9822      2.00000
   1149      -2.9794      2.00000
   1150      -2.9700      2.00000
   1151      -2.9606      2.00000
   1152      -2.9546      2.00000
   1153      -2.9518      2.00000
   1154      -2.9496      2.00000
   1155      -2.9435      2.00000
   1156      -2.9364      2.00000
   1157      -2.9250      2.00000
   1158      -2.9207      2.00000
   1159      -2.9108      2.00000
   1160      -2.9064      2.00000
   1161      -2.8892      2.00000
   1162      -2.8851      2.00000
   1163      -2.8844      2.00000
   1164      -2.8696      2.00000
   1165      -2.8540      2.00000
   1166      -2.8518      2.00000
   1167      -2.8302      2.00000
   1168      -2.8086      2.00000
   1169      -2.7869      2.00000
   1170      -2.7840      2.00000
   1171      -2.7686      2.00000
   1172      -2.7567      2.00000
   1173      -2.7209      2.00000
   1174      -2.7081      2.00000
   1175      -2.6930      2.00000
   1176      -2.6811      2.00000
   1177      -2.6488      2.00000
   1178      -2.6428      2.00000
   1179      -2.6352      2.00000
   1180      -2.6298      2.00000
   1181      -2.6233      2.00000
   1182      -2.6162      2.00000
   1183      -2.6024      2.00000
   1184      -2.5977      2.00000
   1185      -2.5951      2.00000
   1186      -2.5922      2.00000
   1187      -2.5772      2.00000
   1188      -2.5666      2.00000
   1189      -2.5619      2.00000
   1190      -2.5503      2.00000
   1191      -2.5487      2.00000
   1192      -2.5338      2.00000
   1193      -2.5214      2.00000
   1194      -2.5139      2.00000
   1195      -2.5120      2.00000
   1196      -2.5005      2.00000
   1197      -2.4924      2.00000
   1198      -2.4893      2.00000
   1199      -2.4805      2.00000
   1200      -2.4724      2.00000
   1201      -2.4651      2.00000
   1202      -2.4592      2.00000
   1203      -2.4543      2.00000
   1204      -2.4499      2.00000
   1205      -2.4435      2.00000
   1206      -2.4373      2.00000
   1207      -2.4336      2.00000
   1208      -2.4262      2.00000
   1209      -2.4254      2.00000
   1210      -2.4167      2.00000
   1211      -2.4082      2.00000
   1212      -2.4049      2.00000
   1213      -2.3995      2.00000
   1214      -2.3949      2.00000
   1215      -2.3903      2.00000
   1216      -2.3858      2.00000
   1217      -2.3798      2.00000
   1218      -2.3789      2.00000
   1219      -2.3743      2.00000
   1220      -2.3656      2.00000
   1221      -2.3620      2.00000
   1222      -2.3549      2.00000
   1223      -2.3472      2.00000
   1224      -2.3347      2.00000
   1225      -2.3288      2.00000
   1226      -2.3234      2.00000
   1227      -2.3160      2.00000
   1228      -2.3089      2.00000
   1229      -2.2950      2.00000
   1230      -2.2864      2.00000
   1231      -2.2726      2.00000
   1232      -2.2669      2.00000
   1233      -2.2448      2.00000
   1234      -2.2427      2.00000
   1235      -2.2368      2.00000
   1236      -2.2293      2.00000
   1237      -2.2006      2.00000
   1238      -1.8017      2.04075
   1239      -1.7353      2.06813
   1240      -1.7148      2.07092
   1241      -1.7137      2.07091
   1242      -1.7014      2.06939
   1243      -1.6737      2.05401
   1244      -1.6473      2.01813
   1245      -1.6332      1.98839
   1246      -1.6220      1.95849
   1247      -1.6177      1.94536
   1248      -1.5996      1.88113
   1249      -1.5887      1.83439
   1250       0.1315     -0.00000
   1251       0.1802     -0.00000
   1252       0.1809     -0.00000
   1253       0.2391     -0.00000
   1254       0.2474     -0.00000
   1255       0.2567     -0.00000
   1256       0.2588     -0.00000
   1257       0.3192     -0.00000
   1258       0.3381     -0.00000
   1259       0.3429     -0.00000
   1260       0.3471     -0.00000
   1261       0.4480     -0.00000
   1262       0.6202     -0.00000
   1263       0.6408     -0.00000
   1264       0.6729     -0.00000
   1265       0.6920     -0.00000
   1266       0.7179     -0.00000
   1267       0.7334     -0.00000
   1268       0.7705     -0.00000
   1269       0.7771     -0.00000
   1270       0.8092     -0.00000
   1271       0.8177     -0.00000
   1272       0.8182     -0.00000
   1273       0.8751     -0.00000
   1274       0.8830     -0.00000
   1275       0.9127     -0.00000
   1276       0.9182     -0.00000
   1277       0.9268     -0.00000
   1278       0.9496     -0.00000
   1279       0.9751     -0.00000
   1280       1.0041     -0.00000
   1281       1.0112     -0.00000
   1282       1.0589     -0.00000
   1283       1.1126     -0.00000
   1284       1.1230     -0.00000
   1285       1.1782     -0.00000
   1286       1.2294     -0.00000
   1287       1.2497     -0.00000
   1288       1.3130     -0.00000
   1289       1.3592     -0.00000
   1290       1.3915     -0.00000
   1291       1.4565     -0.00000
   1292       1.5128     -0.00000
   1293       1.5232     -0.00000
   1294       1.5657     -0.00000
   1295       1.5890     -0.00000
   1296       1.6269     -0.00000
   1297       1.6617     -0.00000
   1298       1.8072     -0.00000
   1299       1.8515     -0.00000
   1300       1.8643     -0.00000
   1301       1.8985     -0.00000
   1302       1.9090     -0.00000
   1303       1.9267     -0.00000
   1304       1.9882     -0.00000
   1305       1.9966     -0.00000
   1306       2.0313     -0.00000
   1307       2.0578     -0.00000
   1308       2.0701     -0.00000
   1309       2.0910     -0.00000
   1310       2.1095     -0.00000
   1311       2.1451     -0.00000
   1312       2.1508     -0.00000
   1313       2.1655     -0.00000
   1314       2.1796     -0.00000
   1315       2.2012     -0.00000
   1316       2.2187     -0.00000
   1317       2.2286     -0.00000
   1318       2.2346     -0.00000
   1319       2.2444     -0.00000
   1320       2.2814     -0.00000
   1321       2.3476     -0.00000
   1322       2.4308     -0.00000
   1323       2.4448     -0.00000
   1324       2.4525     -0.00000
   1325       2.4763     -0.00000
   1326       2.4983     -0.00000
   1327       2.5226     -0.00000
   1328       2.5350     -0.00000
   1329       2.5450     -0.00000
   1330       2.5518     -0.00000
   1331       2.5541     -0.00000
   1332       2.5701     -0.00000
   1333       2.5937     -0.00000
   1334       2.6008     -0.00000
   1335       2.6212     -0.00000
   1336       2.6343     -0.00000
   1337       2.6458     -0.00000
   1338       2.6608     -0.00000
   1339       2.6667     -0.00000
   1340       2.6735     -0.00000
   1341       2.6806     -0.00000
   1342       2.7079     -0.00000
   1343       2.7534     -0.00000
   1344       2.7726     -0.00000
   1345       2.7923     -0.00000
   1346       2.9621     -0.00000
   1347       2.9855     -0.00000
   1348       3.0100     -0.00000
   1349       3.0237     -0.00000
   1350       3.0338     -0.00000
   1351       3.0654     -0.00000
   1352       3.0875     -0.00000
   1353       3.0971     -0.00000
   1354       3.1195     -0.00000
   1355       3.1510     -0.00000
   1356       3.1541     -0.00000
   1357       3.1679     -0.00000
   1358       3.1734     -0.00000
   1359       3.1928     -0.00000
   1360       3.2348     -0.00000
   1361       3.2606     -0.00000
   1362       3.3132     -0.00000
   1363       3.4448     -0.00000
   1364       3.5145     -0.00000
   1365       3.5598     -0.00000
   1366       3.5958     -0.00000
   1367       3.6424     -0.00000
   1368       3.7030     -0.00000
   1369       3.7187     -0.00000
   1370       3.7524     -0.00000
   1371       3.7993     -0.00000
   1372       3.8057     -0.00000
   1373       3.8414     -0.00000
   1374       3.8547      0.00000
   1375       3.8650      0.00000
   1376       3.8895      0.00000
   1377       3.8982      0.00000
   1378       3.9176      0.00000
   1379       3.9319      0.00000
   1380       3.9404      0.00000
   1381       3.9517      0.00000
   1382       3.9655      0.00000
   1383       3.9710      0.00000
   1384       3.9882      0.00000
   1385       4.0045      0.00000
   1386       4.0144      0.00000
   1387       4.0217      0.00000
   1388       4.0308      0.00000
   1389       4.0438      0.00000
   1390       4.0550      0.00000
   1391       4.0620      0.00000
   1392       4.0743      0.00000
   1393       4.0975      0.00000
   1394       4.1066      0.00000
   1395       4.1149      0.00000
   1396       4.1279      0.00000
   1397       4.1376      0.00000
   1398       4.1467      0.00000
   1399       4.1645      0.00000
   1400       4.1780      0.00000
   1401       4.1857      0.00000
   1402       4.2142      0.00000
   1403       4.2265      0.00000
   1404       4.2395      0.00000
   1405       4.2442      0.00000
   1406       4.2494      0.00000
   1407       4.2665      0.00000
   1408       4.2873      0.00000
   1409       4.3064      0.00000
   1410       4.3237      0.00000
   1411       4.3367      0.00000
   1412       4.3419      0.00000
   1413       4.3537      0.00000
   1414       4.3700      0.00000
   1415       4.3911      0.00000
   1416       4.4035      0.00000
   1417       4.4206      0.00000
   1418       4.4253      0.00000
   1419       4.4408      0.00000
   1420       4.4485      0.00000
   1421       4.4647      0.00000
   1422       4.4672      0.00000
   1423       4.4827      0.00000
   1424       4.5046      0.00000
   1425       4.5244      0.00000
   1426       4.5393      0.00000
   1427       4.5497      0.00000
   1428       4.5602      0.00000
   1429       4.5927      0.00000
   1430       4.6117      0.00000
   1431       4.6325      0.00000
   1432       4.6556      0.00000
   1433       4.6789      0.00000
   1434       4.7006      0.00000
   1435       4.7479      0.00000
   1436       4.7753      0.00000
   1437       4.7971      0.00000
   1438       4.8067      0.00000
   1439       4.8265      0.00000
   1440       4.8381      0.00000
   1441       4.8707      0.00000
   1442       4.8720      0.00000
   1443       4.9156      0.00000
   1444       4.9309      0.00000
   1445       4.9322      0.00000
   1446       4.9453      0.00000
   1447       4.9697      0.00000
   1448       4.9764      0.00000
   1449       5.0007      0.00000
   1450       5.0188      0.00000
   1451       5.0352      0.00000
   1452       5.0388      0.00000
   1453       5.0604      0.00000
   1454       5.0815      0.00000
   1455       5.1014      0.00000
   1456       5.1047      0.00000
   1457       5.1329      0.00000
   1458       5.1381      0.00000
   1459       5.1484      0.00000
   1460       5.1715      0.00000
   1461       5.1901      0.00000
   1462       5.2040      0.00000
   1463       5.2200      0.00000
   1464       5.2368      0.00000
   1465       5.2393      0.00000
   1466       5.2538      0.00000
   1467       5.2596      0.00000
   1468       5.2822      0.00000
   1469       5.2880      0.00000
   1470       5.3049      0.00000
   1471       5.3177      0.00000
   1472       5.3198      0.00000
   1473       5.3368      0.00000
   1474       5.3445      0.00000
   1475       5.3542      0.00000
   1476       5.3604      0.00000
   1477       5.3675      0.00000
   1478       5.3721      0.00000
   1479       5.3840      0.00000
   1480       5.3955      0.00000
   1481       5.4001      0.00000
   1482       5.4204      0.00000
   1483       5.4239      0.00000
   1484       5.4258      0.00000
   1485       5.4349      0.00000
   1486       5.4451      0.00000
   1487       5.4580      0.00000
   1488       5.4748      0.00000
   1489       5.4778      0.00000
   1490       5.4848      0.00000
   1491       5.4945      0.00000
   1492       5.5060      0.00000
   1493       5.5089      0.00000
   1494       5.5182      0.00000
   1495       5.5296      0.00000
   1496       5.5319      0.00000
   1497       5.5464      0.00000
   1498       5.5542      0.00000
   1499       5.5599      0.00000
   1500       5.5731      0.00000
   1501       5.5765      0.00000
   1502       5.5947      0.00000
   1503       5.6035      0.00000
   1504       5.6082      0.00000
   1505       5.6110      0.00000
   1506       5.6232      0.00000
   1507       5.6365      0.00000
   1508       5.6381      0.00000
   1509       5.6440      0.00000
   1510       5.6545      0.00000
   1511       5.6624      0.00000
   1512       5.6693      0.00000
   1513       5.6824      0.00000
   1514       5.7046      0.00000
   1515       5.7120      0.00000
   1516       5.7208      0.00000
   1517       5.7236      0.00000
   1518       5.7294      0.00000
   1519       5.7447      0.00000
   1520       5.7538      0.00000
   1521       5.7574      0.00000
   1522       5.7756      0.00000
   1523       5.7814      0.00000
   1524       5.7936      0.00000
   1525       5.8106      0.00000
   1526       5.8168      0.00000
   1527       5.8178      0.00000
   1528       5.8336      0.00000
   1529       5.8520      0.00000
   1530       5.8610      0.00000
   1531       5.8656      0.00000
   1532       5.8743      0.00000
   1533       5.8787      0.00000
   1534       5.8887      0.00000
   1535       5.8968      0.00000
   1536       5.9025      0.00000
   1537       5.9192      0.00000
   1538       5.9276      0.00000
   1539       5.9334      0.00000
   1540       5.9381      0.00000
   1541       5.9703      0.00000
   1542       5.9777      0.00000
   1543       5.9824      0.00000
   1544       5.9897      0.00000
   1545       5.9934      0.00000
   1546       6.0059      0.00000
   1547       6.0108      0.00000
   1548       6.0242      0.00000
   1549       6.0307      0.00000
   1550       6.0428      0.00000
   1551       6.0497      0.00000
   1552       6.0552      0.00000
   1553       6.0598      0.00000
   1554       6.0710      0.00000
   1555       6.0773      0.00000
   1556       6.0922      0.00000
   1557       6.0977      0.00000
   1558       6.1099      0.00000
   1559       6.1105      0.00000
   1560       6.1311      0.00000
   1561       6.1435      0.00000
   1562       6.1490      0.00000
   1563       6.1555      0.00000
   1564       6.1613      0.00000
   1565       6.1759      0.00000
   1566       6.1801      0.00000
   1567       6.1958      0.00000
   1568       6.2033      0.00000
   1569       6.2050      0.00000
   1570       6.2198      0.00000
   1571       6.2272      0.00000
   1572       6.2326      0.00000
   1573       6.2359      0.00000
   1574       6.2436      0.00000
   1575       6.2494      0.00000
   1576       6.2692      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.088  13.413  -0.001   0.001  -0.000   0.001  -0.004   0.000
 13.413  17.832  -0.001   0.002  -0.000   0.002  -0.006   0.001
 -0.001  -0.001  -4.234   0.003   0.001   8.281  -0.004  -0.001
  0.001   0.002   0.003  -4.234   0.001  -0.004   8.280  -0.001
 -0.000  -0.000   0.001   0.001  -4.227  -0.001  -0.001   8.272
  0.001   0.002   8.281  -0.004  -0.001 -18.328   0.007   0.001
 -0.004  -0.006  -0.004   8.280  -0.001   0.007 -18.324   0.000
  0.000   0.001  -0.001  -0.001   8.272   0.001   0.000 -18.318
 total augmentation occupancy for first ion, spin component:           1
  8.417  -3.786   0.188   0.150  -0.047   0.024   0.028  -0.008
 -3.786   1.776  -0.099  -0.101   0.027  -0.011  -0.017   0.004
  0.188  -0.099   1.774  -0.060  -0.039   0.168  -0.012  -0.007
  0.150  -0.101  -0.060   1.893  -0.092  -0.012   0.177  -0.013
 -0.047   0.027  -0.039  -0.092   1.226  -0.008  -0.013   0.081
  0.024  -0.011   0.168  -0.012  -0.008   0.018  -0.002  -0.001
  0.028  -0.017  -0.012   0.177  -0.013  -0.002   0.018  -0.002
 -0.008   0.004  -0.007  -0.013   0.081  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -49818.85904 87984.60963 21345.52005-10092.50209  6244.15539 18902.88484
  Hartree  5864.28738114953.69962 59218.78677-10539.04423  4210.93597 13156.16192
  E(xc)  -10734.44154-10587.28835-10628.86913     2.84762     8.21851    33.48162
  Local   10527.25298************************ 20629.40044-10473.19858-31457.23462
  n-local -5842.94484 -5980.47812 -6034.72042     4.68729    16.30585   -65.26342
  augment  1493.11359  1535.76952  1487.30011     4.58269    12.57285    -3.54436
  Kinetic 45483.90914 43255.93427 43647.58756   -31.17795   -68.21194  -578.70147
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -119.8235996   -395.8643512   -163.0224222    -21.2062211    -49.2219522    -12.2154839
  in kB      -19.9815443    -66.0135492    -27.1852938     -3.5363071     -8.2081545     -2.0370297
  external PRESSURE =     -37.7267958 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
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 -----------------------------------------------------------------------------------------------
   0.275E+02 0.241E+01 -.161E+02   -.145E-11 0.347E-11 0.563E-11   -.274E+02 -.240E+01 0.160E+02   -.911E-01 -.492E-02 0.251E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.14618      3.14677      1.33746         0.062602      0.103329     -0.018291
     12.91154      3.58656      2.63735        -0.008404     -0.040837      0.078831
     12.85993      4.94365      2.96859         0.084606      0.087714     -0.046047
     13.19667      4.07510      0.30138        -0.021755      0.112057     -0.033676
     13.05952      5.43220      0.61486         0.051338      0.103479     -0.046238
     12.97415      5.92346      1.94225         0.049593     -0.021097      0.065670
     13.29156      1.66214      1.34827        -0.134733      0.333555      0.136251
     12.71333      2.37975      3.50161        -0.015962      0.044565      0.006621
     13.06950      7.40588      2.21152         0.031543     -0.014653      0.075407
     13.08510      7.95957      3.51908        -0.014764      0.000769     -0.036432
     13.31153      9.32742      3.69419         0.016605      0.006223     -0.012990
     13.23764      8.32359      1.14329         0.038924     -0.152139     -0.127717
     13.46309      9.69205      1.32105        -0.042515     -0.040201     -0.038405
     13.51467     10.19198      2.62135         0.057998     -0.092708      0.039749
     13.76620     11.56708      3.14360        -0.182374     -0.176069      0.306458
     13.38339     10.12597      4.95866        -0.054409     -0.190493      0.202491
     13.75427     12.58544      5.51499        -0.031414     -0.132690     -0.251055
     13.49709     12.45352      6.88050        -0.108868      0.227775      0.215972
     13.54335     13.55924      7.73059        -0.038323     -0.014000     -0.036664
     14.10019     13.87575      5.08479        -0.033320      0.046833      0.133641
     14.14878     14.98058      5.95501        -0.009611     -0.071350      0.083962
     13.84557     14.88043      7.36479        -0.009433     -0.206233     -0.405391
     13.88761     15.98025      8.40538         0.095143      0.153674      0.037714
     13.23889     16.02186      9.69104        -0.012059      0.087558      0.061098
     13.31760     17.17205     10.50155        -0.045016      0.037785      0.053216
     14.64353     17.13809      8.13515         0.037740      0.079659      0.007081
     14.64745     18.30168      8.89555         0.006721      0.031225      0.097142
     13.94878     18.34669     10.09554         0.097019     -0.001308     -0.036041
     12.42670     14.90911     10.31994        -0.035763      0.081231      0.045844
     14.71864     16.20307      5.27170        -0.231029      0.009668      0.073478
      9.82549      3.84163      4.72084         0.033463      0.216214      0.037791
      9.71786      4.76941      3.68730        -0.026921      0.003836     -0.024348
      9.75498      6.15344      3.93496         0.059283     -0.124638      0.097773
     10.04311      4.26605      6.02679         0.033886      0.142526     -0.000609
     10.11390      5.63783      6.27897         0.112158     -0.012565     -0.042757
      9.96280      6.62434      5.26540        -0.012138      0.056463      0.014306
      9.61120      2.47262      4.19386         0.036075     -0.195182      0.130992
      9.58116      3.99122      2.40214         0.020205      0.218704     -0.073848
     10.03053      8.08803      5.65196        -0.001494     -0.107197     -0.107617
     10.07019      9.14195      4.70189         0.000435      0.061346      0.037577
     10.19161     10.46413      5.13634        -0.121898     -0.068806      0.071147
     10.04007      8.47326      7.01967         0.046436     -0.117273     -0.120995
     10.10684      9.80262      7.45019         0.050687      0.120187     -0.056431
     10.20944     10.80974      6.48871        -0.015287     -0.074907     -0.090343
     10.27997     12.29900      6.60647         0.077877     -0.413329     -0.529791
     10.27419     11.71789      4.33383         0.139271     -0.011087     -0.213238
     10.70666     14.16325      4.87855         0.140625     -0.011368     -0.107662
     11.23869     14.48988      3.62594         0.059592      0.171539     -0.086497
     11.61001     15.80035      3.32087         0.095295      0.095816      0.039346
     10.57178     15.24368      5.76202         0.023467      0.113025     -0.010213
     10.95304     16.56962      5.45000         0.159619     -0.048666      0.156122
     11.53329     16.92901      4.16952        -0.007476     -0.128391      0.042633
     12.04929     18.30272      3.70613        -0.046822      0.095554     -0.066401
     12.64762     18.70185      2.44344         0.013161     -0.106154     -0.029935
     12.96698     20.05126      2.18171        -0.124779     -0.240055     -0.068798
     11.93836     19.40627      4.58007         0.028078      0.115592     -0.056820
     12.21513     20.74691      4.30810        -0.058084     -0.128634      0.139345
     12.70860     21.11580      3.05637        -0.086328      0.002236      0.063477
     13.11094     17.80508      1.27455         0.001448      0.300451      0.082819
     10.78220     17.48736      6.66080        -0.116553     -0.209070     -0.027213
     10.54346      7.06720     14.75469         0.107067     -0.077851     -0.075397
     10.46073      7.49127     16.07843         0.018530     -0.101712     -0.021413
     10.47150      8.84394     16.42350         0.124197      0.584110     -0.128479
     10.55700      8.00511     13.73000        -0.051803      0.366314     -0.107415
     10.49252      9.36927     14.06538        -0.018578      0.007285     -0.064981
     10.50010      9.85593     15.39915         0.105746     -0.315106      0.296448
     10.57654      5.57168     14.70303        -0.224266      0.601869      0.778056
     10.30106      6.26263     16.93281         0.026589      0.031712     -0.613512
     10.56274     11.35780     15.65794         0.079309     -0.140908      0.134380
     10.63286     11.96442     16.94563        -0.003678     -0.124542      0.021106
     10.72891     13.35814     17.06348         0.045161      0.013616      0.055282
     10.61097     12.24983     14.55818         0.039891     -0.122371     -0.050076
     10.74398     13.63623     14.67337        -0.019549      0.009619     -0.037617
     10.79825     14.19601     15.95043         0.084327     -0.041193     -0.031268
     10.93196     15.61748     16.40396        -0.138857     -0.194596      0.177336
     10.76939     14.22650     18.29204        -0.013751     -0.083685      0.117699
     10.75774     16.75561     18.69944        -0.013134      0.011576      0.103707
     10.07647     16.73374     19.91318        -0.070625     -0.027688      0.064993
      9.91039     17.89895     20.66504         0.001288     -0.123463     -0.051154
     11.30100     18.00630     18.36174        -0.016729      0.041921      0.037412
     11.16449     19.18169     19.14474         0.125807     -0.105695     -0.139184
     10.41007     19.18566     20.39449         0.053224     -0.011708     -0.181897
     10.10409     20.33887      0.12186        -0.032470      0.159268      0.193028
      9.41650     20.29995      1.40616         0.032188     -0.048486     -0.026662
      9.21831      0.19797      2.20027         0.056648     -0.071696     -0.071365
     10.50200      0.40061     21.08165         0.043499     -0.046227     -0.106860
     10.31273      1.54740      0.60056        -0.048799     -0.076859      0.087111
      9.68356      1.47549      1.84698        -0.005038      0.013147      0.005481
      8.76277     19.07713      2.03485         0.167755      0.088854      0.308872
     11.96058     20.33301     18.50890        -0.146534     -0.009075      0.183992
      7.30613      7.64998     17.35456        -0.111798     -0.002372      0.057399
      7.14873      8.57415     16.32416        -0.118534      0.068673      0.045973
      7.08798      9.95136     16.59592         0.043583      0.085171      0.018147
      7.51252      8.07063     18.66234         0.013470      0.118786      0.060323
      7.53059      9.44321     18.92595         0.046179      0.093734     -0.023965
      7.28972     10.43180     17.92863         0.016230      0.019876      0.066449
      7.07833      6.27719     16.83203         0.182317      0.243152     -0.115336
      7.01737      7.79068     15.03694         0.207080      0.006461      0.107399
      7.25633     11.89969     18.34953        -0.027187     -0.058444     -0.186534
      7.15630     12.99345     17.43891         0.016305     -0.066910      0.018087
      7.17535     14.31331     17.91352        -0.085550      0.040298      0.021962
      7.35586     12.24440     19.72502         0.059255     -0.099672     -0.091734
      7.35632     13.56185     20.19577        -0.041289      0.007776     -0.079930
      7.24510     14.60697     19.27706        -0.017341     -0.001527      0.000185
      7.18924     16.09530     19.47296         0.082439     -0.396583     -0.648265
      7.16524     15.62283     17.16888         0.035106     -0.099314      0.086696
      7.50954     18.06778     17.84777         0.129192     -0.174070     -0.060918
      8.31923     18.42239     16.76640         0.021793      0.062906     -0.067337
      8.68842     19.74933     16.54841         0.080435      0.157254      0.027455
      7.06466     19.13914     18.63094        -0.047388      0.081454     -0.028882
      7.42856     20.49430     18.39799         0.001872     -0.083431      0.157127
      8.31824     20.87825     17.31714         0.144676     -0.037437     -0.070056
      8.90462      1.00761     16.92858        -0.029191      0.140724     -0.095211
      9.63317      1.37957     15.71557         0.098108     -0.072639     -0.060263
     10.07239      2.71184     15.52060         0.063590     -0.117074     -0.115602
      8.74196      2.12282     17.79119         0.021951     -0.174955      0.167119
      9.21680      3.43227     17.60373        -0.262291     -0.163595     -0.072251
      9.86906      3.77643     16.41600         0.171398     -0.178681     -0.040580
     10.13457      0.50521     14.51362        -0.026745     -0.022964      0.242592
      6.73671      0.16026     19.39891        -0.226675     -0.136110     -0.063146
      6.91686     10.82595      6.19926        -0.011730      0.084880      0.016130
      6.84677     11.27264      7.51703         0.018616      0.064211     -0.073568
      6.88602     12.64195      7.84120         0.063059      0.118213     -0.046463
      7.06657     11.75951      5.16924        -0.036437      0.068915      0.021326
      7.12749     13.12457      5.49352        -0.044854      0.022689     -0.023011
      7.03285     13.63293      6.81723        -0.026918      0.005371      0.175717
      6.91196      9.32775      6.18989        -0.021697     -0.047894      0.023481
      6.83320     10.05067      8.39956        -0.015246      0.098468      0.139599
      7.13026     15.14743      7.05948        -0.090689     -0.141052      0.213998
      7.12855     15.76838      8.34949         0.006810     -0.090862     -0.032868
      7.24520     17.16634      8.46951         0.020077      0.049104     -0.069741
      7.27147     16.03476      5.95657        -0.099283     -0.029041     -0.065280
      7.35676     17.42703      6.08326        -0.072762     -0.117927     -0.124770
      7.31619     17.99552      7.35122        -0.041291     -0.057582     -0.035193
      7.44510     19.42614      7.77216         0.037026      0.095450     -0.020771
      7.44898     18.04598      9.67557         0.071811     -0.103705      0.103326
      7.67214     20.57570     10.03753         0.076489     -0.021718     -0.101931
      7.21279     20.55662     11.34665         0.029968      0.194800      0.149421
      7.21183      0.45323     12.11950        -0.072655      0.018350      0.076856
      8.28484      0.52269      9.63508         0.072917     -0.034267      0.085157
      8.39037      1.66079     10.47666         0.029723     -0.046520      0.046033
      7.73874      1.71024     11.78523         0.041902     -0.239179      0.003398
      7.53148      2.85242     12.79883         0.029241      0.238820      0.062623
      6.90494      2.83017     14.11509        -0.120315     -0.116363      0.287528
      6.71220      4.00653     14.87477         0.032952     -0.146345     -0.014877
      7.93204      4.16515     12.46402         0.096781     -0.083558     -0.161177
      7.80944      5.31711     13.24928        -0.105396     -0.023864     -0.107583
      7.17593      5.27099     14.49474         0.036252      0.061265      0.054004
      6.30350      1.63979     14.88294        -0.220748      0.155610      0.066155
      9.37104      2.69369      9.92281         0.064830     -0.074229     -0.036573
      4.28506     11.52420     10.49341        -0.091210      0.029769     -0.059345
      4.03882     12.39073      9.43216        -0.031482     -0.021242     -0.024533
      4.14744     13.77733      9.57801         0.007162     -0.000170     -0.029169
      4.67158     12.03914     11.73028         0.024007      0.092570     -0.006884
      4.69630     13.43041     11.89951         0.083282      0.026869      0.044661
      4.44632     14.34606     10.84433        -0.072977      0.085523     -0.139756
      3.87558     10.14365     10.10755        -0.075439      0.084670     -0.306231
      3.54383     11.57738      8.26895         0.060292     -0.007697     -0.020279
      4.45129     15.84451     11.08558        -0.030822     -0.162502     -0.135731
      4.06907     16.79341     10.08905         0.043619      0.002536      0.119703
      4.10531     18.16428     10.37723        -0.002788     -0.004209      0.181600
      4.85281     16.35295     12.34766        -0.059234     -0.103604     -0.063937
      4.79803     17.70971     12.66077        -0.036180      0.077287     -0.053225
      4.40596     18.60132     11.66669        -0.007498     -0.044260     -0.029675
      4.27743     20.07365     11.72500         0.020622     -0.209295     -0.158437
      3.93911     19.39611      9.51493        -0.030463     -0.269585      0.186913
      4.35389      0.63411     10.00448         0.038727     -0.113847      0.082514
      4.85552      0.99498      8.75824         0.061681      0.089859     -0.014276
      5.37727      2.26957      8.56856         0.070228      0.024772     -0.028474
      4.23587      1.70112     10.90062        -0.046013     -0.101566      0.032971
      4.73302      3.00967     10.68040         0.067371      0.113667     -0.094913
      5.45098      3.35958      9.46820        -0.128690      0.017860     -0.028868
      6.06864      4.71494      8.97113         0.015241      0.075857     -0.075262
      6.55037      5.03302      7.63831        -0.055504      0.037552      0.058816
      6.84465      6.35869      7.20758        -0.118195     -0.327019      0.070181
      6.07526      5.88098      9.76668        -0.013761      0.098119      0.039529
      6.29200      7.20005      9.33035         0.015234     -0.342560      0.167264
      6.65123      7.50092      8.01178        -0.037214      0.052222      0.071502
      6.72295      3.99405      6.53957         0.060715      0.293455     -0.170684
      4.18503      3.82800     11.84067         0.081235      0.223828     -0.114351
      0.83988     14.11389      1.00100        -0.118437      0.040590     -0.098639
      1.51529     14.55835      2.13433        -0.058100      0.004485     -0.233575
      1.54465     15.94679      2.42442         0.049861     -0.000038     -0.044609
      0.34059     15.00115      0.05965        -0.109293      0.055192     -0.127657
      0.46923     16.36752      0.30162        -0.058980     -0.056185      0.049032
      0.99566     16.91155      1.50263         0.024995     -0.111654      0.136754
      0.78203     12.63970      0.96346        -0.126179     -0.088313     -0.201103
      2.15469     13.29930      2.73779        -0.025023      0.157840      0.089476
      0.93670     18.44463      1.66431         0.001349     -0.072500      0.109696
      1.32956     19.19298      2.81757        -0.086607     -0.016377     -0.115893
      1.22020     20.59705      2.82288        -0.043214     -0.012289     -0.121477
      0.42893     19.22374      0.58069        -0.008446     -0.166707     -0.016593
      0.25201     20.60932      0.61626         0.034617     -0.094809     -0.015017
      0.65607      0.03702      1.75548        -0.102496      0.007941     -0.042976
      0.57644      1.49299      2.07153        -0.018429      0.035910      0.045364
      1.66948      0.36390      3.82760         0.106300     -0.086165      0.063032
      1.33036      2.91603      4.05478        -0.002443     -0.124330     -0.121589
      1.95185      3.00494      5.29891         0.210855      0.023367      0.030830
      2.09157      4.22900      5.94523         0.032487     -0.218041     -0.016437
      0.78081      4.13093      3.59284         0.005041     -0.045319      0.159513
      0.87118      5.34332      4.31717         0.017691      0.044571      0.223160
      1.62192      5.48912      5.55046        -0.151731     -0.251711     -0.290560
      1.98547      6.70661      6.41362         0.174492      0.148562      0.300767
      2.45821      6.68926      7.78163         0.084032     -0.074923      0.218742
      2.87985      7.84329      8.47287        -0.085293     -0.254791     -0.150565
      2.01134      8.03194      5.91383        -0.060920      0.003007     -0.185698
      2.47319      9.18617      6.57650         0.009427     -0.200164      0.093469
      2.93703      9.11738      7.90954         0.130878      0.185553     -0.052586
      2.72808      5.46504      8.64197         0.273716      0.214862     -0.095439
      0.05256      6.43560      3.68893        -0.065471      0.144988     -0.142784
      4.60659     14.08034      0.65443         0.099913      0.110565      0.191600
      4.03004     14.98907     -0.23437         0.029747      0.129867      0.099751
      4.07159     16.37997     -0.00488         0.011495      0.351009      0.125957
      5.24929     14.56309      1.79285         0.002621      0.108486      0.140796
      5.23640     15.94261      2.05065         0.000449      0.127690      0.049844
      4.64478     16.92662      1.20346        -0.094237     -0.134850     -0.213201
      4.40769     12.68200      0.16904        -0.129064      0.198924     -0.151997
      3.41426     14.16598     19.91705        -0.099713      0.050681      0.209684
      4.68207     18.41747      1.64774        -0.084398      0.074774     -0.155853
      4.16371     19.56057      0.94500        -0.009536     -0.086375     -0.026541
      4.31402     20.87489      1.46282         0.083945      0.088476      0.131088
      5.30207     18.72756      2.88953        -0.119630     -0.102179     -0.045650
      5.48253     20.02041      3.38848        -0.066652      0.071345      0.023701
      5.00269     21.10723      2.65230         0.064510      0.052224      0.126565
      5.12073      1.33043      2.91158        -0.062191      0.137819     -0.067560
      3.85114      0.98134      0.96827        -0.037098      0.016217     -0.151674
      4.04886      3.45556      1.83962         0.168375      0.236800      0.123089
      3.16672      4.04201      0.91533        -0.145857     -0.124674     -0.234187
      2.93826      5.42602      0.83503         0.022914     -0.139990     -0.052580
      4.61226      4.41986      2.72144        -0.112694     -0.396673     -0.059239
      4.26927      5.79671      2.71851        -0.119986      0.013768      0.057343
      3.43448      6.41150      1.71735        -0.074191      0.224432      0.029298
      3.02067      7.91528      1.61298         0.074474      0.023671      0.172628
      1.82095      8.47907      1.03473        -0.207681     -0.303205     -0.025943
      1.48624      9.83220      1.16116         0.121425      0.077879      0.249650
      3.78890      8.93086      2.24480         0.195963     -0.324664     -0.080413
      3.40997     10.26475      2.47968        -0.183284     -0.000404     -0.027448
      2.22913     10.77538      1.90520        -0.158991     -0.164065     -0.061788
      0.79791      7.72153      0.17665        -0.247585     -0.013531     -0.008098
      4.90365      6.50585      3.90352        -0.096021     -0.219690     -0.190908
     18.02211     17.33191     13.79849         0.073191      0.083349      0.026030
     19.01995     17.80348     14.64930         0.055548      0.003223      0.137000
     19.26779     19.17408     14.82224        -0.087630     -0.028626      0.066393
     17.32588     18.24042     12.99910        -0.023392      0.054112     -0.055900
     17.63525     19.60450     13.09944        -0.117414      0.021470     -0.022638
     18.54054     20.13055     14.05736         0.068303     -0.054134      0.033069
     17.97787     15.83537     13.88191         0.321503      0.340119      0.129156
     19.72090     16.61049     15.24228         0.183676      0.166072      0.107272
     18.67065      0.36751     14.25183         0.098370     -0.140911      0.160363
     19.58161      0.94376     15.18082        -0.024384      0.084279      0.103148
     19.57741      2.32946     15.39083        -0.017093      0.141122      0.016305
     17.81170      1.26104     13.56208        -0.012983     -0.049995      0.012773
     17.82004      2.64578     13.76626         0.042726     -0.046022      0.016126
     18.71716      3.17791     14.69030        -0.030957      0.036041      0.086589
     18.93026      4.59458     15.13970         0.194743     -0.360873      0.123171
     20.36675      3.18307     16.35074         0.034037     -0.253099      0.129438
     20.56674      5.68845     16.77738        -0.052501     -0.110489     -0.126298
      0.63065      5.67819     17.20597         0.083008      0.299904      0.171144
      1.23191      6.83069     17.70114        -0.108049      0.393713      0.009952
     19.88436      6.88665     17.00486        -0.315781      0.274481     -0.050040
     20.48694      8.05174     17.55357        -0.032642     -0.108019      0.124500
      0.64032      8.10119     17.88637         0.240251     -0.035287      0.023144
      1.53228      9.27514     18.44369         0.094592      0.069779      0.188920
      2.91146      9.26861     18.95265        -0.255595     -0.299498      0.098971
      3.52914     10.43708     19.47263        -0.462982      0.043249     -0.071489
      0.99169     10.57794     18.53864         0.277185      0.196944      0.143859
      1.59612     11.72363     19.09632        -0.252236     -0.260008     -0.138962
      2.88787     11.67757     19.61861         0.083890     -0.413710     -0.199774
      3.99690      8.16443     18.94058        -0.283525      0.401026      0.149170
     19.44971      9.12247     17.86894         0.055096      0.099409      0.176780
      1.84731     18.26157     14.12737        -0.035902      0.229091     -0.051769
      1.15071     19.17784     13.34371        -0.245936      0.075837     -0.033263
      1.20303     20.55389     13.59460        -0.009113     -0.041915     -0.068959
      2.66181     18.72273     15.15660        -0.146634      0.002346      0.126934
      2.68691     20.08993     15.43443         0.172870      0.203048     -0.012010
      1.96602     21.05314     14.68474        -0.000393      0.174905      0.025234
      1.54871     16.88401     13.67088        -0.237225      0.303708     -0.100308
      0.38057     18.39974     12.30918         0.027371      0.105012     -0.019038
      2.10304      1.27070     15.00339        -0.051013     -0.223977     -0.117523
      1.57644      2.27698     14.15559         0.132583     -0.027725     -0.039800
      1.86034      3.61743     14.41223        -0.088777      0.102319      0.055255
      2.81744      1.71466     16.14767        -0.043171     -0.040908     -0.057443
      3.17601      3.05669     16.34653        -0.061643     -0.082361     -0.078689
      2.73218      4.01277     15.42911        -0.151830     -0.118187     -0.133532
      2.98049      5.48490     15.28182        -0.061211     -0.264030      0.007259
      1.33315      4.84531     13.74487        -0.181534     -0.058373     -0.065014
      1.52225      7.31697     14.25103        -0.070525      0.091904      0.092162
      0.20564      7.61987     13.89074        -0.105105      0.057052      0.015073
     20.97761      8.91327     14.04571        -0.100154     -0.014858      0.073951
      2.29330      8.42213     14.64996        -0.092867      0.118540      0.018776
      1.78952      9.73919     14.77757         0.119515      0.031713      0.113463
      0.40209     10.06054     14.49270        -0.000411     -0.159007      0.064226
     20.88352     11.38238     14.59173        -0.096321      0.081456     -0.048103
     19.49550     11.65791     14.24117        -0.098086     -0.054255     -0.089569
     18.94449     12.95763     14.34531         0.026830     -0.166390     -0.074333
      0.26850     12.55504     15.03803         0.052068      0.066000     -0.050651
     -0.26279     13.84595     15.09694         0.085062     -0.059441      0.159499
     19.67021     14.09891     14.73070         0.146259     -0.079499     -0.001127
     18.42606     10.65157     13.76347        -0.033526      0.246887      0.157486
      2.89517     10.70425     15.20811         0.095365     -0.167196     -0.052731
     16.29439      0.40450      5.23974        -0.074435      0.194534     -0.013192
     16.92838      0.79719      6.41791        -0.083154      0.063629     -0.002245
     16.88284      2.13284      6.86404        -0.112048      0.066839     -0.056393
     15.61122      1.33477      4.47513         0.037750      0.107789     -0.040962
     15.61172      2.67142      4.88031        -0.013892      0.002392      0.090139
     16.22335      3.13061      6.07435         0.075114      0.054931      0.076760
     16.57376     20.23776      4.94022         0.148648      0.211917      0.146377
     17.65022     20.84361      6.94275        -0.078828      0.047842     -0.081449
     16.19817      4.63286      6.37129         0.067909     -0.121484      0.046330
     16.83145      5.27095      7.48017        -0.101156     -0.013124     -0.053520
     16.80413      6.67411      7.58894        -0.046928     -0.002090     -0.066518
     15.54829      5.50364      5.45028         0.036742     -0.083567     -0.011387
     15.59183      6.89822      5.53144         0.030277     -0.122421     -0.087185
     16.24138      7.48916      6.60636         0.033958     -0.128050      0.031121
     16.52335      8.92460      6.90374        -0.137974      0.019514      0.010760
     17.37513      7.58095      8.63721        -0.047373     -0.118392      0.129280
     17.69655     10.10779      8.83772        -0.036898     -0.101792     -0.020393
     18.72966     10.00900      9.75989         0.110133      0.244668      0.152677
     19.30101     11.14600     10.32772        -0.018660     -0.095528     -0.015010
     17.22491     11.41203      8.61243         0.136850      0.086822      0.122895
     17.82537     12.55714      9.19319        -0.022031      0.021354     -0.030288
     18.95964     12.48085     10.08400        -0.168002     -0.167864     -0.057811
     19.76169     13.59318     10.76189         0.248994      0.008047      0.267600
     21.07379     13.50920     11.38029         0.056115     -0.100614     -0.016061
      0.44503     14.64631     11.93346        -0.113131     -0.001029      0.044335
     19.22259     14.88967     10.88944        -0.015784      0.094895      0.020213
     19.85159     16.01921     11.41987         0.059531      0.053983      0.008337
     21.13775     15.92273     11.96577        -0.067745     -0.043772      0.025416
      0.81831     12.34258     11.40573        -0.003423      0.206428      0.217392
     17.07610     13.82017      8.83591         0.135442     -0.079822     -0.130038
     20.28626      1.44309      6.19509         0.077206     -0.008571      0.158678
     19.68894      2.47039      5.46206         0.060135      0.201839      0.108569
     19.64504      3.77068      5.94470         0.000968     -0.048756     -0.005691
     20.81814      1.70602      7.45602         0.016134     -0.121237      0.015424
     20.69470      2.99932      7.97864        -0.026302     -0.017742      0.096097
     20.12624      4.07101      7.24288         0.013852      0.114585      0.016835
     20.23854      0.19154      5.38627        -0.017503      0.094151     -0.055515
     19.20214      1.91610      4.15944        -0.064493      0.108033      0.015328
     20.15930      5.49558      7.72519        -0.086829     -0.122243     -0.127998
     19.73825      6.53089      6.86163         0.020764      0.173213      0.138775
     20.05568      7.85608      7.14798         0.101543     -0.109355      0.344715
     -0.58972      5.88320      8.98950        -0.073662      0.013221     -0.132944
     -0.26643      7.21004      9.28506        -0.014530      0.229689     -0.132161
     20.75583      8.18694      8.30491        -0.115801     -0.080306     -0.065869
     -0.17279      9.62978      8.23043         0.686467      0.695690      0.782218
     19.78331      9.10554      6.38481        -0.485736      0.090247     -0.724952
     20.33983     11.57420      6.71089        -0.004031     -0.017736     -0.032810
     19.41990     12.01016      5.74809        -0.036484      0.101061     -0.004814
     19.20094     13.36678      5.54036        -0.010388      0.056299      0.034517
     21.11549     12.59579      7.30576        -0.063188      0.031731     -0.112627
     20.92921     13.97118      7.03629        -0.076410      0.007439      0.004270
     19.87944     14.43864      6.15664         0.072213     -0.329518     -0.002923
     19.39009     15.84717      5.91066        -0.069498      0.282236     -0.055042
     18.62028     16.35628      4.79650         0.025722     -0.065840     -0.039044
     18.08390     17.65973      4.79901         0.088990     -0.166035     -0.045730
     19.56872     16.82111      6.91639        -0.086029      0.139293      0.110949
     19.00092     18.09427      6.94278         0.048610     -0.122538      0.119482
     18.18876     18.53948      5.89653         0.055302     -0.151502     -0.016989
     18.20040     15.54291      3.57013         0.103441      0.121565     -0.020622
      0.70005     14.87619      7.70531        -0.174040     -0.159575     -0.162483
     12.74526      5.22025      4.01736        -0.086924      0.046789      0.002490
     13.31239      3.78461     20.51615         0.027268     -0.150374      0.003769
     13.02704      6.13583     21.03620         0.111557     -0.150561      0.116994
     12.94258      7.34052      4.40347        -0.073713     -0.055785      0.030199
     13.22104      7.95206      0.11510         0.008220      0.105473      0.118877
     13.59481     10.32176      0.44040         0.036708      0.143120      0.094323
     13.38307     13.34191      8.77199        -0.049525     -0.132576      0.120290
     13.23696     11.50617      7.32293         0.020012     -0.356388      0.012140
     14.33355     14.03927      4.03939         0.033632     -0.029784     -0.002500
     12.85982     17.14534     11.49061        -0.119455      0.009683     -0.132380
     15.26017     17.18594      7.25962         0.081829     -0.105844      0.042158
     15.20556     19.16300      8.51139        -0.042318     -0.060615      0.166339
      9.61693      6.83721      3.09700         0.010031      0.074815      0.006790
     10.11621      3.55505      6.84495         0.074567     -0.078495      0.012247
     10.27549      5.94161      7.31883         0.033266     -0.064964     -0.221631
      9.98182      8.95615      3.63297         0.098880     -0.090164     -0.085260
      9.95983      7.70771      7.79431         0.006270      0.088296     -0.065661
     10.06207     10.01800      8.52041         0.066148      0.113040     -0.061791
     12.02514     15.91025      2.33226         0.024611     -0.012342      0.083790
     11.42910     13.74249      2.86461        -0.091555     -0.147723     -0.034921
     10.20439     15.04801      6.76107        -0.037065     -0.042381      0.031380
     13.41130     20.27708      1.22618         0.073583      0.064133     -0.160654
     11.60206     19.26359      5.58710        -0.061915     -0.006576     -0.038578
     12.00612      0.21098      5.09240         0.048252      0.065772     -0.072968
     10.44456      9.11485     17.48128        -0.030465      0.033255     -0.010180
     10.57304      7.72640     12.67150         0.034158     -0.117852      0.160156
     10.41108     10.07460     13.23000         0.135469     -0.199435      0.173557
     10.61798     11.36699     17.85804        -0.033047     -0.054047      0.026714
     10.57044     11.84290     13.54860         0.009009      0.112535     -0.004933
     10.80469     14.22498     13.75673         0.004142      0.185808      0.113140
      9.34378     17.71986      0.29581        -0.177730      0.060095      0.012539
      9.63250     15.82292     20.31330         0.158251      0.002392     -0.088293
     11.84151     18.07838     17.42646         0.069223      0.050247     -0.038371
      8.70146      0.10532      3.15018         0.030899     -0.113903     -0.016216
     11.00957      0.58144     20.15191         0.100276      0.065209     -0.079120
     10.68939      2.49060      0.22151        -0.033957      0.159862     -0.087075
      6.83989     10.62796     15.77545         0.122089      0.076579      0.030936
      7.61947      7.36027     19.48331         0.049506     -0.058706     -0.082934
      7.69605      9.73666     19.97044        -0.007518     -0.055247     -0.309886
      7.07433     12.82373     16.36543         0.046652     -0.025351     -0.076408
      7.42938     11.45909     20.48239        -0.016147      0.158952     -0.121284
      7.44853     13.73001      0.01034        -0.011226      0.144080     -0.044164
      9.32165     19.88848     15.68568         0.121403     -0.063608      0.187488
      8.70121     17.67910     16.07471         0.047302     -0.106674     -0.047571
      6.39748     18.93101     19.46188         0.106362     -0.031568      0.003649
     10.57879      2.95714     14.59152        -0.002327     -0.128859      0.032787
      8.18507      1.99536     18.71714         0.203825     -0.008877     -0.199058
      8.97932      4.17047     18.36305         0.072941      0.035261      0.058596
      6.79952     12.92397      8.88993         0.136627      0.063571      0.040973
      7.18284     11.46913      4.12044        -0.095487     -0.137761      0.126418
      7.28668     13.81732      4.65861        -0.066441     -0.172217      0.174560
      7.04061     15.17965      9.26623         0.109765     -0.054577     -0.072961
      7.33790     15.64310      4.93535        -0.011252      0.018168      0.229100
      7.53887     18.03870      5.19724        -0.133206      0.013142      0.066559
      6.76659      0.32466     13.08763        -0.146557     -0.048210     -0.128357
      6.83779     19.65018     11.79629        -0.072775     -0.239352      0.044472
      8.73627      0.56726      8.64476        -0.029172      0.042050      0.097798
      6.20240      3.93960     15.83391         0.113071     -0.090154     -0.164502
      8.40242      4.31325     11.50191         0.047540      0.107357     -0.019171
      8.23145      6.23428     12.85703        -0.053490      0.241569     -0.050280
      3.92427     14.40349      8.71996         0.083148      0.090053     -0.088183
      4.88688     11.39548     12.58338        -0.069476     -0.065610     -0.133411
      4.84721     13.80393     12.91775         0.126967     -0.072542     -0.182291
      3.72982     16.47412      9.10876         0.046792     -0.094507     -0.219143
      5.20692     15.67820     13.12859        -0.015694      0.018054     -0.079405
      5.07997     18.06229     13.65424         0.014322     -0.002057     -0.037920
      5.73034      2.38000      7.57202         0.159450     -0.068116     -0.018367
      4.85964      0.31987      7.91121         0.096169     -0.230257     -0.059938
      3.70570      1.51828     11.82856         0.113802     -0.035314      0.051054
      7.19397      6.47036      6.19061        -0.036060      0.100353     -0.102700
      5.82091      5.81349     10.81113        -0.013223     -0.085624      0.063733
      6.13695      7.98083     10.05925         0.063952      0.215413      0.201888
      2.01419     16.26321      3.35228         0.086021      0.166035      0.141789
     -0.10379     14.64635     20.38061        -0.003299      0.037150      0.226845
      0.13024     17.01789     20.75910        -0.095672      0.014429      0.050497
      1.68996     18.71322      3.72277         0.163703     -0.191593      0.097926
      0.14171     18.73965     20.90424        -0.001808      0.062380      0.154198
     -0.17686     -0.13349     21.01389         0.041558      0.056546      0.053958
      2.64337      4.14850      6.84748         0.213157     -0.133112      0.135576
      2.36672      2.13286      5.79152         0.063636     -0.115580     -0.051162
      0.19859      4.11855      2.67630         0.029557      0.069712      0.006681
      3.17327      7.75074      9.51168         0.048988     -0.055734     -0.074151
      1.70250      8.18564      4.88426        -0.017328      0.076654     -0.065154
      2.46038     10.11768      6.02406         0.046853      0.197361     -0.017866
      3.66113     17.03111     20.47511        -0.074311      0.046712      0.160329
      5.73255     13.89533      2.51815        -0.151967      0.041894     -0.209959
      5.72599     16.24650      2.98144        -0.115789     -0.040020     -0.207749
      3.65215     19.44338     -0.01243        -0.015782     -0.039211     -0.008542
      5.70942     17.92089      3.50259        -0.090961      0.166907     -0.045528
      6.00802     20.13857      4.33839        -0.056664      0.206592     -0.024901
      2.31827      5.72856      0.00331        -0.038934     -0.111578      0.070799
      2.60047      3.42214      0.23190         0.050480     -0.150076     -0.258248
      5.30361      4.09046      3.49108        -0.042924     -0.108672      0.031517
      0.59178     10.19428      0.67106        -0.066197     -0.181529      0.011637
      4.78545      8.66105      2.59648        -0.150294      0.127063      0.011509
      4.05441     10.85214      3.12860         0.068464      0.253309     -0.176926
     20.01953     19.48705     15.55058        -0.026103     -0.035095     -0.022609
     16.57532     17.92116     12.27204         0.034666     -0.110298      0.042391
     17.14661     20.27779     12.38389         0.015648     -0.150663      0.246126
     20.28227      0.32512     15.74836        -0.082266      0.048005     -0.008971
     17.08308      0.86450     12.85182         0.042338      0.057304      0.072804
     17.11606      3.27890     13.22633         0.022739      0.083567     -0.022368
      2.24396      6.69881     18.02915         0.023162     -0.007778     -0.305266
      1.23674      4.79038     17.17555         0.030181     -0.399086      0.009581
     18.82047      6.92854     16.75342         0.285217      0.056844      0.060567
      4.55305     10.38330     19.80800         0.190192     -0.179807      0.096970
      0.01121     10.76360     18.14481        -0.314966     -0.002766     -0.064551
      1.00058     12.63131     19.11943         0.014212      0.114241     -0.029643
      0.66308     21.21930     12.92429        -0.119616      0.111412     -0.008765
      3.27150     18.04489     15.74713         0.008728     -0.188989      0.102134
      3.35566     20.42442     16.23089        -0.087469     -0.026640     -0.040921
      1.01081      2.03261     13.25805        -0.161021     -0.045044      0.004964
      3.14223      0.98797     16.90275        -0.025510      0.203193     -0.174847
      3.76833      3.31715     17.22283         0.094502      0.109630     -0.020919
     19.93842      8.99150     13.80268        -0.041732     -0.078434      0.065870
     20.76021      6.88049     13.51654         0.126815     -0.136006      0.092694
      3.33471      8.26029     14.89394         0.052717     -0.081702      0.038177
     17.90464     13.07124     14.07300        -0.104334      0.105095     -0.049154
      1.29883     12.50715     15.34481         0.100585     -0.017086     -0.018147
      0.41035     14.63500     15.41621        -0.062109      0.095169      0.043589
     17.39956      2.40198      7.78753        -0.013443     -0.003474      0.015796
     15.11286      1.04048      3.55348         0.153437     -0.037808     -0.003126
     15.12020      3.38031      4.21160         0.118761     -0.121880      0.133108
     17.40477      4.71065      8.22492        -0.220241     -0.048988     -0.008512
     14.99688      5.09096      4.60077         0.187564      0.071295      0.152926
     15.12983      7.49253      4.74527         0.084567      0.065401      0.045820
     20.09095     10.92593     11.01423        -0.025127      0.062256      0.027678
     19.14796      9.05191     10.03563        -0.131990     -0.143971      0.153898
     16.36926     11.55695      7.96590        -0.015939      0.021137     -0.138544
      1.41703     14.53283     12.39727         0.005821     -0.060063     -0.081071
     18.21660     15.06922     10.55416        -0.202095     -0.008931      0.074871
     19.29962     16.95691     11.40348         0.106632      0.043822      0.002874
     19.27837      4.54807      5.28409        -0.210260      0.078619     -0.070035
      0.09783      0.92530      8.00573        -0.216573      0.093622      0.008808
     -0.14981      3.17736      8.97202        -0.067873      0.035314     -0.055500
     19.19597      6.32083      5.95253        -0.071918     -0.073051     -0.178445
     -0.39158      5.13284      9.75219        -0.013709     -0.006707      0.029102
      0.17002      7.44992     10.25872         0.003462      0.085013     -0.115399
     18.38813     13.58386      4.86982        -0.100955     -0.025265     -0.033803
     18.83976     11.31661      5.15380        -0.129012     -0.190642      0.099258
      0.65264     12.30404      7.97643         0.019033      0.033456      0.079170
     17.49306     17.95622      3.93981        -0.010686      0.009200      0.004792
     20.13027     16.56878      7.80287        -0.033623     -0.046509      0.009025
     19.18971     18.72431      7.80404        -0.004425      0.063297      0.108642
     13.89887     19.26318     10.69973         0.029138     -0.284816     -0.036262
     19.39831     21.17587      3.42699        -0.031752     -0.040078      0.021654
     12.90689      1.22769      2.66717         0.056586     -0.065547      0.005723
     13.64563     11.47927      4.59175         0.119376      0.224144     -0.169200
      9.59807      2.59725      2.75584        -0.086892     -0.298846     -0.117246
     10.43146     12.80303      5.25339        -0.141687      0.050106      0.158287
     10.25517      5.12504     16.05497         0.119339     -0.106118     -0.406437
     10.84459     15.59057     17.84611         0.089065      0.150936     -0.210582
      7.07714      6.38946     15.40021        -0.055250      0.068611     -0.226229
      7.23855     16.67197     18.15082        -0.048228      0.161088      0.085101
      6.76815      8.88229      7.55127         0.053104      0.047955     -0.033833
      7.52935     19.41085      9.20108         0.120863      0.022919     -0.118080
      3.45047     10.20981      8.70795         0.048095      0.068399     -0.059502
      4.07745     20.53527     10.38616         0.032243      0.107591      0.045256
      1.77492     12.16160      1.88700        -0.142699     -0.005282      0.149763
      1.20375      1.65580      3.35369        -0.008742      0.339144      0.014470
      3.52425     12.77972     20.29861         0.220089      0.109691      0.034939
      4.30969      2.00543      1.91092         0.167126     -0.109017      0.066235
     19.13813     15.43652     14.65477        -0.248170      0.004478      0.064408
     19.96750      4.54077     16.13695        -0.113124      0.194830     -0.021783
      0.56698     17.01092     12.61284         0.136088     -0.140754      0.070059
      1.99424      5.96627     14.33427         0.182324      0.069444      0.188783
     17.50783     19.80061      5.93344         0.022920     -0.038345      0.054701
     17.20254      8.93439      8.16344        -0.136828      0.199189      0.159057
     19.56545      0.55737      4.19980        -0.028969      0.136000      0.048379
     20.44861     10.17991      7.05696         0.209035     -0.039516      0.247252
     12.42323      2.37790      4.69054         0.185795     -0.121680     -0.115609
     13.70251      0.95973      0.44568         0.062697     -0.112058     -0.156458
     13.21253      9.70077      6.09477         0.105734      0.022674     -0.190994
     14.00122     12.57319      2.49944         0.020203      0.011606      0.008438
      9.49492      4.43425      1.26624         0.024166     -0.141453      0.075620
      9.45907      1.44394      4.83456         0.130343      0.180743     -0.307263
     10.21867     11.81432      3.11249        -0.027648      0.033839      0.140941
     10.19217     12.96711      7.61483        -0.013344      0.247044      0.211173
     10.20182      6.22014     18.13894         0.006797     -0.111224      0.848971
     10.84641      4.89145     13.73703         0.069053     -0.411964     -0.227084
     10.73605     13.86765     19.45923         0.011981      0.011102     -0.083105
     11.06747     16.61469     15.71486        -0.019598      0.013666      0.062086
      6.92905      8.21915     13.89879        -0.036961     -0.101744      0.047441
      6.90248      5.26509     17.48859         0.043999     -0.098758     -0.063404
      7.12153     15.79031     15.96131        -0.036661      0.057165     -0.098255
      7.10753     16.70615     20.51952        -0.083973      0.222140      0.152099
      6.92533     10.04005      9.61735        -0.018499     -0.065570      0.017525
      7.06146      8.60027      5.22246        -0.057450      0.139299      0.160486
      7.59117     17.69950     10.83730        -0.059590      0.003329     -0.113127
      7.46739     20.43021      7.07128        -0.045442     -0.348272      0.171026
      3.25893     11.97347      7.14947         0.048461     -0.086436      0.019469
      3.84648      9.15833     10.82559         0.032414      0.027205     -0.061411
      3.76480     19.44186      8.31322        -0.031300      0.110096     -0.258573
      4.32487     20.77216     12.71964        -0.076554      0.053097      0.097856
      2.86835     13.22111      3.71847         0.045958     -0.153781     -0.091528
     -0.00754     11.99017      0.28215         0.358945      0.282914      0.254982
      2.35122      0.17607      4.82155        -0.128519      0.047401     -0.085913
      0.05884      2.38150      1.40806         0.218007     -0.318263      0.091108
      2.91722     14.54163     18.87512        -0.237563      0.238484     -0.300478
      4.91096     11.65899      0.61196        -0.033484      0.096886     -0.116161
      3.19371      1.20907     -0.03217        -0.007002      0.033934     -0.018201
      5.80459      1.88047      3.76269        -0.267959     -0.179900     -0.283459
     -0.62494     16.63365     16.05840        -0.163187     -0.111732     -0.142802
     17.13448     15.09481     13.42005        -0.127837     -0.242671     -0.134094
     -0.08961      2.80666     17.19241        -0.089852      0.029972     -0.088019
     18.35962      5.60063     14.75920        -0.010876      0.087135     -0.031138
     20.99920     18.82302     11.35955        -0.076649      0.041324      0.114929
      2.02296     15.85367     14.11396         0.007295     -0.295386     -0.095277
      0.46063      4.91307     12.88974         0.000326     -0.031022      0.049439
      3.86849      6.14063     15.80234        -0.274119      0.098815     -0.068273
     18.24001     20.73179      8.00314         0.015995     -0.065311      0.015179
     16.12335     19.57151      4.02229         0.018569      0.042581     -0.067293
     17.86684      7.25606      9.70640        -0.127328      0.028563     -0.071648
     16.26803      9.90463      6.21749         0.008819     -0.214771      0.244147
     18.60333      2.47372      3.24848         0.133004     -0.141260      0.189796
     20.66610     20.33106      5.63313         0.029084      0.103236     -0.032341
     19.08629      9.21208      5.37741         0.354849     -0.047256      0.492571
      0.53974     10.25615      9.01986        -0.742429     -0.617705     -0.968069
     14.03212     17.36563      5.48920         0.114043     -0.054128      0.017792
     15.99922     16.40795      5.72455         0.164522     -0.012048     -0.032813
     14.82722     16.09524      3.92766        -0.125098     -0.082108     -0.067938
     11.80734     15.28876     11.48871         0.049099     -0.076304     -0.135268
     11.43608     14.44607      9.51263        -0.050735     -0.009305     -0.001706
     13.20500     13.82571     10.67186        -0.033177     -0.034115      0.201837
     11.96011     17.98212      7.13211         0.111166      0.101146      0.069529
      9.96723     18.56668      6.42312        -0.098164      0.085894     -0.048625
     10.21421     16.85815      7.73351         0.003825     -0.046309      0.044823
     13.44141     18.53111      0.16559         0.124068      0.081839     -0.046271
     14.22505     17.09540      1.59409         0.029765     -0.180185      0.104673
     12.18531     16.90904      0.80508        -0.046173      0.039941     -0.027488
     11.22573      0.22206     18.31375         0.029438     -0.021456     -0.021017
     13.05357     -0.57397     19.24689        -0.089482      0.003741      0.179040
     12.42805     20.03670     17.26812         0.188978     -0.135628     -0.135261
      8.30488     19.30773      3.31194         0.104092      0.050441     -0.103629
      7.67778     18.67363      1.32058        -0.125462     -0.110640     -0.215538
      9.56966     17.97221      2.18626        -0.014685      0.193583      0.055258
      7.57129      0.87838     20.20766         0.190052      0.036834      0.042660
      5.89858      1.05299     18.79415         0.074218      0.149642     -0.132759
      5.94105     20.73117     20.28451         0.009454      0.053890     -0.121661
     10.41690      1.26357     13.41878         0.038763      0.168665     -0.080845
     11.30886     -0.12497     14.83346         0.025070     -0.069439      0.231435
      9.31337     20.77622     14.01500         0.019440      0.326157      0.166226
      8.81043      3.89807      9.55064        -0.000674     -0.079465      0.042838
     10.35542      2.98772     10.81989        -0.063275      0.047872      0.187398
     10.02876      2.26198      8.79546        -0.107993     -0.028513      0.158213
      6.05091      1.92465     16.20211         0.206271      0.063003     -0.062000
      5.09908      1.22851     14.40306         0.118065     -0.000365     -0.193426
      7.09211      0.52803     14.91703        -0.022919     -0.104309      0.076509
      4.62709      5.09479     12.06319        -0.087586     -0.032342     -0.073835
      2.81344      3.91543     11.70532         0.080710      0.062863     -0.077205
      4.38572      3.18981     13.02943        -0.040254      0.074814      0.020593
      7.29360      4.49282      5.40745        -0.060287      0.077328      0.032252
      7.52740      2.94925      6.91630        -0.020266      0.056280     -0.050848
      5.52357      3.47254      6.11006         0.113373      0.043715     -0.071485
     -0.59147      7.25390      4.55413         0.004705      0.015825      0.273858
      0.83588      7.29105      2.96830         0.058882     -0.037922      0.136821
     -0.92750      5.95542      2.86965         0.024162     -0.007139      0.085414
      3.13952      5.77721      9.90601        -0.305697     -0.012160     -0.223164
      1.72270      4.56576      8.80139        -0.230610     -0.088181     -0.010366
      3.76143      4.74894      8.08910        -0.039796      0.182063      0.082407
      6.16975      6.89995      3.57026         0.046410      0.081507     -0.116160
      4.22757      7.58384      4.39186         0.118920     -0.050974     -0.094034
      5.01814      5.68151      4.98268        -0.129521      0.077834     -0.082399
     -0.16691      8.53535     20.90982         0.295031     -0.032241      0.200796
      1.46597      7.17826     -0.88197         0.018849     -0.110233     -0.424300
      0.08644      6.68033      0.70531         0.433371      0.131131      0.065130
     19.44616      9.46092     19.19438         0.082319      0.139689     -0.182665
     19.63132     10.28886     17.15642        -0.124031     -0.084762      0.025006
     18.17180      8.72852     17.60225        -0.046912      0.041872     -0.090734
      4.84360      8.28344     20.01600         0.100100      0.197691      0.001210
      3.68567      6.84447     18.97267         0.020169     -0.166465      0.060624
      4.73001      8.36322     17.80889         0.039910     -0.158590     -0.149376
      3.22726     11.57860     14.20711        -0.065141      0.088795      0.143725
      2.62213     11.46177     16.31243        -0.020770     -0.039767      0.008860
      4.06519     10.06241     15.52826        -0.013752      0.079981     -0.099523
     17.27197     11.25719     13.35763        -0.080593      0.082753      0.127388
     18.77896      9.88298     12.68464        -0.061735      0.061732     -0.093277
     18.06453      9.78184     14.75290         0.007498     -0.073890      0.129230
     16.23161     14.18542      9.85305        -0.075523      0.139966      0.149665
     17.84885     14.91200      8.55318         0.120555     -0.007886     -0.122530
     16.30588     13.65696      7.73130         0.048275     -0.018665     -0.173612
      1.82985     12.56560     12.30223        -0.097641      0.072103     -0.125730
      0.39485     11.08436     11.75896         0.230780      0.285293     -0.089913
      1.41366     12.25885     10.18837        -0.061488     -0.041199      0.040185
      1.27507     15.74579      6.82280        -0.095153      0.134848     -0.094742
      0.20810     15.63369      8.74641         0.074391     -0.034154      0.037141
      1.71710     14.17567      8.26728         0.074472     -0.023173     -0.145652
     17.72091     16.30901      2.54749         0.220404      0.068961      0.068153
     19.22614     14.80336      3.04655         0.094648      0.050091     -0.054130
     17.17807     14.65327      3.84046         0.084152      0.087189     -0.070133
 -----------------------------------------------------------------------------------
    total drift:                                0.003738      0.007808     -0.005834


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4575.1920323162 eV

  energy  without entropy=    -4575.3441572743  energy(sigma->0) =    -4575.24274064
 
 d Force = 0.5544992E+00[ 0.341E+00, 0.768E+00]  d Energy = 0.5540304E+00 0.469E-03
 d Force = 0.7339614E+03[ 0.733E+03, 0.735E+03]  d Ewald  = 0.7339643E+03-0.295E-02


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.554030  1 .order   -0.554499   -0.768349   -0.340650
  (g-gl).g = 0.350E+01      g.g   = 0.352E+01  gl.gl    = 0.313E+01
 g(Force)  = 0.352E+01   g(Stress)= 0.000E+00 ortho     = 0.247E-01
 gamma     =   1.12043
 trial     =   0.21676
 opt step  =   0.38941  (harmonic =   0.38941) maximal distance =0.06589229
 next E    = -4575.328160   (d E  =  -0.69016)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   73(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3160
 total energy-change (2. order) : 0.4132966E+00  (-0.2700079E+02)
 number of electron    2497.9999936 magnetization 
 augmentation part      162.6121962 magnetization 

  free energy =  -0.457477872962E+04  energy without entropy=  -0.457493125250E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   73(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3520
 total energy-change (2. order) :-0.5625498E+00  (-0.6784478E+00)
 number of electron    2497.9999936 magnetization 
 augmentation part      162.6328454 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8668
  0.8668

  free energy =  -0.457534127947E+04  energy without entropy=  -0.457549304965E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   73(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3720
 total energy-change (2. order) : 0.1893301E-01  (-0.1316407E-01)
 number of electron    2497.9999936 magnetization 
 augmentation part      162.6103765 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4328
  1.0782  1.7874

  free energy =  -0.457532234646E+04  energy without entropy=  -0.457547498757E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   73(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) :-0.4152857E-02  (-0.1189380E-01)
 number of electron    2497.9999936 magnetization 
 augmentation part      162.5913294 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2825
  2.2035  0.8220  0.8220

  free energy =  -0.457532649932E+04  energy without entropy=  -0.457547793842E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   73(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3640
 total energy-change (2. order) :-0.4398737E-03  (-0.2352673E-02)
 number of electron    2497.9999936 magnetization 
 augmentation part      162.5963960 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3175
  2.3827  0.9971  0.9971  0.8932

  free energy =  -0.457532693919E+04  energy without entropy=  -0.457547934723E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   73(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3528
 total energy-change (2. order) : 0.1044200E-02  (-0.1286755E-02)
 number of electron    2497.9999936 magnetization 
 augmentation part      162.5993441 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2319
  2.3985  1.0618  1.0618  0.8185  0.8185

  free energy =  -0.457532589499E+04  energy without entropy=  -0.457547757182E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   73(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) :-0.3604041E-04  (-0.2636383E-03)
 number of electron    2497.9999936 magnetization 
 augmentation part      162.5997704 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2183
  2.3793  0.9619  0.9619  1.2119  1.1821  0.6129

  free energy =  -0.457532593103E+04  energy without entropy=  -0.457547833554E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   73(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3528
 total energy-change (2. order) : 0.7018438E-04  (-0.3670597E-04)
 number of electron    2497.9999936 magnetization 
 augmentation part      162.6016142 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2238
  2.4607  1.0612  1.0612  1.3608  1.1957  0.8515  0.5759

  free energy =  -0.457532586085E+04  energy without entropy=  -0.457547802522E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   73(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3624
 total energy-change (2. order) :-0.1049694E-04  (-0.2836664E-04)
 number of electron    2497.9999936 magnetization 
 augmentation part      162.6009095 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2226
  2.5128  1.5837  1.0390  1.0390  1.1346  0.9460  0.9460  0.5793

  free energy =  -0.457532587135E+04  energy without entropy=  -0.457547803622E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   73(  10)  ---------------------------------------



 eigenvalue-minimisations  :  2808
 total energy-change (2. order) :-0.5631155E-05  (-0.3885738E-05)
 number of electron    2497.9999936 magnetization 
 augmentation part      162.6009095 magnetization 

  free energy =  -0.457532587698E+04  energy without entropy=  -0.457547806540E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0610       2 -56.1140       3 -56.0106       4 -55.8424       5 -55.8317
       6 -56.2872       7 -58.1627       8 -58.2385       9 -56.2543      10 -55.9220
      11 -56.0189      12 -55.7919      13 -55.8014      14 -55.9932      15 -58.1072
      16 -58.0547      17 -56.3545      18 -54.9705      19 -54.8523      20 -55.0839
      21 -55.6416      22 -55.5782      23 -55.6030      24 -55.6105      25 -55.0223
      26 -54.7326      27 -54.9243      28 -54.9665      29 -60.3969      30 -60.3623
      31 -55.6571      32 -55.7799      33 -55.6962      34 -55.3798      35 -55.4983
      36 -55.9887      37 -57.7941      38 -57.9617      39 -56.0757      40 -55.7749
      41 -55.8999      42 -55.6701      43 -55.7260      44 -55.9032      45 -58.1073
      46 -58.1058      47 -56.4539      48 -55.1184      49 -54.9302      50 -55.2755
      51 -55.8738      52 -55.8297      53 -55.7514      54 -55.7418      55 -55.0648
      56 -54.8522      57 -54.9933      58 -56.3778      59 -60.3603      60 -60.6062
      61 -55.9532      62 -55.9953      63 -55.8955      64 -55.7779      65 -55.7488
      66 -56.2171      67 -58.1378      68 -58.0997      69 -56.1894      70 -55.8656
      71 -55.9822      72 -55.6734      73 -55.6878      74 -55.9396      75 -58.0745
      76 -58.0674      77 -56.3608      78 -55.0824      79 -54.9043      80 -55.2081
      81 -55.8285      82 -55.8178      83 -55.8628      84 -55.9096      85 -55.2672
      86 -54.9959      87 -55.1902      88 -56.4005      89 -60.6572      90 -60.4049
      91 -55.7172      92 -55.8336      93 -55.7498      94 -55.5033      95 -55.5790
      96 -56.0887      97 -57.8967      98 -58.0004      99 -56.1877     100 -55.8815
     101 -56.0232     102 -55.6992     103 -55.7649     104 -55.9814     105 -58.1653
     106 -58.1555     107 -56.4393     108 -55.1617     109 -54.9751     110 -55.3942
     111 -55.9254     112 -55.8703     113 -55.7722     114 -55.8146     115 -55.0746
     116 -54.9052     117 -55.0167     118 -56.3305     119 -60.4634     120 -60.6093
     121 -55.9834     122 -55.9925     123 -55.8648     124 -55.7951     125 -55.7873
     126 -56.2110     127 -58.0849     128 -58.1690     129 -56.1723     130 -55.8023
     131 -55.9058     132 -55.7133     133 -55.6255     134 -55.8294     135 -57.9086
     136 -58.0200     137 -56.3817     138 -55.0500     139 -54.8988     140 -55.3208
     141 -55.8970     142 -55.8170     143 -55.8714     144 -55.8758     145 -55.1867
     146 -55.0654     147 -55.2190     148 -56.3862     149 -60.4946     150 -60.5577
     151 -55.6625     152 -55.7076     153 -55.5379     154 -55.4207     155 -55.4533
     156 -55.9103     157 -57.9582     158 -57.8757     159 -55.9934     160 -55.7193
     161 -55.8670     162 -55.5228     163 -55.5586     164 -55.7678     165 -57.9544
     166 -58.0839     167 -56.3742     168 -55.0242     169 -54.7968     170 -55.2206
     171 -55.8478     172 -55.8656     173 -55.8417     174 -55.7784     175 -55.3013
     176 -54.9245     177 -55.0634     178 -56.4889     179 -60.4453     180 -60.5834
     181 -55.8929     182 -56.0900     183 -55.9484     184 -55.6721     185 -55.6904
     186 -56.2578     187 -58.0361     188 -58.2351     189 -56.2844     190 -55.8802
     191 -56.0395     192 -55.7694     193 -55.7495     194 -55.9714     195 -58.0611
     196 -58.1751     197 -56.5180     198 -55.0913     199 -54.9177     200 -55.2944
     201 -55.8610     202 -55.8726     203 -55.9193     204 -55.9015     205 -55.1435
     206 -55.2094     207 -55.2119     208 -56.4804     209 -60.7147     210 -60.4471
     211 -56.0064     212 -56.0639     213 -55.9670     214 -55.8208     215 -55.7780
     216 -56.3081     217 -58.1578     218 -58.1499     219 -56.1673     220 -55.8364
     221 -55.9421     222 -55.5855     223 -55.5188     224 -55.8510     225 -57.9780
     226 -58.1083     227 -56.5157     228 -55.0532     229 -54.9438     230 -55.2561
     231 -55.7685     232 -55.7928     233 -55.7693     234 -55.7450     235 -55.0027
     236 -55.0946     237 -55.2275     238 -56.4689     239 -60.3334     240 -60.4141
     241 -55.9811     242 -56.0127     243 -55.8946     244 -55.7642     245 -55.7574
     246 -56.1905     247 -58.1179     248 -58.1302     249 -56.1817     250 -55.8677
     251 -55.9765     252 -55.7391     253 -55.7417     254 -55.9269     255 -58.0253
     256 -58.0331     257 -56.3392     258 -55.0350     259 -54.8204     260 -55.2331
     261 -55.7957     262 -55.8023     263 -55.8872     264 -55.9379     265 -55.3048
     266 -54.9664     267 -55.1886     268 -56.3802     269 -60.6109     270 -60.3623
     271 -55.8697     272 -55.9461     273 -55.7874     274 -55.6701     275 -55.6191
     276 -56.0577     277 -58.1133     278 -58.0858     279 -55.9437     280 -55.6438
     281 -55.7545     282 -55.5199     283 -55.5313     284 -55.8097     285 -58.0412
     286 -57.9781     287 -56.3948     288 -55.0492     289 -54.8678     290 -55.2109
     291 -55.8375     292 -55.7846     293 -55.8284     294 -55.8455     295 -55.2196
     296 -54.9435     297 -55.0420     298 -56.4291     299 -60.4967     300 -60.5521
     301 -55.9051     302 -56.0374     303 -55.9399     304 -55.6547     305 -55.6926
     306 -56.1984     307 -58.0786     308 -58.2403     309 -56.2220     310 -55.8946
     311 -55.9873     312 -55.7147     313 -55.6794     314 -55.8927     315 -57.9771
     316 -58.0740     317 -56.3804     318 -54.9927     319 -54.7929     320 -55.2633
     321 -55.7745     322 -55.7255     323 -55.8520     324 -55.9016     325 -55.2253
     326 -55.0579     327 -55.2244     328 -56.4259     329 -60.5745     330 -60.4317
     331 -55.7594     332 -55.7967     333 -55.6579     334 -55.5990     335 -55.5725
     336 -56.0145     337 -57.9744     338 -57.9362     339 -55.9354     340 -55.6225
     341 -55.7736     342 -55.5180     343 -55.5458     344 -55.7871     345 -57.9597
     346 -57.9605     347 -56.4818     348 -55.0104     349 -54.9415     350 -55.2944
     351 -55.8278     352 -55.7773     353 -55.7523     354 -55.7631     355 -55.2040
     356 -54.9177     357 -55.0072     358 -56.4298     359 -60.4641     360 -60.5542
     361 -39.1030     362 -38.8287     363 -38.9214     364 -39.0396     365 -38.9155
     366 -38.7488     367 -38.1320     368 -38.1762     369 -38.0351     370 -38.0936
     371 -38.1616     372 -38.1613     373 -38.7246     374 -38.3128     375 -38.6469
     376 -38.8215     377 -38.8273     378 -38.7375     379 -38.1493     380 -38.1734
     381 -38.2567     382 -38.0453     383 -38.2508     384 -38.0019     385 -38.8902
     386 -38.7912     387 -38.8316     388 -38.8827     389 -38.8433     390 -38.5715
     391 -38.2774     392 -38.2622     393 -38.1884     394 -38.1810     395 -38.2146
     396 -38.3616     397 -38.7291     398 -38.4340     399 -38.7227     400 -38.8894
     401 -38.7869     402 -38.7793     403 -38.2218     404 -38.2291     405 -38.4581
     406 -38.0965     407 -38.0536     408 -37.9420     409 -38.7926     410 -38.7739
     411 -38.9455     412 -38.7311     413 -38.9054     414 -38.6270     415 -38.2379
     416 -38.3366     417 -38.2170     418 -38.1187     419 -38.2377     420 -38.3988
     421 -38.6175     422 -38.3347     423 -38.5431     424 -38.7624     425 -38.5866
     426 -38.5763     427 -38.2639     428 -38.1512     429 -38.3313     430 -38.2506
     431 -38.0989     432 -38.0736     433 -38.8125     434 -38.6444     435 -38.9466
     436 -38.8013     437 -38.9435     438 -38.7215     439 -38.4188     440 -38.1313
     441 -38.1371     442 -38.1659     443 -38.2764     444 -38.1809     445 -38.8765
     446 -38.8403     447 -38.9193     448 -38.7518     449 -38.7721     450 -38.3886
     451 -38.0667     452 -37.9815     453 -38.1152     454 -37.9488     455 -38.1027
     456 -38.2555     457 -38.9195     458 -38.6963     459 -38.8383     460 -38.8941
     461 -38.8908     462 -38.7194     463 -38.1776     464 -38.3591     465 -38.1045
     466 -38.4545     467 -38.1937     468 -38.2550     469 -38.8926     470 -38.7147
     471 -38.7120     472 -38.8021     473 -38.5512     474 -38.4768     475 -38.2599
     476 -38.1251     477 -38.1755     478 -38.1595     479 -38.1777     480 -38.0222
     481 -38.9114     482 -38.7565     483 -38.8909     484 -38.8721     485 -38.9106
     486 -38.7482     487 -38.1275     488 -38.2154     489 -38.2740     490 -38.2701
     491 -38.2689     492 -38.3582     493 -38.8460     494 -38.4894     495 -38.6511
     496 -38.8008     497 -38.5745     498 -38.4970     499 -38.2020     500 -37.9995
     501 -38.2080     502 -38.1485     503 -38.1114     504 -38.0189     505 -38.1900
     506 -41.0912     507 -71.7112     508 -71.5864     509 -71.3923     510 -71.5703
     511 -71.5031     512 -71.5369     513 -71.3946     514 -71.5332     515 -71.6304
     516 -71.4888     517 -71.4076     518 -71.4509     519 -71.6150     520 -71.6458
     521 -71.5620     522 -71.5059     523 -71.5919     524 -71.5045     525 -71.5695
     526 -71.4474     527 -71.6502     528 -71.5567     529 -71.2541     530 -71.5405
     531 -76.8936     532 -76.8191     533 -76.6467     534 -76.7673     535 -76.6065
     536 -76.4139     537 -76.7652     538 -76.8196     539 -76.7461     540 -76.9298
     541 -76.6757     542 -76.7219     543 -76.6584     544 -76.5920     545 -76.8163
     546 -76.8939     547 -76.7952     548 -76.7138     549 -76.6199     550 -76.5148
     551 -76.5028     552 -76.6534     553 -76.8150     554 -76.6826     555 -76.7822
     556 -76.7302     557 -76.7808     558 -76.6911     559 -76.7761     560 -76.8627
     561 -76.7110     562 -76.5802     563 -76.7440     564 -76.7968     565 -76.6569
     566 -76.6782     567 -76.6959     568 -76.8253     569 -76.7339     570 -76.6642
     571 -76.8846     572 -76.7646     573 -76.6864     574 -76.6018     575 -76.5214
     576 -76.6028     577 -76.5934     578 -76.5330     579 -82.2805     580 -82.3450
     581 -82.2863     582 -82.3420     583 -82.2895     584 -82.3108     585 -82.5031
     586 -82.5254     587 -82.5438     588 -82.1669     589 -82.1471     590 -82.3719
     591 -82.3370     592 -82.1951     593 -82.3231     594 -82.5574     595 -82.5882
     596 -82.5716     597 -82.5673     598 -82.4528     599 -82.5238     600 -82.3153
     601 -82.2475     602 -82.3478     603 -82.4671     604 -82.3855     605 -82.4769
     606 -82.2592     607 -82.2714     608 -82.5786     609 -82.6375     610 -82.3341
     611 -82.4709     612 -82.4037     613 -82.3043     614 -82.2779     615 -82.4858
     616 -82.4474     617 -82.3331     618 -82.6317     619 -82.8020     620 -82.6076
     621 -82.2581     622 -82.4586     623 -82.2647     624 -82.1882     625 -82.4269
     626 -82.0666     627 -82.1470     628 -82.2695     629 -82.2808     630 -82.3327
     631 -82.7234     632 -82.4019     633 -82.4422     634 -82.5137     635 -82.4620
     636 -82.3344     637 -82.4654     638 -82.2910     639 -82.3115     640 -82.3941
     641 -82.3886     642 -82.3423     643 -82.5479     644 -82.4494     645 -82.4494
     646 -82.4334     647 -82.5618     648 -82.3570     649 -82.3829     650 -82.2742
 
 
 
 E-fermi :  -1.4729     XC(G=0):  -6.5216     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.1098      2.00000
      2     -28.8993      2.00000
      3     -28.8884      2.00000
      4     -28.8880      2.00000
      5     -28.8747      2.00000
      6     -28.8663      2.00000
      7     -28.8488      2.00000
      8     -28.8405      2.00000
      9     -28.8213      2.00000
     10     -28.8040      2.00000
     11     -28.7995      2.00000
     12     -28.7393      2.00000
     13     -28.7335      2.00000
     14     -28.7155      2.00000
     15     -28.7046      2.00000
     16     -28.7021      2.00000
     17     -28.6670      2.00000
     18     -28.6380      2.00000
     19     -28.6377      2.00000
     20     -28.6243      2.00000
     21     -28.6019      2.00000
     22     -28.5972      2.00000
     23     -28.5730      2.00000
     24     -28.5083      2.00000
     25     -26.8079      2.00000
     26     -26.7247      2.00000
     27     -26.6505      2.00000
     28     -26.6480      2.00000
     29     -26.6362      2.00000
     30     -26.6295      2.00000
     31     -26.5905      2.00000
     32     -26.5773      2.00000
     33     -26.5681      2.00000
     34     -26.5623      2.00000
     35     -26.5622      2.00000
     36     -26.5527      2.00000
     37     -26.5365      2.00000
     38     -26.5272      2.00000
     39     -26.5009      2.00000
     40     -26.4849      2.00000
     41     -26.4817      2.00000
     42     -26.4768      2.00000
     43     -26.4582      2.00000
     44     -26.4505      2.00000
     45     -26.4386      2.00000
     46     -26.4368      2.00000
     47     -26.4334      2.00000
     48     -26.4310      2.00000
     49     -26.4260      2.00000
     50     -26.4123      2.00000
     51     -26.4079      2.00000
     52     -26.4061      2.00000
     53     -26.3998      2.00000
     54     -26.3937      2.00000
     55     -26.3834      2.00000
     56     -26.3815      2.00000
     57     -26.3736      2.00000
     58     -26.3596      2.00000
     59     -26.3529      2.00000
     60     -26.3400      2.00000
     61     -26.3305      2.00000
     62     -26.3301      2.00000
     63     -26.3145      2.00000
     64     -26.2966      2.00000
     65     -26.2947      2.00000
     66     -26.2890      2.00000
     67     -26.2811      2.00000
     68     -26.2714      2.00000
     69     -26.2670      2.00000
     70     -26.2129      2.00000
     71     -26.1958      2.00000
     72     -26.0777      2.00000
     73     -23.2670      2.00000
     74     -23.2554      2.00000
     75     -23.2466      2.00000
     76     -23.2462      2.00000
     77     -23.1727      2.00000
     78     -23.1681      2.00000
     79     -23.1674      2.00000
     80     -23.1321      2.00000
     81     -23.1280      2.00000
     82     -23.0997      2.00000
     83     -23.0937      2.00000
     84     -23.0663      2.00000
     85     -23.0265      2.00000
     86     -23.0203      2.00000
     87     -23.0021      2.00000
     88     -22.9995      2.00000
     89     -22.9938      2.00000
     90     -22.9447      2.00000
     91     -22.9183      2.00000
     92     -22.9124      2.00000
     93     -22.8990      2.00000
     94     -22.8831      2.00000
     95     -22.8805      2.00000
     96     -22.8653      2.00000
     97     -22.8458      2.00000
     98     -22.8457      2.00000
     99     -22.8307      2.00000
    100     -22.7966      2.00000
    101     -22.7425      2.00000
    102     -22.7383      2.00000
    103     -22.7318      2.00000
    104     -22.6651      2.00000
    105     -22.6560      2.00000
    106     -22.6195      2.00000
    107     -22.5969      2.00000
    108     -22.5893      2.00000
    109     -22.5817      2.00000
    110     -22.5582      2.00000
    111     -22.5546      2.00000
    112     -22.5535      2.00000
    113     -22.5190      2.00000
    114     -22.4891      2.00000
    115     -22.4710      2.00000
    116     -22.4597      2.00000
    117     -22.4334      2.00000
    118     -22.3991      2.00000
    119     -22.3878      2.00000
    120     -22.3384      2.00000
    121     -20.5060      2.00000
    122     -20.4107      2.00000
    123     -20.3738      2.00000
    124     -20.3621      2.00000
    125     -20.3616      2.00000
    126     -20.3491      2.00000
    127     -20.3397      2.00000
    128     -20.3367      2.00000
    129     -20.3299      2.00000
    130     -20.3219      2.00000
    131     -20.3061      2.00000
    132     -20.3010      2.00000
    133     -20.2905      2.00000
    134     -20.2869      2.00000
    135     -20.2813      2.00000
    136     -20.2730      2.00000
    137     -20.2449      2.00000
    138     -20.2361      2.00000
    139     -20.2127      2.00000
    140     -20.1879      2.00000
    141     -20.1418      2.00000
    142     -20.1169      2.00000
    143     -20.0784      2.00000
    144     -20.0090      2.00000
    145     -18.6528      2.00000
    146     -18.5276      2.00000
    147     -18.5266      2.00000
    148     -18.5095      2.00000
    149     -18.5052      2.00000
    150     -18.4520      2.00000
    151     -18.4473      2.00000
    152     -18.4360      2.00000
    153     -18.4271      2.00000
    154     -18.4238      2.00000
    155     -18.3883      2.00000
    156     -18.3621      2.00000
    157     -18.3299      2.00000
    158     -18.2656      2.00000
    159     -18.2531      2.00000
    160     -18.2263      2.00000
    161     -18.2229      2.00000
    162     -18.2004      2.00000
    163     -18.1777      2.00000
    164     -18.1585      2.00000
    165     -18.1483      2.00000
    166     -18.1415      2.00000
    167     -18.1126      2.00000
    168     -18.0764      2.00000
    169     -17.9397      2.00000
    170     -17.9364      2.00000
    171     -17.9180      2.00000
    172     -17.8899      2.00000
    173     -17.8623      2.00000
    174     -17.8502      2.00000
    175     -17.8259      2.00000
    176     -17.8196      2.00000
    177     -17.8001      2.00000
    178     -17.7716      2.00000
    179     -17.7484      2.00000
    180     -17.7354      2.00000
    181     -17.5958      2.00000
    182     -17.5793      2.00000
    183     -17.5499      2.00000
    184     -17.5243      2.00000
    185     -17.5183      2.00000
    186     -17.5055      2.00000
    187     -17.4958      2.00000
    188     -17.4889      2.00000
    189     -17.4752      2.00000
    190     -17.4569      2.00000
    191     -17.4424      2.00000
    192     -17.4380      2.00000
    193     -16.7499      2.00000
    194     -16.7168      2.00000
    195     -16.7083      2.00000
    196     -16.6755      2.00000
    197     -16.6661      2.00000
    198     -16.6265      2.00000
    199     -16.5788      2.00000
    200     -16.5698      2.00000
    201     -16.5298      2.00000
    202     -16.5064      2.00000
    203     -16.4996      2.00000
    204     -16.4776      2.00000
    205     -16.1678      2.00000
    206     -16.1646      2.00000
    207     -16.1579      2.00000
    208     -16.1268      2.00000
    209     -16.0791      2.00000
    210     -16.0606      2.00000
    211     -16.0063      2.00000
    212     -15.9806      2.00000
    213     -15.9515      2.00000
    214     -15.9095      2.00000
    215     -15.8924      2.00000
    216     -15.8033      2.00000
    217     -15.7514      2.00000
    218     -15.6620      2.00000
    219     -15.6268      2.00000
    220     -15.6235      2.00000
    221     -15.6007      2.00000
    222     -15.5888      2.00000
    223     -15.5747      2.00000
    224     -15.5715      2.00000
    225     -15.5566      2.00000
    226     -15.5532      2.00000
    227     -15.5072      2.00000
    228     -15.4791      2.00000
    229     -15.4467      2.00000
    230     -15.4386      2.00000
    231     -15.4370      2.00000
    232     -15.4316      2.00000
    233     -15.4225      2.00000
    234     -15.4179      2.00000
    235     -15.4073      2.00000
    236     -15.4032      2.00000
    237     -15.3992      2.00000
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   1372       3.7993     -0.00000
   1373       3.8370     -0.00000
   1374       3.8467     -0.00000
   1375       3.8579      0.00000
   1376       3.8867      0.00000
   1377       3.8952      0.00000
   1378       3.9143      0.00000
   1379       3.9227      0.00000
   1380       3.9425      0.00000
   1381       3.9477      0.00000
   1382       3.9608      0.00000
   1383       3.9699      0.00000
   1384       3.9863      0.00000
   1385       3.9971      0.00000
   1386       4.0115      0.00000
   1387       4.0191      0.00000
   1388       4.0297      0.00000
   1389       4.0406      0.00000
   1390       4.0482      0.00000
   1391       4.0612      0.00000
   1392       4.0709      0.00000
   1393       4.0941      0.00000
   1394       4.1036      0.00000
   1395       4.1113      0.00000
   1396       4.1206      0.00000
   1397       4.1355      0.00000
   1398       4.1420      0.00000
   1399       4.1602      0.00000
   1400       4.1753      0.00000
   1401       4.1889      0.00000
   1402       4.2138      0.00000
   1403       4.2229      0.00000
   1404       4.2391      0.00000
   1405       4.2451      0.00000
   1406       4.2526      0.00000
   1407       4.2719      0.00000
   1408       4.2839      0.00000
   1409       4.3029      0.00000
   1410       4.3208      0.00000
   1411       4.3303      0.00000
   1412       4.3441      0.00000
   1413       4.3496      0.00000
   1414       4.3717      0.00000
   1415       4.3867      0.00000
   1416       4.4018      0.00000
   1417       4.4168      0.00000
   1418       4.4225      0.00000
   1419       4.4371      0.00000
   1420       4.4446      0.00000
   1421       4.4594      0.00000
   1422       4.4634      0.00000
   1423       4.4779      0.00000
   1424       4.5026      0.00000
   1425       4.5188      0.00000
   1426       4.5368      0.00000
   1427       4.5479      0.00000
   1428       4.5595      0.00000
   1429       4.5911      0.00000
   1430       4.6093      0.00000
   1431       4.6337      0.00000
   1432       4.6535      0.00000
   1433       4.6769      0.00000
   1434       4.7043      0.00000
   1435       4.7463      0.00000
   1436       4.7770      0.00000
   1437       4.7957      0.00000
   1438       4.8049      0.00000
   1439       4.8261      0.00000
   1440       4.8372      0.00000
   1441       4.8693      0.00000
   1442       4.8713      0.00000
   1443       4.9167      0.00000
   1444       4.9298      0.00000
   1445       4.9315      0.00000
   1446       4.9440      0.00000
   1447       4.9688      0.00000
   1448       4.9772      0.00000
   1449       4.9996      0.00000
   1450       5.0178      0.00000
   1451       5.0323      0.00000
   1452       5.0384      0.00000
   1453       5.0602      0.00000
   1454       5.0807      0.00000
   1455       5.0993      0.00000
   1456       5.1045      0.00000
   1457       5.1299      0.00000
   1458       5.1370      0.00000
   1459       5.1475      0.00000
   1460       5.1733      0.00000
   1461       5.1884      0.00000
   1462       5.2051      0.00000
   1463       5.2162      0.00000
   1464       5.2353      0.00000
   1465       5.2379      0.00000
   1466       5.2535      0.00000
   1467       5.2614      0.00000
   1468       5.2790      0.00000
   1469       5.2887      0.00000
   1470       5.3045      0.00000
   1471       5.3144      0.00000
   1472       5.3218      0.00000
   1473       5.3353      0.00000
   1474       5.3405      0.00000
   1475       5.3558      0.00000
   1476       5.3568      0.00000
   1477       5.3681      0.00000
   1478       5.3741      0.00000
   1479       5.3779      0.00000
   1480       5.3974      0.00000
   1481       5.4014      0.00000
   1482       5.4213      0.00000
   1483       5.4228      0.00000
   1484       5.4282      0.00000
   1485       5.4328      0.00000
   1486       5.4427      0.00000
   1487       5.4513      0.00000
   1488       5.4748      0.00000
   1489       5.4768      0.00000
   1490       5.4818      0.00000
   1491       5.4960      0.00000
   1492       5.5020      0.00000
   1493       5.5078      0.00000
   1494       5.5158      0.00000
   1495       5.5262      0.00000
   1496       5.5302      0.00000
   1497       5.5405      0.00000
   1498       5.5520      0.00000
   1499       5.5590      0.00000
   1500       5.5687      0.00000
   1501       5.5694      0.00000
   1502       5.5908      0.00000
   1503       5.5979      0.00000
   1504       5.6027      0.00000
   1505       5.6086      0.00000
   1506       5.6226      0.00000
   1507       5.6326      0.00000
   1508       5.6360      0.00000
   1509       5.6409      0.00000
   1510       5.6508      0.00000
   1511       5.6574      0.00000
   1512       5.6648      0.00000
   1513       5.6808      0.00000
   1514       5.7014      0.00000
   1515       5.7099      0.00000
   1516       5.7176      0.00000
   1517       5.7211      0.00000
   1518       5.7273      0.00000
   1519       5.7411      0.00000
   1520       5.7509      0.00000
   1521       5.7541      0.00000
   1522       5.7713      0.00000
   1523       5.7772      0.00000
   1524       5.7896      0.00000
   1525       5.8051      0.00000
   1526       5.8119      0.00000
   1527       5.8170      0.00000
   1528       5.8290      0.00000
   1529       5.8498      0.00000
   1530       5.8568      0.00000
   1531       5.8641      0.00000
   1532       5.8709      0.00000
   1533       5.8728      0.00000
   1534       5.8860      0.00000
   1535       5.8926      0.00000
   1536       5.8986      0.00000
   1537       5.9147      0.00000
   1538       5.9220      0.00000
   1539       5.9327      0.00000
   1540       5.9334      0.00000
   1541       5.9678      0.00000
   1542       5.9757      0.00000
   1543       5.9808      0.00000
   1544       5.9880      0.00000
   1545       5.9907      0.00000
   1546       6.0028      0.00000
   1547       6.0063      0.00000
   1548       6.0197      0.00000
   1549       6.0270      0.00000
   1550       6.0383      0.00000
   1551       6.0454      0.00000
   1552       6.0515      0.00000
   1553       6.0548      0.00000
   1554       6.0686      0.00000
   1555       6.0752      0.00000
   1556       6.0866      0.00000
   1557       6.0940      0.00000
   1558       6.1051      0.00000
   1559       6.1105      0.00000
   1560       6.1288      0.00000
   1561       6.1402      0.00000
   1562       6.1445      0.00000
   1563       6.1505      0.00000
   1564       6.1574      0.00000
   1565       6.1721      0.00000
   1566       6.1769      0.00000
   1567       6.1911      0.00000
   1568       6.2004      0.00000
   1569       6.2030      0.00000
   1570       6.2197      0.00000
   1571       6.2244      0.00000
   1572       6.2326      0.00000
   1573       6.2341      0.00000
   1574       6.2421      0.00000
   1575       6.2475      0.00000
   1576       6.2654      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.089  13.413  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.413  17.833  -0.001   0.002  -0.000   0.002  -0.006   0.001
 -0.001  -0.001  -4.234   0.003   0.001   8.282  -0.005  -0.001
  0.001   0.002   0.003  -4.234   0.001  -0.005   8.281  -0.001
 -0.000  -0.000   0.001   0.001  -4.227  -0.001  -0.001   8.273
  0.002   0.002   8.282  -0.005  -0.001 -18.330   0.007   0.001
 -0.004  -0.006  -0.005   8.281  -0.001   0.007 -18.325   0.000
  0.000   0.001  -0.001  -0.001   8.273   0.001   0.000 -18.320
 total augmentation occupancy for first ion, spin component:           1
  8.406  -3.779   0.184   0.149  -0.049   0.023   0.028  -0.008
 -3.779   1.772  -0.097  -0.101   0.028  -0.010  -0.017   0.004
  0.184  -0.097   1.773  -0.060  -0.039   0.168  -0.012  -0.007
  0.149  -0.101  -0.060   1.891  -0.092  -0.012   0.176  -0.013
 -0.049   0.028  -0.039  -0.092   1.226  -0.008  -0.013   0.081
  0.023  -0.010   0.168  -0.012  -0.008   0.018  -0.002  -0.001
  0.028  -0.017  -0.012   0.176  -0.013  -0.002   0.018  -0.002
 -0.008   0.004  -0.007  -0.013   0.081  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -49754.22405 87579.55931 21103.02839-10025.04588  6235.12110 18795.15812
  Hartree  5934.96518114538.85813 58983.56283-10470.90672  4185.09297 13052.00327
  E(xc)  -10733.68812-10586.39817-10628.11458     2.83376     8.29823    33.51148
  Local   10391.11117************************ 20493.71187-10434.03628-31246.18100
  n-local -5841.70450 -5979.34955 -6033.36133     4.86068    15.72721   -65.24133
  augment  1493.03584  1535.51603  1487.42811     4.56296    12.56123    -3.53013
  Kinetic 45480.13110 43247.98308 43645.37644   -31.81193   -69.43502  -579.38594
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -122.5146605   -401.5641063   -167.1875359    -21.7952664    -46.6705569    -13.6655329
  in kB      -20.4303003    -66.9640290    -27.8798598     -3.6345351     -7.7826889     -2.2788370
  external PRESSURE =     -38.4247297 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.225E+03 -.106E+03 0.245E+03   0.226E+03 0.107E+03 -.246E+03   -.107E+00 -.409E+00 0.151E+01   0.132E-02 0.131E-02 -.112E-03
   -.184E+03 -.133E+03 0.608E+02   0.184E+03 0.134E+03 -.604E+02   0.226E+00 -.120E+01 -.267E+00   0.125E-02 0.143E-02 0.106E-03
   -.152E+03 -.124E+03 0.598E+01   0.151E+03 0.125E+03 -.445E+01   0.444E+00 -.128E+01 -.168E+01   0.120E-02 0.783E-03 0.226E-03
   -.211E+03 -.921E+02 0.330E+03   0.212E+03 0.921E+02 -.333E+03   -.363E+00 0.123E+00 0.246E+01   0.177E-02 0.472E-03 0.637E-04
   -.159E+03 -.145E+03 0.296E+03   0.159E+03 0.145E+03 -.297E+03   0.158E+00 -.711E+00 0.109E+01   0.185E-02 0.280E-03 0.622E-03
   -.137E+03 -.110E+03 0.167E+03   0.137E+03 0.111E+03 -.167E+03   0.103E+00 -.118E+00 0.189E+00   0.129E-02 0.259E-03 0.486E-03
   -.228E+03 -.130E+03 0.173E+03   0.227E+03 0.135E+03 -.174E+03   0.448E+00 -.435E+01 0.938E+00   0.134E-02 0.159E-02 -.645E-03
   -.182E+03 -.103E+03 0.304E+02   0.182E+03 0.107E+03 -.324E+02   -.660E+00 -.402E+01 0.198E+01   0.138E-02 0.192E-02 0.169E-03
   -.968E+02 0.481E+01 0.194E+03   0.967E+02 -.482E+01 -.194E+03   0.140E+00 -.176E-02 0.142E+00   0.115E-02 -.154E-03 0.260E-03
   -.784E+02 0.877E+02 0.615E+02   0.780E+02 -.892E+02 -.603E+02   0.394E+00 0.160E+01 -.120E+01   0.103E-02 -.626E-03 -.385E-03
   -.823E+02 0.103E+03 0.132E+03   0.820E+02 -.104E+03 -.132E+03   0.256E+00 0.109E+01 -.324E-01   0.848E-03 -.128E-02 -.442E-03
   -.965E+02 -.398E+01 0.328E+03   0.966E+02 0.371E+01 -.329E+03   -.224E-01 0.184E+00 0.113E+01   0.133E-02 -.430E-03 0.464E-03
   -.105E+03 -.460E+02 0.355E+03   0.106E+03 0.470E+02 -.358E+03   -.325E+00 -.108E+01 0.218E+01   0.114E-02 -.147E-02 0.232E-03
   -.103E+03 0.183E+02 0.299E+03   0.103E+03 -.185E+02 -.300E+03   0.482E-01 -.119E-01 0.154E+01   0.870E-03 -.184E-02 -.191E-03
   -.999E+02 0.103E+03 0.261E+03   0.992E+02 -.106E+03 -.264E+03   0.516E+00 0.402E+01 0.237E+01   0.688E-03 -.244E-02 0.206E-03
   -.800E+02 0.117E+03 0.966E+02   0.798E+02 -.120E+03 -.993E+02   0.216E-01 0.302E+01 0.338E+01   0.693E-03 -.160E-02 0.200E-03
   -.644E+02 0.104E+03 0.507E+02   0.649E+02 -.999E+02 -.467E+02   -.510E+00 -.465E+01 -.436E+01   0.977E-03 -.979E-03 0.582E-03
   0.138E+01 0.203E+03 -.150E+03   -.186E+01 -.204E+03 0.152E+03   0.375E+00 0.205E+01 -.194E+01   0.881E-03 -.654E-03 0.136E-02
   0.359E+02 0.152E+03 -.196E+03   -.363E+02 -.153E+03 0.197E+03   0.367E+00 0.312E+00 -.179E+01   0.107E-02 -.398E-03 0.203E-02
   -.642E+02 0.102E+03 0.179E+03   0.652E+02 -.101E+03 -.182E+03   -.111E+01 -.852E+00 0.321E+01   0.110E-02 -.461E-03 0.984E-03
   0.574E+01 0.649E+02 0.355E+01   -.699E+01 -.665E+02 -.221E+01   0.123E+01 0.145E+01 -.125E+01   0.135E-02 0.740E-05 0.117E-02
   0.171E+02 0.105E+02 -.122E+03   -.171E+02 -.108E+02 0.122E+03   -.805E-02 0.116E+00 -.106E+01   0.119E-02 0.186E-03 0.187E-02
   -.183E+02 -.391E+02 -.172E+03   0.187E+02 0.394E+02 0.172E+03   -.283E+00 -.167E+00 0.542E+00   0.110E-02 -.168E-04 0.183E-02
   -.313E+02 -.794E+02 -.229E+03   0.324E+02 0.811E+02 0.228E+03   -.114E+01 -.158E+01 0.108E+01   0.128E-02 -.224E-03 0.168E-02
   -.126E+02 -.160E+03 -.332E+03   0.120E+02 0.161E+03 0.334E+03   0.575E+00 -.585E+00 -.169E+01   0.107E-02 -.130E-03 0.168E-02
   -.972E+02 -.162E+03 -.156E+03   0.984E+02 0.162E+03 0.155E+03   -.115E+01 -.230E-01 0.167E+01   0.107E-02 -.228E-03 0.146E-02
   -.891E+02 -.276E+03 -.187E+03   0.894E+02 0.276E+03 0.187E+03   -.405E+00 -.789E+00 0.279E+00   0.682E-03 -.353E-03 0.143E-02
   -.348E+02 -.263E+03 -.283E+03   0.347E+02 0.265E+03 0.283E+03   0.189E+00 -.128E+01 -.499E+00   0.689E-03 0.488E-04 0.183E-02
   -.407E+02 -.263E+02 -.221E+03   0.464E+02 0.343E+02 0.217E+03   -.583E+01 -.797E+01 0.472E+01   0.142E-02 -.589E-03 0.156E-02
   0.108E+01 0.522E+02 0.230E+02   -.608E+01 -.608E+02 -.182E+02   0.480E+01 0.864E+01 -.476E+01   0.172E-02 0.144E-03 0.185E-02
   -.189E+03 -.246E+02 -.474E+02   0.189E+03 0.250E+02 0.491E+02   -.308E+00 -.296E-01 -.163E+01   0.717E-03 0.150E-02 -.296E-03
   -.125E+03 -.144E+03 0.135E+03   0.125E+03 0.145E+03 -.135E+03   0.215E-02 -.129E+01 -.234E+00   0.361E-03 0.137E-02 -.169E-03
   -.132E+03 -.155E+03 0.189E+03   0.132E+03 0.157E+03 -.190E+03   0.402E+00 -.183E+01 0.116E+01   -.490E-04 0.872E-03 -.456E-03
   -.286E+03 0.106E+02 -.172E+03   0.286E+03 -.120E+02 0.175E+03   -.745E-01 0.155E+01 -.256E+01   0.135E-02 0.137E-02 -.787E-04
   -.281E+03 -.612E+02 -.186E+03   0.281E+03 0.613E+02 0.187E+03   -.196E-01 -.155E+00 -.120E+01   0.127E-02 0.632E-03 -.115E-03
   -.199E+03 -.718E+02 0.751E+01   0.199E+03 0.717E+02 -.751E+01   0.263E+00 0.130E+00 0.257E-01   0.316E-03 0.374E-03 -.475E-03
   -.103E+03 -.463E+02 -.142E+02   0.104E+03 0.495E+02 0.172E+02   -.875E+00 -.403E+01 -.260E+01   0.450E-03 0.151E-02 -.539E-03
   -.666E+02 -.135E+03 0.111E+03   0.668E+02 0.139E+03 -.107E+03   -.844E-01 -.307E+01 -.359E+01   0.250E-03 0.126E-02 0.111E-03
   -.175E+03 0.489E+02 0.686E+01   0.175E+03 -.493E+02 -.697E+01   0.970E-01 0.226E+00 0.668E-02   -.724E-04 -.946E-04 -.519E-03
   -.935E+02 0.536E+02 0.209E+03   0.932E+02 -.547E+02 -.211E+03   0.325E+00 0.119E+01 0.184E+01   -.570E-03 -.528E-03 -.768E-03
   -.678E+02 0.753E+02 0.121E+03   0.678E+02 -.768E+02 -.121E+03   -.141E+00 0.133E+01 0.392E+00   -.778E-03 -.111E-02 -.254E-03
   -.210E+03 0.934E+02 -.217E+03   0.211E+03 -.943E+02 0.218E+03   -.883E-01 0.890E+00 -.896E+00   0.292E-03 -.940E-04 0.107E-03
   -.175E+03 0.460E+02 -.290E+03   0.175E+03 -.460E+02 0.292E+03   0.649E-01 0.219E+00 -.222E+01   0.452E-05 -.236E-03 0.377E-03
   -.107E+03 0.574E+02 -.144E+03   0.107E+03 -.582E+02 0.146E+03   -.341E+00 0.753E+00 -.133E+01   -.618E-03 -.772E-03 0.393E-03
   -.545E+02 0.999E+02 -.762E+02   0.545E+02 -.105E+03 0.762E+02   0.109E+00 0.463E+01 -.466E+00   -.897E-03 -.981E-03 0.751E-03
   -.176E+02 0.781E+02 0.139E+03   0.172E+02 -.825E+02 -.137E+03   0.567E+00 0.434E+01 -.192E+01   -.108E-02 -.148E-02 -.696E-03
   0.270E+02 0.457E+02 0.105E+03   -.256E+02 -.401E+02 -.107E+03   -.126E+01 -.561E+01 0.187E+01   -.852E-03 -.559E-03 0.484E-03
   -.168E+02 0.131E+03 0.266E+03   0.178E+02 -.132E+03 -.268E+03   -.945E+00 0.134E+01 0.229E+01   -.413E-03 -.421E-03 -.896E-04
   -.373E+02 0.121E+03 0.227E+03   0.383E+02 -.121E+03 -.229E+03   -.921E+00 -.262E+00 0.207E+01   -.582E-03 -.645E-03 -.724E-04
   0.519E+02 0.681E+02 -.375E+02   -.530E+02 -.682E+02 0.405E+02   0.110E+01 0.206E+00 -.296E+01   -.105E-02 0.146E-03 0.146E-02
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   -.410E+03 -.393E+03 -.394E+02   0.389E+03 0.436E+03 0.241E+02   0.209E+02 -.435E+02 0.153E+02   0.300E-02 -.163E-03 0.164E-02
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   -.168E+03 -.420E+03 -.168E+03   0.184E+03 0.470E+03 0.177E+03   -.158E+02 -.499E+02 -.959E+01   -.469E-02 -.119E-02 -.366E-03
   0.585E+03 0.131E+03 0.666E+01   -.635E+03 -.128E+03 -.133E+02   0.502E+02 -.302E+01 0.663E+01   -.422E-02 -.673E-05 0.207E-02
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   -.425E+03 0.344E+03 -.843E+02   0.456E+03 -.384E+03 0.976E+02   -.315E+02 0.402E+02 -.134E+02   -.792E-03 0.176E-02 0.700E-03
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   0.510E+03 -.204E+03 0.105E+03   -.536E+03 0.238E+03 -.718E+02   0.259E+02 -.335E+02 -.325E+02   -.491E-03 0.241E-02 0.212E-02
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   0.777E+03 0.169E+03 0.470E+03   -.817E+03 -.187E+03 -.503E+03   0.395E+02 0.178E+02 0.326E+02   -.649E-03 0.266E-02 0.300E-02
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   0.412E+02 -.387E+03 0.504E+02   -.675E+02 0.429E+03 -.300E+02   0.264E+02 -.421E+02 -.204E+02   0.143E-02 0.405E-03 -.163E-02
   -.602E+02 0.110E+03 -.277E+02   0.636E+02 -.142E+03 0.695E+02   -.359E+01 0.319E+02 -.420E+02   -.610E-03 0.237E-02 -.189E-02
   0.760E+03 -.176E+03 0.766E+02   -.799E+03 0.206E+03 -.977E+02   0.391E+02 -.308E+02 0.213E+02   -.562E-03 0.323E-02 -.160E-02
   0.167E+03 0.308E+03 0.236E+03   -.143E+03 -.328E+03 -.277E+03   -.245E+02 0.199E+02 0.407E+02   0.383E-03 0.266E-02 -.239E-02
   0.669E+03 0.368E+03 0.164E+03   -.697E+03 -.407E+03 -.145E+03   0.286E+02 0.400E+02 -.199E+02   0.922E-03 0.369E-02 -.117E-02
   0.645E+03 -.164E+03 -.398E+03   -.646E+03 0.177E+03 0.450E+03   0.318E+00 -.128E+02 -.521E+02   0.156E-02 0.140E-02 0.580E-03
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   -.189E+02 0.492E+03 -.690E+02   0.961E+01 -.545E+03 0.724E+02   0.927E+01 0.529E+02 -.336E+01   -.441E-02 0.257E-02 0.113E-02
   -.251E+03 -.720E+02 0.189E+03   0.279E+03 0.797E+02 -.233E+03   -.273E+02 -.787E+01 0.443E+02   -.524E-02 0.203E-02 0.150E-02
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   0.441E+02 -.421E+03 -.308E+03   -.537E+02 0.449E+03 0.352E+03   0.957E+01 -.279E+02 -.442E+02   -.302E-02 -.294E-02 -.335E-04
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   0.385E+03 -.706E+02 -.619E+03   -.418E+03 0.841E+02 0.658E+03   0.329E+02 -.133E+02 -.389E+02   -.257E-03 -.203E-03 0.321E-02
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   0.235E+03 0.146E+03 0.152E+03   -.266E+03 -.151E+03 -.196E+03   0.306E+02 0.515E+01 0.444E+02   0.217E-02 -.277E-03 0.215E-02
   -.238E+03 -.188E+03 -.381E+03   0.278E+03 0.195E+03 0.416E+03   -.394E+02 -.665E+01 -.348E+02   -.235E-02 -.170E-02 0.146E-03
   0.227E+03 0.328E+03 -.230E+03   -.240E+03 -.376E+03 0.244E+03   0.131E+02 0.482E+02 -.142E+02   -.106E-02 -.766E-03 0.202E-02
   -.685E+02 -.911E+02 0.135E+03   0.910E+02 0.876E+02 -.183E+03   -.225E+02 0.339E+01 0.481E+02   -.107E-02 -.684E-03 0.203E-02
   -.216E+03 -.422E+03 0.382E+03   0.238E+03 0.456E+03 -.416E+03   -.221E+02 -.338E+02 0.345E+02   0.790E-03 0.342E-02 -.985E-03
   0.130E+03 -.455E+03 -.206E+03   -.147E+03 0.482E+03 0.245E+03   0.172E+02 -.268E+02 -.398E+02   -.413E-03 -.161E-02 -.220E-03
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   0.903E+02 -.220E+03 0.794E+03   -.109E+03 0.249E+03 -.835E+03   0.193E+02 -.289E+02 0.410E+02   0.510E-02 0.143E-02 -.516E-03
   -.131E+03 0.185E+03 0.531E+03   0.170E+03 -.214E+03 -.552E+03   -.394E+02 0.283E+02 0.203E+02   0.281E-02 0.741E-03 -.899E-03
   0.213E+03 0.370E+03 0.397E+03   -.252E+03 -.402E+03 -.389E+03   0.391E+02 0.314E+02 -.818E+01   0.294E-02 -.150E-03 0.103E-02
 -----------------------------------------------------------------------------------------------
   0.281E+02 0.173E+01 -.219E+02   0.336E-10 0.273E-11 -.227E-11   -.280E+02 -.172E+01 0.219E+02   -.766E-01 -.365E-02 0.261E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.15225      3.14734      1.33640         0.050853      0.118884      0.042902
     12.91566      3.58698      2.63728         0.010110      0.025743      0.049972
     12.86252      4.94673      2.96848         0.091180     -0.093389     -0.151793
     13.20247      4.07477      0.29867        -0.024488      0.116081      0.059161
     13.06519      5.43244      0.61217         0.074480      0.031963     -0.034815
     12.97855      5.92213      1.94021         0.033465      0.070940      0.066495
     13.29613      1.66301      1.35042        -0.100994      0.200763     -0.017148
     12.71827      2.37955      3.50149        -0.047040      0.103193      0.033083
     13.07089      7.40544      2.21213         0.048431     -0.004114     -0.015140
     13.08663      7.95585      3.52061        -0.011885      0.096124     -0.071185
     13.30967      9.32502      3.69878         0.041160     -0.005318     -0.110173
     13.23845      8.32503      1.14326         0.063085     -0.088587     -0.073048
     13.46530      9.69492      1.32431        -0.064714     -0.102861     -0.047109
     13.51408     10.19199      2.62534         0.056848     -0.198821      0.098057
     13.76890     11.56069      3.15137        -0.122179      0.301852      0.098769
     13.38457     10.12332      4.96025        -0.145101     -0.381216      0.745852
     13.75464     12.58098      5.52378        -0.016100     -0.186838     -0.357470
     13.49766     12.44521      6.88759        -0.103261      0.269577      0.191726
     13.54571     13.54923      7.73662        -0.009620      0.104419      0.022066
     14.10180     13.86898      5.09274        -0.016537      0.112504      0.010842
     14.15220     14.97361      5.96226        -0.023605     -0.078652      0.088372
     13.84913     14.87180      7.37027        -0.037950     -0.248501     -0.370031
     13.88886     15.97249      8.40929         0.102645      0.133768      0.033023
     13.23539     16.01570      9.69235        -0.003314      0.157395      0.114552
     13.31230     17.16746     10.50137        -0.005865      0.129876      0.062134
     14.65031     17.12642      8.13901         0.039317      0.110978      0.074628
     14.65747     18.29104      8.89992        -0.026119      0.038715      0.089340
     13.95055     18.34139     10.09579         0.087793     -0.046657     -0.017488
     12.42370     14.90471     10.32274        -0.075801      0.048280     -0.003034
     14.71943     16.19657      5.27966        -0.204424      0.013203     -0.014904
      9.83113      3.84035      4.71752         0.036876      0.327566      0.075138
      9.71742      4.76800      3.68386        -0.036893      0.082552     -0.030861
      9.74966      6.15512      3.92935         0.081094     -0.265649      0.149390
     10.05494      4.26752      6.02377         0.017691      0.134536     -0.083261
     10.12654      5.64062      6.27286         0.107346     -0.078160     -0.068736
      9.96483      6.62589      5.25860        -0.004851      0.064686      0.023569
      9.61878      2.47558      4.18919        -0.031954     -0.818064      0.395016
      9.57963      3.98885      2.39788         0.042855      0.230422      0.038707
     10.03188      8.08998      5.64434         0.006572     -0.100433     -0.097129
     10.06809      9.14448      4.69360         0.021138      0.083052      0.121018
     10.19001     10.46786      5.12778        -0.142917     -0.145566      0.158096
     10.04646      8.47292      7.01327         0.023574     -0.032966     -0.165027
     10.11209      9.80244      7.44453         0.069709      0.161479     -0.099565
     10.21147     10.81089      6.48204        -0.039969     -0.099813     -0.104643
     10.27931     12.30028      6.60000         0.106680     -0.398697     -0.539377
     10.26877     11.72157      4.32746         0.186575     -0.013791     -0.197062
     10.70133     14.16722      4.87248         0.167117     -0.064922     -0.090514
     11.23686     14.49118      3.62083         0.060417      0.278919     -0.031622
     11.60890     15.80274      3.31806         0.074970      0.097779      0.032360
     10.56807     15.24625      5.75807         0.004497      0.149402      0.025696
     10.94990     16.57293      5.44687         0.172136     -0.112547      0.168143
     11.53344     16.93162      4.16571        -0.064374     -0.147205      0.170873
     12.05015     18.30342      3.70817         0.029101      0.129170     -0.215782
     12.65351     18.70164      2.44417        -0.045049     -0.104984      0.051108
     12.97283     20.05060      2.18371        -0.120847     -0.221600     -0.143781
     11.93944     19.40854      4.57883         0.009925      0.109464     -0.031031
     12.21483     20.74975      4.30792        -0.019037     -0.164147      0.080276
     12.71288     21.11628      3.05703        -0.105211      0.000158      0.073320
     13.11661     17.80446      1.27716         0.105284      0.347752      0.060335
     10.78024     17.48840      6.66055        -0.101464     -0.180476     -0.132982
     10.55544      7.06608     14.76191         0.085478      0.012335     -0.092663
     10.47202      7.49231     16.08658         0.028493     -0.180049     -0.101978
     10.48105      8.84401     16.43338         0.138154      0.581586     -0.291143
     10.56604      8.00351     13.73469        -0.042474      0.338408      0.016068
     10.50343      9.36764     14.07097        -0.031046      0.015926     -0.108689
     10.51080      9.85283     15.40502         0.093849     -0.258603      0.328110
     10.58338      5.56973     14.70818        -0.359321      0.957252      1.262030
     10.31238      6.26316     16.93705        -0.015627     -0.002981     -0.176888
     10.57082     11.35611     15.66411         0.080305     -0.197367      0.098104
     10.64291     11.96048     16.95214        -0.012063     -0.027428     -0.031751
     10.73428     13.35537     17.06883         0.056644      0.006737     -0.003028
     10.61491     12.24675     14.56306         0.052733     -0.056147     -0.040465
     10.74752     13.63436     14.67723        -0.040290     -0.016718     -0.028943
     10.79995     14.19433     15.95461         0.100328     -0.141896     -0.037905
     10.93337     15.61131     16.40784        -0.109552      0.230219      0.001894
     10.77629     14.22499     18.29303        -0.054741     -0.227812      0.613848
     10.76085     16.75118     18.70226         0.005347      0.020001      0.047529
     10.07238     16.73016     19.90976        -0.063293      0.076856      0.153817
      9.90820     17.89738     20.66203         0.045295     -0.106961     -0.118465
     11.31056     17.99876     18.36514         0.013793      0.091960     -0.010053
     11.17397     19.17539     19.14614         0.081721     -0.138426     -0.087367
     10.41305     19.18368     20.39418         0.048032     -0.092253     -0.284955
     10.10044     20.33788      0.11399         0.017369      0.250672      0.195691
      9.40844     20.30031      1.39339         0.019649     -0.017654      0.114485
      9.21249      0.19898      2.19190         0.076390     -0.149685     -0.128891
     10.50184      0.40136     21.07546         0.006230     -0.094586     -0.129405
     10.31537      1.54751      0.59590        -0.014834     -0.080529      0.066027
      9.68569      1.47396      1.84076        -0.069202      0.008665      0.117690
      8.75866     19.07550      2.02420         0.057370      0.088477      0.344495
     11.97431     20.32338     18.51663        -0.085117      0.016976      0.142232
      7.30946      7.65107     17.34946        -0.131487      0.019097      0.015696
      7.14738      8.57444     16.31820        -0.141075      0.078729      0.073639
      7.08421      9.95322     16.58927         0.069161     -0.025515      0.043433
      7.52126      8.07172     18.65598         0.038566      0.168949      0.083559
      7.54170      9.44629     18.91811         0.019567     -0.001191     -0.078071
      7.29141     10.43317     17.92108         0.031432      0.035044      0.078765
      7.08695      6.27899     16.82645         0.162366     -0.103573      0.084208
      7.01578      7.78688     15.03209         0.249811      0.084585      0.140129
      7.25812     11.90189     18.34093        -0.028177     -0.092758     -0.182353
      7.15028     12.99387     17.42989         0.037774      0.067660      0.140805
      7.17234     14.31673     17.90559        -0.101259     -0.070785      0.039957
      7.36416     12.24497     19.71637         0.039241      0.001142     -0.082236
      7.36124     13.56237     20.18947        -0.030922      0.038170     -0.173050
      7.24739     14.60856     19.26957        -0.032618     -0.023332      0.026630
      7.18901     16.09873     19.46744         0.118858     -0.651071     -1.037418
      7.15583     15.62703     17.16242         0.059161     -0.165713      0.083771
      7.50752     18.07001     17.83753         0.145699     -0.261935     -0.038186
      8.32412     18.41853     16.76026         0.037177      0.240897     -0.082874
      8.69686     19.74743     16.54360        -0.011939      0.123321      0.111262
      7.06197     19.14091     18.62011        -0.054371      0.115005     -0.049840
      7.42677     20.49533     18.38729         0.059580     -0.103619      0.119552
      8.32369     20.87753     17.31034         0.128052     -0.081077     -0.000748
      8.91442      1.00608     16.93201        -0.014524      0.172062     -0.186988
      9.64699      1.38211     15.72300         0.175891     -0.177647     -0.160651
     10.09331      2.71237     15.52858        -0.082469     -0.248493     -0.047506
      8.74783      2.12090     17.79291         0.057957     -0.078639      0.149376
      9.22006      3.43381     17.60566        -0.319004     -0.252650     -0.012489
      9.87776      3.77461     16.42000         0.189974     -0.019245      0.099729
     10.15451      0.50194     14.51880        -0.155380      0.224985      0.344909
      6.73497      0.16300     19.38357        -0.215740     -0.108105     -0.048324
      6.91536     10.82428      6.20518        -0.018253      0.127740      0.075951
      6.84988     11.27107      7.52399         0.015634      0.120133     -0.106585
      6.88818     12.64302      7.84886         0.060602     -0.046892     -0.150578
      7.05762     11.75871      5.17382        -0.035524      0.047313      0.043354
      7.11707     13.12425      5.49813        -0.053077     -0.044407      0.005946
      7.02820     13.63168      6.82353        -0.014446      0.049911      0.145752
      6.90990      9.32763      6.20116         0.021445     -0.328899     -0.351996
      6.83707     10.04750      8.40450        -0.001129      0.199470      0.379784
      7.12497     15.14689      7.06573        -0.081741     -0.144770      0.160228
      7.13061     15.76552      8.35661         0.017852     -0.000749     -0.072145
      7.24598     17.16470      8.47658         0.017193      0.062220     -0.150835
      7.25884     16.03460      5.96062        -0.111029      0.035652      0.009007
      7.34525     17.42820      6.08878        -0.070869     -0.166152     -0.160891
      7.31076     17.99508      7.35666        -0.050802     -0.129628      0.027083
      7.43779     19.42197      7.78004         0.055864      0.540135     -0.316672
      7.45271     18.04862      9.67658         0.147879     -0.362338      0.700167
      7.67682     20.57548     10.04307         0.065603     -0.088145     -0.153067
      7.21391     20.55089     11.35026         0.071783      0.354645      0.164450
      7.21461      0.45074     12.12349        -0.103001     -0.101662      0.071638
      8.29394      0.51988      9.63859         0.069929     -0.052442      0.113518
      8.40336      1.65572     10.48178        -0.038587     -0.089028      0.120403
      7.74447      1.70527     11.79047         0.095986     -0.235126     -0.109316
      7.53313      2.84658     12.79948         0.139053      0.462029     -0.039494
      6.90937      2.82760     14.10843        -0.236809     -0.090414      0.607625
      6.71533      4.00874     14.87089        -0.013387     -0.351899     -0.010419
      7.93347      4.16553     12.46155         0.065554     -0.275119     -0.226423
      7.81451      5.31785     13.24179        -0.151746     -0.065660      0.023287
      7.18074      5.26749     14.49044         0.072954      0.215974      0.002587
      6.30752      1.63560     14.88428        -0.281228      0.353352      0.128566
      9.38775      2.68331      9.93232         0.100262      0.057140     -0.003340
      4.28774     11.52800     10.48304        -0.107571      0.067763     -0.150925
      4.04329     12.39529      9.41937        -0.022459     -0.091077      0.030877
      4.15868     13.78206      9.56353         0.007252     -0.088268      0.028255
      4.68033     12.04163     11.71775         0.018261      0.058333      0.012048
      4.70693     13.43258     11.88690         0.071504      0.003536      0.014281
      4.45655     14.34794     10.83126        -0.081648      0.095785     -0.115107
      3.87516     10.14880     10.09677        -0.071362     -0.032003     -0.228649
      3.54746     11.57823      8.25938        -0.029785      0.145190     -0.390681
      4.45666     15.84535     11.07513         0.003142     -0.187345     -0.056968
      4.06845     16.79199     10.08126         0.065968      0.145406      0.146050
      4.10254     18.16508     10.36917        -0.004519     -0.060221      0.212982
      4.85858     16.35224     12.33933        -0.101046     -0.061545     -0.135514
      4.79762     17.70819     12.65360        -0.019647      0.093337     -0.012008
      4.40416     18.59948     11.66066        -0.049654      0.011415     -0.147390
      4.27503     20.07372     11.72158         0.009769     -0.431359     -0.484328
      3.93057     19.40060      9.50162         0.203715     -0.493509      1.638697
      4.35550      0.63490      9.99688        -0.030788     -0.267905      0.219230
      4.86011      0.99212      8.75364         0.146084      0.341851      0.059308
      5.38799      2.26931      8.57132        -0.016337     -0.096345     -0.023044
      4.23613      1.69761     10.89737        -0.028171     -0.029124      0.048128
      4.73132      3.00797     10.68012         0.076215      0.057588     -0.104669
      5.45621      3.35966      9.47016        -0.198360     -0.040008      0.043697
      6.07026      4.71299      8.97746         0.083695      0.152393     -0.119522
      6.55397      5.03244      7.64424        -0.063274      0.090141      0.062805
      6.84441      6.35930      7.21325        -0.120181     -0.330121      0.087691
      6.08196      5.87856      9.77507         0.006778      0.116642     -0.090069
      6.29792      7.20028      9.33856        -0.041285     -0.428341      0.288021
      6.65196      7.50024      8.02120        -0.015621      0.032702     -0.034373
      6.72868      3.99670      6.54404         0.123511      0.259623     -0.126973
      4.17505      3.81998     11.84062         0.137346      0.363537     -0.245024
      0.83375     14.10936      1.00671        -0.035260      0.085517      0.057524
      1.51474     14.55591      2.14015        -0.158504     -0.142727     -0.398093
      1.53995     15.94321      2.43007         0.103556      0.010902     -0.033831
      0.32926     14.99356      0.06905        -0.135753      0.187047     -0.193867
      0.45876     16.36268      0.30719        -0.002153     -0.143965      0.179264
      0.99051     16.90701      1.50815        -0.025523     -0.094940      0.046160
      0.77772     12.63750      0.96953        -0.150864     -0.256239     -0.300840
      2.15138     13.29306      2.73372         0.441583      0.082978      0.754294
      0.93440     18.44286      1.66713         0.041835     -0.209334      0.154987
      1.33326     19.18676      2.82073        -0.159809      0.178550     -0.240719
      1.22468     20.59402      2.82333        -0.049063     -0.129285     -0.099091
      0.42664     19.21806      0.58269        -0.033104     -0.041814     -0.035765
      0.25090     20.60513      0.61705         0.073979     -0.152187      0.103546
      0.65696      0.03230      1.75810        -0.131790     -0.056180     -0.162702
      0.57774      1.48476      2.07318        -0.185816      0.480068     -0.177641
      1.67098      0.36240      3.82386         0.356140     -0.123167      0.456353
      1.32946      2.91502      4.05315         0.053621     -0.152324      0.011053
      1.95560      3.00392      5.29852         0.141902      0.047354     -0.116009
      2.09438      4.23089      5.94056         0.073206     -0.288508      0.055275
      0.77507      4.12848      3.59473        -0.048427     -0.123927      0.018798
      0.86354      5.33779      4.31872         0.039864      0.157243      0.266559
      1.61822      5.48828      5.54941        -0.173203     -0.244936     -0.344635
      1.98108      6.70711      6.40989         0.189810      0.168114      0.339463
      2.45499      6.68945      7.77901         0.047927      0.019604      0.149138
      2.87555      7.84624      8.46752        -0.095514     -0.280350     -0.201692
      2.00752      8.03284      5.90715         0.001012     -0.098714     -0.082033
      2.47245      9.18679      6.56647         0.009550     -0.191744      0.145431
      2.93364      9.11900      7.90103         0.135970      0.186364     -0.031112
      2.72212      5.46947      8.64259         0.253593      0.141437     -0.124556
      0.04603      6.43067      3.69172        -0.171762      0.157253     -0.015289
      4.60083     14.08327      0.65225         0.094488      0.079535      0.146559
      4.02460     14.99277     -0.23634         0.044824      0.104882      0.089451
      4.06833     16.38378     -0.01051         0.058704      0.287871      0.216726
      5.24383     14.56271      1.79001        -0.011390      0.245492      0.169329
      5.23169     15.94414      2.04963        -0.022517      0.091139     -0.007421
      4.64334     16.92817      1.19867        -0.114104     -0.079220     -0.191163
      4.40148     12.68555      0.16434        -0.138796      0.125009     -0.141173
      3.40866     14.17016     19.91728        -0.261182      0.107512     -0.053756
      4.67838     18.42247      1.64222        -0.082579      0.064508     -0.143391
      4.16148     19.56598      0.93503         0.058216     -0.087971      0.078092
      4.31062     20.88111      1.45427         0.113833      0.038000      0.156948
      5.29213     18.73203      2.88831        -0.130996     -0.061668     -0.064998
      5.47086     20.02749      3.38672        -0.053136     -0.049199      0.003090
      4.99684     21.11250      2.64653         0.027519      0.051181      0.068804
      5.11561      1.33309      2.90041         0.251370      0.468140      0.360310
      3.85192      0.98897      0.96229        -0.157738     -0.016863     -0.358214
      4.04768      3.45868      1.82997         0.193373      0.290296      0.128900
      3.16859      4.04390      0.90272        -0.166964     -0.132708     -0.265443
      2.94143      5.42847      0.82198        -0.004629     -0.161057     -0.126542
      4.61263      4.42327      2.71075        -0.081089     -0.411613     -0.007662
      4.26815      5.79865      2.70900        -0.106790      0.073134      0.087455
      3.43370      6.41226      1.70796        -0.082197      0.192309      0.052094
      3.01684      7.91149      1.61179        -0.125924      0.006952      0.055932
      1.80851      8.47253      1.04327        -0.194665     -0.264528     -0.016815
      1.47306      9.82633      1.17270         0.003812     -0.009204      0.122998
      3.78419      8.92572      2.23581         0.422333     -0.255260     -0.027969
      3.41345     10.26285      2.46876        -0.223264     -0.103063     -0.028777
      2.22562     10.76749      1.90411        -0.076781     -0.067744      0.010697
      0.78496      7.71575      0.18473        -0.284217     -0.129534      0.083787
      4.90290      6.50943      3.89661        -0.106619     -0.382927     -0.155400
     18.02028     17.33088     13.80693         0.072753      0.159712      0.035006
     19.01663     17.80227     14.66154         0.025718      0.029881      0.118301
     19.26235     19.17472     14.83781        -0.141876     -0.124219      0.007813
     17.32507     18.24122     13.00550         0.025962     -0.002603     -0.005543
     17.63692     19.60523     13.10745        -0.169961     -0.037772     -0.017194
     18.53659     20.13082     14.07090         0.092599     -0.089485      0.011237
     17.97708     15.83469     13.89011         0.302555      0.328166      0.079062
     19.71750     16.60737     15.25195         0.405192      0.238455      0.271287
     18.66868      0.36623     14.26330         0.077960     -0.107696      0.149271
     19.57690      0.94167     15.19531        -0.071573      0.251096      0.084959
     19.57501      2.33133     15.40049        -0.076114      0.068636     -0.046069
     17.81388      1.25946     13.56640         0.008885      0.009002      0.053799
     17.82255      2.64492     13.76753         0.039004     -0.007080      0.022225
     18.71668      3.17965     14.69383         0.024501     -0.069021      0.128568
     18.93050      4.59320     15.14468         0.065142     -0.078694      0.040754
     20.36258      3.18756     16.35938         0.042647     -0.368730      0.130587
     20.56141      5.69053     16.78277         0.105398     -0.087744     -0.061554
      0.63018      5.68112     17.21022        -0.126601      0.171717      0.068101
      1.22995      6.83041     17.70118        -0.074065      0.721628      0.135836
     19.88158      6.88881     17.01093        -0.545197      0.211161     -0.101673
     20.48076      8.05230     17.56105         0.104165     -0.047691      0.192341
      0.63483      8.10511     17.89320         0.277830     -0.217336     -0.070339
      1.52633      9.28161     18.44438         0.184019     -0.172060      0.221878
      2.90680      9.27557     18.95185        -0.296787     -0.317773      0.114033
      3.52197     10.44687     19.46902        -0.305117     -0.175532     -0.057792
      0.98467     10.57732     18.53940         0.225691      0.462890      0.108501
      1.58787     11.72818     19.09054        -0.315567     -0.181687     -0.072784
      2.87972     11.68053     19.61554        -0.044189     -0.201898     -0.217219
      3.98809      8.16868     18.94499        -0.063274      0.443794      0.170038
     19.44722      9.12269     17.87950        -0.081351      0.125460      0.122832
      1.84009     18.26434     14.12975        -0.018267      0.362312     -0.056525
      1.14517     19.18122     13.34372        -0.268364      0.062204     -0.061490
      1.19577     20.55930     13.59083         0.009877     -0.165091     -0.040168
      2.64951     18.72974     15.16244        -0.161814     -0.059098      0.106560
      2.66994     20.09759     15.43894         0.202025      0.124337     -0.042020
      1.95408     21.05878     14.68178         0.041410      0.169834      0.081193
      1.54565     16.88878     13.67087        -0.274133      0.225118     -0.042717
      0.37615     18.40007     12.31131        -0.313401      0.350251     -0.516121
      2.09306      1.27490     14.99783        -0.044557     -0.228170     -0.052196
      1.56738      2.27848     14.14784         0.224566      0.159350      0.070480
      1.85425      3.62225     14.40524        -0.136754     -0.107887      0.042702
      2.80331      1.71741     16.14744        -0.056470     -0.018148     -0.121697
      3.16211      3.05805     16.34705        -0.026210     -0.015377     -0.068684
      2.72512      4.01521     15.42582        -0.270126     -0.199816     -0.228468
      2.96520      5.48191     15.27819         0.614275      0.399557      0.398607
      1.32105      4.84956     13.73325         0.835243     -0.258951      0.907414
      1.51498      7.31696     14.24307         0.031008      0.090304      0.169801
      0.19702      7.61915     13.89006        -0.050933      0.162941      0.027022
     20.97399      8.91422     14.04475        -0.140466      0.053219      0.081045
      2.28918      8.42068     14.64026        -0.036442      0.195851      0.037361
      1.78791      9.74127     14.76677         0.159636     -0.079750      0.109685
      0.39996     10.06293     14.48852         0.071723     -0.220215      0.072708
     20.88631     11.38310     14.59379        -0.223998      0.125628     -0.050372
     19.49503     11.65578     14.24835        -0.064179      0.050074     -0.089692
     18.94374     12.95652     14.35335        -0.019569     -0.185772     -0.093663
      0.26758     12.55730     15.04330         0.099036      0.006042     -0.074182
     -0.26278     13.84880     15.09858         0.086190     -0.134580      0.186200
     19.67000     14.09888     14.73750         0.070699     -0.109566     -0.065836
     18.42532     10.65163     13.77326        -0.103188      0.239316      0.172266
      2.89451     10.70450     15.19626         0.054225     -0.149382     -0.087013
     16.30436      0.40511      5.24004        -0.088706      0.223277      0.002560
     16.93122      0.79472      6.42344        -0.097654      0.139670     -0.014331
     16.88111      2.13082      6.87506        -0.159087     -0.053827     -0.159476
     15.62382      1.33554      4.47286         0.066892      0.129343      0.015190
     15.62079      2.67118      4.88345        -0.016541     -0.046320      0.082128
     16.22354      3.12738      6.08381         0.071237      0.097262      0.068646
     16.58496     20.24050      4.94076         0.107067      0.051945      0.011307
     17.65338     20.84184      6.94400         0.067116      0.006662      0.184163
     16.19625      4.63030      6.38394         0.052458     -0.130736      0.004272
     16.82179      5.26702      7.49818        -0.148143      0.093519     -0.094210
     16.79713      6.67241      7.60323        -0.086342     -0.021045     -0.157851
     15.55495      5.50093      5.45511         0.067719     -0.032223      0.033643
     15.60164      6.89646      5.53362         0.031137     -0.144925     -0.091190
     16.24462      7.48734      6.61265         0.031139     -0.220524      0.052476
     16.52671      8.91912      6.91072        -0.228138      0.368372     -0.184390
     17.36277      7.58350      8.64587         0.256804     -0.315694      0.755080
     17.69360     10.10822      8.84540        -0.047289     -0.103998     -0.013186
     18.72555     10.00708      9.76898         0.085497      0.225288      0.123316
     19.29787     11.14441     10.33454         0.026558     -0.067592      0.054793
     17.22222     11.41278      8.61762         0.103038      0.023320      0.093636
     17.82357     12.55644      9.19651         0.073663     -0.004340      0.000594
     18.96026     12.47979     10.08713        -0.223308     -0.153123     -0.104202
     19.76311     13.59540     10.75958         0.183750      0.015083      0.287287
     21.07365     13.51231     11.37579         0.136901     -0.068263      0.023600
      0.44426     14.65128     11.92974        -0.036391     -0.064701      0.065519
     19.21989     14.89175     10.89177        -0.048417      0.009124     -0.037488
     19.84627     16.02038     11.42230         0.073189      0.124478      0.030414
     21.13463     15.92589     11.96342        -0.033591     -0.074375      0.065957
      0.82075     12.34662     11.40026         0.006108      0.256318      0.189299
     17.07959     13.81822      8.83618         0.125773     -0.005445     -0.184265
     20.28180      1.44947      6.19922         0.084143      0.033874      0.247275
     19.68174      2.47610      5.46719         0.097809      0.111417      0.094448
     19.63445      3.77491      5.94971         0.019937     -0.047878      0.021146
     20.81110      1.71419      7.46272         0.020935     -0.221936     -0.077333
     20.68665      3.00675      7.98287        -0.023341     -0.039739      0.104122
     20.11673      4.07613      7.24627         0.014517      0.099958      0.039753
     20.23826      0.19973      5.38927         0.103666     -0.069993      0.066563
     19.20628      1.91800      4.16410        -0.357881      0.491564     -0.385063
     20.14895      5.49860      7.72686        -0.064644     -0.044811     -0.078412
     19.72672      6.53264      6.86281         0.017035      0.247306      0.166017
     20.04434      7.85959      7.14868         0.093110     -0.158147      0.342617
     -0.59859      5.88894      8.99201        -0.109551     -0.029405     -0.228914
     -0.27946      7.21457      9.28810        -0.007769      0.300120     -0.142584
     20.74269      8.19124      8.30697        -0.111932     -0.096934     -0.097995
     -0.18208      9.63288      8.23112         0.611260      0.667564      0.674483
     19.77176      9.10857      6.38161        -0.295886      0.037756     -0.419902
     20.33490     11.57627      6.70595         0.016614     -0.017908      0.005155
     19.41111     12.01207      5.74653         0.020248      0.169352      0.030024
     19.19800     13.37071      5.53705        -0.005161     -0.039685      0.020754
     21.11795     12.59651      7.29666         0.004176      0.007040     -0.061330
     20.93667     13.97255      7.02451        -0.142657     -0.088015     -0.023994
     19.88302     14.43949      6.14803         0.132960     -0.317499      0.071052
     19.39645     15.84746      5.90799        -0.125681      0.333608     -0.084372
     18.62895     16.35876      4.79328         0.027125     -0.051281     -0.046490
     18.09116     17.66083      4.79781         0.068511     -0.131077     -0.059566
     19.56763     16.81788      6.91894        -0.062829      0.119960      0.132471
     19.00282     18.09252      6.94777         0.048466     -0.166239      0.045318
     18.19631     18.53802      5.89712         0.031113     -0.104124      0.021715
     18.21816     15.55140      3.56118         0.071887      0.072579     -0.037153
      0.70868     14.87601      7.68807        -0.213511     -0.127401     -0.180465
     12.74379      5.22302      4.01437        -0.087637      0.071000      0.074715
     13.31935      3.78060     20.51621         0.031460     -0.146419     -0.049055
     13.03810      6.13319     21.03228         0.098389     -0.109533      0.107353
     12.94529      7.33570      4.40203        -0.076109     -0.090531      0.083954
     13.22539      7.95754      0.11344        -0.001988      0.088697      0.130262
     13.59924     10.32936      0.44708         0.034784      0.121593      0.090824
     13.38997     13.33614      8.77993        -0.060173     -0.147920      0.103330
     13.23381     11.49963      7.32565         0.008490     -0.435423      0.050924
     14.32879     14.03642      4.04342         0.024691     -0.070628      0.097572
     12.85200     17.14769     11.49120        -0.107515     -0.013364     -0.183863
     15.27295     17.16753      7.26750         0.082847     -0.097466      0.043948
     15.22023     19.15168      8.51834        -0.049944     -0.092348      0.171390
      9.60483      6.83704      3.09278         0.003100      0.098441     -0.026041
     10.13341      3.55424      6.83967         0.078578     -0.060440      0.025907
     10.30034      5.94276      7.31079         0.021624     -0.040974     -0.213748
      9.98144      8.95797      3.62628         0.084611     -0.098901     -0.137098
      9.96643      7.70972      7.78791         0.008629      0.037422     -0.039934
     10.07253     10.01978      8.51514         0.059613      0.099287     -0.080287
     12.01968     15.91937      2.32966         0.050569     -0.043760      0.045462
     11.43221     13.74433      2.86286        -0.091893     -0.188007     -0.084594
     10.20270     15.04969      6.75987        -0.020751     -0.035763     -0.038502
     13.41115     20.27603      1.22357         0.069904      0.062127     -0.096602
     11.60341     19.26294      5.58436        -0.084879      0.009917      0.000500
     12.00456      0.21550      5.08892         0.035684      0.076544     -0.039980
     10.45331      9.11893     17.48736        -0.035635      0.035844      0.071027
     10.57919      7.72338     12.67826         0.037933     -0.125005      0.106282
     10.42120     10.07345     13.23377         0.140666     -0.228496      0.224091
     10.63111     11.36432     17.86338        -0.030557     -0.084096      0.069885
     10.57238     11.84078     13.55308         0.009819      0.104704      0.005356
     10.80658     14.22457     13.76097         0.002996      0.170604      0.120295
      9.33794     17.72405      0.28944        -0.214260      0.026638      0.052784
      9.62385     15.82130     20.30638         0.146511     -0.023525     -0.072029
     11.85461     18.07041     17.42928         0.035110      0.032708      0.030629
      8.69548      0.10304      3.14186         0.035988     -0.093407     -0.028512
     11.00240      0.58197     20.14168         0.115971      0.067542     -0.059328
     10.69927      2.49106      0.22349        -0.048595      0.139070     -0.100189
      6.83419     10.62838     15.77012         0.106185      0.104577     -0.001798
      7.63920      7.36021     19.47549         0.035162     -0.033341     -0.096395
      7.71706      9.73754     19.96015        -0.010918     -0.024778     -0.272806
      7.06188     12.82506     16.35903         0.040112     -0.040266     -0.146267
      7.44324     11.46268     20.47406        -0.015919      0.104777     -0.103070
      7.45635     13.73234      0.00335        -0.012265      0.132517     -0.037422
      9.32794     19.89247     15.68323         0.178835     -0.098226      0.133483
      8.70803     17.67711     16.06897         0.050432     -0.140086     -0.053564
      6.39183     18.93582     19.44896         0.097122     -0.047468      0.008676
     10.59602      2.95169     14.60046         0.075279     -0.082121     -0.051054
      8.18993      1.99005     18.71551         0.176827      0.013981     -0.153934
      8.97130      4.17371     18.36371         0.114844     -0.022797     -0.017678
      6.80323     12.92150      8.89584         0.136784      0.100786      0.122759
      7.16771     11.46520      4.12498        -0.091863     -0.117378      0.130401
      7.26859     13.81454      4.66124        -0.056939     -0.133571      0.162209
      7.04980     15.17660      9.27216         0.104105     -0.077937     -0.036328
      7.31418     15.64672      4.93822         0.002628     -0.009267      0.212750
      7.52310     18.04285      5.20354        -0.137446     -0.001518      0.064800
      6.76615      0.32472     13.09146        -0.136823     -0.052685     -0.164624
      6.83721     19.64345     11.79532        -0.078085     -0.241490      0.056766
      8.74701      0.56392      8.64809        -0.041514      0.027305      0.120727
      6.20261      3.94438     15.83169         0.157216     -0.101886     -0.245107
      8.39462      4.30774     11.49417         0.069310      0.118454     -0.017307
      8.24040      6.23460     12.85336        -0.065999      0.242862     -0.065021
      3.94374     14.40783      8.70541         0.058606      0.127165     -0.132579
      4.89852     11.39400     12.56791        -0.078789     -0.039945     -0.128647
      4.85846     13.80340     12.90498         0.133122     -0.045443     -0.161116
      3.72997     16.47214      9.10239         0.026792     -0.109703     -0.259877
      5.21569     15.68061     13.11921         0.001396     -0.029403     -0.050698
      5.07763     18.06469     13.64744         0.009004     -0.030832     -0.062289
      5.74429      2.38119      7.57773         0.188190     -0.071450     -0.062873
      4.86793      0.31846      7.91010         0.103958     -0.287813     -0.167908
      3.70897      1.51232     11.82848         0.125595     -0.038846     -0.015049
      7.18809      6.47589      6.19388        -0.039416      0.086651     -0.063152
      5.83541      5.80405     10.81803        -0.052103     -0.063932      0.177044
      6.13982      7.98182     10.06706         0.080338      0.192463      0.195991
      2.01463     16.26006      3.35507         0.079731      0.172942      0.147563
     -0.11963     14.63686     20.39298        -0.004860      0.039518      0.220664
      0.11919     17.01232     20.76683        -0.118595      0.040529      0.005016
      1.69154     18.70847      3.72400         0.198646     -0.237537      0.172170
      0.13580     18.73470     20.90682         0.007017      0.053121      0.165677
     -0.18074     -0.13719     21.01883         0.022405      0.081573      0.000211
      2.65219      4.15543      6.83993         0.215094     -0.138816      0.131836
      2.37267      2.12975      5.78602         0.071360     -0.092650     -0.036155
      0.19126      4.11509      2.67577         0.073803      0.068189      0.086916
      3.17011      7.75315      9.50483         0.056409     -0.037194     -0.039115
      1.70652      8.18043      4.87789        -0.063585      0.104858     -0.167372
      2.46459     10.11719      6.01257         0.044765      0.206704     -0.023606
      3.65853     17.03268     20.47007        -0.093620      0.089716      0.120478
      5.72243     13.89548      2.51587        -0.120036      0.001717     -0.172955
      5.71632     16.24803      2.98336        -0.112308     -0.044678     -0.222709
      3.65665     19.44651     -0.02384        -0.044823     -0.035444     -0.050977
      5.69434     17.92340      3.50448        -0.101553      0.207972     -0.066528
      5.99185     20.14484      4.33831        -0.043975      0.217877     -0.002547
      2.33153      5.73197     -0.01927        -0.015155     -0.125101      0.143375
      2.60731      3.42046      0.21560         0.075877     -0.099935     -0.220671
      5.30639      4.09892      3.48205        -0.073124     -0.132097     -0.011344
      0.57262     10.19067      0.68566         0.052310     -0.228162      0.086856
      4.78806      8.65154      2.57095        -0.214716      0.172184      0.024096
      4.06482     10.84928      3.11116         0.059877      0.268101     -0.185960
     20.01068     19.48622     15.56761         0.012834     -0.015282      0.015056
     16.57546     17.91851     12.27782         0.053078     -0.079565      0.051532
     17.14720     20.27567     12.39089         0.025490     -0.119571      0.239431
     20.27000      0.32359     15.76982        -0.046017      0.025239      0.007827
     17.08561      0.86650     12.85543         0.032590      0.020268      0.051688
     17.12092      3.28074     13.22539         0.040046      0.045578     -0.014505
      2.24466      6.70508     18.02636        -0.000105     -0.025804     -0.319617
      1.23334      4.79161     17.17943         0.042083     -0.401571      0.008254
     18.81233      6.93018     16.76151         0.430658      0.050604      0.088214
      4.54697     10.39550     19.80698         0.135507     -0.186463      0.071647
      0.00727     10.76158     18.13885        -0.343292      0.003797     -0.056806
      0.98958     12.64004     19.11696         0.103153     -0.036705     -0.049935
      0.65852     21.22372     12.92108        -0.158132      0.140062     -0.066860
      3.25610     18.04873     15.75440         0.002519     -0.142851      0.099483
      3.33759     20.42985     16.23633        -0.088545      0.002429     -0.025218
      1.00281      2.03257     13.25229        -0.187819     -0.050387     -0.046317
      3.12417      0.99276     16.90504        -0.027559      0.177625     -0.170246
      3.74980      3.32276     17.22681         0.073474      0.083144     -0.052894
     19.93449      8.99984     13.80563        -0.033066     -0.119440      0.065930
     20.74895      6.88410     13.52155         0.056314     -0.208928      0.057230
      3.33240      8.25567     14.88758        -0.045351     -0.069195      0.002559
     17.90205     13.06842     14.07829        -0.025299      0.110068     -0.012764
      1.29666     12.50415     15.35421         0.098385      0.016055     -0.024125
      0.40837     14.63799     15.41549        -0.017912      0.134194      0.065420
     17.39021      2.39730      7.80066         0.026324      0.015775      0.079256
     15.13380      1.04119      3.54733         0.136492     -0.029029     -0.018936
     15.13329      3.37883      4.21173         0.107978     -0.090034      0.131109
     17.38261      4.70816      8.25105        -0.182667     -0.078640      0.014360
     15.00952      5.08963      4.60195         0.179275      0.053509      0.141655
     15.14955      7.49214      4.74203         0.080460      0.051028      0.054504
     20.08374     10.92657     11.02838        -0.050042      0.061221     -0.011555
     19.13878      9.04655     10.04419        -0.138156     -0.103358      0.160216
     16.36547     11.55762      7.97029         0.021032      0.008948     -0.111953
      1.41868     14.53629     12.39510        -0.084745     -0.035730     -0.127036
     18.21295     15.06802     10.55554        -0.180894     -0.007662      0.099421
     19.29273     16.95808     11.41466         0.112292      0.018752     -0.013336
     19.26748      4.55224      5.29256        -0.234642      0.116832     -0.123228
      0.09206      0.93138      8.00991        -0.227868      0.125646      0.012505
     -0.15655      3.18303      8.97478        -0.060624      0.061785     -0.021220
     19.17963      6.32366      5.95600        -0.055740     -0.075086     -0.179564
     -0.39737      5.13882      9.75136        -0.006580     -0.050066      0.079367
      0.15227      7.45947     10.26254         0.013964      0.068062     -0.113040
     18.38648     13.59074      4.86736        -0.138996     -0.017152     -0.049783
     18.82876     11.31639      5.15839        -0.157493     -0.184638      0.074614
      0.65813     12.30262      7.96883        -0.074178      0.061064     -0.008834
     17.50027     17.96185      3.93857         0.017357     -0.012867      0.036357
     20.12140     16.55777      7.80800        -0.022795     -0.037569      0.017009
     19.19010     18.72374      7.80791        -0.006089      0.058783      0.129823
     13.90303     19.26029     10.69993         0.023694     -0.336605     -0.069546
     19.40797     21.17984      3.42312         0.010242      0.148247      0.238727
     12.90947      1.22806      2.66738         0.079047     -0.058661      0.020838
     13.64605     11.47603      4.59727         0.114126      0.148723     -0.138169
      9.60130      2.59501      2.75328        -0.079804     -0.251230     -0.163853
     10.42824     12.80594      5.24681        -0.166910      0.052855      0.168304
     10.26370      5.12553     16.06594         0.143641     -0.131041     -0.550167
     10.84748     15.58740     17.85015         0.110070      0.083942     -0.281283
      7.07922      6.38759     15.39592        -0.056171      0.072832     -0.223889
      7.23503     16.67362     18.14201        -0.061564      0.229798      0.108815
      6.76630      8.88094      7.56003         0.070222      0.070939     -0.047495
      7.53319     19.40895      9.20530         0.110406      0.047658     -0.096178
      3.44792     10.21199      8.70000         0.051207      0.146392     -0.124227
      4.07443     20.53414     10.37932         0.052262      0.284826      0.095722
      1.77828     12.15324      1.88354        -0.241728      0.251048      0.177126
      1.20455      1.65379      3.35319        -0.010912      0.271146     -0.004533
      3.51476     12.78249     20.29651         0.253232      0.216304      0.037383
      4.30937      2.01180      1.89949         0.209198     -0.201612      0.138543
     19.13707     15.43560     14.65969        -0.188125      0.023292      0.145242
     19.96179      4.54198     16.14671        -0.101589      0.205409     -0.041664
      0.56316     17.01254     12.61367         0.108828     -0.037505      0.003332
      1.98885      5.96650     14.32811         0.146583      0.137635      0.194228
     17.51612     19.80023      5.93556        -0.005573     -0.014319      0.014798
     17.19760      8.93388      8.17328        -0.144352      0.174075      0.131438
     19.57113      0.56529      4.20263        -0.090760     -0.141228     -0.231056
     20.43989     10.18174      7.05507         0.213013      0.004269      0.236787
     12.42616      2.38135      4.69024         0.206470     -0.145953     -0.127630
     13.70292      0.95537      0.44706         0.026888      0.005611     -0.051984
     13.21340      9.69296      6.10305         0.179422      0.210913     -0.678601
     14.00535     12.57384      2.50764        -0.045715     -0.330785      0.185640
      9.49263      4.43313      1.26397         0.010881     -0.129583     -0.009241
      9.47170      1.43740      4.83236         0.189924      0.679308     -0.581551
     10.21629     11.81660      3.10658        -0.047844      0.052577      0.080626
     10.19685     12.96956      7.60774        -0.028261      0.240167      0.234287
     10.21438      6.22374     18.14826         0.031629     -0.100785      0.535362
     10.84010      4.89143     13.74698         0.201683     -0.735626     -0.683680
     10.74285     13.86343     19.46633         0.031366      0.144519     -0.497299
     11.06604     16.61488     15.71757        -0.055632     -0.312324      0.259008
      6.93313      8.21795     13.89488        -0.060124     -0.115476     -0.004106
      6.92588      5.26058     17.48674         0.062487      0.211336     -0.254375
      7.10635     15.79125     15.95475        -0.042101      0.086111     -0.134003
      7.11036     16.70852     20.50799        -0.122766      0.434903      0.523152
      6.93355     10.04125      9.62460        -0.032617     -0.093456     -0.139877
      7.05929      8.59451      5.23091        -0.105567      0.374328      0.445171
      7.59840     17.69703     10.84502        -0.119996      0.175988     -0.612060
      7.45065     20.43318      7.07770        -0.044923     -0.703772      0.400855
      3.26586     11.97629      7.13362         0.134798     -0.237245      0.378564
      3.84722      9.16112     10.81366         0.039351      0.098327     -0.076305
      3.75327     19.44421      8.31811        -0.239313      0.193641     -1.638199
      4.32466     20.76946     12.71325        -0.070407      0.224331      0.327296
      2.86573     13.21443      3.72638        -0.342556     -0.121066     -0.667006
     -0.01406     11.98727      0.28961         0.382671      0.326287      0.281343
      2.35657      0.17371      4.82183        -0.333685      0.107377     -0.385564
      0.06064      2.37927      1.40599         0.372407     -0.641419      0.294087
      2.90806     14.55039     18.87433        -0.120844      0.142362     -0.072788
      4.90406     11.65998      0.60327        -0.023373      0.139816     -0.103138
      3.19351      1.21375     -0.04064         0.043926      0.028624      0.063958
      5.80264      1.88760      3.75743        -0.561230     -0.431958     -0.653773
     -0.62332     16.63333     16.06904        -0.404841     -0.149611     -0.343968
     17.13664     15.09218     13.42596        -0.147693     -0.234318     -0.137578
     -0.09252      2.80714     17.19807        -0.072371      0.061043     -0.057072
     18.36416      5.60462     14.76116         0.078846     -0.117262      0.025626
     20.98725     18.82843     11.35641         0.281140     -0.215706      0.636799
      2.01528     15.85819     14.11801         0.035894     -0.302152     -0.104725
      0.46183      4.91632     12.89049        -0.952649      0.062338     -0.892560
      3.85512      6.14940     15.81317        -0.900136     -0.418166     -0.458347
     18.24340     20.73039      8.00837        -0.092615     -0.048733     -0.180342
     16.13654     19.57225      4.02019         0.064715      0.151739      0.046347
     17.85561      7.25577      9.72394        -0.360464      0.187703     -0.573421
     16.27392      9.90253      6.22055         0.066709     -0.451494      0.398578
     18.60943      2.48141      3.24544         0.353852     -0.383848      0.537116
     20.66873     20.33825      5.63805        -0.033251      0.236787     -0.077504
     19.07532      9.21448      5.37917         0.203470     -0.023389      0.244667
      0.53111     10.26013      9.01699        -0.687437     -0.587642     -0.904574
     14.03480     17.35821      5.50111         0.085611     -0.036476      0.004263
     16.00176     16.40196      5.72544         0.200394     -0.020068     -0.026363
     14.82428     16.08994      3.93304        -0.140084     -0.079449     -0.009136
     11.79806     15.28265     11.48932         0.077619     -0.074722     -0.174155
     11.43728     14.43950      9.50923        -0.035701     -0.006459      0.043795
     13.20378     13.82320     10.67655        -0.046035     -0.030180      0.216069
     11.95826     17.98788      7.12408         0.141758      0.089976      0.121219
      9.96352     18.56595      6.42066        -0.123414      0.093625     -0.033739
     10.21714     16.85991      7.73436        -0.000232     -0.055029      0.060285
     13.45577     18.53246      0.16952         0.127641      0.042501     -0.001541
     14.22792     17.09049      1.60334        -0.004372     -0.150659      0.073135
     12.19330     16.91407      0.80103        -0.104179     -0.011810     -0.040698
     11.24326      0.21205     18.31402        -0.013928      0.008996     -0.050486
     13.05919     -0.58141     19.26515        -0.071747     -0.012493      0.174520
     12.45471     20.02676     17.27890         0.174049     -0.135354     -0.086457
      8.28960     19.30597      3.30029         0.157280      0.058693     -0.174324
      7.67651     18.66222      1.30776        -0.091039     -0.079908     -0.197387
      9.56933     17.97574      2.18244         0.005498      0.193908      0.059725
      7.57151      0.87993     20.19274         0.165330      0.016350      0.067370
      5.90261      1.05745     18.77494         0.061847      0.154666     -0.124254
      5.93489     20.73834     20.26788         0.006321      0.047067     -0.106958
     10.44611      1.26437     13.42822         0.016411      0.154350     -0.114913
     11.32074     -0.12872     14.84157         0.147148     -0.176915      0.274386
      9.32624     20.78375     14.01916        -0.001893      0.266547      0.100181
      8.82692      3.88680      9.55004         0.012200     -0.112585      0.038963
     10.36401      2.98755     10.83818        -0.109010      0.010267      0.131349
     10.05588      2.24886      8.81305        -0.110711     -0.030488      0.164527
      6.05001      1.92910     16.20759         0.250879      0.011186     -0.268037
      5.10369      1.22493     14.40323         0.091656      0.002022     -0.169380
      7.09283      0.52723     14.92272         0.048482     -0.169809      0.109869
      4.60416      5.09495     12.05498        -0.099521     -0.081473     -0.062385
      2.80257      3.89540     11.69976         0.087997      0.052338     -0.040046
      4.38536      3.18926     13.02772        -0.065508      0.051720      0.084543
      7.30190      4.50091      5.41527        -0.088140      0.036375      0.041046
      7.53356      2.94824      6.91975        -0.024239      0.129194     -0.084650
      5.53184      3.47510      6.11684         0.064457      0.034256     -0.134221
     -0.58942      7.25528      4.56245         0.019946     -0.034508      0.243665
      0.82425      7.28191      2.96840         0.133430      0.009379      0.060075
     -0.94302      5.95201      2.88328         0.022785     -0.006754      0.066283
      3.12636      5.78437      9.90668        -0.275136     -0.015782     -0.186123
      1.71788      4.56850      8.79832        -0.284201     -0.087230     -0.003461
      3.75536      4.74887      8.09514         0.023347      0.197164      0.098568
      6.17297      6.89277      3.56880         0.034983      0.108727     -0.111084
      4.23095      7.58716      4.38658         0.128585     -0.030863     -0.103288
      5.00954      5.67802      4.97620        -0.122832      0.138940     -0.130165
     -0.17920      8.52965     20.91867         0.267369     -0.073944      0.243153
      1.45307      7.17649     -0.87184         0.058163     -0.116594     -0.533500
      0.07602      6.66302      0.71058         0.474877      0.309787      0.003154
     19.44849      9.47029     19.20234         0.078595      0.120565     -0.215990
     19.62374     10.28455     17.15712        -0.115602     -0.087650      0.049011
     18.16492      8.72724     17.61840         0.038878      0.060475     -0.047691
      4.84267      8.29704     20.02055        -0.011325      0.169934     -0.121138
      3.68097      6.84855     18.98744        -0.003844     -0.118522      0.064681
      4.72297      8.36125     17.80972        -0.011154     -0.178765     -0.070123
      3.21670     11.59069     14.20217        -0.054668      0.074597      0.133932
      2.62281     11.44994     16.30773        -0.026046     -0.003437      0.068187
      4.06701     10.06534     15.50392         0.032297      0.049140     -0.097281
     17.26772     11.25724     13.37246        -0.060832      0.072595      0.157005
     18.77094      9.88605     12.69253        -0.031336      0.025644     -0.152963
     18.06918      9.77880     14.76255        -0.007518     -0.056840      0.129383
     16.23540     14.18847      9.84969        -0.122377      0.140759      0.184849
     17.85620     14.90827      8.55469         0.124278     -0.017400     -0.141058
     16.31133     13.65728      7.72856         0.065896     -0.020738     -0.147916
      1.83461     12.57148     12.29400        -0.116299      0.073338     -0.120514
      0.39913     11.08969     11.75214         0.221631      0.242368     -0.065172
      1.41516     12.26409     10.18201        -0.060112     -0.030487      0.017694
      1.26995     15.75303      6.80379        -0.076203      0.136575     -0.073271
      0.21738     15.62595      8.73550         0.107093     -0.033225      0.050401
      1.73221     14.17707      8.23715         0.094306     -0.011264     -0.126949
     17.74753     16.32147      2.53640         0.234537      0.048714      0.094308
     19.24808     14.81223      3.04544         0.092486      0.055143     -0.062519
     17.19233     14.65985      3.81864         0.101162      0.126578     -0.075408
 -----------------------------------------------------------------------------------
    total drift:                                0.002575      0.005619      0.018672


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4575.3258769774 eV

  energy  without entropy=    -4575.4780653958  energy(sigma->0) =    -4575.37660645
 
 d Force = 0.1344288E+00[-0.246E-02, 0.271E+00]  d Energy = 0.1338447E+00 0.584E-03
 d Force = 0.5829059E+03[ 0.582E+03, 0.584E+03]  d Ewald  = 0.5829076E+03-0.176E-02


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   74(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3160
 total energy-change (2. order) : 0.5924622E+00  (-0.5587254E+02)
 number of electron    2497.9999987 magnetization 
 augmentation part      162.6198369 magnetization 

  free energy =  -0.457473340918E+04  energy without entropy=  -0.457488503227E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   74(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3496
 total energy-change (2. order) :-0.1189426E+01  (-0.1433349E+01)
 number of electron    2497.9999986 magnetization 
 augmentation part      162.6666928 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8587
  0.8587

  free energy =  -0.457592283542E+04  energy without entropy=  -0.457607526422E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   74(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3696
 total energy-change (2. order) : 0.3954001E-01  (-0.2876843E-01)
 number of electron    2497.9999986 magnetization 
 augmentation part      162.6245569 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4193
  1.0817  1.7569

  free energy =  -0.457588329541E+04  energy without entropy=  -0.457603598014E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   74(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) :-0.7178554E-02  (-0.2532352E-01)
 number of electron    2497.9999986 magnetization 
 augmentation part      162.5918848 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2812
  2.1893  0.8271  0.8271

  free energy =  -0.457589047397E+04  energy without entropy=  -0.457604249171E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   74(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3736
 total energy-change (2. order) :-0.6725578E-03  (-0.4970196E-02)
 number of electron    2497.9999986 magnetization 
 augmentation part      162.5989295 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3355
  2.4012  1.0163  1.0163  0.9081

  free energy =  -0.457589114653E+04  energy without entropy=  -0.457604329158E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   74(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) : 0.2177786E-02  (-0.2946625E-02)
 number of electron    2497.9999986 magnetization 
 augmentation part      162.6005872 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2920
  2.3630  1.0719  1.0719  0.9767  0.9767

  free energy =  -0.457588896874E+04  energy without entropy=  -0.457604110599E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   74(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3568
 total energy-change (2. order) :-0.4666561E-04  (-0.4154347E-03)
 number of electron    2497.9999986 magnetization 
 augmentation part      162.6046913 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2875
  2.4160  1.0231  1.0231  1.2221  1.2221  0.8186

  free energy =  -0.457588901541E+04  energy without entropy=  -0.457604114906E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   74(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) : 0.4529356E-04  (-0.7037374E-04)
 number of electron    2497.9999986 magnetization 
 augmentation part      162.6062584 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2608
  2.4502  1.4185  1.0463  1.0463  1.0871  0.8884  0.8884

  free energy =  -0.457588897011E+04  energy without entropy=  -0.457604106343E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   74(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) :-0.2221699E-04  (-0.1995710E-04)
 number of electron    2497.9999986 magnetization 
 augmentation part      162.6050539 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2667
  2.5381  1.7656  1.0519  1.0519  1.0805  0.9429  0.9429  0.7602

  free energy =  -0.457588899233E+04  energy without entropy=  -0.457604102696E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   74(  10)  ---------------------------------------



 eigenvalue-minimisations  :  2752
 total energy-change (2. order) :-0.9814103E-05  (-0.3194638E-05)
 number of electron    2497.9999986 magnetization 
 augmentation part      162.6050539 magnetization 

  free energy =  -0.457588900214E+04  energy without entropy=  -0.457604106236E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0701       2 -56.1204       3 -56.0137       4 -55.8482       5 -55.8363
       6 -56.2932       7 -58.1524       8 -58.2448       9 -56.2595      10 -55.9264
      11 -56.0223      12 -55.8006      13 -55.8076      14 -55.9944      15 -58.0943
      16 -58.0868      17 -56.3491      18 -54.9729      19 -54.8469      20 -55.0701
      21 -55.6337      22 -55.5696      23 -55.5985      24 -55.6099      25 -55.0251
      26 -54.7321      27 -54.9232      28 -54.9641      29 -60.3939      30 -60.3603
      31 -55.6703      32 -55.7904      33 -55.7076      34 -55.3956      35 -55.5095
      36 -56.0004      37 -57.8103      38 -57.9644      39 -56.0926      40 -55.7916
      41 -55.9146      42 -55.6834      43 -55.7435      44 -55.9213      45 -58.0873
      46 -58.1274      47 -56.4647      48 -55.1336      49 -54.9362      50 -55.2811
      51 -55.8770      52 -55.8349      53 -55.7546      54 -55.7428      55 -55.0640
      56 -54.8512      57 -54.9969      58 -56.3815      59 -60.3532      60 -60.6084
      61 -55.9786      62 -56.0257      63 -55.9100      64 -55.7916      65 -55.7616
      66 -56.2266      67 -58.0971      68 -58.0974      69 -56.1924      70 -55.8689
      71 -55.9817      72 -55.6822      73 -55.6940      74 -55.9403      75 -58.0628
      76 -58.0742      77 -56.3476      78 -55.0761      79 -54.8960      80 -55.1998
      81 -55.8179      82 -55.8102      83 -55.8588      84 -55.9066      85 -55.2667
      86 -54.9924      87 -55.1876      88 -56.3898      89 -60.6498      90 -60.3903
      91 -55.7253      92 -55.8408      93 -55.7575      94 -55.5124      95 -55.5828
      96 -56.0983      97 -57.9008      98 -57.9963      99 -56.2020     100 -55.8966
     101 -56.0404     102 -55.7109     103 -55.7818     104 -56.0027     105 -58.1428
     106 -58.1589     107 -56.4449     108 -55.1736     109 -54.9722     110 -55.3907
     111 -55.9117     112 -55.8621     113 -55.7589     114 -55.7898     115 -55.0536
     116 -54.8817     117 -55.0186     118 -56.3319     119 -60.4538     120 -60.6010
     121 -55.9767     122 -55.9856     123 -55.8564     124 -55.7911     125 -55.7830
     126 -56.2052     127 -58.0950     128 -58.1719     129 -56.1663     130 -55.7939
     131 -55.8946     132 -55.7078     133 -55.6184     134 -55.8155     135 -57.9092
     136 -58.0211     137 -56.3778     138 -55.0607     139 -54.9031     140 -55.3272
     141 -55.8938     142 -55.8154     143 -55.8676     144 -55.8719     145 -55.1849
     146 -55.0593     147 -55.2239     148 -56.3838     149 -60.4980     150 -60.5541
     151 -55.6724     152 -55.7198     153 -55.5525     154 -55.4325     155 -55.4627
     156 -55.9215     157 -57.9629     158 -57.8972     159 -56.0067     160 -55.7379
     161 -55.8952     162 -55.5402     163 -55.5741     164 -55.7895     165 -57.9616
     166 -58.0661     167 -56.3781     168 -55.0264     169 -54.7952     170 -55.2174
     171 -55.8435     172 -55.8672     173 -55.8445     174 -55.7792     175 -55.3012
     176 -54.9361     177 -55.0715     178 -56.4893     179 -60.4495     180 -60.5827
     181 -55.8698     182 -56.0757     183 -55.9367     184 -55.6539     185 -55.6784
     186 -56.2426     187 -58.0268     188 -58.2264     189 -56.2724     190 -55.8721
     191 -56.0307     192 -55.7600     193 -55.7387     194 -55.9568     195 -58.0503
     196 -58.1704     197 -56.5031     198 -55.0773     199 -54.9038     200 -55.2800
     201 -55.8440     202 -55.8539     203 -55.9227     204 -55.8954     205 -55.1493
     206 -55.2094     207 -55.2247     208 -56.4926     209 -60.7064     210 -60.4551
     211 -55.9990     212 -56.0557     213 -55.9518     214 -55.8120     215 -55.7745
     216 -56.2970     217 -58.1517     218 -58.1417     219 -56.1512     220 -55.8228
     221 -55.9226     222 -55.5741     223 -55.5064     224 -55.8246     225 -57.9696
     226 -58.0937     227 -56.5035     228 -55.0506     229 -54.9353     230 -55.2500
     231 -55.7676     232 -55.7820     233 -55.7514     234 -55.7452     235 -55.0073
     236 -55.0902     237 -55.2297     238 -56.4548     239 -60.3487     240 -60.4168
     241 -55.9913     242 -56.0181     243 -55.9004     244 -55.7731     245 -55.7631
     246 -56.1997     247 -58.0944     248 -58.1518     249 -56.1925     250 -55.8767
     251 -55.9837     252 -55.7474     253 -55.7515     254 -55.9375     255 -58.0134
     256 -58.0462     257 -56.3484     258 -55.0521     259 -54.8331     260 -55.2351
     261 -55.7982     262 -55.8054     263 -55.9032     264 -55.9571     265 -55.3178
     266 -54.9772     267 -55.2133     268 -56.3920     269 -60.6108     270 -60.3662
     271 -55.8790     272 -55.9511     273 -55.7928     274 -55.6811     275 -55.6250
     276 -56.0614     277 -58.1035     278 -58.1022     279 -55.9514     280 -55.6562
     281 -55.7664     282 -55.5280     283 -55.5439     284 -55.8193     285 -58.0400
     286 -57.9636     287 -56.3897     288 -55.0486     289 -54.8631     290 -55.2107
     291 -55.8305     292 -55.7822     293 -55.8328     294 -55.8442     295 -55.2188
     296 -54.9490     297 -55.0469     298 -56.4292     299 -60.4934     300 -60.5511
     301 -55.9080     302 -56.0393     303 -55.9408     304 -55.6584     305 -55.6962
     306 -56.2032     307 -58.0725     308 -58.2363     309 -56.2289     310 -55.8988
     311 -55.9880     312 -55.7167     313 -55.6864     314 -55.8924     315 -57.9840
     316 -58.0790     317 -56.3803     318 -55.0000     319 -54.8044     320 -55.2698
     321 -55.7784     322 -55.7349     323 -55.8602     324 -55.9021     325 -55.2261
     326 -55.0663     327 -55.2325     328 -56.4290     329 -60.5834     330 -60.4346
     331 -55.7362     332 -55.7718     333 -55.6327     334 -55.5738     335 -55.5464
     336 -55.9880     337 -57.9568     338 -57.9283     339 -55.9002     340 -55.5958
     341 -55.7345     342 -55.4872     343 -55.5097     344 -55.7441     345 -57.9792
     346 -57.9653     347 -56.4665     348 -55.0131     349 -54.9456     350 -55.3018
     351 -55.8251     352 -55.7731     353 -55.7535     354 -55.7601     355 -55.2025
     356 -54.9211     357 -55.0109     358 -56.4327     359 -60.4626     360 -60.5535
     361 -39.1077     362 -38.8319     363 -38.9564     364 -39.0451     365 -38.9446
     366 -38.7464     367 -38.1097     368 -38.1530     369 -37.9922     370 -38.0981
     371 -38.1569     372 -38.1615     373 -38.7081     374 -38.3094     375 -38.6693
     376 -38.8245     377 -38.8516     378 -38.7417     379 -38.1700     380 -38.1746
     381 -38.2300     382 -38.0033     383 -38.2470     384 -38.0145     385 -38.9193
     386 -38.8087     387 -38.8723     388 -38.9026     389 -38.8591     390 -38.5770
     391 -38.2534     392 -38.2873     393 -38.1571     394 -38.1747     395 -38.2071
     396 -38.3273     397 -38.7439     398 -38.4274     399 -38.7605     400 -38.8922
     401 -38.8244     402 -38.7723     403 -38.2470     404 -38.2201     405 -38.4573
     406 -38.0977     407 -38.0945     408 -37.8915     409 -38.7920     410 -38.7786
     411 -38.9699     412 -38.7383     413 -38.9243     414 -38.6335     415 -38.2551
     416 -38.2996     417 -38.2331     418 -38.1170     419 -38.2397     420 -38.3667
     421 -38.6287     422 -38.3456     423 -38.5831     424 -38.7357     425 -38.6086
     426 -38.5811     427 -38.2648     428 -38.1263     429 -38.3192     430 -38.2171
     431 -38.1080     432 -38.0272     433 -38.7864     434 -38.6764     435 -38.9257
     436 -38.7641     437 -38.9617     438 -38.7155     439 -38.3803     440 -38.1037
     441 -38.1117     442 -38.1572     443 -38.3137     444 -38.1422     445 -38.8974
     446 -38.8733     447 -38.9421     448 -38.7445     449 -38.7661     450 -38.3869
     451 -38.0421     452 -37.9858     453 -38.1176     454 -37.9262     455 -38.1473
     456 -38.2372     457 -38.9351     458 -38.6976     459 -38.8797     460 -38.9085
     461 -38.9097     462 -38.7039     463 -38.1655     464 -38.3113     465 -38.1501
     466 -38.3882     467 -38.1559     468 -38.2311     469 -38.8954     470 -38.6923
     471 -38.7472     472 -38.7912     473 -38.5829     474 -38.4683     475 -38.2695
     476 -38.1383     477 -38.1364     478 -38.1197     479 -38.1699     480 -38.0395
     481 -38.9071     482 -38.7644     483 -38.9097     484 -38.8746     485 -38.9339
     486 -38.7538     487 -38.1400     488 -38.1848     489 -38.2468     490 -38.2468
     491 -38.2538     492 -38.3717     493 -38.8252     494 -38.4937     495 -38.6494
     496 -38.7403     497 -38.5344     498 -38.4858     499 -38.1992     500 -37.9905
     501 -38.1871     502 -38.1315     503 -38.1118     504 -38.0128     505 -38.1912
     506 -41.0488     507 -71.7154     508 -71.5888     509 -71.3519     510 -71.5930
     511 -71.5713     512 -71.5214     513 -71.4076     514 -71.5720     515 -71.6314
     516 -71.4647     517 -71.4365     518 -71.4943     519 -71.5544     520 -71.6082
     521 -71.5692     522 -71.4848     523 -71.5929     524 -71.5114     525 -71.5758
     526 -71.4400     527 -71.6509     528 -71.5329     529 -71.2306     530 -71.4361
     531 -76.9102     532 -76.7798     533 -76.7291     534 -76.7348     535 -76.6264
     536 -76.4742     537 -76.8111     538 -76.7304     539 -76.6740     540 -76.7679
     541 -76.7162     542 -76.7002     543 -76.6421     544 -76.5880     545 -76.8059
     546 -76.7843     547 -76.8106     548 -76.7439     549 -76.6525     550 -76.5498
     551 -76.5355     552 -76.6423     553 -76.7124     554 -76.6575     555 -76.8012
     556 -76.7700     557 -76.8071     558 -76.7069     559 -76.7497     560 -76.8415
     561 -76.7085     562 -76.6054     563 -76.8037     564 -76.7195     565 -76.6983
     566 -76.6330     567 -76.7387     568 -76.7738     569 -76.6949     570 -76.6748
     571 -76.8744     572 -76.7477     573 -76.7215     574 -76.6388     575 -76.5425
     576 -76.5874     577 -76.6945     578 -76.7076     579 -82.3169     580 -82.3096
     581 -82.2556     582 -82.3663     583 -82.2676     584 -82.2950     585 -82.4737
     586 -82.5081     587 -82.5768     588 -82.1610     589 -82.1075     590 -82.3615
     591 -82.3525     592 -82.1833     593 -82.2603     594 -82.5804     595 -82.4949
     596 -82.5949     597 -82.5102     598 -82.4556     599 -82.5572     600 -82.2492
     601 -82.2745     602 -82.3864     603 -82.4408     604 -82.3524     605 -82.5158
     606 -82.2456     607 -82.2964     608 -82.5630     609 -82.6481     610 -82.3197
     611 -82.4806     612 -82.4505     613 -82.2712     614 -82.2934     615 -82.4477
     616 -82.5069     617 -82.3718     618 -82.6645     619 -82.7060     620 -82.6328
     621 -82.2530     622 -82.4648     623 -82.2500     624 -82.2714     625 -82.3840
     626 -82.0865     627 -82.2063     628 -82.2695     629 -82.2431     630 -82.3054
     631 -82.6875     632 -82.3639     633 -82.4319     634 -82.4914     635 -82.5008
     636 -82.3337     637 -82.4437     638 -82.2724     639 -82.2884     640 -82.3968
     641 -82.3916     642 -82.3739     643 -82.5790     644 -82.4284     645 -82.4337
     646 -82.4176     647 -82.5663     648 -82.3690     649 -82.3774     650 -82.2554
 
 
 
 E-fermi :  -1.4712     XC(G=0):  -6.5246     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.1051      2.00000
      2     -28.9094      2.00000
      3     -28.8787      2.00000
      4     -28.8749      2.00000
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     10     -28.7872      2.00000
     11     -28.7810      2.00000
     12     -28.7148      2.00000
     13     -28.7143      2.00000
     14     -28.7064      2.00000
     15     -28.6919      2.00000
     16     -28.6839      2.00000
     17     -28.6676      2.00000
     18     -28.6429      2.00000
     19     -28.6403      2.00000
     20     -28.5989      2.00000
     21     -28.5923      2.00000
     22     -28.5644      2.00000
     23     -28.5594      2.00000
     24     -28.5160      2.00000
     25     -26.7909      2.00000
     26     -26.7220      2.00000
     27     -26.6408      2.00000
     28     -26.6335      2.00000
     29     -26.6167      2.00000
     30     -26.5857      2.00000
     31     -26.5827      2.00000
     32     -26.5781      2.00000
     33     -26.5591      2.00000
     34     -26.5586      2.00000
     35     -26.5486      2.00000
     36     -26.5439      2.00000
     37     -26.5329      2.00000
     38     -26.5245      2.00000
     39     -26.5204      2.00000
     40     -26.5102      2.00000
     41     -26.4753      2.00000
     42     -26.4745      2.00000
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     44     -26.4463      2.00000
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     46     -26.4405      2.00000
     47     -26.4335      2.00000
     48     -26.4240      2.00000
     49     -26.4165      2.00000
     50     -26.4143      2.00000
     51     -26.4051      2.00000
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     55     -26.3709      2.00000
     56     -26.3664      2.00000
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     59     -26.3429      2.00000
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     64     -26.2855      2.00000
     65     -26.2716      2.00000
     66     -26.2708      2.00000
     67     -26.2678      2.00000
     68     -26.2586      2.00000
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     70     -26.2374      2.00000
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     72     -26.1242      2.00000
     73     -23.2416      2.00000
     74     -23.2074      2.00000
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     91     -22.9602      2.00000
     92     -22.9580      2.00000
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     95     -22.9028      2.00000
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    100     -22.7051      2.00000
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    110     -22.5864      2.00000
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    112     -22.5743      2.00000
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    121     -20.4962      2.00000
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    130     -20.3254      2.00000
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    145     -18.6530      2.00000
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    210     -16.0617      2.00000
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   1083      -4.2168      2.00000
   1084      -4.2079      2.00000
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   1088      -4.1384      2.00000
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   1091      -4.0872      2.00000
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   1095      -3.9981      2.00000
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   1100      -3.9171      2.00000
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   1106      -3.7582      2.00000
   1107      -3.7407      2.00000
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   1110      -3.6914      2.00000
   1111      -3.6622      2.00000
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   1120      -3.3656      2.00000
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   1124      -3.2776      2.00000
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   1126      -3.2385      2.00000
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   1129      -3.1999      2.00000
   1130      -3.1444      2.00000
   1131      -3.1356      2.00000
   1132      -3.1289      2.00000
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   1134      -3.0969      2.00000
   1135      -3.0909      2.00000
   1136      -3.0765      2.00000
   1137      -3.0687      2.00000
   1138      -3.0422      2.00000
   1139      -3.0367      2.00000
   1140      -3.0320      2.00000
   1141      -3.0185      2.00000
   1142      -3.0084      2.00000
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   1154      -2.9371      2.00000
   1155      -2.9291      2.00000
   1156      -2.9250      2.00000
   1157      -2.9218      2.00000
   1158      -2.9077      2.00000
   1159      -2.8996      2.00000
   1160      -2.8966      2.00000
   1161      -2.8898      2.00000
   1162      -2.8862      2.00000
   1163      -2.8794      2.00000
   1164      -2.8734      2.00000
   1165      -2.8616      2.00000
   1166      -2.8536      2.00000
   1167      -2.8383      2.00000
   1168      -2.8117      2.00000
   1169      -2.8057      2.00000
   1170      -2.7779      2.00000
   1171      -2.7671      2.00000
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   1173      -2.7214      2.00000
   1174      -2.7100      2.00000
   1175      -2.6979      2.00000
   1176      -2.6867      2.00000
   1177      -2.6481      2.00000
   1178      -2.6440      2.00000
   1179      -2.6373      2.00000
   1180      -2.6291      2.00000
   1181      -2.6264      2.00000
   1182      -2.6163      2.00000
   1183      -2.6040      2.00000
   1184      -2.5994      2.00000
   1185      -2.5981      2.00000
   1186      -2.5805      2.00000
   1187      -2.5739      2.00000
   1188      -2.5641      2.00000
   1189      -2.5582      2.00000
   1190      -2.5538      2.00000
   1191      -2.5439      2.00000
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   1193      -2.5307      2.00000
   1194      -2.5186      2.00000
   1195      -2.5103      2.00000
   1196      -2.5028      2.00000
   1197      -2.4970      2.00000
   1198      -2.4884      2.00000
   1199      -2.4782      2.00000
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   1201      -2.4588      2.00000
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   1203      -2.4511      2.00000
   1204      -2.4391      2.00000
   1205      -2.4380      2.00000
   1206      -2.4330      2.00000
   1207      -2.4255      2.00000
   1208      -2.4206      2.00000
   1209      -2.4130      2.00000
   1210      -2.4098      2.00000
   1211      -2.4021      2.00000
   1212      -2.4004      2.00000
   1213      -2.3992      2.00000
   1214      -2.3946      2.00000
   1215      -2.3900      2.00000
   1216      -2.3856      2.00000
   1217      -2.3845      2.00000
   1218      -2.3782      2.00000
   1219      -2.3752      2.00000
   1220      -2.3719      2.00000
   1221      -2.3704      2.00000
   1222      -2.3624      2.00000
   1223      -2.3550      2.00000
   1224      -2.3506      2.00000
   1225      -2.3306      2.00000
   1226      -2.3239      2.00000
   1227      -2.3125      2.00000
   1228      -2.2982      2.00000
   1229      -2.2946      2.00000
   1230      -2.2824      2.00000
   1231      -2.2775      2.00000
   1232      -2.2670      2.00000
   1233      -2.2524      2.00000
   1234      -2.2422      2.00000
   1235      -2.2367      2.00000
   1236      -2.2323      2.00000
   1237      -2.2030      2.00000
   1238      -1.8057      2.03949
   1239      -1.7422      2.06654
   1240      -1.7263      2.07017
   1241      -1.7223      2.07063
   1242      -1.7038      2.06966
   1243      -1.6774      2.05610
   1244      -1.6499      2.02066
   1245      -1.6344      1.98808
   1246      -1.6245      1.96216
   1247      -1.6189      1.94529
   1248      -1.6028      1.88877
   1249      -1.5873      1.82242
   1250       0.1153     -0.00000
   1251       0.1587     -0.00000
   1252       0.1812     -0.00000
   1253       0.2302     -0.00000
   1254       0.2373     -0.00000
   1255       0.2462     -0.00000
   1256       0.2537     -0.00000
   1257       0.2879     -0.00000
   1258       0.3299     -0.00000
   1259       0.3383     -0.00000
   1260       0.3632     -0.00000
   1261       0.4343     -0.00000
   1262       0.6036     -0.00000
   1263       0.6355     -0.00000
   1264       0.6667     -0.00000
   1265       0.6940     -0.00000
   1266       0.7064     -0.00000
   1267       0.7192     -0.00000
   1268       0.7567     -0.00000
   1269       0.7710     -0.00000
   1270       0.8006     -0.00000
   1271       0.8093     -0.00000
   1272       0.8420     -0.00000
   1273       0.8629     -0.00000
   1274       0.8712     -0.00000
   1275       0.9006     -0.00000
   1276       0.9074     -0.00000
   1277       0.9179     -0.00000
   1278       0.9479     -0.00000
   1279       0.9855     -0.00000
   1280       1.0003     -0.00000
   1281       1.0072     -0.00000
   1282       1.0549     -0.00000
   1283       1.1072     -0.00000
   1284       1.1154     -0.00000
   1285       1.2051     -0.00000
   1286       1.2266     -0.00000
   1287       1.2470     -0.00000
   1288       1.3077     -0.00000
   1289       1.3615     -0.00000
   1290       1.3868     -0.00000
   1291       1.4497     -0.00000
   1292       1.5076     -0.00000
   1293       1.5172     -0.00000
   1294       1.5601     -0.00000
   1295       1.5858     -0.00000
   1296       1.6183     -0.00000
   1297       1.6587     -0.00000
   1298       1.8015     -0.00000
   1299       1.8494     -0.00000
   1300       1.8599     -0.00000
   1301       1.8924     -0.00000
   1302       1.8995     -0.00000
   1303       1.9263     -0.00000
   1304       1.9829     -0.00000
   1305       1.9922     -0.00000
   1306       2.0205     -0.00000
   1307       2.0468     -0.00000
   1308       2.0611     -0.00000
   1309       2.0994     -0.00000
   1310       2.1135     -0.00000
   1311       2.1328     -0.00000
   1312       2.1451     -0.00000
   1313       2.1653     -0.00000
   1314       2.1820     -0.00000
   1315       2.1946     -0.00000
   1316       2.2125     -0.00000
   1317       2.2228     -0.00000
   1318       2.2340     -0.00000
   1319       2.2435     -0.00000
   1320       2.2672     -0.00000
   1321       2.3498     -0.00000
   1322       2.4274     -0.00000
   1323       2.4468     -0.00000
   1324       2.4518     -0.00000
   1325       2.4759     -0.00000
   1326       2.4931     -0.00000
   1327       2.5133     -0.00000
   1328       2.5275     -0.00000
   1329       2.5418     -0.00000
   1330       2.5427     -0.00000
   1331       2.5464     -0.00000
   1332       2.5620     -0.00000
   1333       2.5843     -0.00000
   1334       2.5909     -0.00000
   1335       2.6174     -0.00000
   1336       2.6328     -0.00000
   1337       2.6392     -0.00000
   1338       2.6502     -0.00000
   1339       2.6575     -0.00000
   1340       2.6629     -0.00000
   1341       2.6729     -0.00000
   1342       2.6975     -0.00000
   1343       2.7417     -0.00000
   1344       2.7735     -0.00000
   1345       2.7963     -0.00000
   1346       2.9540     -0.00000
   1347       2.9786     -0.00000
   1348       3.0081     -0.00000
   1349       3.0223     -0.00000
   1350       3.0381     -0.00000
   1351       3.0617     -0.00000
   1352       3.0697     -0.00000
   1353       3.0831     -0.00000
   1354       3.1157     -0.00000
   1355       3.1437     -0.00000
   1356       3.1494     -0.00000
   1357       3.1634     -0.00000
   1358       3.1692     -0.00000
   1359       3.1889     -0.00000
   1360       3.2187     -0.00000
   1361       3.2590     -0.00000
   1362       3.3119     -0.00000
   1363       3.4427     -0.00000
   1364       3.5178     -0.00000
   1365       3.5562     -0.00000
   1366       3.5949     -0.00000
   1367       3.6338     -0.00000
   1368       3.6997     -0.00000
   1369       3.7156     -0.00000
   1370       3.7508     -0.00000
   1371       3.7911     -0.00000
   1372       3.7972     -0.00000
   1373       3.8402     -0.00000
   1374       3.8428     -0.00000
   1375       3.8557      0.00000
   1376       3.8845      0.00000
   1377       3.8977      0.00000
   1378       3.9133      0.00000
   1379       3.9240      0.00000
   1380       3.9359      0.00000
   1381       3.9444      0.00000
   1382       3.9548      0.00000
   1383       3.9662      0.00000
   1384       3.9825      0.00000
   1385       3.9951      0.00000
   1386       4.0029      0.00000
   1387       4.0182      0.00000
   1388       4.0281      0.00000
   1389       4.0388      0.00000
   1390       4.0484      0.00000
   1391       4.0635      0.00000
   1392       4.0677      0.00000
   1393       4.0971      0.00000
   1394       4.1044      0.00000
   1395       4.1103      0.00000
   1396       4.1186      0.00000
   1397       4.1390      0.00000
   1398       4.1410      0.00000
   1399       4.1573      0.00000
   1400       4.1769      0.00000
   1401       4.1866      0.00000
   1402       4.2115      0.00000
   1403       4.2195      0.00000
   1404       4.2329      0.00000
   1405       4.2385      0.00000
   1406       4.2454      0.00000
   1407       4.2594      0.00000
   1408       4.2970      0.00000
   1409       4.3110      0.00000
   1410       4.3208      0.00000
   1411       4.3276      0.00000
   1412       4.3459      0.00000
   1413       4.3534      0.00000
   1414       4.3681      0.00000
   1415       4.3859      0.00000
   1416       4.3992      0.00000
   1417       4.4181      0.00000
   1418       4.4206      0.00000
   1419       4.4401      0.00000
   1420       4.4440      0.00000
   1421       4.4623      0.00000
   1422       4.4634      0.00000
   1423       4.4759      0.00000
   1424       4.5059      0.00000
   1425       4.5261      0.00000
   1426       4.5380      0.00000
   1427       4.5473      0.00000
   1428       4.5594      0.00000
   1429       4.5914      0.00000
   1430       4.6072      0.00000
   1431       4.6347      0.00000
   1432       4.6510      0.00000
   1433       4.6746      0.00000
   1434       4.7044      0.00000
   1435       4.7437      0.00000
   1436       4.7769      0.00000
   1437       4.7935      0.00000
   1438       4.8044      0.00000
   1439       4.8252      0.00000
   1440       4.8397      0.00000
   1441       4.8687      0.00000
   1442       4.8707      0.00000
   1443       4.9157      0.00000
   1444       4.9278      0.00000
   1445       4.9289      0.00000
   1446       4.9427      0.00000
   1447       4.9657      0.00000
   1448       4.9785      0.00000
   1449       5.0001      0.00000
   1450       5.0157      0.00000
   1451       5.0336      0.00000
   1452       5.0406      0.00000
   1453       5.0626      0.00000
   1454       5.0796      0.00000
   1455       5.0938      0.00000
   1456       5.1027      0.00000
   1457       5.1314      0.00000
   1458       5.1368      0.00000
   1459       5.1393      0.00000
   1460       5.1694      0.00000
   1461       5.1864      0.00000
   1462       5.2049      0.00000
   1463       5.2129      0.00000
   1464       5.2360      0.00000
   1465       5.2438      0.00000
   1466       5.2541      0.00000
   1467       5.2639      0.00000
   1468       5.2783      0.00000
   1469       5.2869      0.00000
   1470       5.3008      0.00000
   1471       5.3123      0.00000
   1472       5.3285      0.00000
   1473       5.3387      0.00000
   1474       5.3444      0.00000
   1475       5.3531      0.00000
   1476       5.3552      0.00000
   1477       5.3682      0.00000
   1478       5.3738      0.00000
   1479       5.3783      0.00000
   1480       5.3978      0.00000
   1481       5.4006      0.00000
   1482       5.4166      0.00000
   1483       5.4215      0.00000
   1484       5.4295      0.00000
   1485       5.4406      0.00000
   1486       5.4433      0.00000
   1487       5.4505      0.00000
   1488       5.4657      0.00000
   1489       5.4754      0.00000
   1490       5.4855      0.00000
   1491       5.4974      0.00000
   1492       5.5003      0.00000
   1493       5.5105      0.00000
   1494       5.5128      0.00000
   1495       5.5204      0.00000
   1496       5.5253      0.00000
   1497       5.5345      0.00000
   1498       5.5515      0.00000
   1499       5.5560      0.00000
   1500       5.5589      0.00000
   1501       5.5650      0.00000
   1502       5.5897      0.00000
   1503       5.5936      0.00000
   1504       5.6009      0.00000
   1505       5.6084      0.00000
   1506       5.6190      0.00000
   1507       5.6312      0.00000
   1508       5.6320      0.00000
   1509       5.6389      0.00000
   1510       5.6473      0.00000
   1511       5.6518      0.00000
   1512       5.6621      0.00000
   1513       5.6771      0.00000
   1514       5.6965      0.00000
   1515       5.7065      0.00000
   1516       5.7155      0.00000
   1517       5.7169      0.00000
   1518       5.7238      0.00000
   1519       5.7348      0.00000
   1520       5.7500      0.00000
   1521       5.7506      0.00000
   1522       5.7644      0.00000
   1523       5.7727      0.00000
   1524       5.7816      0.00000
   1525       5.7998      0.00000
   1526       5.8078      0.00000
   1527       5.8175      0.00000
   1528       5.8234      0.00000
   1529       5.8464      0.00000
   1530       5.8504      0.00000
   1531       5.8608      0.00000
   1532       5.8633      0.00000
   1533       5.8701      0.00000
   1534       5.8812      0.00000
   1535       5.8870      0.00000
   1536       5.8927      0.00000
   1537       5.9104      0.00000
   1538       5.9163      0.00000
   1539       5.9253      0.00000
   1540       5.9309      0.00000
   1541       5.9629      0.00000
   1542       5.9705      0.00000
   1543       5.9800      0.00000
   1544       5.9821      0.00000
   1545       5.9869      0.00000
   1546       6.0004      0.00000
   1547       6.0041      0.00000
   1548       6.0118      0.00000
   1549       6.0250      0.00000
   1550       6.0325      0.00000
   1551       6.0424      0.00000
   1552       6.0456      0.00000
   1553       6.0499      0.00000
   1554       6.0639      0.00000
   1555       6.0707      0.00000
   1556       6.0794      0.00000
   1557       6.0918      0.00000
   1558       6.1020      0.00000
   1559       6.1060      0.00000
   1560       6.1198      0.00000
   1561       6.1348      0.00000
   1562       6.1358      0.00000
   1563       6.1452      0.00000
   1564       6.1532      0.00000
   1565       6.1631      0.00000
   1566       6.1707      0.00000
   1567       6.1854      0.00000
   1568       6.1969      0.00000
   1569       6.1997      0.00000
   1570       6.2150      0.00000
   1571       6.2204      0.00000
   1572       6.2312      0.00000
   1573       6.2350      0.00000
   1574       6.2385      0.00000
   1575       6.2454      0.00000
   1576       6.2615      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.089  13.414  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.414  17.834  -0.001   0.002  -0.000   0.002  -0.006   0.001
 -0.001  -0.001  -4.235   0.003   0.001   8.283  -0.005  -0.001
  0.001   0.002   0.003  -4.235   0.001  -0.005   8.282  -0.001
 -0.000  -0.000   0.001   0.001  -4.228  -0.001  -0.001   8.274
  0.002   0.002   8.283  -0.005  -0.001 -18.332   0.008   0.001
 -0.004  -0.006  -0.005   8.282  -0.001   0.008 -18.327   0.000
  0.000   0.001  -0.001  -0.001   8.274   0.001   0.000 -18.322
 total augmentation occupancy for first ion, spin component:           1
  8.397  -3.774   0.176   0.147  -0.052   0.022   0.027  -0.009
 -3.774   1.769  -0.091  -0.100   0.031  -0.009  -0.016   0.005
  0.176  -0.091   1.772  -0.061  -0.039   0.168  -0.012  -0.007
  0.147  -0.100  -0.061   1.889  -0.092  -0.012   0.176  -0.013
 -0.052   0.031  -0.039  -0.092   1.226  -0.007  -0.013   0.081
  0.022  -0.009   0.168  -0.012  -0.007   0.018  -0.002  -0.001
  0.027  -0.016  -0.012   0.176  -0.013  -0.002   0.018  -0.002
 -0.009   0.005  -0.007  -0.013   0.081  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -49650.02244 87034.23936 20778.37826 -9918.12139  6194.13758 18670.19764
  Hartree  6055.10470113984.20373 58654.46263-10369.84949  4155.96065 12907.38091
  E(xc)  -10733.73208-10586.28056-10628.09119     2.84178     8.27905    33.61657
  Local   10166.00837************************ 20287.78084-10366.45489-30970.99969
  n-local -5841.29370 -5979.34988 -6033.39826     4.93433    16.18211   -66.06272
  augment  1493.24540  1535.14458  1487.63299     4.49612    12.51024    -3.64095
  Kinetic 45479.86202 43245.78972 43646.57424   -33.01155   -69.09640  -580.81427
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -122.9690051   -401.6113001   -167.5013482    -20.9293638    -48.4816454    -10.3225095
  in kB      -20.5060659    -66.9718989    -27.9321905     -3.4901389     -8.0847024     -1.7213611
  external PRESSURE =     -38.4700518 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.225E+03 -.106E+03 0.244E+03   0.225E+03 0.107E+03 -.246E+03   -.143E+00 -.510E+00 0.156E+01   0.217E-02 0.606E-03 0.127E-02
   -.183E+03 -.133E+03 0.604E+02   0.182E+03 0.134E+03 -.601E+02   0.261E+00 -.116E+01 -.316E+00   0.123E-02 0.482E-03 0.131E-02
   -.150E+03 -.123E+03 0.578E+01   0.150E+03 0.124E+03 -.423E+01   0.423E+00 -.133E+01 -.167E+01   0.131E-02 0.372E-03 0.145E-02
   -.210E+03 -.915E+02 0.329E+03   0.210E+03 0.915E+02 -.332E+03   -.336E+00 0.458E-01 0.251E+01   0.338E-02 0.102E-03 0.157E-02
   -.158E+03 -.144E+03 0.295E+03   0.158E+03 0.145E+03 -.296E+03   0.179E+00 -.797E+00 0.114E+01   0.335E-02 0.382E-03 0.185E-02
   -.137E+03 -.110E+03 0.167E+03   0.136E+03 0.111E+03 -.168E+03   0.860E-01 -.824E-01 0.166E+00   0.223E-02 0.634E-03 0.149E-02
   -.228E+03 -.130E+03 0.173E+03   0.227E+03 0.134E+03 -.174E+03   0.412E+00 -.445E+01 0.958E+00   0.182E-02 0.134E-02 0.121E-02
   -.181E+03 -.102E+03 0.310E+02   0.182E+03 0.106E+03 -.331E+02   -.679E+00 -.397E+01 0.200E+01   0.446E-03 0.755E-03 0.142E-02
   -.958E+02 0.435E+01 0.194E+03   0.958E+02 -.435E+01 -.195E+03   0.157E+00 0.130E-01 0.805E-01   0.224E-02 0.988E-03 0.113E-02
   -.781E+02 0.875E+02 0.612E+02   0.777E+02 -.890E+02 -.601E+02   0.352E+00 0.158E+01 -.119E+01   0.187E-02 0.311E-03 0.990E-03
   -.807E+02 0.103E+03 0.132E+03   0.805E+02 -.104E+03 -.132E+03   0.289E+00 0.103E+01 -.307E-01   0.192E-02 -.550E-03 0.467E-03
   -.954E+02 -.447E+01 0.327E+03   0.955E+02 0.423E+01 -.328E+03   0.410E-02 0.283E+00 0.120E+01   0.259E-02 0.120E-02 0.807E-03
   -.105E+03 -.461E+02 0.355E+03   0.105E+03 0.470E+02 -.357E+03   -.335E+00 -.107E+01 0.223E+01   0.205E-02 0.335E-03 -.846E-04
   -.102E+03 0.181E+02 0.298E+03   0.102E+03 -.183E+02 -.300E+03   0.451E-01 -.843E-02 0.158E+01   0.181E-02 -.111E-02 -.151E-03
   -.992E+02 0.102E+03 0.262E+03   0.986E+02 -.106E+03 -.264E+03   0.512E+00 0.401E+01 0.244E+01   0.145E-02 -.243E-02 -.263E-03
   -.792E+02 0.115E+03 0.981E+02   0.791E+02 -.118E+03 -.101E+03   0.208E-01 0.294E+01 0.339E+01   0.177E-02 -.181E-02 0.639E-03
   -.630E+02 0.104E+03 0.492E+02   0.634E+02 -.990E+02 -.450E+02   -.487E+00 -.460E+01 -.436E+01   0.162E-02 -.246E-02 -.220E-03
   0.277E+01 0.203E+03 -.150E+03   -.326E+01 -.205E+03 0.152E+03   0.374E+00 0.190E+01 -.206E+01   0.177E-02 -.222E-02 -.318E-03
   0.366E+02 0.152E+03 -.197E+03   -.370E+02 -.152E+03 0.199E+03   0.403E+00 0.318E+00 -.177E+01   0.187E-02 -.784E-03 -.231E-03
   -.639E+02 0.101E+03 0.178E+03   0.651E+02 -.100E+03 -.182E+03   -.113E+01 -.857E+00 0.316E+01   0.152E-02 -.135E-02 0.419E-03
   0.570E+01 0.638E+02 0.456E+01   -.693E+01 -.654E+02 -.329E+01   0.121E+01 0.149E+01 -.130E+01   0.163E-02 -.186E-03 0.568E-03
   0.186E+02 0.101E+02 -.123E+03   -.186E+02 -.103E+02 0.124E+03   -.161E-01 0.199E+00 -.930E+00   0.167E-02 0.218E-03 0.317E-03
   -.164E+02 -.391E+02 -.172E+03   0.167E+02 0.393E+02 0.171E+03   -.323E+00 -.200E+00 0.548E+00   0.146E-02 0.852E-03 0.135E-03
   -.303E+02 -.798E+02 -.228E+03   0.315E+02 0.815E+02 0.227E+03   -.113E+01 -.155E+01 0.110E+01   0.837E-03 0.128E-02 0.214E-03
   -.111E+02 -.160E+03 -.331E+03   0.106E+02 0.161E+03 0.332E+03   0.600E+00 -.556E+00 -.168E+01   0.385E-03 0.135E-02 0.749E-03
   -.957E+02 -.162E+03 -.156E+03   0.969E+02 0.162E+03 0.154E+03   -.114E+01 -.460E-01 0.170E+01   0.189E-02 0.809E-03 0.377E-03
   -.888E+02 -.274E+03 -.187E+03   0.893E+02 0.275E+03 0.186E+03   -.465E+00 -.776E+00 0.249E+00   0.201E-02 0.994E-03 0.480E-03
   -.336E+02 -.263E+03 -.281E+03   0.335E+02 0.264E+03 0.282E+03   0.186E+00 -.130E+01 -.461E+00   0.147E-02 0.117E-02 0.808E-03
   -.405E+02 -.265E+02 -.221E+03   0.462E+02 0.344E+02 0.216E+03   -.583E+01 -.796E+01 0.471E+01   0.288E-04 0.110E-02 0.106E-02
   0.581E+00 0.527E+02 0.233E+02   -.537E+01 -.614E+02 -.186E+02   0.475E+01 0.869E+01 -.478E+01   0.170E-02 -.160E-04 0.176E-02
   -.187E+03 -.233E+02 -.475E+02   0.187E+03 0.236E+02 0.491E+02   -.317E+00 -.717E-01 -.164E+01   -.793E-03 -.651E-03 0.113E-02
   -.123E+03 -.143E+03 0.135E+03   0.123E+03 0.144E+03 -.135E+03   0.491E-02 -.127E+01 -.216E+00   -.568E-03 -.232E-03 0.166E-02
   -.130E+03 -.155E+03 0.190E+03   0.130E+03 0.157E+03 -.191E+03   0.414E+00 -.177E+01 0.113E+01   -.430E-03 0.108E-03 0.976E-03
   -.284E+03 0.117E+02 -.173E+03   0.284E+03 -.131E+02 0.176E+03   -.924E-01 0.145E+01 -.257E+01   0.124E-03 -.885E-03 -.168E-03
   -.279E+03 -.608E+02 -.185E+03   0.279E+03 0.609E+02 0.186E+03   -.545E-01 -.184E+00 -.121E+01   0.863E-03 -.329E-03 -.407E-03
   -.197E+03 -.712E+02 0.795E+01   0.196E+03 0.711E+02 -.796E+01   0.292E+00 0.919E-01 0.403E-01   0.179E-03 -.272E-03 0.101E-03
   -.101E+03 -.501E+02 -.141E+02   0.102E+03 0.539E+02 0.167E+02   -.858E+00 -.404E+01 -.257E+01   -.133E-02 0.111E-03 0.203E-02
   -.656E+02 -.134E+03 0.109E+03   0.657E+02 0.137E+03 -.105E+03   -.678E-01 -.303E+01 -.360E+01   -.548E-03 0.633E-04 0.273E-02
   -.172E+03 0.484E+02 0.826E+01   0.172E+03 -.487E+02 -.837E+01   0.112E+00 0.239E+00 0.580E-01   0.427E-03 -.427E-03 -.330E-03
   -.911E+02 0.535E+02 0.210E+03   0.908E+02 -.546E+02 -.212E+03   0.331E+00 0.111E+01 0.181E+01   -.296E-03 -.364E-03 -.473E-03
   -.658E+02 0.746E+02 0.122E+03   0.658E+02 -.760E+02 -.123E+03   -.110E+00 0.127E+01 0.388E+00   -.254E-03 -.121E-02 -.620E-03
   -.209E+03 0.935E+02 -.216E+03   0.209E+03 -.944E+02 0.217E+03   -.128E+00 0.995E+00 -.877E+00   0.134E-02 -.499E-03 -.569E-03
   -.174E+03 0.469E+02 -.290E+03   0.174E+03 -.470E+02 0.292E+03   0.896E-01 0.218E+00 -.227E+01   0.941E-03 -.117E-02 -.660E-03
   -.105E+03 0.576E+02 -.143E+03   0.106E+03 -.585E+02 0.144E+03   -.362E+00 0.868E+00 -.136E+01   0.339E-04 -.163E-02 -.772E-03
   -.527E+02 0.979E+02 -.782E+02   0.527E+02 -.102E+03 0.789E+02   0.129E+00 0.475E+01 -.530E+00   -.605E-03 -.206E-02 -.110E-02
   -.165E+02 0.773E+02 0.138E+03   0.162E+02 -.817E+02 -.136E+03   0.553E+00 0.427E+01 -.195E+01   -.613E-03 -.187E-02 -.982E-03
   0.280E+02 0.449E+02 0.106E+03   -.265E+02 -.393E+02 -.107E+03   -.128E+01 -.563E+01 0.196E+01   -.432E-03 -.131E-02 -.807E-04
   -.167E+02 0.131E+03 0.266E+03   0.177E+02 -.132E+03 -.268E+03   -.947E+00 0.128E+01 0.233E+01   -.160E-03 -.130E-02 -.125E-04
   -.372E+02 0.121E+03 0.226E+03   0.382E+02 -.120E+03 -.228E+03   -.977E+00 -.240E+00 0.207E+01   -.421E-03 -.469E-03 0.732E-03
   0.529E+02 0.683E+02 -.366E+02   -.540E+02 -.684E+02 0.396E+02   0.112E+01 0.174E+00 -.297E+01   -.584E-03 0.167E-03 0.190E-03
   0.150E+02 0.245E+02 0.401E+02   -.146E+02 -.255E+02 -.423E+02   -.199E+00 0.871E+00 0.227E+01   -.506E-03 0.869E-03 0.623E-03
   -.180E+02 0.111E+02 0.870E+02   0.185E+02 -.109E+02 -.877E+02   -.588E+00 -.194E+00 0.105E+01   -.427E-03 0.652E-03 0.894E-03
   -.729E+02 -.145E+01 0.360E+02   0.728E+02 0.142E+01 -.355E+02   0.101E+00 0.128E+00 -.739E+00   -.579E-03 0.933E-03 0.122E-02
   -.140E+03 -.132E+02 0.816E+02   0.139E+03 0.140E+02 -.799E+02   0.920E+00 -.918E+00 -.159E+01   -.494E-03 0.112E-02 0.162E-02
   -.231E+03 -.681E+02 0.146E+03   0.232E+03 0.682E+02 -.149E+03   -.172E+01 -.948E-01 0.303E+01   0.195E-04 0.130E-02 0.165E-02
   -.746E+02 -.106E+03 -.113E+03   0.740E+02 0.106E+03 0.114E+03   0.556E+00 0.412E+00 -.174E+01   -.825E-03 0.134E-02 0.108E-02
   -.101E+03 -.113E+03 -.161E+03   0.100E+03 0.114E+03 0.164E+03   0.893E+00 -.123E+01 -.275E+01   -.740E-03 0.154E-02 0.148E-02
   -.168E+03 -.453E+02 0.183E+02   0.166E+03 0.392E+02 -.163E+02   0.121E+01 0.601E+01 -.206E+01   0.135E-03 0.157E-02 0.146E-02
   -.174E+03 0.170E+02 0.125E+03   0.171E+03 -.109E+02 -.117E+03   0.350E+01 -.593E+01 -.825E+01   -.322E-03 0.692E-03 0.135E-02
   -.410E+02 -.251E+01 -.323E+02   0.423E+02 -.396E+01 0.233E+02   -.129E+01 0.646E+01 0.889E+01   -.106E-02 0.115E-02 0.259E-03
   -.341E+03 -.754E+02 0.836E+02   0.341E+03 0.762E+02 -.848E+02   -.698E-01 -.529E+00 0.128E+01   0.313E-03 0.324E-02 0.119E-03
   -.340E+03 -.103E+03 -.809E+02   0.340E+03 0.105E+03 0.813E+02   0.944E-01 -.137E+01 -.520E+00   0.184E-03 0.280E-02 -.438E-03
   -.308E+03 -.940E+02 -.133E+03   0.308E+03 0.952E+02 0.135E+03   0.134E+00 -.113E+01 -.185E+01   0.689E-03 0.243E-02 -.295E-03
   -.287E+03 -.607E+02 0.170E+03   0.287E+03 0.608E+02 -.172E+03   -.155E+00 0.668E-01 0.228E+01   0.104E-02 0.282E-02 0.202E-03
   -.237E+03 -.107E+03 0.130E+03   0.237E+03 0.108E+03 -.131E+03   0.271E-01 -.804E+00 0.962E+00   0.111E-02 0.197E-02 -.130E-04
   -.257E+03 -.765E+02 -.206E+01   0.257E+03 0.767E+02 0.217E+01   0.397E-01 -.470E-01 -.388E-01   0.792E-03 0.169E-02 -.731E-04
   -.359E+03 -.101E+03 0.110E+02   0.359E+03 0.105E+03 -.116E+02   0.131E+00 -.445E+01 0.475E+00   -.885E-04 0.282E-02 0.903E-03
   -.346E+03 -.929E+02 -.530E+02   0.347E+03 0.970E+02 0.519E+02   -.704E+00 -.417E+01 0.209E+01   -.355E-03 0.234E-02 -.772E-03
   -.214E+03 0.432E+02 0.168E+02   0.214E+03 -.433E+02 -.168E+02   0.847E-01 -.406E-01 -.902E-02   0.653E-03 0.700E-03 0.230E-03
   -.245E+03 0.117E+03 -.814E+02   0.245E+03 -.118E+03 0.826E+02   -.306E-01 0.160E+01 -.126E+01   0.872E-03 -.127E-03 0.743E-03
   -.236E+03 0.126E+03 -.303E+01   0.235E+03 -.127E+03 0.292E+01   0.193E+00 0.126E+01 0.695E-01   0.501E-03 -.119E-02 0.207E-03
   -.159E+03 0.392E+02 0.129E+03   0.159E+03 -.395E+02 -.130E+03   0.757E-02 0.268E+00 0.117E+01   0.286E-03 -.622E-04 0.167E-03
   -.156E+03 -.152E+02 0.138E+03   0.157E+03 0.162E+02 -.140E+03   -.274E+00 -.110E+01 0.246E+01   -.104E-03 -.219E-03 -.960E-04
   -.204E+03 0.319E+02 0.121E+03   0.203E+03 -.323E+02 -.122E+03   0.162E+00 0.155E+00 0.152E+01   0.102E-03 -.110E-02 -.398E-03
   -.225E+03 0.968E+02 0.113E+03   0.225E+03 -.101E+03 -.115E+03   0.338E+00 0.411E+01 0.226E+01   0.283E-04 -.128E-02 -.123E-02
   -.257E+03 0.143E+03 0.628E+02   0.257E+03 -.147E+03 -.659E+02   -.654E-01 0.326E+01 0.333E+01   0.348E-03 -.226E-02 -.275E-03
   -.245E+03 0.107E+03 0.898E+02   0.244E+03 -.102E+03 -.860E+02   0.478E+00 -.468E+01 -.389E+01   -.350E-03 -.198E-02 -.121E-02
   -.128E+03 0.197E+03 0.154E+02   0.127E+03 -.198E+03 -.140E+02   0.121E+01 0.137E+01 -.136E+01   -.301E-03 -.141E-02 -.625E-03
   -.749E+02 0.115E+03 0.435E+02   0.738E+02 -.115E+03 -.418E+02   0.112E+01 0.300E-01 -.167E+01   -.482E-03 -.157E-03 -.113E-04
   -.299E+03 0.957E+02 0.182E+03   0.301E+03 -.951E+02 -.185E+03   -.180E+01 -.501E+00 0.216E+01   -.751E-03 -.117E-02 -.108E-02
   -.203E+03 0.489E+02 0.104E+03   0.201E+03 -.501E+02 -.103E+03   0.132E+01 0.122E+01 -.105E+01   -.121E-02 -.378E-03 -.305E-03
   -.136E+03 -.517E+01 0.855E+02   0.136E+03 0.493E+01 -.850E+02   0.194E+00 0.848E-01 -.742E+00   -.102E-02 0.459E-03 0.494E-03
   -.120E+03 -.754E+01 0.112E+03   0.120E+03 0.778E+01 -.113E+03   -.328E+00 -.836E-01 0.863E+00   -.727E-03 0.624E-03 0.123E-02
   -.689E+02 -.421E+02 0.645E+02   0.701E+02 0.439E+02 -.656E+02   -.124E+01 -.182E+01 0.138E+01   -.491E-03 0.922E-03 0.189E-02
   0.508E+01 -.544E+02 -.245E+02   -.684E+01 0.538E+02 0.270E+02   0.182E+01 0.367E+00 -.258E+01   -.959E-03 0.595E-03 0.278E-02
   -.177E+03 -.126E+03 0.161E+03   0.178E+03 0.126E+03 -.163E+03   -.103E+01 -.146E+00 0.186E+01   -.680E-03 0.117E-03 0.132E-02
   -.137E+03 -.193E+03 0.186E+03   0.138E+03 0.195E+03 -.187E+03   -.920E+00 -.134E+01 0.146E+01   -.353E-03 -.204E-03 0.209E-02
   -.398E+02 -.839E+02 0.957E+02   0.402E+02 0.796E+02 -.995E+02   -.511E+00 0.428E+01 0.393E+01   -.796E-03 0.402E-03 0.269E-02
   -.543E+02 -.310E+02 0.495E+02   0.593E+02 0.399E+02 -.542E+02   -.518E+01 -.887E+01 0.482E+01   -.190E-03 0.170E-02 0.203E-02
   -.247E+03 0.415E+02 0.881E+02   0.241E+03 -.494E+02 -.835E+02   0.570E+01 0.797E+01 -.457E+01   -.265E-03 0.951E-04 -.258E-03
   -.211E+03 -.213E+02 -.116E+03   0.211E+03 0.216E+02 0.118E+03   -.444E+00 -.264E+00 -.143E+01   -.786E-03 0.141E-02 -.340E-03
   -.178E+03 -.144E+03 0.501E+02   0.178E+03 0.145E+03 -.500E+02   -.686E-01 -.136E+01 -.108E-02   -.962E-04 0.119E-02 -.137E-03
   -.165E+03 -.175E+03 0.101E+03   0.165E+03 0.177E+03 -.102E+03   0.513E+00 -.167E+01 0.111E+01   0.351E-03 0.717E-03 -.211E-03
   -.261E+03 0.314E+02 -.206E+03   0.261E+03 -.327E+02 0.208E+03   0.109E+00 0.133E+01 -.235E+01   -.478E-03 0.192E-02 0.260E-04
   -.271E+03 -.479E+02 -.173E+03   0.271E+03 0.480E+02 0.174E+03   -.144E+00 -.225E+00 -.119E+01   0.607E-03 0.155E-02 0.657E-03
   -.193E+03 -.933E+02 -.134E+02   0.193E+03 0.931E+02 0.133E+02   0.295E+00 0.179E+00 0.892E-01   0.676E-03 0.561E-03 0.282E-03
   -.135E+03 -.603E+02 -.985E+02   0.136E+03 0.640E+02 0.101E+03   -.659E+00 -.404E+01 -.235E+01   -.166E-02 0.134E-02 -.411E-03
   -.143E+03 -.130E+03 0.452E+01   0.143E+03 0.133E+03 -.903E+00   0.225E+00 -.297E+01 -.357E+01   -.516E-03 0.136E-02 0.113E-03
   -.145E+03 0.279E+02 0.350E+02   0.145E+03 -.282E+02 -.351E+02   0.358E-01 0.212E+00 0.725E-01   0.131E-02 -.448E-03 0.480E-03
   -.718E+02 0.240E+02 0.175E+03   0.717E+02 -.249E+02 -.177E+03   0.163E+00 0.106E+01 0.183E+01   0.164E-02 -.993E-03 0.213E-03
   -.315E+02 0.615E+02 0.137E+03   0.315E+02 -.629E+02 -.137E+03   -.883E-01 0.118E+01 0.591E+00   0.189E-02 -.121E-02 0.173E-03
   -.189E+03 0.103E+03 -.886E+02   0.189E+03 -.104E+03 0.895E+02   -.243E+00 0.117E+01 -.103E+01   0.158E-02 -.930E-03 0.808E-03
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 -----------------------------------------------------------------------------------------------
   0.323E+02 0.371E+01 -.201E+02   0.233E-11 0.114E-11 -.335E-11   -.321E+02 -.370E+01 0.201E+02   -.200E+00 -.776E-02 0.535E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.16136      3.14958      1.33543         0.017457      0.115245      0.130771
     12.92156      3.58788      2.63780         0.041885      0.088136     -0.030852
     12.86726      4.94991      2.96649         0.067726     -0.229655     -0.117818
     13.21030      4.07571      0.29559        -0.003480      0.053117      0.103213
     13.07405      5.43317      0.60798         0.096311     -0.059262      0.079318
     12.98513      5.92112      1.93815         0.025506      0.157769     -0.009519
     13.30129      1.66666      1.35323         0.010223     -0.155386     -0.304560
     12.72461      2.38050      3.50173        -0.027237      0.111166     -0.091270
     13.07342      7.40477      2.21280         0.067956      0.009479     -0.129547
     13.08863      7.95181      3.52190        -0.022500      0.116019     -0.056927
     13.30758      9.32158      3.70386         0.057768     -0.053407     -0.081803
     13.24035      8.32597      1.14233         0.090081      0.045810      0.081155
     13.46759      9.69770      1.32830        -0.073054     -0.153386     -0.006932
     13.51393     10.18958      2.63212         0.054091     -0.199529      0.111318
     13.77121     11.55540      3.16345        -0.101408      0.425397      0.000104
     13.38446     10.11499      4.97152        -0.068240     -0.173683      0.162070
     13.75495     12.57247      5.53178        -0.001836     -0.068819     -0.233114
     13.49720     12.43684      6.89985        -0.109174     -0.013568     -0.050519
     13.54889     13.53648      7.74534        -0.005866      0.177583      0.191290
     14.10386     13.86087      5.10401        -0.017042      0.045658     -0.176234
     14.15671     14.96289      5.97350        -0.019846     -0.036094     -0.029724
     13.85365     14.85670      7.37346        -0.065151     -0.063458     -0.056805
     13.89185     15.96323      8.41517         0.068266      0.014748     -0.007298
     13.23043     16.00899      9.69558         0.020659      0.194882      0.113171
     13.30481     17.16261     10.50188         0.057684      0.202764      0.016138
     14.66028     17.11142      8.14533         0.059161      0.106947      0.118133
     14.67119     18.27660      8.90712        -0.052041      0.025243      0.053764
     13.95409     18.33339     10.09592         0.046836     -0.133962      0.025285
     12.41858     14.89913     10.32663        -0.069721     -0.024004     -0.092101
     14.71805     16.18761      5.29063        -0.037581     -0.001985     -0.110082
      9.83948      3.84254      4.71379         0.005946      0.192413      0.015805
      9.71636      4.76702      3.67866        -0.039662      0.065802     -0.017520
      9.74320      6.15425      3.92330         0.074984     -0.172106      0.078167
     10.07174      4.27120      6.01853         0.019304      0.009584     -0.095064
     10.14556      5.64357      6.26347         0.084051     -0.034943     -0.108311
      9.96763      6.62885      5.24936         0.022411     -0.027007      0.034517
      9.62902      2.46982      4.18744         0.052360     -0.222615      0.004289
      9.57799      3.98832      2.39238         0.061307      0.022952      0.220328
     10.03385      8.09150      5.63250         0.017031     -0.047175     -0.043184
     10.06541      9.14903      4.68345         0.027718     -0.009360      0.064863
     10.18603     10.47132      5.11771        -0.126224     -0.158579      0.094822
     10.05571      8.47204      7.00230        -0.008298      0.146675     -0.153875
     10.12028      9.80415      7.43538         0.078771      0.063242     -0.126758
     10.21382     10.81130      6.47142        -0.060666     -0.061129     -0.085715
     10.27967     12.29725      6.58438         0.075412      0.240975      0.222237
     10.26343     11.72657      4.31614         0.192292     -0.079497      0.080169
     10.69588     14.17200      4.86289         0.159788      0.009705      0.064611
     11.23502     14.49638      3.61330         0.053035      0.157533     -0.013626
     11.60825     15.80728      3.31452         0.045556      0.129266      0.022072
     10.56294     15.25165      5.75284        -0.013324      0.011613      0.031721
     10.94760     16.57620      5.44451         0.164317     -0.139609      0.140364
     11.53286     16.93348      4.16243        -0.070522     -0.052521      0.267191
     12.05172     18.30597      3.70840         0.069240      0.093463     -0.252997
     12.66121     18.70007      2.44582        -0.092323     -0.060116      0.083266
     12.97957     20.04699      2.18478        -0.108736      0.012547     -0.167042
     11.94107     19.41305      4.57672        -0.052613     -0.054522      0.026569
     12.21417     20.75175      4.30864         0.059594     -0.034608     -0.031620
     12.71760     21.11695      3.05885        -0.089480     -0.114217     -0.029166
     13.12583     17.80780      1.28154         0.208600      0.177322     -0.022894
     10.77627     17.48767      6.65857        -0.006267     -0.004111     -0.139141
     10.57327      7.06467     14.77089         0.021268      0.267223      0.038631
     10.48818      7.49160     16.09677         0.040490      0.038817     -0.140226
     10.49610      8.85116     16.44368         0.128290      0.081080     -0.236203
     10.57820      8.00537     13.74146        -0.006951      0.142679      0.109944
     10.51833      9.36556     14.07749        -0.023505     -0.026431      0.038036
     10.52693      9.84536     15.41723         0.075546      0.080326      0.077364
     10.58860      5.57861     14.73071        -0.029677     -0.242110     -0.165369
     10.32804      6.26385     16.94085        -0.108857     -0.061063      1.021736
     10.58312     11.35136     15.67394         0.082218     -0.193496     -0.014530
     10.65685     11.95464     16.96088        -0.014797      0.090428     -0.052988
     10.74250     13.35158     17.07630         0.062803     -0.054424     -0.045363
     10.62108     12.24176     14.56941         0.065594      0.007261      0.048801
     10.75201     13.63153     14.68230        -0.057287     -0.084903      0.001286
     10.80355     14.19026     15.95999         0.102697     -0.201767      0.017765
     10.93403     15.60545     16.41330        -0.084416      0.330248     -0.010447
     10.78528     14.22012     18.30186        -0.060074     -0.121953      0.217091
     10.76527     16.74523     18.70680         0.041390      0.059782     -0.071519
     10.06589     16.72606     19.90683         0.025940      0.114376      0.111919
      9.90569     17.89388     20.65639         0.017713      0.022775     -0.035217
     11.32412     17.98930     18.36978         0.047445      0.038462     -0.102925
     11.18823     19.16488     19.14705         0.002116     -0.077627      0.024563
     10.41781     19.17978     20.39031        -0.003304     -0.152911     -0.292927
     10.09554     20.33952      0.10532         0.105133      0.157107      0.056449
      9.39740     20.30060      1.37688         0.008816      0.006598      0.283078
      9.20525      0.19859      2.17860         0.053445     -0.179625     -0.082028
     10.50169      0.40128     21.06521        -0.038437     -0.022897     -0.090975
     10.31888      1.54670      0.59017         0.063503     -0.018783     -0.023250
      9.68784      1.47194      1.83348        -0.110159     -0.032077      0.142139
      8.75359     19.07428      2.01346        -0.151355      0.043323      0.151233
     11.99253     20.31009     18.52919         0.079164      0.033094     -0.027811
      7.31253      7.65284     17.34252        -0.122742      0.074854      0.017423
      7.14379      8.57579     16.31073        -0.132131      0.024231      0.106604
      7.07976      9.95553     16.58048         0.080853     -0.091976      0.066313
      7.53397      8.07530     18.64808         0.052289      0.110174      0.020874
      7.55751      9.45060     18.90619        -0.022239     -0.081678     -0.141421
      7.29417     10.43552     17.91146         0.038516      0.033789      0.001508
      7.10099      6.28025     16.81967         0.140528     -0.291749      0.146696
      7.01657      7.78259     15.02699         0.234284      0.178511      0.044486
      7.26029     11.90386     18.32667        -0.007747     -0.100794     -0.045173
      7.14231     12.99528     17.41896         0.039699      0.167837      0.095261
      7.16690     14.32067     17.89497        -0.099100     -0.198571      0.039194
      7.37627     12.24578     19.70326        -0.007191      0.162963     -0.131727
      7.36776     13.56357     20.17855         0.000369      0.034972     -0.150606
      7.25019     14.61050     19.25940        -0.058190     -0.056648     -0.079201
      7.19012     16.09564     19.44714         0.043200      0.111704      0.034468
      7.14336     15.63091     17.15439         0.061549     -0.154419     -0.220495
      7.50645     18.06995     17.82272         0.141232     -0.076747      0.051407
      8.33141     18.41605     16.75066         0.029701      0.231151     -0.085503
      8.70856     19.74627     16.53821        -0.068782      0.078222      0.140618
      7.05755     19.14480     18.60432        -0.013828     -0.017724     -0.122228
      7.42499     20.49553     18.37375         0.141424     -0.060718      0.009548
      8.33288     20.87553     17.30080         0.058995     -0.046320      0.151297
      8.92796      1.00603     16.93454         0.011376      0.116121     -0.255279
      9.66850      1.38351     15.73147         0.194536     -0.267171     -0.174623
     10.12163      2.71011     15.53920        -0.212216     -0.248261      0.071799
      8.75675      2.11725     17.79714         0.133483     -0.007135     -0.050094
      9.22077      3.43290     17.60820        -0.241953     -0.138839      0.009585
      9.89226      3.77184     16.42681         0.146422     -0.020295      0.170196
     10.18056      0.50008     14.53024        -0.164433      0.466869      0.285782
      6.72992      0.16553     19.36150        -0.064596      0.016273     -0.003726
      6.91303     10.82348      6.21438        -0.027074      0.079197      0.088651
      6.85442     11.27032      7.53245         0.005306      0.120284     -0.060329
      6.89193     12.64395      7.85776         0.043408     -0.175068     -0.110677
      7.04465     11.75817      5.18076        -0.038774     -0.004616      0.088079
      7.10184     13.12325      5.50466        -0.066662     -0.104225      0.135221
      7.02151     13.63053      6.83413         0.006934      0.073899     -0.004959
      6.90727      9.32346      6.21268        -0.018874     -0.051851     -0.117539
      6.84249     10.04547      8.41603         0.000678      0.284266      0.169376
      7.11657     15.14437      7.07643        -0.056946     -0.061138      0.000978
      7.13371     15.76150      8.36572         0.027562      0.103681     -0.083488
      7.24727     17.16315      8.48467         0.013634      0.012872     -0.135539
      7.23981     16.03480      5.96640        -0.127842      0.023000      0.176253
      7.32828     17.42783      6.09456        -0.081637     -0.159676     -0.064503
      7.30254     17.99289      7.36460        -0.044913     -0.120973      0.022922
      7.42823     19.42268      7.78724         0.049377      0.050734     -0.052664
      7.45974     18.04794      9.68649         0.102389     -0.311273      0.228515
      7.68417     20.57411     10.04899         0.032723     -0.137528     -0.101256
      7.21634     20.54715     11.35731         0.060512      0.170709      0.063483
      7.21726      0.44601     12.12996        -0.096828     -0.134800      0.054864
      8.30753      0.51532      9.64488         0.054995     -0.091243      0.120925
      8.42108      1.64754     10.49041        -0.076224     -0.121021      0.168292
      7.75368      1.69546     11.79647         0.139424     -0.055401     -0.141059
      7.53712      2.84400     12.79991         0.178125      0.381546     -0.089702
      6.91270      2.82291     14.10647        -0.223710     -0.000659      0.680831
      6.71954      4.00756     14.86533        -0.005092     -0.323070     -0.003009
      7.93626      4.16272     12.45535         0.005702     -0.280259     -0.184033
      7.81979      5.31808     13.23157        -0.134946     -0.028046      0.117414
      7.18837      5.26520     14.48446         0.077123      0.204669     -0.124277
      6.30976      1.63402     14.88771        -0.200759      0.349086      0.141320
      9.41239      2.66944      9.94560         0.060544      0.179701      0.138889
      4.29018     11.53415     10.46668        -0.098832      0.065447     -0.167306
      4.04928     12.40058      9.40182        -0.021086     -0.095257      0.022260
      4.17452     13.78761      9.54358        -0.019348     -0.117550      0.011010
      4.69282     12.04583     11.70034        -0.019732     -0.004443     -0.051222
      4.72270     13.43567     11.86939         0.029821     -0.017384     -0.126173
      4.46988     14.35175     10.81155        -0.064707     -0.002326     -0.024478
      3.87371     10.15563     10.07890        -0.043540     -0.115114     -0.101812
      3.55220     11.58117      8.24122         0.024596      0.166301     -0.218757
      4.46422     15.84426     11.05979         0.030104     -0.096162      0.033016
      4.06839     16.79177     10.07213         0.026129      0.129055     -0.040927
      4.09860     18.16547     10.36046        -0.023603     -0.129359      0.162143
      4.86545     16.35051     12.32601        -0.128039      0.052801     -0.144779
      4.79681     17.70720     12.64340        -0.011239      0.028409     -0.020323
      4.40103     18.59705     11.65042        -0.043857      0.043159     -0.067242
      4.27178     20.06858     11.71090         0.041924      0.009930     -0.012155
      3.92107     19.40091      9.50284         0.034512     -0.340712      0.277287
      4.35738      0.63276      9.98890        -0.039697     -0.153359      0.246170
      4.86831      0.99225      8.74792         0.149923      0.258630      0.088671
      5.40282      2.26778      8.57492        -0.066229     -0.098077     -0.049379
      4.23615      1.69235     10.89341         0.021178      0.032682      0.022580
      4.72985      3.00629     10.67844         0.042662     -0.039389     -0.067588
      5.46114      3.35929      9.47344        -0.211541     -0.062915      0.063773
      6.07353      4.71211      8.98489         0.122232      0.163891     -0.112732
      6.55824      5.03272      7.65330        -0.069703      0.021646      0.025042
      6.84261      6.35616      7.22226        -0.064521     -0.011170      0.024123
      6.09143      5.87657      9.78573        -0.034873     -0.083340     -0.041990
      6.30571      7.19541      9.35355        -0.055119     -0.088887      0.288791
      6.65280      7.49968      8.03398        -0.012406     -0.108826     -0.075906
      6.73820      4.00356      6.54875         0.118433      0.122399      0.015680
      4.16273      3.81316     11.83759         0.126042      0.338779     -0.329088
      0.82474     14.10404      1.01540        -0.010484      0.069932      0.058005
      1.51205     14.55076      2.14347        -0.139627     -0.162360     -0.320533
      1.53461     15.93833      2.43757         0.166625     -0.015044     -0.015331
      0.31175     14.98519      0.07985        -0.061670      0.246690     -0.046254
      0.44406     16.35416      0.31717        -0.001604     -0.102728      0.182015
      0.98298     16.89950      1.51644        -0.050528     -0.059821     -0.002574
      0.76985     12.63131      0.97439         0.339744      0.086899      0.106998
      2.15209     13.28533      2.73716         0.199495      0.069740      0.443355
      0.93169     18.43785      1.67296         0.013400     -0.306966      0.039226
      1.33650     19.18020      2.82225        -0.114313      0.181103     -0.101933
      1.23036     20.58822      2.82275        -0.073335     -0.087019     -0.063396
      0.42304     19.20958      0.58507        -0.002655      0.049920      0.081593
      0.25024     20.59743      0.61940         0.044020     -0.151554      0.109649
      0.65661      0.02499      1.75980        -0.076498     -0.061417     -0.114864
      0.57730      1.47904      2.07332         0.041586      0.183101      0.061983
      1.67740      0.35881      3.82415         0.117248     -0.038404      0.138410
      1.32884      2.91177      4.05099         0.064841     -0.060297      0.117570
      1.96258      3.00306      5.29658         0.089317     -0.060773     -0.238077
      2.09919      4.23005      5.93470         0.128638     -0.241890      0.147130
      0.76645      4.12354      3.59761        -0.065377     -0.150589     -0.058131
      0.85332      5.33194      4.32412        -0.055525      0.172918      0.073414
      1.61094      5.48413      5.54376        -0.023320     -0.136236     -0.080887
      1.97723      6.70985      6.40878         0.099822      0.036826      0.139064
      2.45107      6.68996      7.77715        -0.029430      0.078910     -0.036986
      2.86836      7.84698      8.45758         0.008282     -0.002714     -0.095361
      2.00217      8.03292      5.89680         0.098352     -0.210480      0.093988
      2.47152      9.18533      6.55417         0.014169      0.058815      0.057635
      2.93054      9.12352      7.88874         0.102376     -0.030308      0.035819
      2.71684      5.47739      8.64195        -0.001185     -0.096951     -0.105149
      0.03480      6.42567      3.69544        -0.195096      0.103908      0.268707
      4.59392     14.08832      0.65096         0.011783      0.085803     -0.014763
      4.01751     14.99923     -0.23800         0.051172      0.088812      0.080108
      4.06447     16.39262     -0.01576         0.055181      0.043433      0.190772
      5.23604     14.56514      1.78809        -0.049074      0.360652      0.138074
      5.22482     15.94740      2.04812        -0.092514      0.041266     -0.146652
      4.63994     16.92939      1.18965        -0.072640      0.118333     -0.012151
      4.39108     12.69204      0.15605        -0.065354      0.032088     -0.027219
      3.39765     14.17731     19.91696        -0.374964      0.232799     -0.318108
      4.67220     18.43027      1.63274        -0.046563     -0.028316     -0.066135
      4.15907     19.57249      0.92201         0.102639     -0.002424      0.149160
      4.30724     20.89028      1.44420         0.103450     -0.068172      0.095818
      5.27661     18.73755      2.88581        -0.147527      0.077226     -0.103968
      5.45387     20.03681      3.38429        -0.042707     -0.200095     -0.038515
      4.98897     21.12050      2.63927        -0.020461      0.058240     -0.000426
      5.11148      1.34248      2.88913        -0.005916      0.155677      0.047544
      3.85110      0.99945      0.94955        -0.032871     -0.147379     -0.193341
      4.04837      3.46657      1.81802         0.076080      0.065291     -0.063146
      3.16919      4.04494      0.88183        -0.045568     -0.053477     -0.144462
      2.94582      5.42995      0.80217        -0.004697     -0.138178     -0.133397
      4.61217      4.42306      2.69567        -0.024139     -0.098106      0.140767
      4.26529      5.80225      2.69673        -0.107006      0.002024      0.026163
      3.43161      6.41566      1.69545        -0.071450     -0.028718      0.063199
      3.00995      7.90627      1.61081        -0.347095     -0.045221     -0.102913
      1.78872      8.46016      1.05502        -0.106629     -0.064051      0.037524
      1.45464      9.81799      1.19036        -0.176819     -0.270841     -0.096663
      3.78272      8.91542      2.22288         0.336228      0.072895     -0.034259
      3.41562     10.25893      2.45313        -0.081745     -0.282824      0.032632
      2.21979     10.75561      1.90271         0.003711      0.171808      0.125865
      0.76339      7.70608      0.19707        -0.010256     -0.254509      0.075917
      4.90057      6.50979      3.88503        -0.064270     -0.386059     -0.068071
     18.01861     17.33137     13.81916         0.094100      0.195127      0.066441
     19.01230     17.80093     14.68011        -0.018235      0.067261      0.071956
     19.25301     19.17411     14.85971        -0.118083     -0.169425     -0.003956
     17.32425     18.24230     13.01442         0.078320     -0.073659      0.061783
     17.63721     19.60578     13.11847        -0.120304     -0.136525      0.110784
     18.53219     20.13012     14.09001         0.050108     -0.123039     -0.058332
     17.97965     15.83771     13.90257        -0.139475     -0.166913     -0.189944
     19.71764     16.60590     15.26879         0.053913      0.250010     -0.043617
     18.66685      0.36312     14.28119         0.001456      0.015907      0.086721
     19.56943      0.94178     15.21665        -0.104936      0.299327      0.050838
     19.57073      2.33478     15.41348        -0.097443     -0.062079     -0.050338
     17.81704      1.25735     13.57310         0.073571      0.046721      0.136782
     17.82654      2.64364     13.76959         0.030662      0.056770      0.039485
     18.71630      3.18125     14.70033         0.044964     -0.151461      0.122647
     18.93162      4.59031     15.15216        -0.097792      0.343770     -0.054084
     20.35726      3.18938     16.37306        -0.138801     -0.259401     -0.066876
     20.55523      5.69239     16.78957         0.128872      0.155377      0.038202
      0.62799      5.68731     17.21701        -0.228507     -0.077773     -0.035741
      1.22630      6.83875     17.70289         0.066073      0.615834      0.165865
     19.87108      6.89441     17.01821        -0.217972      0.012165     -0.044416
     20.47336      8.05250     17.57387         0.119795      0.003515      0.202209
      0.63051      8.10798     17.90191         0.162362     -0.117010     -0.111349
      1.52022      9.28859     18.44803         0.170749     -0.348425      0.218349
      2.89668      9.28147     18.95210        -0.276169     -0.256453      0.141573
      3.50824     10.45844     19.46327         0.150838     -0.442299      0.047062
      0.97758     10.58206     18.54177        -0.171817      0.410365     -0.146046
      1.57250     11.73235     19.08155        -0.167643      0.146786      0.145248
      2.86776     11.68222     19.60860        -0.202680      0.222570     -0.154115
      3.97497      8.18002     18.95322         0.240392      0.176891      0.115424
     19.44273      9.12452     17.89579        -0.173862      0.069959     -0.038575
      1.82975     18.27261     14.13239        -0.052568      0.345586     -0.078709
      1.13414     19.18669     13.34298        -0.247661      0.075080     -0.102137
      1.18572     20.56488     13.58505        -0.016005     -0.123459     -0.011653
      2.63032     18.73884     15.17192        -0.119365     -0.057663      0.098814
      2.64861     20.10983     15.44475         0.148694     -0.048371     -0.136285
      1.93786     21.06875     14.67862         0.078486     -0.009506      0.080834
      1.53803     16.89819     13.67034        -0.138853     -0.234709      0.141756
      0.36615     18.40477     12.30804        -0.176353      0.272163     -0.271638
      2.07854      1.27803     14.98940        -0.012314     -0.042720      0.048597
      1.55742      2.28252     14.13784         0.175849      0.146917      0.047226
      1.84406      3.62769     14.39596        -0.136475     -0.280596      0.044174
      2.78282      1.72105     16.14565        -0.068296      0.024205     -0.204609
      3.14232      3.05976     16.34695        -0.000506      0.095843     -0.096682
      2.71196      4.01621     15.41844        -0.202955     -0.220534     -0.106033
      2.95122      5.48255     15.27794         0.453675      0.402276      0.323196
      1.31421      4.85237     13.72796         0.537218     -0.128695      0.558322
      1.50516      7.31804     14.23397         0.061743      0.104592      0.219579
      0.18432      7.62012     13.88943         0.052954      0.175224      0.045952
     20.96722      8.91620     14.04440        -0.125714      0.119799      0.098165
      2.28296      8.42101     14.62712         0.115433      0.137879      0.069093
      1.78759      9.74322     14.75298         0.112172     -0.151701      0.079114
      0.39785     10.06361     14.48354         0.112934     -0.160821      0.091411
     20.88751     11.38564     14.59606        -0.252437      0.102781     -0.034164
     19.49358     11.65341     14.25734        -0.013290      0.141055     -0.077234
     18.94244     12.95271     14.36350        -0.081957     -0.045006     -0.095928
      0.26750     12.56054     15.04977         0.145235     -0.128278     -0.098470
     -0.26171     13.85114     15.10314         0.035236     -0.122707      0.191351
     19.67055     14.09751     14.74623        -0.083477     -0.143131     -0.148634
     18.42303     10.65463     13.78908        -0.184183      0.068259      0.106889
      2.89425     10.70304     15.17861        -0.020708     -0.022535     -0.061053
     16.31726      0.40867      5.24049        -0.027507      0.121661      0.065756
     16.93403      0.79295      6.43102        -0.098566      0.141774     -0.036543
     16.87675      2.12734      6.88856        -0.114753     -0.115975     -0.101663
     15.64229      1.33819      4.46988         0.063673      0.126246      0.035096
     15.63329      2.67028      4.88883         0.003526     -0.041465      0.104733
     16.22467      3.12403      6.09789         0.014005      0.100914     -0.013242
     16.60195     20.24498      4.94166         0.040960     -0.100304     -0.132005
     17.65863     20.83945      6.94798         0.086834      0.004857      0.244369
     16.19420      4.62513      6.40173         0.012522     -0.067182     -0.063092
     16.80646      5.26266      7.52227        -0.158634      0.126344     -0.094163
     16.78628      6.66977      7.62134        -0.063005     -0.043539     -0.123499
     15.56510      5.49675      5.46228         0.125065      0.002410      0.101128
     15.61577      6.89224      5.53557         0.065963     -0.127263     -0.028314
     16.24953      7.48212      6.62209        -0.011541     -0.183246      0.013202
     16.52865      8.91590      6.91826        -0.123709      0.045851      0.115709
     17.34858      7.58324      8.66716         0.095111     -0.209954      0.373451
     17.68889     10.10756      8.85600        -0.026181     -0.001207      0.044918
     18.72082     10.00713      9.78321        -0.010157     -0.042783      0.018389
     19.29380     11.14135     10.34476         0.066653      0.066988      0.137724
     17.21969     11.41411      8.62604        -0.031984     -0.121518     -0.029161
     17.82195     12.55541      9.20117         0.154756     -0.011696      0.018541
     18.95841     12.47646     10.09026        -0.130442     -0.028939     -0.041077
     19.76733     13.59870     10.75983        -0.067586     -0.017953      0.193532
     21.07511     13.51585     11.36976         0.212794      0.038514      0.111255
      0.44274     14.65746     11.92533         0.048133     -0.131999      0.072987
     19.21551     14.89477     10.89457        -0.043195     -0.072471     -0.066534
     19.83971     16.02352     11.42608         0.048512      0.115886      0.019850
     21.12984     15.92943     11.96092         0.063539     -0.097980      0.147142
      0.82425     12.35538     11.39488         0.022190      0.247379      0.042859
     17.08601     13.81541      8.83432         0.033222      0.143252     -0.161526
     20.27658      1.45881      6.20802         0.000975      0.051616      0.117210
     19.67284      2.48544      5.47552         0.128598     -0.095165      0.024132
     19.61985      3.78025      5.95699         0.008470      0.092905      0.020131
     20.80149      1.72294      7.47117         0.000914     -0.133458     -0.082840
     20.67509      3.01667      7.99006        -0.049875     -0.080458      0.006031
     20.10358      4.08451      7.25149         0.028751     -0.026694      0.077786
     20.23912      0.21035      5.39427         0.095899     -0.000398      0.057659
     19.20773      1.92662      4.16595        -0.123440      0.314480     -0.032225
     20.13367      5.50229      7.72825        -0.027802      0.117826      0.015005
     19.71077      6.53810      6.86647        -0.095102      0.122283      0.038645
     20.02957      7.86260      7.15382        -0.038004     -0.000439      0.067801
     -0.61235      5.89663      8.99275        -0.087040     -0.033076     -0.191061
     -0.29781      7.22455      9.29063        -0.035186      0.157185     -0.138498
     20.72293      8.19609      8.30866         0.035374      0.102563      0.026642
     -0.18770      9.64532      8.24025        -0.784984     -0.686337     -0.846762
     19.75198      9.11328      6.37203         0.526817     -0.148350      0.844809
     20.32819     11.57895      6.69909         0.070076     -0.048583      0.084969
     19.39902     12.01681      5.74470         0.031378      0.054360      0.024081
     19.19382     13.37572      5.53267        -0.070946     -0.135229     -0.060251
     21.12145     12.59761      7.28317         0.084429     -0.070968      0.018148
     20.94539     13.97341      7.00773        -0.163289     -0.216234     -0.033407
     19.88965     14.43684      6.13684         0.095115     -0.024349      0.099306
     19.40384     15.85190      5.90323        -0.092008      0.164634     -0.039715
     18.64143     16.36160      4.78821         0.027340     -0.008752     -0.068063
     18.10216     17.66080      4.79540         0.012926      0.011865     -0.037726
     19.56535     16.81480      6.92412         0.005449     -0.032236      0.114035
     19.00606     18.08805      6.95531        -0.006818     -0.030815      0.009944
     18.20727     18.53471      5.89821        -0.013726     -0.040001      0.041270
     18.24392     15.56418      3.54820         0.063811     -0.033659     -0.046612
      0.71818     14.87422      7.66172        -0.141098      0.009286     -0.138661
     12.74067      5.22777      4.01109        -0.072444      0.071528      0.073018
     13.32950      3.77320     20.51570         0.027022     -0.112097     -0.054705
     13.05481      6.12816     21.02809         0.078808      0.000337      0.033908
     12.94815      7.32786      4.40103        -0.066816     -0.083007      0.081606
     13.23147      7.96629      0.11270        -0.015479      0.023265      0.055940
     13.60587     10.34148      0.45754         0.024060      0.073936      0.092313
     13.39891     13.32626      8.79232        -0.061842     -0.127679      0.029257
     13.22951     11.48520      7.33006         0.039498     -0.319631      0.046940
     14.32243     14.03156      4.05025         0.025069     -0.097386      0.199688
     12.83972     17.15082     11.48978        -0.110954     -0.030409     -0.189224
     15.29187     17.14056      7.27906         0.075778     -0.073106      0.063206
     15.24017     19.13469      8.53016        -0.035927     -0.090329      0.161354
      9.58792      6.83800      3.08654         0.014459      0.033631      0.034281
     10.15845      3.55237      6.83260         0.075494      0.023524     -0.020577
     10.33541      5.94388      7.29694         0.018867      0.003761     -0.151161
      9.98192      8.95931      3.61526         0.074332     -0.076850     -0.102404
      9.97577      7.71298      7.77846         0.013484     -0.024759     -0.015530
     10.08791     10.02347      8.50679         0.053195      0.082276     -0.113877
     12.01266     15.93162      2.32656         0.093842     -0.061267     -0.023648
     11.43545     13.74464      2.85938        -0.104700     -0.128608     -0.075429
     10.20007     15.05161      6.75774        -0.003158     -0.030394     -0.126591
     13.41179     20.27531      1.21876         0.043437      0.041061      0.027811
     11.60427     19.26215      5.58053        -0.104890      0.027254      0.026260
     12.00281      0.22276      5.08355         0.025014      0.061259      0.000739
     10.46515      9.12508     17.49674        -0.031042      0.048696      0.095718
     10.58826      7.71762     12.68903         0.037281     -0.111214      0.037162
     10.43709     10.06907     13.24179         0.130332     -0.156371      0.186994
     10.64915     11.35955     17.87171        -0.026734     -0.101168      0.095749
     10.57522     11.83908     13.55942         0.010455      0.069128     -0.015442
     10.80927     14.22606     13.76838        -0.002427      0.141404      0.116253
      9.32716     17.73024      0.28116        -0.201290      0.002633      0.010459
      9.61351     15.81876     20.29582         0.100588     -0.072597     -0.020887
     11.87339     18.05963     17.43361        -0.008427      0.009432      0.117148
      8.68754      0.09871      3.12987         0.056475     -0.070027     -0.087617
     10.99377      0.58353     20.12663         0.125884      0.056557     -0.022666
     10.71253      2.49338      0.22505        -0.103191      0.023966     -0.079756
      6.82749     10.63025     15.76262         0.095542      0.114676     -0.018591
      7.66727      7.35971     19.46336         0.019234      0.019390     -0.105597
      7.74637      9.73847     19.94243         0.000189      0.040322     -0.146373
      7.04493     12.82644     16.34829         0.040349     -0.031440     -0.128382
      7.46247     11.46897     20.46114        -0.010339      0.004742     -0.050868
      7.46715     13.73721     -0.00690        -0.019358      0.103543     -0.086571
      9.33891     19.89687     15.68142         0.241915     -0.133634      0.073434
      8.71821     17.67264     16.06028         0.031038     -0.095353     -0.016059
      6.38508     18.94199     19.43097         0.076301     -0.072523      0.020358
     10.62107      2.94306     14.61235         0.164772     -0.005325     -0.141184
      8.19888      1.98277     18.71134         0.067588      0.007827      0.028269
      8.96147      4.17797     18.36441         0.162321     -0.131384     -0.126742
      6.81008     12.91927      8.90560         0.144737      0.112081      0.127447
      7.14540     11.45828      4.13291        -0.084358     -0.084163      0.117561
      7.24256     13.80903      4.66690        -0.037518     -0.033824      0.092888
      7.06394     15.17138      9.28002         0.099318     -0.088541     -0.001243
      7.28097     15.65167      4.94483         0.018205     -0.074799      0.129370
      7.49934     18.04865      5.21314        -0.138099     -0.014572      0.023797
      6.76388      0.32415     13.09482        -0.155360     -0.058897     -0.119408
      6.83546     19.63109     11.79465        -0.016109     -0.053410      0.007631
      8.76155      0.55957      8.65422        -0.042230      0.013367      0.137138
      6.20480      3.94984     15.82560         0.158483     -0.121666     -0.245769
      8.38452      4.30145     11.48312         0.117322      0.118809     -0.058800
      8.25214      6.23800     12.84742        -0.131671      0.123172     -0.046237
      3.97172     14.41545      8.68342         0.042427      0.110612     -0.120097
      4.91387     11.39143     12.54468        -0.082506     -0.014744     -0.100176
      4.87583     13.80209     12.88514         0.150369      0.016896     -0.067932
      3.73051     16.46802      9.09033         0.053002     -0.050009     -0.150376
      5.22800     15.68363     13.10544         0.012948     -0.075874     -0.027851
      5.07446     18.06767     13.63717         0.007640     -0.057294     -0.075716
      5.76611      2.38200      7.58496         0.205977     -0.076665     -0.079701
      4.88081      0.31300      7.90651         0.106490     -0.217195     -0.137140
      3.71506      1.50350     11.82818         0.119432     -0.036498     -0.057019
      7.17937      6.48469      6.19768        -0.071184      0.029126      0.072670
      5.85510      5.79004     10.82984        -0.073474     -0.030727      0.209751
      6.14481      7.98553     10.08037         0.121293      0.027769      0.108814
      2.01620     16.25775      3.36077         0.040073      0.139543      0.085734
     -0.14187     14.62405     20.41297        -0.063890      0.018264      0.090932
      0.10227     17.00500     20.77771        -0.114743      0.024628      0.026765
      1.69616     18.69894      3.72782         0.159945     -0.171221      0.067761
      0.12760     18.72842     20.91244        -0.003742      0.000632      0.104813
     -0.18590     -0.14138     21.02575         0.024287      0.065615     -0.020412
      2.66717      4.16347      6.83094         0.170919     -0.141786      0.067903
      2.38187      2.12427      5.77787         0.067919     -0.017630     -0.037466
      0.18189      4.11107      2.67609         0.109845      0.064491      0.164059
      3.16637      7.75608      9.49476         0.046261     -0.015990     -0.054089
      1.71137      8.17440      4.86694        -0.109330      0.117873     -0.251461
      2.47104     10.11902      5.99618         0.035625      0.063454      0.045444
      3.65376     17.03596     20.46446        -0.115789      0.160459      0.072775
      5.70681     13.89570      2.51058        -0.045945     -0.063655     -0.066910
      5.70141     16.24963      2.98336        -0.066837     -0.003047     -0.161761
      3.66240     19.45046     -0.04045        -0.055354     -0.019076     -0.055346
      5.67198     17.92943      3.50631        -0.096609      0.196602     -0.065748
      5.96866     20.15628      4.33817        -0.031646      0.205428      0.021715
      2.34994      5.73524     -0.04918        -0.026745     -0.110793      0.178698
      2.61782      3.41688      0.19008         0.082766     -0.070086     -0.199278
      5.30940      4.10917      3.46926        -0.100075     -0.180325     -0.053682
      0.54641     10.18285      0.70716         0.191542     -0.270802      0.179972
      4.78912      8.64031      2.53547        -0.083002      0.153471      0.102808
      4.08013     10.84852      3.08448        -0.025413      0.216684     -0.256375
     19.99843     19.48487     15.59166         0.029290     -0.000131      0.036323
     16.57631     17.91384     12.28654         0.071438     -0.045972      0.057455
     17.14834     20.27125     12.40360        -0.017883     -0.006981      0.152619
     20.25224      0.32176     15.79998        -0.015643      0.033468      0.021316
     17.08956      0.86955     12.86112         0.013640     -0.034572      0.016199
     17.12821      3.28387     13.22391         0.078725     -0.018793      0.008677
      2.24565      6.71355     18.01859        -0.028217     -0.008358     -0.316981
      1.22910      4.78847     17.18498        -0.052872     -0.180604      0.023840
     18.80615      6.93309     16.77392         0.265966      0.066668      0.045712
      4.54008     10.41033     19.80643        -0.121724     -0.180969     -0.021041
     -0.00241     10.75880     18.12982        -0.173421     -0.009955      0.030854
      0.97543     12.65183     19.11289         0.188449     -0.211112     -0.082191
      0.65020     21.23161     12.91578        -0.154862      0.111794     -0.080792
      3.23455     18.05237     15.76581        -0.049876     -0.048854      0.060830
      3.31120     20.43748     16.24365        -0.032525      0.066393      0.050518
      0.98932      2.03191     13.24366        -0.144059     -0.008348     -0.007006
      3.09852      1.00162     16.90618        -0.015772      0.094227     -0.119668
      3.72474      3.33164     17.23174         0.022331      0.033825     -0.129789
     19.92860      9.01008     13.81056        -0.073319     -0.149102      0.056110
     20.73385      6.88663     13.52927         0.004633     -0.261539      0.024715
      3.32861      8.24837     14.87869        -0.183409     -0.027108     -0.050731
     17.89812     13.06581     14.08555         0.089687      0.112712      0.036339
      1.29481     12.50014     15.36708         0.087034      0.047739     -0.039748
      0.40538     14.64381     15.41529         0.031880      0.146871      0.089967
     17.37742      2.39094      7.82002         0.025717      0.011032      0.068335
     15.16480      1.04183      3.53847         0.117336     -0.000646     -0.027060
     15.15294      3.37567      4.21351         0.068610     -0.012222      0.100859
     17.34933      4.70373      8.28785        -0.159528     -0.078086      0.007441
     15.02940      5.08843      4.60531         0.133730     -0.004971      0.071482
     15.17817      7.49220      4.73814         0.070943      0.018050      0.058636
     20.07302     10.92820     11.04808        -0.043421      0.054653     -0.026151
     19.12426      9.03780     10.05811        -0.158032      0.040578      0.154555
     16.36042     11.55867      7.97507         0.128809     -0.010273     -0.024389
      1.41996     14.54070     12.39052        -0.165277      0.004478     -0.159152
     18.20564     15.06625     10.55867        -0.115484     -0.019126      0.139335
     19.28443     16.95994     11.43016         0.098789      0.018392     -0.033980
     19.24938      4.55950      5.30294        -0.224547      0.086135     -0.124378
      0.08121      0.94141      8.01593        -0.179179      0.072476      0.069918
     -0.16674      3.19172      8.97839        -0.032559      0.095273      0.068301
     19.15607      6.32672      5.95867         0.042999     -0.018174     -0.043248
     -0.40556      5.14660      9.75116        -0.013417     -0.042531      0.077225
      0.12757      7.47368     10.26652         0.032377      0.048693     -0.106825
     18.38247     13.60018      4.86330        -0.139747     -0.009924     -0.031084
     18.81143     11.31383      5.16574        -0.130833     -0.080458      0.099462
      0.66492     12.30136      7.95806        -0.186458      0.107245     -0.122390
     17.51058     17.96958      3.93728         0.055050     -0.044180      0.072912
     20.10870     16.54189      7.81539        -0.002392     -0.028621      0.035129
     19.19059     18.72365      7.81492        -0.020637      0.005280      0.098759
     13.90916     19.25216     10.69936         0.017802     -0.315978     -0.065282
     19.42162     21.18721      3.42058         0.026791      0.228093      0.332500
     12.91405      1.22788      2.66791         0.088773      0.029136      0.025321
     13.64801     11.47330      4.60332         0.051191     -0.062564      0.025301
      9.60485      2.58882      2.74770        -0.067669     -0.030886     -0.101308
     10.42171     12.81067      5.23963        -0.149718     -0.029249      0.031551
     10.27740      5.12463     16.07464         0.120090      0.049303     -0.410904
     10.85286     15.58397     17.85240         0.090897     -0.010868     -0.132291
      7.08145      6.38583     15.38720        -0.026821      0.094577     -0.067597
      7.22935     16.67871     18.13100        -0.060832      0.001896      0.035495
      6.76455      8.87991      7.57174         0.072644      0.025251      0.016068
      7.53991     19.40687      9.21004         0.099362      0.093803      0.050227
      3.44497     10.21682      8.68734         0.037462      0.148089     -0.204818
      4.07084     20.53601     10.37089         0.054289      0.050303      0.171011
      1.78006     12.14458      1.88085        -0.287325      0.342712      0.200516
      1.20553      1.65426      3.35244         0.030334      0.038531     -0.002987
      3.50454     12.78901     20.29402         0.124311      0.205054     -0.138016
      4.31145      2.01826      1.88515         0.149066     -0.087221      0.113265
     19.13329     15.43459     14.66834        -0.033266      0.045783      0.245699
     19.95254      4.54617     16.15988        -0.001819      0.005531     -0.029919
      0.55914     17.01436     12.61487         0.023720      0.126481     -0.109909
      1.98307      5.96849     14.32183         0.016595      0.099131      0.119828
     17.52767     19.79954      5.93870        -0.028039      0.006004     -0.033961
     17.18894      8.93527      8.18866        -0.144958      0.052419      0.100892
     19.57799      0.57467      4.20378        -0.099756     -0.210838     -0.263704
     20.43025     10.18437      7.05529         0.085348      0.184765     -0.001590
     12.43277      2.38442      4.68828         0.173863     -0.155664      0.039180
     13.70382      0.94932      0.44837        -0.074771      0.275700      0.188822
     13.21680      9.68457      6.10642         0.120042      0.075676     -0.241724
     14.01059     12.57075      2.52138        -0.056881     -0.383756      0.178437
      9.48956      4.42999      1.26068        -0.008342     -0.046121     -0.169394
      9.49168      1.43646      4.82223         0.107010      0.164723     -0.205443
     10.21237     11.82042      3.09928        -0.062566      0.090420     -0.177893
     10.20307     12.97590      7.60065         0.004204     -0.262798     -0.403757
     10.23236      6.22756     18.16780         0.105658     -0.088641     -0.547904
     10.83371      4.88248     13.75263        -0.080099      0.157680      0.436913
     10.75276     13.85926     19.47025         0.030848      0.081379     -0.187450
     11.06336     16.61136     15.72450        -0.061592     -0.339589      0.231957
      6.93812      8.21488     13.88936        -0.067079     -0.114494     -0.012984
      6.95943      5.25681     17.48107         0.047292      0.368827     -0.342968
      7.08459     15.79361     15.94393        -0.032463      0.070493      0.070443
      7.11283     16.71710     20.49818        -0.066887     -0.142271     -0.342545
      6.94467     10.04181      9.63306        -0.025228     -0.111904      0.039317
      7.05496      8.59097      5.24814        -0.069300      0.156712      0.135106
      7.60708     17.69571     10.84842        -0.068236      0.088145     -0.224961
      7.42665     20.42882      7.09156        -0.024902     -0.243741      0.068632
      3.27721     11.97737      7.11599         0.092125     -0.206470      0.227655
      3.84873      9.16622     10.79602         0.037415      0.165551     -0.104463
      3.73422     19.44985      8.30509        -0.060353      0.102786     -0.436139
      4.32351     20.76840     12.70827        -0.094900     -0.097930     -0.075405
      2.85791     13.20360      3.72936        -0.134179     -0.124946     -0.405625
     -0.01854     11.98715      0.30347        -0.094489     -0.073052     -0.138516
      2.36003      0.17170      4.81755        -0.125967      0.059435     -0.091495
      0.06767      2.36838      1.40665         0.130479     -0.275745      0.005097
      2.89377     14.56438     18.87233         0.018359     -0.005385      0.230763
      4.89412     11.66307      0.58985        -0.022175      0.195138     -0.098155
      3.19378      1.22066     -0.05173        -0.069211      0.085287     -0.108922
      5.79311      1.89236      3.74213        -0.242276     -0.158229     -0.250119
     -0.62595     16.63106     16.07978        -0.132211     -0.163168     -0.087368
     17.13786     15.08566     13.43258         0.231836      0.182157      0.073322
     -0.09746      2.80855     17.20530         0.107999      0.000358      0.147119
     18.37147      5.60878     14.76422         0.159930     -0.360495      0.074543
     20.97391     18.83338     11.35973         0.199279     -0.194807      0.486356
      2.00494     15.86086     14.12241        -0.086255      0.086711     -0.243486
      0.45197      4.92164     12.88072        -0.660713      0.032929     -0.599709
      3.82548      6.15661     15.82279        -0.677404     -0.363706     -0.347456
     18.24702     20.72784      8.01350        -0.094677     -0.045371     -0.176930
     16.15581     19.57513      4.01782         0.112551      0.265592      0.155530
     17.83552      7.25765      9.74157        -0.203263      0.088467     -0.214749
     16.28299      9.89411      6.22967        -0.045696     -0.095987      0.114716
     18.62226      2.48754      3.24769         0.107275     -0.158923      0.180548
     20.67200     20.35121      5.64399        -0.005166      0.151324     -0.060612
     19.06242      9.21756      5.38461        -0.405743      0.084299     -0.681089
      0.51068     10.25860      9.00200         0.615357      0.549054      0.531959
     14.03960     17.34738      5.51785         0.023298      0.015625     -0.007894
     16.00774     16.39332      5.72637         0.137815     -0.050388     -0.048698
     14.81846     16.08154      3.94046        -0.161543     -0.069551      0.092105
     11.78599     15.27317     11.48806         0.066184     -0.033053     -0.149654
     11.43853     14.43022      9.50499        -0.010980     -0.002314      0.091128
     13.20150     13.81931     10.68574        -0.067935     -0.005716      0.199518
     11.95738     17.99705      7.11430         0.057421      0.022297      0.133846
      9.95682     18.56606      6.41680        -0.107607      0.022729     -0.007045
     10.22124     16.86172      7.73628         0.007637     -0.043033      0.031901
     13.47743     18.53485      0.17501         0.132824     -0.013511      0.082054
     14.23190     17.08179      1.61718        -0.096311     -0.046394      0.010853
     12.20324     16.92099      0.79487        -0.106499      0.010455     -0.024518
     11.26765      0.19814     18.31377        -0.055348      0.020969     -0.088079
     13.06620     -0.59197     19.29286        -0.076607     -0.035808      0.137975
     12.49417     20.01119     17.29294         0.109786     -0.094285      0.088973
      8.27009     19.30421      3.28184         0.169991      0.083978     -0.149626
      7.67364     18.64526      1.28740         0.056515      0.012198     -0.072090
      9.56894     17.98302      2.17782         0.060444      0.150563      0.079443
      7.57382      0.88229     20.17263         0.048491     -0.063591      0.040144
      5.90901      1.06557     18.74653         0.051764      0.132216     -0.084269
      5.92634     20.74895     20.24329        -0.037231      0.036340     -0.068226
     10.48724      1.26735     13.44005        -0.026208      0.062631     -0.028231
     11.33916     -0.13613     14.85626         0.188961     -0.240526      0.294897
      9.34425     20.79753     14.02620        -0.035298      0.183617      0.031365
      8.85018      3.86966      9.54967         0.025771     -0.115446      0.018235
     10.37473      2.98745     10.86541        -0.148933     -0.038480      0.041786
     10.09253      2.23012      8.83968        -0.064285     -0.045330      0.125772
      6.05180      1.93548     16.21201         0.230889     -0.029443     -0.401427
      5.11126      1.21992     14.40141         0.012774      0.017623     -0.122452
      7.09443      0.52405     14.93202         0.058986     -0.125644      0.122668
      4.57084      5.09419     12.04272        -0.067906     -0.028654     -0.038442
      2.78841      3.86798     11.69149         0.118455      0.055870     -0.005581
      4.38406      3.18911     13.02635        -0.090876      0.069303      0.080778
      7.31247      4.51269      5.42672        -0.076673      0.027850     -0.019230
      7.54191      2.94839      6.92355        -0.001983      0.226080     -0.124232
      5.54420      3.47910      6.12471        -0.001246      0.035205     -0.213022
     -0.58630      7.25679      4.57706         0.027518     -0.083921      0.150368
      0.80957      7.26922      2.96929         0.181928      0.077644     -0.040781
     -0.96448      5.94713      2.90319        -0.001358      0.015635      0.019611
      3.10458      5.79420      9.90537        -0.186998      0.001053     -0.055550
      1.70768      4.57129      8.79397        -0.213466      0.016943     -0.044558
      3.74714      4.75115      8.10479         0.150780      0.177089      0.085354
      6.17792      6.88404      3.56540        -0.032755      0.090370     -0.100839
      4.23725      7.59143      4.37793         0.131132     -0.025391     -0.137701
      4.99600      5.67482      4.96555        -0.089682      0.139686     -0.148619
     -0.19317      8.52077     20.93403         0.093283     -0.054786      0.227360
      1.43571      7.17259     -0.86411         0.023824     -0.071802     -0.519418
      0.06718      6.64251      0.71800         0.392226      0.365307     -0.010404
     19.45270      9.48487     19.21087         0.054339      0.118477     -0.131074
     19.61172     10.27745     17.15870        -0.092572     -0.035148      0.044195
     18.15575      8.72618     17.64046         0.124135      0.072477      0.023255
      4.84124      8.31815     20.02546        -0.158339      0.148654     -0.261600
      3.67436      6.85283     19.00891        -0.009239      0.100922      0.076895
      4.71296      8.35632     17.81004        -0.123672     -0.158345      0.084132
      3.20123     11.60853     14.19687        -0.040433      0.043806      0.103544
      2.62344     11.43331     16.30196        -0.014788     -0.003666      0.104139
      4.06994     10.07004     15.46864         0.118250     -0.006447     -0.088819
     17.26102     11.25819     13.39516        -0.034699      0.054317      0.204895
     18.75932      9.89067     12.70173        -0.022449      0.043481     -0.127606
     18.07560      9.77386     14.77764        -0.013724      0.017142      0.082746
     16.23922     14.19446      9.84722        -0.082260      0.096460      0.096002
     17.86800     14.90283      8.55511         0.110531     -0.044975     -0.158802
     16.31976     13.65749      7.72291         0.103911     -0.016645     -0.074764
      1.83987     12.58060     12.28101        -0.052224      0.115943     -0.037905
      0.40780     11.10009     11.74179         0.146491      0.111283     -0.008084
      1.41652     12.27106     10.17332        -0.058314     -0.002968     -0.037107
      1.26185     15.76483      6.77627        -0.093377      0.070735     -0.011203
      0.23169     15.61471      8.72082         0.144801     -0.067126      0.024135
      1.75451     14.17889      8.19340         0.051870      0.028546     -0.142839
     17.78768     16.33952      2.52200         0.224871      0.052545      0.091167
     19.27996     14.82532      3.04313         0.085492      0.056575     -0.068366
     17.21353     14.67061      3.78717         0.112166      0.163950     -0.077570
 -----------------------------------------------------------------------------------
    total drift:                               -0.002600      0.002415      0.007226


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4575.8890021447 eV

  energy  without entropy=    -4576.0410623582  energy(sigma->0) =    -4575.93968888
 
 d Force = 0.5629057E+00[ 0.299E+00, 0.827E+00]  d Energy = 0.5631252E+00-0.219E-03
 d Force = 0.7657634E+03[ 0.764E+03, 0.767E+03]  d Ewald  = 0.7657684E+03-0.508E-02


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.563125  1 .order   -0.562906   -0.827020   -0.298791
  (g-gl).g = 0.339E+01      g.g   = 0.330E+01  gl.gl    = 0.352E+01
 g(Force)  = 0.330E+01   g(Stress)= 0.000E+00 ortho     =-0.142E-01
 gamma     =   0.96261
 trial     =   0.25129
 opt step  =   0.39343  (harmonic =   0.39343) maximal distance =0.06439563
 next E    = -4575.973288   (d E  =  -0.64741)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   75(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3160
 total energy-change (2. order) : 0.2774044E+00  (-0.1788407E+02)
 number of electron    2497.9999928 magnetization 
 augmentation part      162.6142172 magnetization 

  free energy =  -0.457561158788E+04  energy without entropy=  -0.457576326082E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   75(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3480
 total energy-change (2. order) :-0.3682925E+00  (-0.4474251E+00)
 number of electron    2497.9999927 magnetization 
 augmentation part      162.6257162 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8721
  0.8721

  free energy =  -0.457597988038E+04  energy without entropy=  -0.457613201929E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   75(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3680
 total energy-change (2. order) : 0.1112281E-01  (-0.8981244E-02)
 number of electron    2497.9999927 magnetization 
 augmentation part      162.6120843 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4304
  1.0789  1.7818

  free energy =  -0.457596875757E+04  energy without entropy=  -0.457612099923E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   75(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) :-0.3237789E-02  (-0.7776716E-02)
 number of electron    2497.9999927 magnetization 
 augmentation part      162.6031410 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2858
  2.2013  0.8280  0.8280

  free energy =  -0.457597199536E+04  energy without entropy=  -0.457612387141E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   75(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3792
 total energy-change (2. order) :-0.3192043E-03  (-0.1553649E-02)
 number of electron    2497.9999927 magnetization 
 augmentation part      162.6054310 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3361
  2.4045  1.0175  1.0175  0.9048

  free energy =  -0.457597231456E+04  energy without entropy=  -0.457612420834E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   75(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) : 0.6557010E-03  (-0.8899165E-03)
 number of electron    2497.9999927 magnetization 
 augmentation part      162.6051337 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2937
  2.3671  1.0711  1.0711  0.9796  0.9796

  free energy =  -0.457597165886E+04  energy without entropy=  -0.457612356719E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   75(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3624
 total energy-change (2. order) :-0.2232622E-04  (-0.1297237E-03)
 number of electron    2497.9999927 magnetization 
 augmentation part      162.6064109 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2864
  2.4146  1.0212  1.0212  1.2272  1.2272  0.8066

  free energy =  -0.457597168119E+04  energy without entropy=  -0.457612351617E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   75(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) : 0.9398238E-05  (-0.2132613E-04)
 number of electron    2497.9999927 magnetization 
 augmentation part      162.6070206 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2583
  2.4544  1.0505  1.0505  1.4179  1.1124  0.8611  0.8611

  free energy =  -0.457597167179E+04  energy without entropy=  -0.457612353508E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   75(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3392
 total energy-change (2. order) :-0.1158917E-04  (-0.6636553E-05)
 number of electron    2497.9999927 magnetization 
 augmentation part      162.6066729 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2534
  2.5299  1.7371  1.0491  1.0491  1.0829  0.9369  0.9369  0.7055

  free energy =  -0.457597168338E+04  energy without entropy=  -0.457612345207E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   75(  10)  ---------------------------------------



 eigenvalue-minimisations  :  2232
 total energy-change (2. order) :-0.6879156E-05  (-0.9232030E-06)
 number of electron    2497.9999927 magnetization 
 augmentation part      162.6066729 magnetization 

  free energy =  -0.457597169026E+04  energy without entropy=  -0.457612350190E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0748       2 -56.1237       3 -56.0152       4 -55.8512       5 -55.8386
       6 -56.2963       7 -58.1463       8 -58.2481       9 -56.2623      10 -55.9287
      11 -56.0241      12 -55.8055      13 -55.8111      14 -55.9950      15 -58.0865
      16 -58.1051      17 -56.3455      18 -54.9738      19 -54.8433      20 -55.0616
      21 -55.6287      22 -55.5642      23 -55.5954      24 -55.6091      25 -55.0263
      26 -54.7314      27 -54.9222      28 -54.9624      29 -60.3914      30 -60.3585
      31 -55.6780      32 -55.7965      33 -55.7142      34 -55.4048      35 -55.5161
      36 -56.0072      37 -57.8200      38 -57.9658      39 -56.1021      40 -55.8008
      41 -55.9228      42 -55.6908      43 -55.7532      44 -55.9313      45 -58.0761
      46 -58.1393      47 -56.4703      48 -55.1417      49 -54.9390      50 -55.2837
      51 -55.8782      52 -55.8374      53 -55.7560      54 -55.7427      55 -55.0629
      56 -54.8499      57 -54.9984      58 -56.3831      59 -60.3483      60 -60.6092
      61 -55.9924      62 -56.0422      63 -55.9178      64 -55.7988      65 -55.7686
      66 -56.2316      67 -58.0751      68 -58.0961      69 -56.1940      70 -55.8708
      71 -55.9814      72 -55.6871      73 -55.6976      74 -55.9407      75 -58.0561
      76 -58.0781      77 -56.3398      78 -55.0723      79 -54.8908      80 -55.1948
      81 -55.8117      82 -55.8057      83 -55.8563      84 -55.9048      85 -55.2664
      86 -54.9903      87 -55.1861      88 -56.3836      89 -60.6455      90 -60.3813
      91 -55.7303      92 -55.8450      93 -55.7621      94 -55.5177      95 -55.5853
      96 -56.1040      97 -57.9032      98 -57.9941      99 -56.2102     100 -55.9052
     101 -56.0502     102 -55.7178     103 -55.7915     104 -56.0146     105 -58.1308
     106 -58.1608     107 -56.4481     108 -55.1804     109 -54.9707     110 -55.3888
     111 -55.9042     112 -55.8578     113 -55.7515     114 -55.7756     115 -55.0417
     116 -54.8684     117 -55.0194     118 -56.3325     119 -60.4476     120 -60.5964
     121 -55.9728     122 -55.9815     123 -55.8515     124 -55.7887     125 -55.7804
     126 -56.2017     127 -58.1005     128 -58.1732     129 -56.1628     130 -55.7890
     131 -55.8880     132 -55.7046     133 -55.6143     134 -55.8075     135 -57.9096
     136 -58.0216     137 -56.3751     138 -55.0663     139 -54.9049     140 -55.3303
     141 -55.8916     142 -55.8140     143 -55.8649     144 -55.8693     145 -55.1834
     146 -55.0555     147 -55.2262     148 -56.3818     149 -60.4996     150 -60.5513
     151 -55.6780     152 -55.7267     153 -55.5607     154 -55.4391     155 -55.4680
     156 -55.9276     157 -57.9655     158 -57.9095     159 -56.0139     160 -55.7478
     161 -55.9104     162 -55.5497     163 -55.5826     164 -55.8012     165 -57.9652
     166 -58.0562     167 -56.3794     168 -55.0271     169 -54.7937     170 -55.2148
     171 -55.8405     172 -55.8675     173 -55.8455     174 -55.7793     175 -55.3008
     176 -54.9423     177 -55.0757     178 -56.4890     179 -60.4522     180 -60.5815
     181 -55.8563     182 -56.0671     183 -55.9295     184 -55.6433     185 -55.6712
     186 -56.2335     187 -58.0215     188 -58.2211     189 -56.2652     190 -55.8669
     191 -56.0252     192 -55.7543     193 -55.7322     194 -55.9480     195 -58.0439
     196 -58.1670     197 -56.4942     198 -55.0689     199 -54.8956     200 -55.2715
     201 -55.8341     202 -55.8429     203 -55.9246     204 -55.8919     205 -55.1524
     206 -55.2093     207 -55.2319     208 -56.4993     209 -60.7010     210 -60.4596
     211 -55.9945     212 -56.0506     213 -55.9429     214 -55.8067     215 -55.7723
     216 -56.2904     217 -58.1481     218 -58.1368     219 -56.1418     220 -55.8146
     221 -55.9112     222 -55.5674     223 -55.4991     224 -55.8092     225 -57.9647
     226 -58.0851     227 -56.4961     228 -55.0489     229 -54.9304     230 -55.2462
     231 -55.7668     232 -55.7757     233 -55.7415     234 -55.7457     235 -55.0106
     236 -55.0879     237 -55.2311     238 -56.4470     239 -60.3580     240 -60.4182
     241 -55.9976     242 -56.0218     243 -55.9046     244 -55.7788     245 -55.7671
     246 -56.2057     247 -58.0812     248 -58.1641     249 -56.1999     250 -55.8833
     251 -55.9894     252 -55.7534     253 -55.7584     254 -55.9450     255 -58.0082
     256 -58.0553     257 -56.3556     258 -55.0634     259 -54.8419     260 -55.2382
     261 -55.8013     262 -55.8090     263 -55.9136     264 -55.9688     265 -55.3258
     266 -54.9844     267 -55.2280     268 -56.3994     269 -60.6115     270 -60.3697
     271 -55.8846     272 -55.9543     273 -55.7961     274 -55.6876     275 -55.6287
     276 -56.0638     277 -58.0983     278 -58.1119     279 -55.9559     280 -55.6633
     281 -55.7730     282 -55.5327     283 -55.5513     284 -55.8248     285 -58.0390
     286 -57.9550     287 -56.3857     288 -55.0477     289 -54.8595     290 -55.2099
     291 -55.8262     292 -55.7797     293 -55.8341     294 -55.8426     295 -55.2174
     296 -54.9512     297 -55.0489     298 -56.4280     299 -60.4910     300 -60.5502
     301 -55.9097     302 -56.0405     303 -55.9414     304 -55.6607     305 -55.6985
     306 -56.2063     307 -58.0689     308 -58.2341     309 -56.2336     310 -55.9020
     311 -55.9892     312 -55.7184     313 -55.6911     314 -55.8930     315 -57.9887
     316 -58.0824     317 -56.3809     318 -55.0048     319 -54.8116     320 -55.2741
     321 -55.7811     322 -55.7408     323 -55.8654     324 -55.9029     325 -55.2271
     326 -55.0716     327 -55.2376     328 -56.4312     329 -60.5888     330 -60.4363
     331 -55.7224     332 -55.7571     333 -55.6178     334 -55.5587     335 -55.5308
     336 -55.9723     337 -57.9462     338 -57.9235     339 -55.8797     340 -55.5803
     341 -55.7116     342 -55.4691     343 -55.4888     344 -55.7186     345 -57.9934
     346 -57.9685     347 -56.4578     348 -55.0149     349 -54.9481     350 -55.3063
     351 -55.8239     352 -55.7709     353 -55.7541     354 -55.7584     355 -55.2014
     356 -54.9231     357 -55.0129     358 -56.4340     359 -60.4614     360 -60.5529
     361 -39.1099     362 -38.8330     363 -38.9758     364 -39.0481     365 -38.9608
     366 -38.7449     367 -38.0962     368 -38.1393     369 -37.9670     370 -38.0999
     371 -38.1527     372 -38.1611     373 -38.6989     374 -38.3079     375 -38.6819
     376 -38.8261     377 -38.8653     378 -38.7439     379 -38.1807     380 -38.1746
     381 -38.2144     382 -37.9789     383 -38.2441     384 -38.0212     385 -38.9355
     386 -38.8178     387 -38.8950     388 -38.9142     389 -38.8680     390 -38.5803
     391 -38.2386     392 -38.3011     393 -38.1390     394 -38.1711     395 -38.2022
     396 -38.3075     397 -38.7525     398 -38.4229     399 -38.7821     400 -38.8935
     401 -38.8459     402 -38.7685     403 -38.2612     404 -38.2149     405 -38.4569
     406 -38.0984     407 -38.1180     408 -37.8626     409 -38.7914     410 -38.7809
     411 -38.9833     412 -38.7420     413 -38.9347     414 -38.6368     415 -38.2643
     416 -38.2785     417 -38.2420     418 -38.1156     419 -38.2394     420 -38.3479
     421 -38.6342     422 -38.3515     423 -38.6059     424 -38.7200     425 -38.6205
     426 -38.5834     427 -38.2648     428 -38.1116     429 -38.3113     430 -38.1976
     431 -38.1119     432 -38.0011     433 -38.7710     434 -38.6943     435 -38.9133
     436 -38.7426     437 -38.9715     438 -38.7117     439 -38.3576     440 -38.0874
     441 -38.0969     442 -38.1521     443 -38.3341     444 -38.1204     445 -38.9086
     446 -38.8918     447 -38.9545     448 -38.7395     449 -38.7622     450 -38.3857
     451 -38.0268     452 -37.9873     453 -38.1184     454 -37.9145     455 -38.1708
     456 -38.2261     457 -38.9451     458 -38.6990     459 -38.9048     460 -38.9179
     461 -38.9220     462 -38.6966     463 -38.1596     464 -38.2863     465 -38.1780
     466 -38.3522     467 -38.1353     468 -38.2185     469 -38.8975     470 -38.6801
     471 -38.7677     472 -38.7849     473 -38.6014     474 -38.4639     475 -38.2740
     476 -38.1450     477 -38.1141     478 -38.0966     479 -38.1643     480 -38.0486
     481 -38.9047     482 -38.7684     483 -38.9204     484 -38.8754     485 -38.9475
     486 -38.7571     487 -38.1470     488 -38.1678     489 -38.2323     490 -38.2341
     491 -38.2456     492 -38.3795     493 -38.8126     494 -38.4952     495 -38.6474
     496 -38.7059     497 -38.5106     498 -38.4786     499 -38.1976     500 -37.9856
     501 -38.1763     502 -38.1214     503 -38.1111     504 -38.0093     505 -38.1913
     506 -41.0243     507 -71.7175     508 -71.5899     509 -71.3289     510 -71.6053
     511 -71.6087     512 -71.5125     513 -71.4149     514 -71.5937     515 -71.6316
     516 -71.4506     517 -71.4528     518 -71.5178     519 -71.5194     520 -71.5863
     521 -71.5733     522 -71.4724     523 -71.5929     524 -71.5169     525 -71.5796
     526 -71.4349     527 -71.6510     528 -71.5197     529 -71.2168     530 -71.3756
     531 -76.9193     532 -76.7573     533 -76.7760     534 -76.7162     535 -76.6376
     536 -76.5091     537 -76.8367     538 -76.6808     539 -76.6343     540 -76.6802
     541 -76.7392     542 -76.6881     543 -76.6329     544 -76.5855     545 -76.7997
     546 -76.7244     547 -76.8189     548 -76.7610     549 -76.6710     550 -76.5699
     551 -76.5536     552 -76.6363     553 -76.6557     554 -76.6432     555 -76.8117
     556 -76.7932     557 -76.8215     558 -76.7158     559 -76.7343     560 -76.8296
     561 -76.7067     562 -76.6199     563 -76.8379     564 -76.6765     565 -76.7235
     566 -76.6090     567 -76.7633     568 -76.7453     569 -76.6727     570 -76.6803
     571 -76.8685     572 -76.7380     573 -76.7421     574 -76.6611     575 -76.5542
     576 -76.5781     577 -76.7540     578 -76.8146     579 -82.3369     580 -82.2882
     581 -82.2376     582 -82.3795     583 -82.2542     584 -82.2852     585 -82.4563
     586 -82.4980     587 -82.5947     588 -82.1565     589 -82.0836     590 -82.3548
     591 -82.3606     592 -82.1754     593 -82.2236     594 -82.5930     595 -82.4415
     596 -82.6081     597 -82.4780     598 -82.4565     599 -82.5762     600 -82.2107
     601 -82.2887     602 -82.4076     603 -82.4259     604 -82.3311     605 -82.5374
     606 -82.2378     607 -82.3104     608 -82.5540     609 -82.6527     610 -82.3097
     611 -82.4858     612 -82.4771     613 -82.2528     614 -82.3027     615 -82.4255
     616 -82.5415     617 -82.3932     618 -82.6818     619 -82.6507     620 -82.6463
     621 -82.2496     622 -82.4681     623 -82.2417     624 -82.3198     625 -82.3605
     626 -82.0980     627 -82.2411     628 -82.2699     629 -82.2236     630 -82.2903
     631 -82.6675     632 -82.3426     633 -82.4244     634 -82.4788     635 -82.5229
     636 -82.3330     637 -82.4311     638 -82.2612     639 -82.2751     640 -82.3983
     641 -82.3932     642 -82.3919     643 -82.5973     644 -82.4170     645 -82.4234
     646 -82.4089     647 -82.5683     648 -82.3750     649 -82.3735     650 -82.2440
 
 
 
 E-fermi :  -1.4693     XC(G=0):  -6.5253     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.1040      2.00000
      2     -28.9224      2.00000
      3     -28.9040      2.00000
      4     -28.8644      2.00000
      5     -28.8608      2.00000
      6     -28.8519      2.00000
      7     -28.8291      2.00000
      8     -28.8252      2.00000
      9     -28.7801      2.00000
     10     -28.7743      2.00000
     11     -28.7291      2.00000
     12     -28.7179      2.00000
     13     -28.7009      2.00000
     14     -28.6902      2.00000
     15     -28.6845      2.00000
     16     -28.6722      2.00000
     17     -28.6685      2.00000
     18     -28.6545      2.00000
     19     -28.6379      2.00000
     20     -28.5872      2.00000
     21     -28.5757      2.00000
     22     -28.5588      2.00000
     23     -28.5344      2.00000
     24     -28.5220      2.00000
     25     -26.8126      2.00000
     26     -26.6855      2.00000
     27     -26.6541      2.00000
     28     -26.6450      2.00000
     29     -26.6343      2.00000
     30     -26.5890      2.00000
     31     -26.5875      2.00000
     32     -26.5568      2.00000
     33     -26.5537      2.00000
     34     -26.5440      2.00000
     35     -26.5432      2.00000
     36     -26.5245      2.00000
     37     -26.5226      2.00000
     38     -26.5169      2.00000
     39     -26.5125      2.00000
     40     -26.5013      2.00000
     41     -26.4781      2.00000
     42     -26.4706      2.00000
     43     -26.4674      2.00000
     44     -26.4620      2.00000
     45     -26.4520      2.00000
     46     -26.4440      2.00000
     47     -26.4296      2.00000
     48     -26.4190      2.00000
     49     -26.4179      2.00000
     50     -26.4151      2.00000
     51     -26.3979      2.00000
     52     -26.3973      2.00000
     53     -26.3878      2.00000
     54     -26.3699      2.00000
     55     -26.3568      2.00000
     56     -26.3487      2.00000
     57     -26.3427      2.00000
     58     -26.3409      2.00000
     59     -26.3237      2.00000
     60     -26.3143      2.00000
     61     -26.3027      2.00000
     62     -26.2887      2.00000
     63     -26.2860      2.00000
     64     -26.2757      2.00000
     65     -26.2732      2.00000
     66     -26.2567      2.00000
     67     -26.2552      2.00000
     68     -26.2482      2.00000
     69     -26.2273      2.00000
     70     -26.2262      2.00000
     71     -26.1480      2.00000
     72     -26.1427      2.00000
     73     -23.4020      2.00000
     74     -23.2444      2.00000
     75     -23.1766      2.00000
     76     -23.1571      2.00000
     77     -23.1502      2.00000
     78     -23.1442      2.00000
     79     -23.1379      2.00000
     80     -23.1046      2.00000
     81     -23.1031      2.00000
     82     -23.0986      2.00000
     83     -23.0820      2.00000
     84     -23.0744      2.00000
     85     -23.0696      2.00000
     86     -23.0523      2.00000
     87     -23.0448      2.00000
     88     -23.0431      2.00000
     89     -23.0423      2.00000
     90     -22.9998      2.00000
     91     -22.9964      2.00000
     92     -22.9872      2.00000
     93     -22.9398      2.00000
     94     -22.9391      2.00000
     95     -22.9310      2.00000
     96     -22.9107      2.00000
     97     -22.8864      2.00000
     98     -22.7575      2.00000
     99     -22.7541      2.00000
    100     -22.7442      2.00000
    101     -22.7280      2.00000
    102     -22.6894      2.00000
    103     -22.6564      2.00000
    104     -22.6505      2.00000
    105     -22.6288      2.00000
    106     -22.6269      2.00000
    107     -22.6135      2.00000
    108     -22.6106      2.00000
    109     -22.6055      2.00000
    110     -22.6047      2.00000
    111     -22.6001      2.00000
    112     -22.5779      2.00000
    113     -22.5749      2.00000
    114     -22.5600      2.00000
    115     -22.5580      2.00000
    116     -22.5220      2.00000
    117     -22.4982      2.00000
    118     -22.4850      2.00000
    119     -22.4830      2.00000
    120     -22.4000      2.00000
    121     -20.4897      2.00000
    122     -20.3916      2.00000
    123     -20.3801      2.00000
    124     -20.3563      2.00000
    125     -20.3505      2.00000
    126     -20.3401      2.00000
    127     -20.3385      2.00000
    128     -20.3338      2.00000
    129     -20.3279      2.00000
    130     -20.3276      2.00000
    131     -20.3206      2.00000
    132     -20.3135      2.00000
    133     -20.3064      2.00000
    134     -20.2855      2.00000
    135     -20.2831      2.00000
    136     -20.2789      2.00000
    137     -20.2315      2.00000
    138     -20.2111      2.00000
    139     -20.1932      2.00000
    140     -20.1856      2.00000
    141     -20.1244      2.00000
    142     -20.1100      2.00000
    143     -20.0899      2.00000
    144     -20.0323      2.00000
    145     -18.6528      2.00000
    146     -18.5295      2.00000
    147     -18.5274      2.00000
    148     -18.5177      2.00000
    149     -18.4900      2.00000
    150     -18.4629      2.00000
    151     -18.4555      2.00000
    152     -18.4506      2.00000
    153     -18.4285      2.00000
    154     -18.4021      2.00000
    155     -18.3851      2.00000
    156     -18.3738      2.00000
    157     -18.3282      2.00000
    158     -18.2717      2.00000
    159     -18.2323      2.00000
    160     -18.2299      2.00000
    161     -18.2213      2.00000
    162     -18.1896      2.00000
    163     -18.1868      2.00000
    164     -18.1591      2.00000
    165     -18.1567      2.00000
    166     -18.1426      2.00000
    167     -18.0873      2.00000
    168     -18.0605      2.00000
    169     -17.9428      2.00000
    170     -17.9361      2.00000
    171     -17.9231      2.00000
    172     -17.8882      2.00000
    173     -17.8697      2.00000
    174     -17.8522      2.00000
    175     -17.8326      2.00000
    176     -17.8248      2.00000
    177     -17.8053      2.00000
    178     -17.7736      2.00000
    179     -17.7494      2.00000
    180     -17.7363      2.00000
    181     -17.6036      2.00000
    182     -17.5911      2.00000
    183     -17.5557      2.00000
    184     -17.5402      2.00000
    185     -17.5210      2.00000
    186     -17.5077      2.00000
    187     -17.5013      2.00000
    188     -17.4843      2.00000
    189     -17.4810      2.00000
    190     -17.4416      2.00000
    191     -17.4373      2.00000
    192     -17.4357      2.00000
    193     -16.7599      2.00000
    194     -16.7226      2.00000
    195     -16.6957      2.00000
    196     -16.6886      2.00000
    197     -16.6693      2.00000
    198     -16.6241      2.00000
    199     -16.5895      2.00000
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   1337       2.6384     -0.00000
   1338       2.6485     -0.00000
   1339       2.6572     -0.00000
   1340       2.6613     -0.00000
   1341       2.6723     -0.00000
   1342       2.6971     -0.00000
   1343       2.7383     -0.00000
   1344       2.7637     -0.00000
   1345       2.8134     -0.00000
   1346       2.9515     -0.00000
   1347       2.9759     -0.00000
   1348       3.0057     -0.00000
   1349       3.0189     -0.00000
   1350       3.0419     -0.00000
   1351       3.0581     -0.00000
   1352       3.0653     -0.00000
   1353       3.0786     -0.00000
   1354       3.1154     -0.00000
   1355       3.1425     -0.00000
   1356       3.1477     -0.00000
   1357       3.1616     -0.00000
   1358       3.1666     -0.00000
   1359       3.1892     -0.00000
   1360       3.2139     -0.00000
   1361       3.2588     -0.00000
   1362       3.3131     -0.00000
   1363       3.4416     -0.00000
   1364       3.5215     -0.00000
   1365       3.5560     -0.00000
   1366       3.5962     -0.00000
   1367       3.6339     -0.00000
   1368       3.7006     -0.00000
   1369       3.7157     -0.00000
   1370       3.7529     -0.00000
   1371       3.7894     -0.00000
   1372       3.7962     -0.00000
   1373       3.8369     -0.00000
   1374       3.8432     -0.00000
   1375       3.8572      0.00000
   1376       3.8834      0.00000
   1377       3.8985      0.00000
   1378       3.9118      0.00000
   1379       3.9246      0.00000
   1380       3.9325      0.00000
   1381       3.9419      0.00000
   1382       3.9488      0.00000
   1383       3.9641      0.00000
   1384       3.9785      0.00000
   1385       3.9911      0.00000
   1386       4.0047      0.00000
   1387       4.0152      0.00000
   1388       4.0260      0.00000
   1389       4.0405      0.00000
   1390       4.0482      0.00000
   1391       4.0638      0.00000
   1392       4.0691      0.00000
   1393       4.0955      0.00000
   1394       4.1040      0.00000
   1395       4.1106      0.00000
   1396       4.1176      0.00000
   1397       4.1389      0.00000
   1398       4.1461      0.00000
   1399       4.1559      0.00000
   1400       4.1766      0.00000
   1401       4.1876      0.00000
   1402       4.2097      0.00000
   1403       4.2173      0.00000
   1404       4.2280      0.00000
   1405       4.2355      0.00000
   1406       4.2452      0.00000
   1407       4.2569      0.00000
   1408       4.2991      0.00000
   1409       4.3116      0.00000
   1410       4.3239      0.00000
   1411       4.3285      0.00000
   1412       4.3468      0.00000
   1413       4.3588      0.00000
   1414       4.3665      0.00000
   1415       4.3857      0.00000
   1416       4.3986      0.00000
   1417       4.4163      0.00000
   1418       4.4219      0.00000
   1419       4.4388      0.00000
   1420       4.4466      0.00000
   1421       4.4626      0.00000
   1422       4.4661      0.00000
   1423       4.4768      0.00000
   1424       4.5081      0.00000
   1425       4.5313      0.00000
   1426       4.5401      0.00000
   1427       4.5486      0.00000
   1428       4.5596      0.00000
   1429       4.5917      0.00000
   1430       4.6070      0.00000
   1431       4.6356      0.00000
   1432       4.6505      0.00000
   1433       4.6729      0.00000
   1434       4.7052      0.00000
   1435       4.7418      0.00000
   1436       4.7764      0.00000
   1437       4.7928      0.00000
   1438       4.8048      0.00000
   1439       4.8249      0.00000
   1440       4.8405      0.00000
   1441       4.8685      0.00000
   1442       4.8713      0.00000
   1443       4.9154      0.00000
   1444       4.9260      0.00000
   1445       4.9268      0.00000
   1446       4.9425      0.00000
   1447       4.9636      0.00000
   1448       4.9790      0.00000
   1449       5.0004      0.00000
   1450       5.0141      0.00000
   1451       5.0335      0.00000
   1452       5.0415      0.00000
   1453       5.0627      0.00000
   1454       5.0759      0.00000
   1455       5.0895      0.00000
   1456       5.1014      0.00000
   1457       5.1219      0.00000
   1458       5.1370      0.00000
   1459       5.1403      0.00000
   1460       5.1658      0.00000
   1461       5.1861      0.00000
   1462       5.2025      0.00000
   1463       5.2136      0.00000
   1464       5.2371      0.00000
   1465       5.2481      0.00000
   1466       5.2543      0.00000
   1467       5.2641      0.00000
   1468       5.2775      0.00000
   1469       5.2849      0.00000
   1470       5.3008      0.00000
   1471       5.3116      0.00000
   1472       5.3272      0.00000
   1473       5.3376      0.00000
   1474       5.3486      0.00000
   1475       5.3512      0.00000
   1476       5.3560      0.00000
   1477       5.3685      0.00000
   1478       5.3720      0.00000
   1479       5.3797      0.00000
   1480       5.3962      0.00000
   1481       5.4010      0.00000
   1482       5.4129      0.00000
   1483       5.4213      0.00000
   1484       5.4294      0.00000
   1485       5.4413      0.00000
   1486       5.4455      0.00000
   1487       5.4496      0.00000
   1488       5.4588      0.00000
   1489       5.4748      0.00000
   1490       5.4876      0.00000
   1491       5.4966      0.00000
   1492       5.4988      0.00000
   1493       5.5092      0.00000
   1494       5.5107      0.00000
   1495       5.5191      0.00000
   1496       5.5226      0.00000
   1497       5.5333      0.00000
   1498       5.5498      0.00000
   1499       5.5526      0.00000
   1500       5.5551      0.00000
   1501       5.5629      0.00000
   1502       5.5890      0.00000
   1503       5.5910      0.00000
   1504       5.5975      0.00000
   1505       5.6092      0.00000
   1506       5.6166      0.00000
   1507       5.6273      0.00000
   1508       5.6310      0.00000
   1509       5.6384      0.00000
   1510       5.6462      0.00000
   1511       5.6491      0.00000
   1512       5.6608      0.00000
   1513       5.6752      0.00000
   1514       5.6933      0.00000
   1515       5.7035      0.00000
   1516       5.7121      0.00000
   1517       5.7157      0.00000
   1518       5.7224      0.00000
   1519       5.7320      0.00000
   1520       5.7475      0.00000
   1521       5.7502      0.00000
   1522       5.7617      0.00000
   1523       5.7703      0.00000
   1524       5.7777      0.00000
   1525       5.7967      0.00000
   1526       5.8060      0.00000
   1527       5.8167      0.00000
   1528       5.8201      0.00000
   1529       5.8437      0.00000
   1530       5.8463      0.00000
   1531       5.8586      0.00000
   1532       5.8592      0.00000
   1533       5.8686      0.00000
   1534       5.8783      0.00000
   1535       5.8841      0.00000
   1536       5.8906      0.00000
   1537       5.9085      0.00000
   1538       5.9126      0.00000
   1539       5.9210      0.00000
   1540       5.9295      0.00000
   1541       5.9601      0.00000
   1542       5.9670      0.00000
   1543       5.9769      0.00000
   1544       5.9805      0.00000
   1545       5.9845      0.00000
   1546       5.9974      0.00000
   1547       6.0038      0.00000
   1548       6.0068      0.00000
   1549       6.0220      0.00000
   1550       6.0301      0.00000
   1551       6.0385      0.00000
   1552       6.0444      0.00000
   1553       6.0481      0.00000
   1554       6.0613      0.00000
   1555       6.0683      0.00000
   1556       6.0756      0.00000
   1557       6.0904      0.00000
   1558       6.0998      0.00000
   1559       6.1035      0.00000
   1560       6.1139      0.00000
   1561       6.1302      0.00000
   1562       6.1315      0.00000
   1563       6.1431      0.00000
   1564       6.1515      0.00000
   1565       6.1575      0.00000
   1566       6.1669      0.00000
   1567       6.1812      0.00000
   1568       6.1948      0.00000
   1569       6.1980      0.00000
   1570       6.2110      0.00000
   1571       6.2189      0.00000
   1572       6.2306      0.00000
   1573       6.2351      0.00000
   1574       6.2362      0.00000
   1575       6.2452      0.00000
   1576       6.2608      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.089  13.414  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.414  17.834  -0.001   0.002  -0.000   0.003  -0.006   0.001
 -0.001  -0.001  -4.235   0.003   0.001   8.284  -0.005  -0.001
  0.001   0.002   0.003  -4.235   0.001  -0.005   8.283  -0.001
 -0.000  -0.000   0.001   0.001  -4.228  -0.001  -0.001   8.274
  0.002   0.003   8.284  -0.005  -0.001 -18.333   0.008   0.001
 -0.004  -0.006  -0.005   8.283  -0.001   0.008 -18.329  -0.000
  0.000   0.001  -0.001  -0.001   8.274   0.001  -0.000 -18.323
 total augmentation occupancy for first ion, spin component:           1
  8.392  -3.772   0.172   0.146  -0.054   0.021   0.027  -0.009
 -3.772   1.767  -0.088  -0.100   0.032  -0.009  -0.016   0.005
  0.172  -0.088   1.772  -0.062  -0.039   0.168  -0.012  -0.007
  0.146  -0.100  -0.062   1.888  -0.093  -0.012   0.176  -0.013
 -0.054   0.032  -0.039  -0.093   1.226  -0.007  -0.013   0.081
  0.021  -0.009   0.168  -0.012  -0.007   0.018  -0.002  -0.001
  0.027  -0.016  -0.012   0.176  -0.013  -0.002   0.018  -0.002
 -0.009   0.005  -0.007  -0.013   0.081  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -49589.65089 86725.80202 20594.57680 -9858.11460  6171.07146 18598.78468
  Hartree  6123.31743113671.39377 58468.26164-10312.93875  4139.70230 12825.49582
  E(xc)  -10733.72521-10586.19525-10628.05794     2.84473     8.26685    33.67106
  Local   10037.17932************************ 20172.03000-10328.47297-30814.52603
  n-local -5841.00937 -5979.25284 -6033.30902     4.97783    16.43058   -66.50675
  augment  1493.35070  1534.92027  1487.70843     4.45627    12.47584    -3.71130
  Kinetic 45479.52908 43244.52895 43647.24878   -33.65047   -68.85720  -581.54156
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -123.1502156   -401.4920071   -167.4019678    -20.3949846    -49.3831233     -8.3340806
  in kB      -20.5362842    -66.9520059    -27.9156181     -3.4010269     -8.2350311     -1.3897746
  external PRESSURE =     -38.4679694 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.225E+03 -.106E+03 0.244E+03   0.225E+03 0.106E+03 -.245E+03   -.163E+00 -.567E+00 0.158E+01   0.180E-02 0.592E-03 0.612E-03
   -.182E+03 -.133E+03 0.602E+02   0.182E+03 0.134E+03 -.599E+02   0.281E+00 -.114E+01 -.343E+00   0.110E-02 0.583E-03 0.845E-03
   -.150E+03 -.122E+03 0.566E+01   0.149E+03 0.123E+03 -.410E+01   0.411E+00 -.136E+01 -.166E+01   0.114E-02 0.412E-03 0.935E-03
   -.209E+03 -.911E+02 0.329E+03   0.210E+03 0.911E+02 -.331E+03   -.320E+00 0.231E-02 0.254E+01   0.259E-02 0.235E-03 0.840E-03
   -.157E+03 -.144E+03 0.294E+03   0.157E+03 0.145E+03 -.295E+03   0.190E+00 -.846E+00 0.117E+01   0.254E-02 0.387E-03 0.103E-02
   -.136E+03 -.110E+03 0.168E+03   0.136E+03 0.110E+03 -.168E+03   0.763E-01 -.618E-01 0.153E+00   0.178E-02 0.542E-03 0.903E-03
   -.228E+03 -.130E+03 0.173E+03   0.227E+03 0.134E+03 -.175E+03   0.391E+00 -.451E+01 0.971E+00   0.164E-02 0.102E-02 0.359E-03
   -.181E+03 -.101E+03 0.314E+02   0.182E+03 0.105E+03 -.335E+02   -.689E+00 -.394E+01 0.201E+01   0.511E-03 0.820E-03 0.117E-02
   -.953E+02 0.408E+01 0.194E+03   0.952E+02 -.409E+01 -.195E+03   0.166E+00 0.217E-01 0.458E-01   0.178E-02 0.719E-03 0.654E-03
   -.779E+02 0.874E+02 0.611E+02   0.776E+02 -.888E+02 -.599E+02   0.329E+00 0.158E+01 -.119E+01   0.152E-02 0.223E-03 0.616E-03
   -.799E+02 0.102E+03 0.131E+03   0.796E+02 -.104E+03 -.131E+03   0.308E+00 0.995E+00 -.303E-01   0.156E-02 -.434E-03 0.225E-03
   -.948E+02 -.474E+01 0.326E+03   0.948E+02 0.452E+01 -.327E+03   0.192E-01 0.338E+00 0.123E+01   0.205E-02 0.892E-03 0.335E-03
   -.104E+03 -.461E+02 0.355E+03   0.104E+03 0.470E+02 -.357E+03   -.340E+00 -.105E+01 0.226E+01   0.172E-02 0.291E-03 -.311E-03
   -.102E+03 0.181E+02 0.298E+03   0.102E+03 -.182E+02 -.299E+03   0.436E-01 -.695E-02 0.160E+01   0.154E-02 -.709E-03 -.323E-03
   -.988E+02 0.102E+03 0.262E+03   0.982E+02 -.105E+03 -.265E+03   0.510E+00 0.401E+01 0.248E+01   0.134E-02 -.168E-02 -.426E-03
   -.788E+02 0.113E+03 0.989E+02   0.787E+02 -.116E+03 -.103E+03   0.201E-01 0.290E+01 0.339E+01   0.146E-02 -.137E-02 0.603E-03
   -.621E+02 0.103E+03 0.483E+02   0.626E+02 -.985E+02 -.441E+02   -.473E+00 -.458E+01 -.436E+01   0.150E-02 -.171E-02 0.102E-04
   0.357E+01 0.203E+03 -.150E+03   -.406E+01 -.205E+03 0.152E+03   0.374E+00 0.181E+01 -.214E+01   0.152E-02 -.162E-02 0.127E-03
   0.370E+02 0.151E+03 -.198E+03   -.374E+02 -.152E+03 0.200E+03   0.424E+00 0.321E+00 -.176E+01   0.157E-02 -.736E-03 0.873E-04
   -.638E+02 0.101E+03 0.178E+03   0.649E+02 -.100E+03 -.182E+03   -.114E+01 -.860E+00 0.312E+01   0.153E-02 -.931E-03 0.350E-03
   0.568E+01 0.632E+02 0.514E+01   -.690E+01 -.647E+02 -.391E+01   0.119E+01 0.151E+01 -.133E+01   0.168E-02 -.174E-03 0.499E-03
   0.194E+02 0.983E+01 -.123E+03   -.195E+02 -.100E+02 0.124E+03   -.205E-01 0.245E+00 -.858E+00   0.156E-02 0.481E-04 0.385E-03
   -.153E+02 -.391E+02 -.171E+03   0.157E+02 0.392E+02 0.171E+03   -.345E+00 -.218E+00 0.551E+00   0.137E-02 0.486E-03 0.253E-03
   -.298E+02 -.800E+02 -.227E+03   0.309E+02 0.818E+02 0.226E+03   -.113E+01 -.153E+01 0.112E+01   0.742E-03 0.730E-03 0.285E-03
   -.104E+02 -.161E+03 -.330E+03   0.984E+01 0.161E+03 0.332E+03   0.614E+00 -.539E+00 -.168E+01   0.454E-03 0.768E-03 0.534E-03
   -.948E+02 -.162E+03 -.155E+03   0.960E+02 0.162E+03 0.154E+03   -.114E+01 -.589E-01 0.173E+01   0.182E-02 0.537E-03 0.363E-03
   -.887E+02 -.274E+03 -.186E+03   0.891E+02 0.274E+03 0.186E+03   -.499E+00 -.768E+00 0.232E+00   0.185E-02 0.665E-03 0.351E-03
   -.330E+02 -.262E+03 -.281E+03   0.328E+02 0.264E+03 0.281E+03   0.184E+00 -.132E+01 -.439E+00   0.135E-02 0.732E-03 0.510E-03
   -.403E+02 -.265E+02 -.220E+03   0.461E+02 0.344E+02 0.215E+03   -.583E+01 -.796E+01 0.470E+01   0.806E-04 0.593E-03 0.725E-03
   0.304E+00 0.530E+02 0.234E+02   -.497E+01 -.617E+02 -.188E+02   0.472E+01 0.872E+01 -.478E+01   0.195E-02 -.746E-04 0.143E-02
   -.185E+03 -.226E+02 -.475E+02   0.186E+03 0.229E+02 0.492E+02   -.322E+00 -.950E-01 -.164E+01   -.444E-03 -.330E-03 0.862E-03
   -.122E+03 -.142E+03 0.135E+03   0.122E+03 0.143E+03 -.135E+03   0.637E-02 -.126E+01 -.205E+00   -.342E-03 0.119E-04 0.106E-02
   -.129E+03 -.155E+03 0.190E+03   0.128E+03 0.156E+03 -.191E+03   0.421E+00 -.174E+01 0.112E+01   -.232E-03 0.150E-03 0.605E-03
   -.283E+03 0.123E+02 -.174E+03   0.283E+03 -.137E+02 0.176E+03   -.102E+00 0.140E+01 -.257E+01   0.230E-03 -.526E-03 -.191E-04
   -.278E+03 -.605E+02 -.185E+03   0.278E+03 0.607E+02 0.186E+03   -.735E-01 -.201E+00 -.121E+01   0.747E-03 -.170E-03 -.199E-03
   -.195E+03 -.709E+02 0.820E+01   0.195E+03 0.707E+02 -.820E+01   0.309E+00 0.699E-01 0.491E-01   0.237E-03 -.126E-03 0.792E-04
   -.996E+02 -.523E+02 -.141E+02   0.101E+03 0.564E+02 0.164E+02   -.849E+00 -.404E+01 -.255E+01   -.907E-03 -.484E-04 0.156E-02
   -.650E+02 -.133E+03 0.107E+03   0.651E+02 0.136E+03 -.104E+03   -.586E-01 -.301E+01 -.361E+01   -.392E-03 0.258E-03 0.157E-02
   -.171E+03 0.481E+02 0.905E+01   0.171E+03 -.484E+02 -.915E+01   0.121E+00 0.246E+00 0.877E-01   0.404E-03 -.258E-03 -.186E-03
   -.898E+02 0.534E+02 0.211E+03   0.895E+02 -.545E+02 -.212E+03   0.335E+00 0.107E+01 0.179E+01   -.126E-03 -.254E-03 -.364E-03
   -.647E+02 0.742E+02 0.123E+03   0.647E+02 -.756E+02 -.123E+03   -.927E-01 0.124E+01 0.386E+00   -.152E-03 -.929E-03 -.426E-03
   -.208E+03 0.936E+02 -.216E+03   0.208E+03 -.944E+02 0.216E+03   -.151E+00 0.105E+01 -.866E+00   0.102E-02 -.276E-03 -.206E-03
   -.173E+03 0.474E+02 -.289E+03   0.173E+03 -.476E+02 0.291E+03   0.104E+00 0.218E+00 -.229E+01   0.723E-03 -.755E-03 -.198E-03
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   -.160E+03 -.420E+03 -.169E+03   0.174E+03 0.471E+03 0.178E+03   -.147E+02 -.509E+02 -.883E+01   0.318E-03 0.979E-03 0.109E-02
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   0.760E+03 -.176E+03 0.796E+02   -.799E+03 0.208E+03 -.101E+03   0.393E+02 -.319E+02 0.218E+02   -.771E-02 0.745E-03 0.539E-03
   0.168E+03 0.303E+03 0.241E+03   -.143E+03 -.323E+03 -.281E+03   -.243E+02 0.193E+02 0.403E+02   -.502E-02 0.690E-03 -.156E-02
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   -.124E+03 0.183E+03 0.520E+03   0.164E+03 -.211E+03 -.539E+03   -.397E+02 0.282E+02 0.196E+02   0.705E-03 -.191E-02 0.230E-02
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 -----------------------------------------------------------------------------------------------
   0.346E+02 0.482E+01 -.191E+02   -.409E-11 -.568E-13 -.199E-11   -.344E+02 -.482E+01 0.191E+02   -.170E+00 -.568E-02 0.438E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.16651      3.15085      1.33489        -0.002299      0.113256      0.180428
     12.92490      3.58839      2.63809         0.059736      0.123384     -0.076321
     12.86993      4.95170      2.96536         0.054306     -0.306840     -0.097625
     13.21472      4.07625      0.29385         0.008521      0.017278      0.126873
     13.07906      5.43358      0.60562         0.107770     -0.110673      0.144607
     12.98886      5.92055      1.93699         0.020731      0.207569     -0.053070
     13.30422      1.66873      1.35481         0.070020     -0.355596     -0.463002
     12.72820      2.38104      3.50186        -0.015795      0.115426     -0.163192
     13.07485      7.40440      2.21318         0.079082      0.016853     -0.193950
     13.08976      7.94952      3.52262        -0.028464      0.127137     -0.048498
     13.30639      9.31964      3.70674         0.067108     -0.081154     -0.066582
     13.24142      8.32651      1.14181         0.105131      0.121048      0.168490
     13.46890      9.69927      1.33055        -0.077538     -0.180429      0.015370
     13.51385     10.18822      2.63595         0.052709     -0.200069      0.118389
     13.77252     11.55240      3.17029        -0.089361      0.494580     -0.057146
     13.38441     10.11027      4.97789        -0.024540     -0.053852     -0.178807
     13.75513     12.56765      5.53630         0.007125     -0.001149     -0.164474
     13.49694     12.43210      6.90679        -0.113532     -0.176715     -0.188342
     13.55069     13.52926      7.75027        -0.002540      0.221954      0.288935
     14.10503     13.85627      5.11039        -0.018236      0.007244     -0.283226
     14.15926     14.95683      5.97986        -0.016723     -0.010489     -0.101207
     13.85621     14.84816      7.37526        -0.081454      0.039375      0.123367
     13.89355     15.95799      8.41850         0.049620     -0.050418     -0.028964
     13.22763     16.00519      9.69741         0.034965      0.216864      0.111527
     13.30057     17.15986     10.50216         0.094633      0.244066     -0.009812
     14.66592     17.10294      8.14891         0.072447      0.104161      0.141000
     14.67895     18.26843      8.91120        -0.067583      0.017970      0.035398
     13.95610     18.32887     10.09600         0.024191     -0.183447      0.047677
     12.41569     14.89597     10.32883        -0.065934     -0.065614     -0.143045
     14.71727     16.18254      5.29684         0.056167     -0.011481     -0.163988
      9.84421      3.84378      4.71167        -0.011341      0.118366     -0.016239
      9.71575      4.76647      3.67572        -0.041006      0.056242     -0.009240
      9.73954      6.15376      3.91988         0.071279     -0.119019      0.038892
     10.08123      4.27328      6.01557         0.020480     -0.061356     -0.101843
     10.15632      5.64525      6.25815         0.071089     -0.009137     -0.130296
      9.96921      6.63053      5.24413         0.038179     -0.079799      0.041635
      9.63481      2.46655      4.18644         0.097921      0.128663     -0.225713
      9.57707      3.98802      2.38928         0.072303     -0.092705      0.323680
     10.03497      8.09236      5.62580         0.023189     -0.016947     -0.011678
     10.06389      9.15160      4.67771         0.031597     -0.062069      0.033644
     10.18377     10.47327      5.11201        -0.117316     -0.166365      0.059281
     10.06094      8.47154      6.99609        -0.026707      0.247501     -0.147769
     10.12491      9.80512      7.43021         0.084191      0.008643     -0.141331
     10.21515     10.81153      6.46541        -0.072422     -0.040273     -0.074648
     10.27988     12.29553      6.57555         0.062857      0.587786      0.630748
     10.26042     11.72940      4.30974         0.195908     -0.115786      0.240503
     10.69280     14.17470      4.85746         0.155342      0.051922      0.151274
     11.23398     14.49932      3.60904         0.048511      0.087987     -0.003577
     11.60788     15.80984      3.31252         0.029543      0.147417      0.015217
     10.56003     15.25471      5.74989        -0.023164     -0.066517      0.035038
     10.94629     16.57805      5.44318         0.160423     -0.154539      0.124471
     11.53253     16.93453      4.16058        -0.074164      0.000821      0.322277
     12.05261     18.30741      3.70854         0.092139      0.073827     -0.274420
     12.66556     18.69919      2.44675        -0.119910     -0.035843      0.102670
     12.98338     20.04494      2.18538        -0.102795      0.144758     -0.181338
     11.94200     19.41561      4.57553        -0.088236     -0.148617      0.059070
     12.21380     20.75287      4.30905         0.104298      0.040333     -0.094856
     12.72026     21.11733      3.05988        -0.080816     -0.178392     -0.085739
     13.13105     17.80970      1.28402         0.267055      0.079975     -0.071020
     10.77402     17.48726      6.65746         0.047468      0.094934     -0.142752
     10.58335      7.06387     14.77598        -0.015433      0.414828      0.110985
     10.49733      7.49120     16.10254         0.047801      0.158787     -0.161512
     10.50461      8.85520     16.44951         0.122847     -0.203635     -0.195926
     10.58507      8.00641     13.74529         0.014028      0.032565      0.161208
     10.52676      9.36438     14.08117        -0.019107     -0.050423      0.120579
     10.53606      9.84113     15.42413         0.065425      0.278601     -0.070936
     10.59155      5.58362     14.74345         0.126270     -0.875569     -0.911421
     10.33691      6.26425     16.94300        -0.156162     -0.090515      1.653780
     10.59008     11.34867     15.67950         0.083013     -0.192360     -0.078077
     10.66474     11.95134     16.96582        -0.017089      0.156881     -0.065254
     10.74715     13.34943     17.08052         0.066426     -0.089371     -0.069386
     10.62457     12.23893     14.57300         0.073619      0.042197      0.099642
     10.75454     13.62994     14.68517        -0.066696     -0.122831      0.017965
     10.80558     14.18796     15.96304         0.104613     -0.236187      0.049454
     10.93440     15.60214     16.41639        -0.070317      0.387026     -0.018281
     10.79037     14.21736     18.30686        -0.063268     -0.060859     -0.011411
     10.76777     16.74186     18.70936         0.061208      0.082335     -0.136947
     10.06222     16.72375     19.90517         0.078335      0.135528      0.086652
      9.90427     17.89191     20.65319         0.001242      0.096240      0.013298
     11.33179     17.98395     18.37240         0.065487      0.005886     -0.154671
     11.19630     19.15893     19.14756        -0.042670     -0.042841      0.088389
     10.42050     19.17757     20.38811        -0.032126     -0.187612     -0.297810
     10.09276     20.34046      0.10042         0.155568      0.103907     -0.021896
      9.39115     20.30076      1.36755         0.001751      0.019232      0.379060
      9.20115      0.19837      2.17108         0.040629     -0.196016     -0.056040
     10.50161      0.40123     21.05942        -0.063233      0.017437     -0.070263
     10.32087      1.54624      0.58693         0.108655      0.016339     -0.073361
      9.68905      1.47079      1.82936        -0.133831     -0.056495      0.155510
      8.75072     19.07359      2.00738        -0.265758      0.018406      0.043863
     12.00283     20.30258     18.53629         0.174781      0.044639     -0.120415
      7.31426      7.65383     17.33859        -0.117540      0.105062      0.019126
      7.14176      8.57656     16.30651        -0.126693     -0.007235      0.125677
      7.07725      9.95684     16.57552         0.087701     -0.129811      0.080557
      7.54116      8.07732     18.64361         0.061056      0.075480     -0.012703
      7.56646      9.45304     18.89945        -0.045637     -0.127322     -0.177344
      7.29573     10.43684     17.90602         0.042327      0.032266     -0.041163
      7.10894      6.28097     16.81583         0.129341     -0.402689      0.184315
      7.01703      7.78016     15.02411         0.225432      0.232828     -0.009795
      7.26151     11.90497     18.31861         0.004485     -0.104828      0.032128
      7.13780     12.99608     17.41278         0.040322      0.224022      0.069452
      7.16383     14.32290     17.88896        -0.097715     -0.270932      0.038622
      7.38312     12.24624     19.69585        -0.034229      0.255224     -0.161364
      7.37145     13.56425     20.17237         0.018354      0.032924     -0.137604
      7.25177     14.61160     19.25364        -0.072568     -0.077644     -0.139273
      7.19076     16.09390     19.43565         0.005097      0.521942      0.602809
      7.13631     15.63310     17.14985         0.060910     -0.148032     -0.392622
      7.50585     18.06991     17.81434         0.140998      0.027495      0.099325
      8.33554     18.41465     16.74523         0.024430      0.226198     -0.085819
      8.71517     19.74562     16.53517        -0.101391      0.051268      0.156678
      7.05505     19.14699     18.59539         0.008906     -0.092582     -0.162186
      7.42399     20.49564     18.36610         0.188433     -0.036326     -0.052188
      8.33808     20.87440     17.29540         0.019108     -0.025095      0.237208
      8.93563      1.00601     16.93597         0.025701      0.084376     -0.293770
      9.68066      1.38430     15.73626         0.205872     -0.317157     -0.182027
     10.13764      2.70882     15.54520        -0.286924     -0.247484      0.142569
      8.76180      2.11519     17.79952         0.179076      0.035053     -0.165651
      9.22117      3.43239     17.60964        -0.197314     -0.076057      0.020616
      9.90046      3.77028     16.43067         0.120962     -0.021163      0.210733
     10.19530      0.49902     14.53671        -0.167145      0.603321      0.253597
      6.72707      0.16696     19.34901         0.019837      0.086276      0.019111
      6.91171     10.82303      6.21959        -0.031865      0.053538      0.094934
      6.85698     11.26989      7.53723        -0.000841      0.120364     -0.035658
      6.89406     12.64447      7.86280         0.033614     -0.247823     -0.088278
      7.03731     11.75786      5.18469        -0.040074     -0.034946      0.112722
      7.09322     13.12268      5.50835        -0.073530     -0.138091      0.208346
      7.01773     13.62988      6.84012         0.018594      0.088253     -0.090284
      6.90579      9.32111      6.21920        -0.041766      0.108853      0.018457
      6.84555     10.04432      8.42255         0.001451      0.331088      0.049979
      7.11182     15.14294      7.08248        -0.044116     -0.014468     -0.088432
      7.13547     15.75923      8.37087         0.032872      0.162323     -0.090403
      7.24800     17.16228      8.48924         0.011658     -0.014728     -0.128342
      7.22904     16.03491      5.96967        -0.135994      0.016144      0.269725
      7.31867     17.42762      6.09783        -0.086608     -0.155275     -0.009651
      7.29788     17.99165      7.36910        -0.041449     -0.116403      0.020535
      7.42282     19.42309      7.79132         0.050213     -0.234781      0.102802
      7.46371     18.04755      9.69209         0.075258     -0.279451     -0.045749
      7.68833     20.57333     10.05233         0.014436     -0.164438     -0.072998
      7.21772     20.54504     11.36130         0.054383      0.067079      0.005060
      7.21875      0.44334     12.13361        -0.093391     -0.153008      0.044964
      8.31522      0.51273      9.64843         0.046206     -0.112887      0.124717
      8.43111      1.64291     10.49529        -0.097471     -0.139136      0.195663
      7.75888      1.68990     11.79987         0.164386      0.045712     -0.158492
      7.53938      2.84254     12.80016         0.200514      0.336416     -0.118212
      6.91459      2.82025     14.10536        -0.216711      0.049781      0.722054
      6.72193      4.00690     14.86218        -0.000447     -0.306170      0.001604
      7.93784      4.16114     12.45184        -0.026911     -0.283395     -0.161699
      7.82277      5.31821     13.22579        -0.124306     -0.007160      0.170461
      7.19269      5.26391     14.48108         0.079003      0.197813     -0.195905
      6.31102      1.63313     14.88966        -0.154928      0.347251      0.147965
      9.42632      2.66160      9.95312         0.039432      0.251216      0.221353
      4.29156     11.53763     10.45743        -0.093420      0.064737     -0.175870
      4.05267     12.40356      9.39189        -0.020293     -0.096640      0.017546
      4.18348     13.79076      9.53230        -0.034797     -0.133504     -0.000344
      4.69989     12.04820     11.69049        -0.041641     -0.040817     -0.086912
      4.73161     13.43741     11.85949         0.005398     -0.030125     -0.205323
      4.47743     14.35390     10.80040        -0.055465     -0.058012      0.027026
      3.87289     10.15949     10.06879        -0.027003     -0.161773     -0.028754
      3.55487     11.58284      8.23095         0.054102      0.177809     -0.121000
      4.46850     15.84364     11.05111         0.044940     -0.043506      0.083266
      4.06835     16.79165     10.06696         0.003601      0.119690     -0.145201
      4.09637     18.16569     10.35553        -0.034925     -0.170418      0.133498
      4.86933     16.34952     12.31848        -0.143500      0.117537     -0.150011
      4.79635     17.70663     12.63763        -0.005523     -0.008670     -0.025476
      4.39926     18.59567     11.64463        -0.039867      0.061314     -0.019790
      4.26994     20.06568     11.70486         0.060635      0.254053      0.245441
      3.91569     19.40109      9.50353        -0.058973     -0.254496     -0.440407
      4.35845      0.63155      9.98439        -0.044196     -0.088097      0.261011
      4.87295      0.99233      8.74469         0.152147      0.212504      0.105170
      5.41120      2.26691      8.57695        -0.095583     -0.099510     -0.063779
      4.23617      1.68937     10.89117         0.048874      0.067562      0.009090
      4.72902      3.00534     10.67750         0.023702     -0.092796     -0.046926
      5.46392      3.35908      9.47530        -0.219435     -0.077078      0.074662
      6.07539      4.71161      8.98909         0.143660      0.170903     -0.108368
      6.56066      5.03288      7.65843        -0.073264     -0.018235      0.003841
      6.84160      6.35438      7.22736        -0.033112      0.171557     -0.013915
      6.09678      5.87545      9.79177        -0.059704     -0.197658     -0.011376
      6.31012      7.19266      9.36203        -0.063283      0.103831      0.286974
      6.65328      7.49937      8.04121        -0.010915     -0.187888     -0.099376
      6.74358      4.00745      6.55142         0.114506      0.045957      0.097338
      4.15576      3.80930     11.83587         0.118158      0.326542     -0.376366
      0.81965     14.10104      1.02031         0.004065      0.061230      0.058657
      1.51053     14.54785      2.14536        -0.129246     -0.172782     -0.277825
      1.53160     15.93556      2.44181         0.202682     -0.029242     -0.005084
      0.30184     14.98046      0.08597        -0.018425      0.281037      0.038200
      0.43574     16.34935      0.32281        -0.001693     -0.079567      0.184042
      0.97872     16.89525      1.52113        -0.064887     -0.040231     -0.029888
      0.76540     12.62781      0.97714         0.634423      0.294323      0.349020
      2.15249     13.28096      2.73911         0.060615      0.063823      0.263136
      0.93016     18.43501      1.67626        -0.002987     -0.362421     -0.026507
      1.33834     19.17649      2.82311        -0.088747      0.183057     -0.024377
      1.23357     20.58494      2.82243        -0.087241     -0.063432     -0.044102
      0.42100     19.20479      0.58642         0.015243      0.102123      0.148294
      0.24986     20.59307      0.62073         0.026981     -0.150972      0.112702
      0.65641      0.02086      1.76075        -0.045172     -0.064659     -0.087634
      0.57706      1.47581      2.07341         0.173833      0.007099      0.204654
      1.68104      0.35677      3.82431        -0.021402      0.008816     -0.046127
      1.32849      2.90992      4.04977         0.070722     -0.007251      0.177031
      1.96653      3.00257      5.29548         0.060285     -0.122526     -0.306428
      2.10191      4.22957      5.93138         0.161000     -0.213960      0.199636
      0.76157      4.12074      3.59924        -0.074055     -0.166627     -0.100928
      0.84754      5.32863      4.32718        -0.112580      0.180680     -0.038201
      1.60682      5.48179      5.54057         0.063696     -0.077497      0.069790
      1.97505      6.71140      6.40816         0.049844     -0.034811      0.026929
      2.44884      6.69025      7.77610        -0.073373      0.111937     -0.144094
      2.86429      7.84740      8.45196         0.068021      0.154176     -0.033783
      1.99914      8.03296      5.89094         0.152355     -0.272822      0.193279
      2.47099      9.18451      6.54721         0.017372      0.198716      0.009080
      2.92878      9.12608      7.88178         0.082818     -0.151036      0.073351
      2.71385      5.48188      8.64159        -0.143306     -0.230504     -0.094721
      0.02845      6.42283      3.69754        -0.208829      0.072245      0.430976
      4.59001     14.09118      0.65023        -0.034943      0.088145     -0.106762
      4.01350     15.00288     -0.23894         0.055016      0.078946      0.074497
      4.06228     16.39762     -0.01873         0.052067     -0.095242      0.174174
      5.23164     14.56652      1.78700        -0.069878      0.426828      0.120352
      5.22094     15.94924      2.04726        -0.130875      0.012672     -0.225597
      4.63801     16.93008      1.18455        -0.047673      0.229470      0.091858
      4.38520     12.69571      0.15136        -0.022204     -0.020735      0.039077
      3.39142     14.18136     19.91677        -0.438289      0.304751     -0.464215
      4.66871     18.43468      1.62739        -0.026539     -0.079306     -0.021163
      4.15770     19.57617      0.91464         0.127100      0.044788      0.188649
      4.30532     20.89546      1.43850         0.097954     -0.127807      0.062282
      5.26784     18.74067      2.88440        -0.155972      0.154409     -0.126879
      5.44425     20.04208      3.38291        -0.036920     -0.283961     -0.061663
      4.98452     21.12503      2.63517        -0.047280      0.061712     -0.040006
      5.10914      1.34779      2.88275        -0.159585     -0.027160     -0.139759
      3.85063      1.00538      0.94235         0.038144     -0.220890     -0.099163
      4.04876      3.47104      1.81126         0.007875     -0.065219     -0.175080
      3.16953      4.04553      0.87001         0.021089     -0.009200     -0.076541
      2.94830      5.43078      0.79097        -0.007306     -0.124749     -0.140533
      4.61191      4.42294      2.68714         0.011501      0.080614      0.228386
      4.26367      5.80429      2.68979        -0.106833     -0.037083     -0.008847
      3.43043      6.41758      1.68837        -0.063883     -0.155684      0.069398
      3.00605      7.90332      1.61025        -0.475521     -0.073283     -0.192275
      1.77753      8.45316      1.06166        -0.053772      0.048211      0.069083
      1.44422      9.81328      1.20034        -0.276785     -0.416344     -0.216392
      3.78188      8.90959      2.21556         0.292792      0.258378     -0.034842
      3.41685     10.25671      2.44428        -0.003833     -0.380913      0.066288
      2.21648     10.74890      1.90192         0.051737      0.306810      0.189640
      0.75118      7.70061      0.20404         0.149074     -0.327558      0.072470
      4.89926      6.51000      3.87848        -0.040670     -0.387520     -0.018783
     18.01766     17.33164     13.82609         0.106686      0.216218      0.084529
     19.00985     17.80017     14.69062        -0.043347      0.088678      0.044869
     19.24773     19.17376     14.87210        -0.105209     -0.195745     -0.011112
     17.32379     18.24291     13.01946         0.107384     -0.113980      0.098937
     17.63738     19.60610     13.12471        -0.091642     -0.192939      0.184363
     18.52969     20.12973     14.10082         0.025795     -0.141800     -0.098087
     17.98110     15.83942     13.90962        -0.377978     -0.438236     -0.337927
     19.71773     16.60506     15.27831        -0.150619      0.256729     -0.226061
     18.66582      0.36137     14.29131        -0.040430      0.086684      0.051041
     19.56521      0.94184     15.22872        -0.123790      0.325460      0.031758
     19.56831      2.33673     15.42082        -0.110521     -0.135996     -0.052580
     17.81883      1.25616     13.57689         0.110264      0.068592      0.183881
     17.82880      2.64291     13.77075         0.026240      0.092326      0.049549
     18.71609      3.18216     14.70401         0.056876     -0.198797      0.119913
     18.93226      4.58867     15.15639        -0.188485      0.582168     -0.108741
     20.35425      3.19040     16.38080        -0.243620     -0.197179     -0.180244
     20.55173      5.69344     16.79342         0.142567      0.290368      0.092968
      0.62675      5.69082     17.22085        -0.286888     -0.216842     -0.092569
      1.22423      6.84347     17.70386         0.146660      0.555263      0.182420
     19.86514      6.89758     17.02233        -0.031716     -0.096570     -0.011355
     20.46918      8.05262     17.58111         0.127320      0.032096      0.207736
      0.62806      8.10960     17.90684         0.097337     -0.058871     -0.133505
      1.51677      9.29254     18.45009         0.160890     -0.449636      0.215389
      2.89096      9.28481     18.95225        -0.263001     -0.220097      0.157880
      3.50047     10.46499     19.46001         0.408431     -0.601728      0.103712
      0.97357     10.58475     18.54311        -0.398100      0.374719     -0.292726
      1.56380     11.73470     19.07647        -0.082677      0.336048      0.269083
      2.86099     11.68318     19.60468        -0.296551      0.468472     -0.118204
      3.96755      8.18644     18.95788         0.412930      0.026054      0.085469
     19.44019      9.12556     17.90500        -0.225421      0.040048     -0.130966
      1.82390     18.27729     14.13389        -0.071914      0.336694     -0.090553
      1.12790     19.18979     13.34256        -0.235535      0.082743     -0.124906
      1.18003     20.56803     13.58178        -0.030037     -0.100832      0.005362
      2.61946     18.74399     15.17728        -0.096310     -0.057745      0.093519
      2.63655     20.11675     15.44804         0.117337     -0.145793     -0.190947
      1.92868     21.07439     14.67683         0.098981     -0.114491      0.080018
      1.53372     16.90351     13.67004        -0.065125     -0.487975      0.245284
      0.36049     18.40743     12.30619        -0.097918      0.228553     -0.133536
      2.07032      1.27979     14.98464         0.006087      0.065601      0.106521
      1.55178      2.28480     14.13218         0.148370      0.139683      0.034868
      1.83830      3.63077     14.39071        -0.135551     -0.379571      0.045908
      2.77123      1.72311     16.14464        -0.075522      0.048331     -0.251787
      3.13113      3.06074     16.34689         0.013467      0.159252     -0.112073
      2.70451      4.01677     15.41427        -0.164028     -0.232024     -0.035705
      2.94331      5.48292     15.27779         0.366604      0.405779      0.279810
      1.31034      4.85396     13.72497         0.372758     -0.053099      0.363780
      1.49961      7.31865     14.22883         0.078519      0.112777      0.246922
      0.17714      7.62066     13.88907         0.112120      0.182771      0.056870
     20.96339      8.91732     14.04420        -0.117500      0.156934      0.107392
      2.27944      8.42120     14.61969         0.200196      0.104016      0.087482
      1.78742      9.74432     14.74518         0.084566     -0.191821      0.061403
      0.39666     10.06399     14.48073         0.136440     -0.127019      0.102005
     20.88819     11.38708     14.59735        -0.268772      0.089382     -0.024969
     19.49277     11.65207     14.26242         0.016292      0.192774     -0.070144
     18.94170     12.95056     14.36923        -0.116478      0.034778     -0.097300
      0.26745     12.56238     15.05343         0.172592     -0.204511     -0.111582
     -0.26111     13.85247     15.10571         0.006243     -0.115284      0.194305
     19.67087     14.09673     14.75117        -0.169818     -0.162827     -0.194891
     18.42174     10.65633     13.79802        -0.230625     -0.029220      0.069774
      2.89410     10.70222     15.16862        -0.062337      0.052876     -0.046648
     16.32456      0.41068      5.24074         0.007318      0.064906      0.102939
     16.93561      0.79195      6.43530        -0.099559      0.143156     -0.050540
     16.87428      2.12537      6.89620        -0.089496     -0.152807     -0.068776
     15.65273      1.33969      4.46819         0.061059      0.124246      0.044863
     15.64037      2.66978      4.89188         0.015239     -0.039292      0.118988
     16.22531      3.12214      6.10586        -0.018602      0.103016     -0.061743
     16.61156     20.24751      4.94217         0.004805     -0.185721     -0.211916
     17.66160     20.83810      6.95024         0.097168      0.004011      0.277315
     16.19304      4.62221      6.41179        -0.009912     -0.030370     -0.101364
     16.79779      5.26018      7.53590        -0.163452      0.142969     -0.092428
     16.78014      6.66828      7.63158        -0.051477     -0.056300     -0.106704
     15.57084      5.49438      5.46634         0.157781      0.021534      0.141778
     15.62376      6.88986      5.53667         0.085328     -0.116101      0.007478
     16.25231      7.47916      6.62744        -0.034813     -0.163987     -0.007348
     16.52975      8.91408      6.92253        -0.064288     -0.144437      0.291867
     17.34055      7.58310      8.67920         0.001469     -0.148214      0.149872
     17.68622     10.10718      8.86200        -0.014141      0.056602      0.076953
     18.71814     10.00716      9.79127        -0.066046     -0.196979     -0.040814
     19.29149     11.13962     10.35054         0.092186      0.143651      0.186604
     17.21827     11.41486      8.63080        -0.108172     -0.203943     -0.097446
     17.82103     12.55483      9.20380         0.201090     -0.015549      0.029102
     18.95737     12.47458     10.09202        -0.078487      0.039769     -0.006227
     19.76971     13.60057     10.75998        -0.210889     -0.035812      0.141408
     21.07594     13.51786     11.36635         0.257334      0.099193      0.161219
      0.44188     14.66096     11.92284         0.095856     -0.169981      0.076919
     19.21303     14.89648     10.89616        -0.040492     -0.117538     -0.082871
     19.83600     16.02530     11.42822         0.034203      0.112367      0.014248
     21.12713     15.93143     11.95951         0.118447     -0.110741      0.192959
      0.82622     12.36034     11.39185         0.031343      0.243137     -0.039701
     17.08965     13.81383      8.83327        -0.019229      0.228646     -0.149839
     20.27362      1.46410      6.21299        -0.046443      0.061162      0.042615
     19.66780      2.49072      5.48023         0.146316     -0.213176     -0.017771
     19.61159      3.78327      5.96110         0.001029      0.172621      0.019596
     20.79606      1.72789      7.47594        -0.010872     -0.082908     -0.086447
     20.66855      3.02228      7.99412        -0.066091     -0.103173     -0.050285
     20.09615      4.08925      7.25445         0.037679     -0.099764      0.098798
     20.23960      0.21636      5.39710         0.091372      0.039444      0.052848
     19.20855      1.93150      4.16700         0.011137      0.209706      0.175360
     20.12502      5.50438      7.72904        -0.008030      0.211910      0.068040
     19.70175      6.54118      6.86854        -0.156962      0.051457     -0.031563
     20.02122      7.86429      7.15672        -0.113220      0.083823     -0.089730
     -0.62014      5.90098      8.99317        -0.074519     -0.034941     -0.168413
     -0.30820      7.23019      9.29207        -0.050991      0.075417     -0.134989
     20.71175      8.19884      8.30961         0.119950      0.212914      0.101416
     -0.19087      9.65236      8.24541        -1.708384     -1.568912     -1.840378
     19.74079      9.11594      6.36661         1.025482     -0.258332      1.603854
     20.32440     11.58046      6.69520         0.100292     -0.066934      0.130841
     19.39219     12.01949      5.74367         0.037643     -0.009705      0.021489
     19.19145     13.37856      5.53020        -0.108487     -0.188389     -0.104797
     21.12342     12.59823      7.27554         0.127158     -0.115376      0.061798
     20.95033     13.97390      6.99824        -0.175494     -0.289895     -0.038920
     19.89340     14.43534      6.13051         0.073586      0.139054      0.114239
     19.40802     15.85441      5.90053        -0.073039      0.071475     -0.012733
     18.64849     16.36321      4.78533         0.028231      0.014061     -0.080870
     18.10838     17.66078      4.79403        -0.019087      0.094177     -0.025202
     19.56405     16.81306      6.92704         0.045374     -0.122002      0.103536
     19.00789     18.08552      6.95958        -0.038646      0.047104     -0.011006
     18.21347     18.53284      5.89883        -0.038481     -0.004742      0.052813
     18.25849     15.57141      3.54086         0.058677     -0.094023     -0.052362
      0.72355     14.87321      7.64682        -0.096088      0.089197     -0.114425
     12.73891      5.23045      4.00923        -0.063835      0.071579      0.071279
     13.33523      3.76901     20.51541         0.024458     -0.092599     -0.057196
     13.06425      6.12532     21.02572         0.068406      0.062728     -0.008242
     12.94977      7.32342      4.40046        -0.061769     -0.078402      0.080108
     13.23490      7.97124      0.11228        -0.022877     -0.013318      0.013666
     13.60962     10.34834      0.46345         0.017812      0.046007      0.094251
     13.40396     13.32067      8.79932        -0.063160     -0.116218     -0.012965
     13.22708     11.47704      7.33256         0.057357     -0.253452      0.045203
     14.31883     14.02881      4.05411         0.025929     -0.112706      0.257825
     12.83278     17.15259     11.48899        -0.112248     -0.039823     -0.193376
     15.30257     17.12530      7.28560         0.069464     -0.059496      0.076080
     15.25145     19.12508      8.53684        -0.028379     -0.089762      0.156239
      9.57835      6.83854      3.08301         0.021573     -0.003507      0.068984
     10.17261      3.55132      6.82859         0.073376      0.071701     -0.047483
     10.35524      5.94451      7.28911         0.017320      0.028176     -0.119242
      9.98220      8.96007      3.60902         0.068441     -0.064275     -0.082623
      9.98106      7.71483      7.77311         0.016260     -0.059970     -0.001511
     10.09660     10.02556      8.50206         0.049746      0.072656     -0.133464
     12.00868     15.93855      2.32481         0.117677     -0.070803     -0.062177
     11.43729     13.74481      2.85742        -0.112152     -0.094663     -0.070059
     10.19859     15.05269      6.75653         0.006442     -0.027306     -0.176011
     13.41215     20.27491      1.21603         0.029175      0.029110      0.098140
     11.60476     19.26170      5.57837        -0.116139      0.037138      0.040345
     12.00182      0.22686      5.08051         0.019045      0.052413      0.023327
     10.47184      9.12855     17.50205        -0.028501      0.055906      0.109431
     10.59339      7.71437     12.69512         0.036715     -0.103624     -0.001515
     10.44608     10.06660     13.24632         0.124277     -0.114986      0.165403
     10.65935     11.35686     17.87643        -0.024601     -0.110785      0.110223
     10.57682     11.83812     13.56300         0.010766      0.048994     -0.027167
     10.81078     14.22691     13.77257        -0.005364      0.124714      0.114136
      9.32106     17.73374      0.27648        -0.192276     -0.010659     -0.015507
      9.60765     15.81732     20.28985         0.074548     -0.100074      0.007154
     11.88401     18.05354     17.43606        -0.033231     -0.003452      0.165432
      8.68305      0.09626      3.12308         0.068062     -0.056558     -0.120616
     10.98889      0.58441     20.11812         0.131516      0.050060     -0.001585
     10.72003      2.49470      0.22593        -0.134958     -0.041580     -0.068809
      6.82370     10.63130     15.75838         0.089334      0.120445     -0.027903
      7.68315      7.35944     19.45650         0.009529      0.051185     -0.113449
      7.76295      9.73899     19.93241         0.007654      0.076996     -0.076288
      7.03533     12.82722     16.34222         0.040730     -0.026463     -0.117212
      7.47335     11.47254     20.45384        -0.006584     -0.051752     -0.021397
      7.47327     13.73997     -0.01269        -0.023540      0.087073     -0.114279
      9.34512     19.89937     15.68039         0.277883     -0.153246      0.039234
      8.72396     17.67010     16.05537         0.020144     -0.070357      0.005057
      6.38127     18.94547     19.42080         0.064643     -0.086523      0.026952
     10.63525      2.93818     14.61908         0.215999      0.037596     -0.193266
      8.20394      1.97865     18.70899         0.003444      0.003345      0.133432
      8.95590      4.18039     18.36480         0.190666     -0.193100     -0.187631
      6.81396     12.91801      8.91113         0.149313      0.118460      0.129588
      7.13278     11.45436      4.13740        -0.080501     -0.065174      0.111758
      7.22783     13.80591      4.67010        -0.027582      0.022340      0.053682
      7.07194     15.16843      9.28446         0.097051     -0.093838      0.017153
      7.26219     15.65447      4.94857         0.026089     -0.111213      0.083711
      7.48590     18.05193      5.21858        -0.138812     -0.022342      0.001881
      6.76259      0.32384     13.09673        -0.165649     -0.062137     -0.094618
      6.83446     19.62410     11.79428         0.018915      0.052458     -0.018415
      8.76978      0.55711      8.65769        -0.042732      0.005473      0.146146
      6.20604      3.95292     15.82216         0.159460     -0.132818     -0.246694
      8.37882      4.29790     11.47686         0.143206      0.118224     -0.080751
      8.25878      6.23992     12.84407        -0.168957      0.055846     -0.036191
      3.98755     14.41976      8.67098         0.033372      0.100222     -0.111597
      4.92256     11.38998     12.53154        -0.084550      0.000176     -0.085472
      4.88566     13.80136     12.87392         0.160266      0.052315     -0.014083
      3.73082     16.46569      9.08350         0.067331     -0.016428     -0.089326
      5.23496     15.68534     13.09765         0.019778     -0.101692     -0.015182
      5.07267     18.06936     13.63136         0.007096     -0.072255     -0.083589
      5.77846      2.38245      7.58906         0.215810     -0.079815     -0.088153
      4.88809      0.30991      7.90448         0.107484     -0.176995     -0.119536
      3.71851      1.49851     11.82802         0.116211     -0.034941     -0.081403
      7.17444      6.48967      6.19983        -0.088570     -0.004443      0.150540
      5.86623      5.78212     10.83652        -0.085454     -0.011965      0.225659
      6.14763      7.98763     10.08790         0.144544     -0.064310      0.061572
      2.01709     16.25644      3.36399         0.017233      0.120619      0.050743
     -0.15446     14.61680     20.42428        -0.098056      0.005742      0.017880
      0.09270     17.00087     20.78387        -0.112372      0.015770      0.039037
      1.69878     18.69356      3.72998         0.138386     -0.134327      0.009672
      0.12296     18.72486     20.91563        -0.010221     -0.029071      0.070419
     -0.18881     -0.14376     21.02966         0.025633      0.056287     -0.031538
      2.67564      4.16801      6.82586         0.144121     -0.143412      0.030331
      2.38708      2.12117      5.77326         0.065574      0.025314     -0.038352
      0.17659      4.10880      2.67627         0.129780      0.062286      0.207122
      3.16425      7.75774      9.48906         0.040490     -0.004067     -0.062786
      1.71412      8.17099      4.86074        -0.134420      0.124576     -0.298608
      2.47468     10.12005      5.98690         0.029511     -0.016554      0.083961
      3.65106     17.03782     20.46128        -0.128536      0.200460      0.045389
      5.69797     13.89583      2.50759        -0.003992     -0.101615     -0.006231
      5.69298     16.25054      2.98336        -0.041632      0.020518     -0.127340
      3.66566     19.45270     -0.04984        -0.060757     -0.009812     -0.056742
      5.65933     17.93285      3.50735        -0.093930      0.190749     -0.065827
      5.95554     20.16274      4.33810        -0.025027      0.198635      0.035096
      2.36035      5.73709     -0.06609        -0.031619     -0.103744      0.201882
      2.62376      3.41486      0.17565         0.087550     -0.052561     -0.185904
      5.31111      4.11497      3.46202        -0.115945     -0.207558     -0.078470
      0.53158     10.17842      0.71932         0.269832     -0.294037      0.231130
      4.78971      8.63396      2.51540        -0.011999      0.143436      0.143016
      4.08879     10.84809      3.06939        -0.076852      0.186031     -0.296566
     19.99150     19.48411     15.60526         0.038598      0.008367      0.048076
     16.57679     17.91120     12.29147         0.081936     -0.026776      0.061031
     17.14899     20.26875     12.41078        -0.043138      0.057708      0.102199
     20.24220      0.32072     15.81704         0.000327      0.039461      0.027861
     17.09179      0.87128     12.86434         0.002665     -0.065517     -0.003841
     17.13234      3.28563     13.22306         0.100456     -0.055348      0.022011
      2.24621      6.71835     18.01419        -0.045394      0.001597     -0.315457
      1.22670      4.78669     17.18811        -0.103908     -0.057868      0.032292
     18.80266      6.93474     16.78094         0.170511      0.075564      0.021592
      4.53619     10.41872     19.80611        -0.262130     -0.178744     -0.072231
     -0.00789     10.75723     18.12471        -0.078643     -0.016450      0.081309
      0.96742     12.65849     19.11059         0.235225     -0.307936     -0.101124
      0.64550     21.23607     12.91279        -0.152941      0.095808     -0.088736
      3.22236     18.05443     15.77225        -0.078933      0.003960      0.038957
      3.29627     20.44180     16.24778        -0.000663      0.102572      0.093849
      0.98169      2.03153     13.23877        -0.119015      0.015663      0.015159
      3.08401      1.00664     16.90683        -0.009065      0.047051     -0.090789
      3.71056      3.33666     17.23453        -0.006604      0.005830     -0.173845
     19.92527      9.01587     13.81334        -0.094878     -0.165735      0.050989
     20.72531      6.88806     13.53363        -0.024501     -0.290999      0.006923
      3.32646      8.24424     14.87366        -0.259919     -0.002744     -0.080920
     17.89589     13.06434     14.08965         0.153686      0.114143      0.064005
      1.29376     12.49788     15.37436         0.079811      0.065509     -0.049050
      0.40369     14.64709     15.41517         0.059691      0.154017      0.103580
     17.37019      2.38734      7.83097         0.024721      0.007954      0.060833
     15.18234      1.04219      3.53346         0.107917      0.016172     -0.029079
     15.16406      3.37388      4.21452         0.046766      0.031839      0.084018
     17.33051      4.70123      8.30867        -0.149494     -0.074796     -0.001058
     15.04064      5.08775      4.60722         0.109163     -0.038210      0.032545
     15.19435      7.49224      4.73594         0.067040     -0.002354      0.063722
     20.06697     10.92913     11.05922        -0.040588      0.051368     -0.035894
     19.11604      9.03285     10.06599        -0.168325      0.122843      0.151253
     16.35757     11.55926      7.97778         0.188537     -0.020679      0.024335
      1.42069     14.54319     12.38793        -0.210364      0.027258     -0.176920
     18.20150     15.06525     10.56044        -0.078350     -0.025375      0.161671
     19.27974     16.96099     11.43892         0.092147      0.017015     -0.045590
     19.23914      4.56361      5.30881        -0.218398      0.068460     -0.125110
      0.07508      0.94709      8.01933        -0.151458      0.042122      0.102548
     -0.17250      3.19663      8.98043        -0.016154      0.114276      0.119100
     19.14274      6.32845      5.96018         0.098309      0.013647      0.031634
     -0.41019      5.15100      9.75104        -0.017331     -0.037922      0.075495
      0.11360      7.48171     10.26877         0.042738      0.037568     -0.103688
     18.38021     13.60551      4.86100        -0.140096     -0.005569     -0.020591
     18.80163     11.31239      5.16990        -0.114609     -0.020186      0.113529
      0.66876     12.30065      7.95197        -0.248141      0.133070     -0.185301
     17.51641     17.97395      3.93654         0.076597     -0.062268      0.093690
     20.10151     16.53291      7.81957         0.007777     -0.022855      0.042016
     19.19086     18.72360      7.81889        -0.028803     -0.025037      0.081198
     13.91262     19.24756     10.69904         0.014528     -0.304252     -0.062744
     19.42934     21.19137      3.41915         0.035636      0.273203      0.385650
     12.91664      1.22777      2.66821         0.094332      0.079178      0.027627
     13.64913     11.47176      4.60675         0.015840     -0.179316      0.117526
      9.60686      2.58532      2.74455        -0.061149      0.092169     -0.064947
     10.41802     12.81334      5.23557        -0.140849     -0.074275     -0.047299
     10.28514      5.12412     16.07957         0.105121      0.147444     -0.326075
     10.85590     15.58203     17.85367         0.080135     -0.063791     -0.047556
      7.08271      6.38484     15.38226        -0.008826      0.105594      0.021736
      7.22614     16.68160     18.12476        -0.061164     -0.127234     -0.008616
      6.76357      8.87932      7.57836         0.073521      0.000592      0.054666
      7.54371     19.40569      9.21272         0.094505      0.120482      0.131141
      3.44330     10.21955      8.68019         0.029577      0.151093     -0.252197
      4.06881     20.53707     10.36613         0.054807     -0.081939      0.215500
      1.78106     12.13969      1.87933        -0.313074      0.393269      0.213239
      1.20609      1.65453      3.35201         0.053305     -0.091580     -0.002923
      3.49876     12.79269     20.29261         0.052459      0.200130     -0.235305
      4.31262      2.02192      1.87704         0.116305     -0.022431      0.098407
     19.13116     15.43403     14.67323         0.055742      0.056729      0.303253
     19.94732      4.54855     16.16733         0.055345     -0.106084     -0.022853
      0.55686     17.01539     12.61556        -0.025590      0.218347     -0.174336
      1.97981      5.96962     14.31828        -0.055528      0.077907      0.078961
     17.53420     19.79914      5.94048        -0.041142      0.019106     -0.061718
     17.18403      8.93606      8.19736        -0.146381     -0.015113      0.083531
     19.58187      0.57997      4.20444        -0.105204     -0.250291     -0.280466
     20.42480     10.18586      7.05541         0.011986      0.291202     -0.142100
     12.43651      2.38615      4.68716         0.154272     -0.161336      0.134976
     13.70433      0.94590      0.44911        -0.129275      0.427545      0.320871
     13.21872      9.67983      6.10833         0.085426     -0.005734      0.016428
     14.01355     12.56900      2.52916        -0.062821     -0.412612      0.173033
      9.48782      4.42821      1.25881        -0.019735      0.001595     -0.261313
      9.50299      1.43593      4.81650         0.061186     -0.143160      0.015112
     10.21015     11.82259      3.09514        -0.070794      0.111964     -0.327489
     10.20659     12.97948      7.59664         0.017445     -0.532204     -0.738831
     10.24253      6.22973     18.17886         0.141966     -0.083980     -1.110350
     10.83010      4.87742     13.75582        -0.206579      0.616065      0.998572
     10.75836     13.85691     19.47247         0.030509      0.043483     -0.007072
     11.06185     16.60937     15.72842        -0.065007     -0.354859      0.216276
      6.94094      8.21314     13.88623        -0.070508     -0.114324     -0.017022
      6.97841      5.25468     17.47786         0.037084      0.466057     -0.398241
      7.07227     15.79494     15.93781        -0.025182      0.061317      0.187723
      7.11422     16.72196     20.49263        -0.039919     -0.446679     -0.790062
      6.95097     10.04212      9.63785        -0.020790     -0.122058      0.141055
      7.05251      8.58897      5.25788        -0.048271      0.029534     -0.044390
      7.61199     17.69496     10.85034        -0.037735      0.036121      0.000251
      7.41307     20.42636      7.09940        -0.018167      0.023416     -0.123461
      3.28363     11.97798      7.10602         0.069091     -0.189416      0.142868
      3.84958      9.16910     10.78605         0.036427      0.201948     -0.120220
      3.72344     19.45303      8.29773         0.038765      0.050528      0.187636
      4.32286     20.76780     12.70545        -0.108403     -0.273580     -0.293065
      2.85348     13.19748      3.73105        -0.014746     -0.128330     -0.252416
     -0.02108     11.98709      0.31131        -0.382159     -0.311947     -0.387316
      2.36198      0.17056      4.81513        -0.004277      0.031182      0.080260
      0.07165      2.36221      1.40703        -0.009810     -0.061027     -0.166764
      2.88569     14.57229     18.87120         0.095834     -0.089163      0.398411
      4.88849     11.66482      0.58226        -0.022273      0.227141     -0.095484
      3.19393      1.22456     -0.05801        -0.133801      0.117104     -0.207755
      5.78771      1.89505      3.73348        -0.053998      0.002405     -0.012222
     -0.62744     16.62978     16.08586         0.027623     -0.170435      0.062188
     17.13855     15.08197     13.43632         0.433240      0.409369      0.187201
     -0.10025      2.80935     17.20940         0.211372     -0.035131      0.264728
     18.37560      5.61114     14.76595         0.204235     -0.497380      0.102180
     20.96637     18.83618     11.36160         0.151873     -0.181676      0.400607
      1.99910     15.86237     14.12490        -0.150800      0.299615     -0.320082
      0.44639      4.92464     12.87519        -0.499702      0.015673     -0.438507
      3.80872      6.16068     15.82823        -0.557076     -0.335526     -0.284908
     18.24908     20.72640      8.01640        -0.095415     -0.043769     -0.174442
     16.16671     19.57676      4.01648         0.138612      0.328682      0.216483
     17.82416      7.25871      9.75154        -0.112253      0.031249     -0.005203
     16.28812      9.88936      6.23482        -0.108893      0.112260     -0.051633
     18.62952      2.49101      3.24896        -0.033874     -0.027122     -0.028484
     20.67386     20.35853      5.64736         0.010200      0.102709     -0.050555
     19.05512      9.21930      5.38768        -0.787525      0.150694     -1.254668
      0.49913     10.25773      8.99353         1.493490      1.314816      1.487761
     14.04232     17.34125      5.52731        -0.012117      0.045702     -0.015879
     16.01113     16.38843      5.72690         0.102359     -0.067181     -0.060720
     14.81516     16.07679      3.94466        -0.172954     -0.064264      0.148991
     11.77916     15.26782     11.48735         0.059975     -0.009733     -0.136506
     11.43923     14.42497      9.50260         0.003496      0.000803      0.118661
     13.20022     13.81711     10.69094        -0.081536      0.008861      0.189560
     11.95688     18.00223      7.10877         0.009344     -0.016079      0.141870
      9.95304     18.56612      6.41462        -0.098539     -0.016384      0.007634
     10.22356     16.86274      7.73737         0.012026     -0.036111      0.015079
     13.48968     18.53621      0.17812         0.134732     -0.047486      0.129773
     14.23414     17.07686      1.62500        -0.148130      0.012779     -0.024394
     12.20886     16.92490      0.79139        -0.107505      0.023225     -0.014173
     11.28144      0.19028     18.31364        -0.075200      0.027131     -0.108743
     13.07016     -0.59795     19.30853        -0.083111     -0.048670      0.113612
     12.51649     20.00238     17.30088         0.071745     -0.070707      0.190502
      8.25906     19.30321      3.27141         0.178467      0.098022     -0.136036
      7.67201     18.63566      1.27589         0.137194      0.062420     -0.000862
      9.56872     17.98714      2.17521         0.090525      0.125988      0.090914
      7.57512      0.88363     20.16126        -0.016075     -0.107858      0.025258
      5.91263      1.07016     18.73045         0.044119      0.117640     -0.059672
      5.92150     20.75496     20.22937        -0.062756      0.029180     -0.048977
     10.51051      1.26905     13.44674        -0.052837      0.008502      0.020622
     11.34958     -0.14032     14.86456         0.210691     -0.275716      0.304207
      9.35444     20.80533     14.03018        -0.054979      0.136771     -0.009421
      8.86334      3.85996      9.54946         0.034313     -0.120105      0.008292
     10.38079      2.98739     10.88081        -0.175708     -0.066382     -0.014619
     10.11326      2.21951      8.85474        -0.041098     -0.051695      0.109809
      6.05281      1.93909     16.21452         0.219935     -0.052409     -0.477530
      5.11554      1.21710     14.40039        -0.032009      0.026252     -0.096233
      7.09533      0.52225     14.93728         0.064406     -0.100844      0.129900
      4.55198      5.09376     12.03578        -0.048789     -0.003344     -0.027059
      2.78040      3.85247     11.68681         0.139384      0.058224      0.014991
      4.38333      3.18903     13.02557        -0.106139      0.081560      0.076300
      7.31845      4.51935      5.43320        -0.069098      0.022338     -0.053862
      7.54663      2.94847      6.92571         0.011467      0.280051     -0.146768
      5.55120      3.48136      6.12917        -0.039485      0.035646     -0.257778
     -0.58454      7.25764      4.58533         0.031884     -0.112644      0.095531
      0.80127      7.26205      2.96978         0.207669      0.116041     -0.098632
     -0.97662      5.94438      2.91445        -0.012556      0.030355     -0.004519
      3.09227      5.79977      9.90462        -0.139834      0.011701      0.018775
      1.70191      4.57286      8.79151        -0.175037      0.073099     -0.067010
      3.74249      4.75244      8.11024         0.221867      0.165892      0.077962
      6.18071      6.87909      3.56348        -0.072672      0.078713     -0.095460
      4.24081      7.59385      4.37304         0.132509     -0.023888     -0.156935
      4.98835      5.67301      4.95952        -0.071753      0.141309     -0.159260
     -0.20108      8.51575     20.94272        -0.009334     -0.042464      0.217159
      1.42588      7.17039     -0.85974         0.003437     -0.046717     -0.509861
      0.06218      6.63091      0.72220         0.346482      0.397519     -0.019397
     19.45509      9.49312     19.21570         0.041690      0.117647     -0.084801
     19.60492     10.27343     17.15959        -0.080009     -0.007634      0.044082
     18.15056      8.72558     17.65293         0.171631      0.079821      0.066532
      4.84042      8.33010     20.02824        -0.240881      0.136926     -0.339314
      3.67061      6.85525     19.02105        -0.012062      0.224501      0.082861
      4.70731      8.35353     17.81022        -0.187292     -0.145860      0.170791
      3.19248     11.61862     14.19387        -0.030946      0.019115      0.095431
      2.62379     11.42391     16.29870        -0.006169     -0.007457      0.119770
      4.07160     10.07270     15.44869         0.163089     -0.033202     -0.087498
     17.25724     11.25873     13.40799        -0.018806      0.043291      0.232372
     18.75275      9.89329     12.70694        -0.018892      0.053563     -0.111595
     18.07924      9.77107     14.78618        -0.017945      0.060422      0.053104
     16.24138     14.19784      9.84583        -0.059050      0.071336      0.046009
     17.87468     14.89976      8.55534         0.102400     -0.061880     -0.167928
     16.32452     13.65761      7.71972         0.125879     -0.014451     -0.034200
      1.84285     12.58576     12.27366        -0.014844      0.139094      0.008238
      0.41271     11.10597     11.73593         0.102847      0.035353      0.023769
      1.41730     12.27500     10.16840        -0.058057      0.012017     -0.067985
      1.25726     15.77151      6.76070        -0.103961      0.028530      0.028473
      0.23978     15.60836      8.71251         0.168830     -0.087837      0.005380
      1.76713     14.17992      8.16865         0.022440      0.052474     -0.154724
     17.81038     16.34973      2.51386         0.224668      0.054235      0.093052
     19.29798     14.83273      3.04182         0.075932      0.060871     -0.068820
     17.22553     14.67670      3.76936         0.119649      0.187351     -0.077911
 -----------------------------------------------------------------------------------
    total drift:                               -0.007545     -0.002349      0.019417


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4575.9716902575 eV

  energy  without entropy=    -4576.1235019016  energy(sigma->0) =    -4576.02229414
 
 d Force = 0.8291827E-01[-0.317E-02, 0.169E+00]  d Energy = 0.8268811E-01 0.230E-03
 d Force = 0.4318665E+03[ 0.431E+03, 0.432E+03]  d Ewald  = 0.4318675E+03-0.108E-02


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   76(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3160
 total energy-change (2. order) : 0.7956559E+00  (-0.6438365E+02)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6688253 magnetization 

  free energy =  -0.457517602753E+04  energy without entropy=  -0.457532664571E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   76(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3488
 total energy-change (2. order) :-0.1382164E+01  (-0.1665208E+01)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.7250941 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8617
  0.8617

  free energy =  -0.457655819139E+04  energy without entropy=  -0.457670866674E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   76(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3688
 total energy-change (2. order) : 0.4567059E-01  (-0.3411739E-01)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6777319 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4130
  1.0868  1.7392

  free energy =  -0.457651252079E+04  energy without entropy=  -0.457666441488E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   76(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) :-0.7400591E-02  (-0.2851322E-01)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6431069 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2818
  2.1874  0.8289  0.8289

  free energy =  -0.457651992138E+04  energy without entropy=  -0.457667080283E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   76(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3664
 total energy-change (2. order) :-0.7962363E-03  (-0.5546548E-02)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6498359 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3225
  2.3867  0.9996  0.9996  0.9041

  free energy =  -0.457652071762E+04  energy without entropy=  -0.457667283552E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   76(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) : 0.2368072E-02  (-0.3055451E-02)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6502371 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2472
  2.3918  1.0383  1.0383  0.8837  0.8837

  free energy =  -0.457651834955E+04  energy without entropy=  -0.457666953093E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   76(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3480
 total energy-change (2. order) :-0.1059406E-03  (-0.5555886E-03)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6527548 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2222
  2.3902  0.9613  0.9613  1.1939  1.1939  0.6326

  free energy =  -0.457651845549E+04  energy without entropy=  -0.457667071368E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   76(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3528
 total energy-change (2. order) : 0.1391232E-03  (-0.8074978E-04)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6564631 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2163
  2.4541  1.0551  1.0551  1.3357  1.2021  0.8296  0.5825

  free energy =  -0.457651831636E+04  energy without entropy=  -0.457667007966E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   76(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3640
 total energy-change (2. order) :-0.1498268E-04  (-0.5338450E-04)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6557899 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2171
  2.5020  1.5470  1.0334  1.0334  1.1296  0.9567  0.9567  0.5779

  free energy =  -0.457651833135E+04  energy without entropy=  -0.457667013598E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   76(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3520
 total energy-change (2. order) :-0.1784446E-04  (-0.8433256E-05)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6554800 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2098
  2.5744  1.7871  1.0646  1.0646  1.1354  0.9572  0.9572  0.7671  0.5810

  free energy =  -0.457651834919E+04  energy without entropy=  -0.457667017072E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   76(  11)  ---------------------------------------



 eigenvalue-minimisations  :  2624
 total energy-change (2. order) :-0.1658686E-04  (-0.2590024E-05)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6552634 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2194
  2.6056  1.8772  1.3700  1.0342  1.0342  0.9551  0.9551  0.9537  0.8262  0.5823

  free energy =  -0.457651836578E+04  energy without entropy=  -0.457667015829E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   76(  12)  ---------------------------------------



 eigenvalue-minimisations  :  2224
 total energy-change (2. order) :-0.1781294E-04  (-0.4151159E-06)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6552813 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2557
  2.5886  2.2782  1.4618  1.0424  1.0424  1.2296  0.9467  0.9467  0.9482  0.7440
  0.5838

  free energy =  -0.457651838359E+04  energy without entropy=  -0.457667017065E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   76(  13)  ---------------------------------------



 eigenvalue-minimisations  :  2208
 total energy-change (2. order) :-0.1987739E-04  (-0.3705318E-06)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6553765 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2714
  2.7868  2.4780  1.4308  1.4308  1.0271  1.0271  0.9586  0.9586  0.9276  0.9276
  0.5837  0.7201

  free energy =  -0.457651840347E+04  energy without entropy=  -0.457667017619E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   76(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2248
 total energy-change (2. order) :-0.1514042E-04  (-0.2095687E-06)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6553622 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3366
  3.2927  2.5583  1.6150  1.6150  1.0414  1.0414  1.0645  1.0645  0.9551  0.9551
  0.8774  0.5836  0.7124

  free energy =  -0.457651841861E+04  energy without entropy=  -0.457667017706E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   76(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2224
 total energy-change (2. order) :-0.1186639E-04  (-0.1678253E-06)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6553055 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3767
  3.8648  2.5777  1.9538  1.0319  1.0319  1.1803  1.1803  1.2594  0.9720  0.9720
  0.9854  0.9854  0.5834  0.6959

  free energy =  -0.457651843047E+04  energy without entropy=  -0.457667017860E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   76(  16)  ---------------------------------------



 eigenvalue-minimisations  :  2184
 total energy-change (2. order) :-0.4668487E-05  (-0.8989897E-07)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6553055 magnetization 

  free energy =  -0.457651843514E+04  energy without entropy=  -0.457667017446E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0628       2 -56.1156       3 -56.0065       4 -55.8460       5 -55.8313
       6 -56.2900       7 -58.1473       8 -58.2318       9 -56.2530      10 -55.9200
      11 -56.0087      12 -55.7985      13 -55.7995      14 -55.9733      15 -58.0807
      16 -58.1198      17 -56.3408      18 -54.9818      19 -54.8477      20 -55.0551
      21 -55.6265      22 -55.5596      23 -55.5880      24 -55.6052      25 -55.0216
      26 -54.7273      27 -54.9153      28 -54.9511      29 -60.3918      30 -60.3602
      31 -55.6896      32 -55.8083      33 -55.7224      34 -55.4182      35 -55.5244
      36 -56.0138      37 -57.8331      38 -57.9632      39 -56.1044      40 -55.8047
      41 -55.9250      42 -55.6932      43 -55.7528      44 -55.9265      45 -58.0849
      46 -58.1340      47 -56.4715      48 -55.1483      49 -54.9384      50 -55.2905
      51 -55.8844      52 -55.8373      53 -55.7539      54 -55.7430      55 -55.0626
      56 -54.8453      57 -54.9914      58 -56.3741      59 -60.3473      60 -60.6126
      61 -55.9681      62 -56.0201      63 -55.8979      64 -55.7768      65 -55.7460
      66 -56.2067      67 -58.0510      68 -58.1342      69 -56.1762      70 -55.8574
      71 -55.9603      72 -55.6765      73 -55.6831      74 -55.9164      75 -58.0461
      76 -58.0786      77 -56.3236      78 -55.0682      79 -54.8855      80 -55.1853
      81 -55.8024      82 -55.7981      83 -55.8568      84 -55.8999      85 -55.2679
      86 -54.9891      87 -55.1882      88 -56.3821      89 -60.6485      90 -60.3796
      91 -55.7435      92 -55.8568      93 -55.7731      94 -55.5330      95 -55.5938
      96 -56.1148      97 -57.9386      98 -57.9956      99 -56.2133     100 -55.9067
     101 -56.0471     102 -55.7175     103 -55.7909     104 -56.0111     105 -58.1239
     106 -58.1612     107 -56.4417     108 -55.1854     109 -54.9638     110 -55.3823
     111 -55.8935     112 -55.8486     113 -55.7529     114 -55.7667     115 -55.0376
     116 -54.8599     117 -55.0326     118 -56.3247     119 -60.4368     120 -60.5987
     121 -55.9709     122 -55.9818     123 -55.8526     124 -55.7870     125 -55.7808
     126 -56.2043     127 -58.1000     128 -58.1765     129 -56.1673     130 -55.7926
     131 -55.8892     132 -55.7077     133 -55.6188     134 -55.8083     135 -57.9076
     136 -58.0348     137 -56.3675     138 -55.0671     139 -54.9032     140 -55.3257
     141 -55.8813     142 -55.8076     143 -55.8728     144 -55.8725     145 -55.2024
     146 -55.0691     147 -55.2494     148 -56.3949     149 -60.5058     150 -60.5574
     151 -55.6641     152 -55.7161     153 -55.5611     154 -55.4325     155 -55.4614
     156 -55.9210     157 -57.9456     158 -57.9083     159 -56.0149     160 -55.7544
     161 -55.9237     162 -55.5551     163 -55.5858     164 -55.8046     165 -57.9633
     166 -58.0486     167 -56.3704     168 -55.0243     169 -54.7858     170 -55.2011
     171 -55.8345     172 -55.8649     173 -55.8538     174 -55.7866     175 -55.3027
     176 -54.9618     177 -55.0899     178 -56.4917     179 -60.4606     180 -60.5736
     181 -55.8398     182 -56.0510     183 -55.9216     184 -55.6264     185 -55.6570
     186 -56.2190     187 -57.9855     188 -58.2348     189 -56.2507     190 -55.8579
     191 -56.0105     192 -55.7393     193 -55.7150     194 -55.9274     195 -58.0294
     196 -58.1661     197 -56.4905     198 -55.0659     199 -54.8972     200 -55.2690
     201 -55.8259     202 -55.8351     203 -55.9120     204 -55.8760     205 -55.1381
     206 -55.1996     207 -55.2225     208 -56.4846     209 -60.6953     210 -60.4683
     211 -55.9871     212 -56.0361     213 -55.9273     214 -55.8007     215 -55.7667
     216 -56.2837     217 -58.1433     218 -58.1437     219 -56.1364     220 -55.8121
     221 -55.9057     222 -55.5624     223 -55.4968     224 -55.7951     225 -57.9583
     226 -58.0859     227 -56.4964     228 -55.0553     229 -54.9304     230 -55.2496
     231 -55.7735     232 -55.7780     233 -55.7315     234 -55.7410     235 -55.0093
     236 -55.0875     237 -55.2346     238 -56.4470     239 -60.3649     240 -60.4165
     241 -55.9927     242 -56.0198     243 -55.9022     244 -55.7757     245 -55.7654
     246 -56.2062     247 -58.0753     248 -58.1624     249 -56.1986     250 -55.8802
     251 -55.9840     252 -55.7527     253 -55.7547     254 -55.9361     255 -58.0056
     256 -58.0442     257 -56.3540     258 -55.0785     259 -54.8552     260 -55.2430
     261 -55.8014     262 -55.8011     263 -55.9096     264 -55.9663     265 -55.3195
     266 -54.9863     267 -55.2231     268 -56.3941     269 -60.6093     270 -60.3742
     271 -55.8718     272 -55.9356     273 -55.7878     274 -55.6798     275 -55.6201
     276 -56.0508     277 -58.0835     278 -58.1189     279 -55.9487     280 -55.6637
     281 -55.7774     282 -55.5300     283 -55.5525     284 -55.8172     285 -58.0677
     286 -57.9150     287 -56.3800     288 -55.0441     289 -54.8524     290 -55.2136
     291 -55.8234     292 -55.7773     293 -55.8343     294 -55.8413     295 -55.2140
     296 -54.9516     297 -55.0472     298 -56.4201     299 -60.4937     300 -60.5470
     301 -55.8883     302 -56.0212     303 -55.9265     304 -55.6456     305 -55.6817
     306 -56.1948     307 -58.0538     308 -58.2282     309 -56.2268     310 -55.8973
     311 -55.9768     312 -55.7052     313 -55.6825     314 -55.8791     315 -57.9634
     316 -58.0911     317 -56.3612     318 -54.9923     319 -54.7999     320 -55.2558
     321 -55.7648     322 -55.7229     323 -55.8538     324 -55.8825     325 -55.2091
     326 -55.0671     327 -55.2310     328 -56.4118     329 -60.5538     330 -60.4320
     331 -55.7228     332 -55.7554     333 -55.6212     334 -55.5522     335 -55.5306
     336 -55.9689     337 -57.9300     338 -57.9164     339 -55.8914     340 -55.6046
     341 -55.7469     342 -55.4800     343 -55.5040     344 -55.7489     345 -57.9379
     346 -57.9541     347 -56.4657     348 -55.0108     349 -54.9407     350 -55.2957
     351 -55.8066     352 -55.7583     353 -55.7385     354 -55.7424     355 -55.1849
     356 -54.9160     357 -55.0053     358 -56.4163     359 -60.4576     360 -60.5359
     361 -39.0660     362 -38.8140     363 -38.9748     364 -39.0130     365 -38.9546
     366 -38.7230     367 -38.1087     368 -38.1033     369 -37.9968     370 -38.1095
     371 -38.1291     372 -38.1701     373 -38.6662     374 -38.3080     375 -38.6979
     376 -38.8022     377 -38.8420     378 -38.7407     379 -38.1873     380 -38.1499
     381 -38.2264     382 -37.9799     383 -38.2487     384 -38.0108     385 -38.9068
     386 -38.8031     387 -38.9116     388 -38.8833     389 -38.8477     390 -38.5703
     391 -38.2120     392 -38.3117     393 -38.1514     394 -38.1737     395 -38.1958
     396 -38.2875     397 -38.7405     398 -38.4439     399 -38.8009     400 -38.8612
     401 -38.8334     402 -38.7532     403 -38.2429     404 -38.1893     405 -38.4521
     406 -38.0639     407 -38.1392     408 -37.8795     409 -38.7633     410 -38.7845
     411 -38.9802     412 -38.7313     413 -38.9297     414 -38.6486     415 -38.2822
     416 -38.2273     417 -38.2514     418 -38.1755     419 -38.2636     420 -38.3171
     421 -38.6064     422 -38.3547     423 -38.6076     424 -38.6925     425 -38.5987
     426 -38.5884     427 -38.2488     428 -38.0308     429 -38.2940     430 -38.1863
     431 -38.1063     432 -37.9952     433 -38.7525     434 -38.7065     435 -38.8661
     436 -38.6712     437 -38.9631     438 -38.6736     439 -38.3524     440 -38.0685
     441 -38.1164     442 -38.1296     443 -38.2841     444 -38.0933     445 -38.8941
     446 -38.9008     447 -38.9578     448 -38.7032     449 -38.7533     450 -38.3748
     451 -38.0339     452 -37.9871     453 -38.1535     454 -37.9214     455 -38.2377
     456 -38.1899     457 -38.9284     458 -38.7005     459 -38.9210     460 -38.8895
     461 -38.9039     462 -38.6958     463 -38.1787     464 -38.2433     465 -38.2693
     466 -38.3560     467 -38.1391     468 -38.2481     469 -38.8597     470 -38.6612
     471 -38.7651     472 -38.7366     473 -38.6079     474 -38.4731     475 -38.2903
     476 -38.0996     477 -38.1400     478 -38.1036     479 -38.1665     480 -38.0383
     481 -38.8678     482 -38.7524     483 -38.9119     484 -38.8469     485 -38.9377
     486 -38.7408     487 -38.1410     488 -38.1519     489 -38.2160     490 -38.2438
     491 -38.2249     492 -38.3976     493 -38.8062     494 -38.5264     495 -38.6438
     496 -38.6925     497 -38.4853     498 -38.4675     499 -38.1847     500 -37.9291
     501 -38.1580     502 -38.1181     503 -38.1142     504 -37.9945     505 -38.2003
     506 -41.0746     507 -71.6812     508 -71.5730     509 -71.3201     510 -71.5960
     511 -71.5577     512 -71.4797     513 -71.4103     514 -71.5721     515 -71.6136
     516 -71.4289     517 -71.4273     518 -71.5194     519 -71.5063     520 -71.5669
     521 -71.5471     522 -71.4684     523 -71.5526     524 -71.4822     525 -71.5299
     526 -71.4298     527 -71.6106     528 -71.4806     529 -71.1595     530 -71.4906
     531 -76.8958     532 -76.8012     533 -76.8284     534 -76.7498     535 -76.6108
     536 -76.5482     537 -76.8160     538 -76.7297     539 -76.7848     540 -76.6737
     541 -76.7752     542 -76.7141     543 -76.6285     544 -76.6753     545 -76.8205
     546 -76.7331     547 -76.8324     548 -76.7783     549 -76.7245     550 -76.5824
     551 -76.5817     552 -76.6302     553 -76.6118     554 -76.6488     555 -76.8906
     556 -76.7156     557 -76.8453     558 -76.7110     559 -76.7920     560 -76.8255
     561 -76.7135     562 -76.6315     563 -76.8481     564 -76.7055     565 -76.7064
     566 -76.6495     567 -76.8317     568 -76.7538     569 -76.5309     570 -76.8078
     571 -76.8913     572 -76.7492     573 -76.8025     574 -76.6384     575 -76.5766
     576 -76.5720     577 -76.6199     578 -76.5586     579 -82.3610     580 -82.2427
     581 -82.2482     582 -82.3988     583 -82.2693     584 -82.2639     585 -82.4266
     586 -82.4940     587 -82.6066     588 -82.1893     589 -82.0792     590 -82.3070
     591 -82.3710     592 -82.1860     593 -82.1996     594 -82.6492     595 -82.3958
     596 -82.6113     597 -82.4440     598 -82.4680     599 -82.6191     600 -82.1811
     601 -82.2413     602 -82.4046     603 -82.4355     604 -82.3482     605 -82.5532
     606 -82.3053     607 -82.3253     608 -82.4714     609 -82.7037     610 -82.2833
     611 -82.4297     612 -82.5194     613 -82.2561     614 -82.2890     615 -82.4355
     616 -82.5443     617 -82.4237     618 -82.6919     619 -82.5906     620 -82.6818
     621 -82.2193     622 -82.4353     623 -82.2746     624 -82.3524     625 -82.2834
     626 -82.1872     627 -82.2714     628 -82.2704     629 -82.2362     630 -82.3285
     631 -82.6095     632 -82.3362     633 -82.4229     634 -82.4449     635 -82.5394
     636 -82.3610     637 -82.3916     638 -82.2664     639 -82.2351     640 -82.4094
     641 -82.4054     642 -82.3967     643 -82.5553     644 -82.3392     645 -82.4108
     646 -82.3855     647 -82.5352     648 -82.3842     649 -82.3646     650 -82.2442
 
 
 
 E-fermi :  -1.4680     XC(G=0):  -6.5264     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.1073      2.00000
      2     -28.9247      2.00000
      3     -28.8953      2.00000
      4     -28.8710      2.00000
      5     -28.8536      2.00000
      6     -28.8250      2.00000
      7     -28.8241      2.00000
      8     -28.8171      2.00000
      9     -28.7679      2.00000
     10     -28.7347      2.00000
     11     -28.7272      2.00000
     12     -28.7062      2.00000
     13     -28.7054      2.00000
     14     -28.6810      2.00000
     15     -28.6735      2.00000
     16     -28.6697      2.00000
     17     -28.6656      2.00000
     18     -28.6337      2.00000
     19     -28.6077      2.00000
     20     -28.5968      2.00000
     21     -28.5731      2.00000
     22     -28.5583      2.00000
     23     -28.5582      2.00000
     24     -28.5084      2.00000
     25     -26.8435      2.00000
     26     -26.6683      2.00000
     27     -26.6595      2.00000
     28     -26.6332      2.00000
     29     -26.6276      2.00000
     30     -26.5864      2.00000
     31     -26.5815      2.00000
     32     -26.5722      2.00000
     33     -26.5394      2.00000
     34     -26.5184      2.00000
     35     -26.5049      2.00000
     36     -26.4973      2.00000
     37     -26.4951      2.00000
     38     -26.4941      2.00000
     39     -26.4918      2.00000
     40     -26.4910      2.00000
     41     -26.4884      2.00000
     42     -26.4854      2.00000
     43     -26.4758      2.00000
     44     -26.4561      2.00000
     45     -26.4306      2.00000
     46     -26.4204      2.00000
     47     -26.4193      2.00000
     48     -26.4190      2.00000
     49     -26.4083      2.00000
     50     -26.3897      2.00000
     51     -26.3888      2.00000
     52     -26.3870      2.00000
     53     -26.3658      2.00000
     54     -26.3652      2.00000
     55     -26.3577      2.00000
     56     -26.3560      2.00000
     57     -26.3438      2.00000
     58     -26.3352      2.00000
     59     -26.3293      2.00000
     60     -26.3194      2.00000
     61     -26.3189      2.00000
     62     -26.3124      2.00000
     63     -26.2898      2.00000
     64     -26.2714      2.00000
     65     -26.2622      2.00000
     66     -26.2543      2.00000
     67     -26.2423      2.00000
     68     -26.2389      2.00000
     69     -26.2168      2.00000
     70     -26.2160      2.00000
     71     -26.1951      2.00000
     72     -26.1631      2.00000
     73     -23.2539      2.00000
     74     -23.2073      2.00000
     75     -23.2020      2.00000
     76     -23.1893      2.00000
     77     -23.1871      2.00000
     78     -23.1811      2.00000
     79     -23.1577      2.00000
     80     -23.1534      2.00000
     81     -23.1391      2.00000
     82     -23.1329      2.00000
     83     -23.1315      2.00000
     84     -23.1176      2.00000
     85     -23.1127      2.00000
     86     -23.1104      2.00000
     87     -23.0761      2.00000
     88     -23.0690      2.00000
     89     -23.0652      2.00000
     90     -23.0254      2.00000
     91     -23.0236      2.00000
     92     -22.9890      2.00000
     93     -22.9877      2.00000
     94     -22.9716      2.00000
     95     -22.9535      2.00000
     96     -22.9375      2.00000
     97     -22.8053      2.00000
     98     -22.8013      2.00000
     99     -22.7855      2.00000
    100     -22.7834      2.00000
    101     -22.7730      2.00000
    102     -22.7640      2.00000
    103     -22.7361      2.00000
    104     -22.7263      2.00000
    105     -22.7090      2.00000
    106     -22.7021      2.00000
    107     -22.6946      2.00000
    108     -22.6932      2.00000
    109     -22.6749      2.00000
    110     -22.6557      2.00000
    111     -22.6411      2.00000
    112     -22.6291      2.00000
    113     -22.6043      2.00000
    114     -22.5800      2.00000
    115     -22.5631      2.00000
    116     -22.5378      2.00000
    117     -22.5367      2.00000
    118     -22.5325      2.00000
    119     -22.5101      2.00000
    120     -22.5029      2.00000
    121     -20.4643      2.00000
    122     -20.3859      2.00000
    123     -20.3697      2.00000
    124     -20.3514      2.00000
    125     -20.3493      2.00000
    126     -20.3371      2.00000
    127     -20.3266      2.00000
    128     -20.3256      2.00000
    129     -20.3227      2.00000
    130     -20.3086      2.00000
    131     -20.2985      2.00000
    132     -20.2947      2.00000
    133     -20.2896      2.00000
    134     -20.2889      2.00000
    135     -20.2843      2.00000
    136     -20.2656      2.00000
    137     -20.2354      2.00000
    138     -20.2213      2.00000
    139     -20.2038      2.00000
    140     -20.1814      2.00000
    141     -20.1214      2.00000
    142     -20.0946      2.00000
    143     -20.0569      2.00000
    144     -20.0421      2.00000
    145     -18.6501      2.00000
    146     -18.5318      2.00000
    147     -18.5294      2.00000
    148     -18.5123      2.00000
    149     -18.4839      2.00000
    150     -18.4662      2.00000
    151     -18.4612      2.00000
    152     -18.4570      2.00000
    153     -18.4395      2.00000
    154     -18.4260      2.00000
    155     -18.3976      2.00000
    156     -18.3715      2.00000
    157     -18.3242      2.00000
    158     -18.2652      2.00000
    159     -18.2275      2.00000
    160     -18.2235      2.00000
    161     -18.2169      2.00000
    162     -18.1943      2.00000
    163     -18.1888      2.00000
    164     -18.1629      2.00000
    165     -18.1576      2.00000
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    167     -18.0829      2.00000
    168     -18.0740      2.00000
    169     -17.9354      2.00000
    170     -17.9326      2.00000
    171     -17.9235      2.00000
    172     -17.8879      2.00000
    173     -17.8723      2.00000
    174     -17.8518      2.00000
    175     -17.8382      2.00000
    176     -17.8284      2.00000
    177     -17.8059      2.00000
    178     -17.7765      2.00000
    179     -17.7514      2.00000
    180     -17.7393      2.00000
    181     -17.6008      2.00000
    182     -17.5831      2.00000
    183     -17.5573      2.00000
    184     -17.5353      2.00000
    185     -17.5223      2.00000
    186     -17.5091      2.00000
    187     -17.5037      2.00000
    188     -17.4872      2.00000
    189     -17.4834      2.00000
    190     -17.4464      2.00000
    191     -17.4305      2.00000
    192     -17.4302      2.00000
    193     -16.7522      2.00000
    194     -16.7115      2.00000
    195     -16.6883      2.00000
    196     -16.6791      2.00000
    197     -16.6596      2.00000
    198     -16.6201      2.00000
    199     -16.5908      2.00000
    200     -16.5858      2.00000
    201     -16.5445      2.00000
    202     -16.5103      2.00000
    203     -16.5049      2.00000
    204     -16.4645      2.00000
    205     -16.1579      2.00000
    206     -16.1477      2.00000
    207     -16.1396      2.00000
    208     -16.1134      2.00000
    209     -16.0713      2.00000
    210     -16.0512      2.00000
    211     -16.0096      2.00000
    212     -15.9714      2.00000
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    214     -15.9094      2.00000
    215     -15.8935      2.00000
    216     -15.7831      2.00000
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    218     -15.6660      2.00000
    219     -15.6370      2.00000
    220     -15.6335      2.00000
    221     -15.6091      2.00000
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    223     -15.5828      2.00000
    224     -15.5795      2.00000
    225     -15.5738      2.00000
    226     -15.5656      2.00000
    227     -15.5159      2.00000
    228     -15.4711      2.00000
    229     -15.4559      2.00000
    230     -15.4393      2.00000
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    232     -15.4349      2.00000
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    236     -15.4093      2.00000
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    238     -15.3975      2.00000
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    240     -15.3835      2.00000
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   1529       5.8395      0.00000
   1530       5.8427      0.00000
   1531       5.8518      0.00000
   1532       5.8530      0.00000
   1533       5.8677      0.00000
   1534       5.8731      0.00000
   1535       5.8832      0.00000
   1536       5.8877      0.00000
   1537       5.9035      0.00000
   1538       5.9116      0.00000
   1539       5.9209      0.00000
   1540       5.9284      0.00000
   1541       5.9536      0.00000
   1542       5.9656      0.00000
   1543       5.9718      0.00000
   1544       5.9807      0.00000
   1545       5.9828      0.00000
   1546       5.9937      0.00000
   1547       6.0023      0.00000
   1548       6.0087      0.00000
   1549       6.0207      0.00000
   1550       6.0300      0.00000
   1551       6.0348      0.00000
   1552       6.0434      0.00000
   1553       6.0469      0.00000
   1554       6.0594      0.00000
   1555       6.0654      0.00000
   1556       6.0733      0.00000
   1557       6.0884      0.00000
   1558       6.0997      0.00000
   1559       6.1024      0.00000
   1560       6.1099      0.00000
   1561       6.1241      0.00000
   1562       6.1264      0.00000
   1563       6.1424      0.00000
   1564       6.1478      0.00000
   1565       6.1525      0.00000
   1566       6.1623      0.00000
   1567       6.1797      0.00000
   1568       6.1920      0.00000
   1569       6.1961      0.00000
   1570       6.2073      0.00000
   1571       6.2169      0.00000
   1572       6.2244      0.00000
   1573       6.2306      0.00000
   1574       6.2323      0.00000
   1575       6.2403      0.00000
   1576       6.2596      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.089  13.413  -0.001   0.001  -0.000   0.002  -0.004   0.001
 13.413  17.833  -0.001   0.002  -0.000   0.003  -0.006   0.001
 -0.001  -0.001  -4.234   0.003   0.001   8.283  -0.004  -0.001
  0.001   0.002   0.003  -4.234   0.001  -0.004   8.282  -0.001
 -0.000  -0.000   0.001   0.001  -4.227  -0.001  -0.001   8.273
  0.002   0.003   8.283  -0.004  -0.001 -18.331   0.007   0.001
 -0.004  -0.006  -0.004   8.282  -0.001   0.007 -18.327   0.000
  0.001   0.001  -0.001  -0.001   8.273   0.001   0.000 -18.321
 total augmentation occupancy for first ion, spin component:           1
  8.382  -3.766   0.179   0.147  -0.060   0.022   0.027  -0.010
 -3.766   1.764  -0.091  -0.100   0.036  -0.010  -0.016   0.005
  0.179  -0.091   1.767  -0.061  -0.039   0.167  -0.012  -0.007
  0.147  -0.100  -0.061   1.890  -0.094  -0.012   0.176  -0.013
 -0.060   0.036  -0.039  -0.094   1.226  -0.007  -0.013   0.080
  0.022  -0.010   0.167  -0.012  -0.007   0.017  -0.002  -0.001
  0.027  -0.016  -0.012   0.176  -0.013  -0.002   0.018  -0.002
 -0.010   0.005  -0.007  -0.013   0.080  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -49487.30392 86177.73161 20285.46782 -9752.23824  6137.70101 18442.15660
  Hartree  6258.42920113117.49305 58133.85696-10201.83839  4121.09001 12663.04821
  E(xc)  -10734.58786-10586.87381-10628.75224     2.81441     8.23667    33.72334
  Local    9795.52627************************ 19953.64554-10279.37151-30493.34583
  n-local -5840.92881 -5980.60152 -6034.97195     5.27923    16.84206   -66.64872
  augment  1493.78192  1534.72733  1487.71548     4.42525    12.40224    -3.82271
  Kinetic 45482.63961 43249.35031 43651.33976   -33.93923   -68.16421  -583.20799
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -124.5848615   -394.3078467   -161.4832477    -21.8514108    -51.2637264     -8.0971183
  in kB      -20.7755229    -65.7539896    -26.9286241     -3.6438977     -8.5486367     -1.3502593
  external PRESSURE =     -37.8193789 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.224E+03 -.105E+03 0.243E+03   0.224E+03 0.105E+03 -.244E+03   -.204E+00 -.622E+00 0.152E+01   0.297E-03 0.756E-04 -.131E-03
   -.181E+03 -.132E+03 0.595E+02   0.180E+03 0.133E+03 -.592E+02   0.299E+00 -.117E+01 -.365E+00   0.181E-03 0.222E-04 -.112E-03
   -.149E+03 -.122E+03 0.534E+01   0.148E+03 0.124E+03 -.370E+01   0.373E+00 -.127E+01 -.160E+01   0.184E-03 -.310E-04 -.972E-04
   -.208E+03 -.903E+02 0.329E+03   0.208E+03 0.902E+02 -.331E+03   -.276E+00 -.778E-01 0.252E+01   0.500E-03 0.554E-04 -.198E-03
   -.156E+03 -.145E+03 0.293E+03   0.156E+03 0.145E+03 -.294E+03   0.191E+00 -.845E+00 0.113E+01   0.457E-03 -.313E-04 -.202E-03
   -.135E+03 -.110E+03 0.167E+03   0.135E+03 0.110E+03 -.168E+03   0.752E-01 -.107E+00 0.122E+00   0.261E-03 -.809E-04 -.135E-03
   -.226E+03 -.132E+03 0.170E+03   0.225E+03 0.136E+03 -.171E+03   0.391E+00 -.452E+01 0.958E+00   0.231E-03 0.682E-04 -.106E-03
   -.180E+03 -.101E+03 0.314E+02   0.180E+03 0.105E+03 -.335E+02   -.669E+00 -.396E+01 0.203E+01   0.127E-03 0.217E-04 -.108E-03
   -.943E+02 0.381E+01 0.194E+03   0.942E+02 -.379E+01 -.194E+03   0.169E+00 0.321E-01 0.500E-01   0.205E-03 -.117E-03 -.119E-03
   -.771E+02 0.880E+02 0.609E+02   0.768E+02 -.895E+02 -.598E+02   0.298E+00 0.150E+01 -.117E+01   0.116E-03 -.902E-04 -.455E-04
   -.785E+02 0.102E+03 0.130E+03   0.782E+02 -.103E+03 -.130E+03   0.332E+00 0.964E+00 0.624E-02   0.673E-04 -.601E-04 -.516E-04
   -.937E+02 -.479E+01 0.326E+03   0.938E+02 0.453E+01 -.327E+03   0.202E-01 0.366E+00 0.120E+01   0.310E-03 -.123E-03 -.183E-03
   -.103E+03 -.472E+02 0.354E+03   0.103E+03 0.481E+02 -.356E+03   -.304E+00 -.977E+00 0.231E+01   0.243E-03 -.800E-04 -.170E-03
   -.101E+03 0.170E+02 0.297E+03   0.101E+03 -.170E+02 -.299E+03   0.869E-03 -.964E-02 0.156E+01   0.845E-04 -.819E-04 -.976E-04
   -.962E+02 0.104E+03 0.261E+03   0.955E+02 -.108E+03 -.263E+03   0.545E+00 0.390E+01 0.245E+01   0.211E-04 -.500E-04 -.398E-04
   -.774E+02 0.112E+03 0.100E+03   0.774E+02 -.114E+03 -.104E+03   0.511E-01 0.287E+01 0.341E+01   0.374E-04 -.464E-04 0.401E-04
   -.609E+02 0.101E+03 0.464E+02   0.613E+02 -.969E+02 -.420E+02   -.477E+00 -.455E+01 -.428E+01   -.227E-04 0.430E-04 0.255E-04
   0.495E+01 0.203E+03 -.150E+03   -.543E+01 -.205E+03 0.152E+03   0.396E+00 0.174E+01 -.217E+01   0.507E-04 0.285E-04 -.618E-05
   0.375E+02 0.152E+03 -.198E+03   -.379E+02 -.152E+03 0.200E+03   0.423E+00 0.239E+00 -.187E+01   0.647E-04 0.409E-04 -.294E-04
   -.634E+02 0.100E+03 0.178E+03   0.645E+02 -.992E+02 -.181E+03   -.117E+01 -.889E+00 0.315E+01   -.692E-04 0.306E-04 0.592E-04
   0.569E+01 0.623E+02 0.556E+01   -.687E+01 -.639E+02 -.441E+01   0.116E+01 0.153E+01 -.137E+01   -.686E-04 -.522E-05 0.303E-04
   0.208E+02 0.947E+01 -.123E+03   -.209E+02 -.956E+01 0.125E+03   -.650E-02 0.330E+00 -.737E+00   -.179E-05 -.182E-05 -.291E-04
   -.134E+02 -.390E+02 -.171E+03   0.138E+02 0.392E+02 0.170E+03   -.388E+00 -.205E+00 0.585E+00   0.241E-04 -.292E-04 -.442E-04
   -.287E+02 -.803E+02 -.226E+03   0.299E+02 0.820E+02 0.225E+03   -.112E+01 -.158E+01 0.106E+01   0.594E-04 -.230E-04 -.887E-04
   -.848E+01 -.161E+03 -.329E+03   0.795E+01 0.161E+03 0.330E+03   0.606E+00 -.608E+00 -.167E+01   0.900E-04 -.102E-03 -.110E-03
   -.934E+02 -.162E+03 -.155E+03   0.946E+02 0.162E+03 0.153E+03   -.114E+01 -.127E+00 0.171E+01   0.868E-05 -.579E-04 0.200E-05
   -.883E+02 -.273E+03 -.186E+03   0.888E+02 0.273E+03 0.185E+03   -.541E+00 -.789E+00 0.210E+00   0.725E-04 -.937E-04 -.265E-04
   -.323E+02 -.262E+03 -.279E+03   0.322E+02 0.263E+03 0.280E+03   0.178E+00 -.130E+01 -.413E+00   0.134E-03 -.144E-03 -.991E-04
   -.409E+02 -.267E+02 -.219E+03   0.468E+02 0.345E+02 0.214E+03   -.586E+01 -.795E+01 0.469E+01   0.782E-04 0.271E-04 -.125E-04
   -.581E+00 0.529E+02 0.228E+02   -.387E+01 -.617E+02 -.181E+02   0.464E+01 0.873E+01 -.483E+01   -.138E-03 0.373E-04 -.139E-03
   -.183E+03 -.209E+02 -.476E+02   0.183E+03 0.210E+02 0.492E+02   -.332E+00 -.190E+00 -.167E+01   0.827E-04 0.363E-04 -.849E-04
   -.119E+03 -.141E+03 0.135E+03   0.119E+03 0.142E+03 -.135E+03   0.234E-01 -.130E+01 -.218E+00   0.283E-04 -.230E-04 -.834E-04
   -.126E+03 -.155E+03 0.190E+03   0.126E+03 0.156E+03 -.191E+03   0.410E+00 -.165E+01 0.108E+01   0.202E-04 -.243E-04 -.445E-04
   -.280E+03 0.135E+02 -.175E+03   0.280E+03 -.149E+02 0.178E+03   -.120E+00 0.133E+01 -.258E+01   0.130E-03 0.754E-04 -.440E-04
   -.277E+03 -.598E+02 -.185E+03   0.277E+03 0.601E+02 0.186E+03   -.122E+00 -.232E+00 -.118E+01   0.148E-03 0.193E-04 0.222E-04
   -.192E+03 -.706E+02 0.859E+01   0.192E+03 0.704E+02 -.862E+01   0.348E+00 0.301E-01 0.455E-01   0.683E-04 -.215E-04 -.315E-05
   -.975E+02 -.550E+02 -.150E+02   0.985E+02 0.596E+02 0.171E+02   -.848E+00 -.406E+01 -.252E+01   0.738E-04 0.331E-04 -.161E-03
   -.640E+02 -.132E+03 0.107E+03   0.640E+02 0.135E+03 -.104E+03   -.576E-01 -.304E+01 -.367E+01   0.207E-05 -.309E-04 -.933E-04
   -.168E+03 0.481E+02 0.105E+02   0.168E+03 -.483E+02 -.106E+02   0.128E+00 0.261E+00 0.136E+00   0.532E-04 -.288E-04 0.196E-04
   -.874E+02 0.533E+02 0.212E+03   0.871E+02 -.546E+02 -.214E+03   0.323E+00 0.991E+00 0.174E+01   0.305E-04 0.322E-05 -.216E-04
   -.624E+02 0.729E+02 0.125E+03   0.624E+02 -.742E+02 -.125E+03   -.166E-01 0.127E+01 0.360E+00   0.112E-04 0.694E-04 -.344E-04
   -.206E+03 0.943E+02 -.215E+03   0.207E+03 -.952E+02 0.216E+03   -.181E+00 0.104E+01 -.787E+00   0.846E-04 -.518E-04 0.419E-04
   -.171E+03 0.483E+02 -.289E+03   0.171E+03 -.486E+02 0.291E+03   0.935E-01 0.221E+00 -.229E+01   0.597E-04 -.680E-04 -.352E-04
   -.103E+03 0.568E+02 -.141E+03   0.104E+03 -.577E+02 0.142E+03   -.384E+00 0.940E+00 -.133E+01   0.243E-04 0.495E-05 -.602E-04
   -.509E+02 0.990E+02 -.754E+02   0.509E+02 -.104E+03 0.761E+02   0.106E+00 0.480E+01 -.563E+00   0.248E-04 0.776E-04 -.164E-03
   -.158E+02 0.765E+02 0.139E+03   0.154E+02 -.808E+02 -.137E+03   0.480E+00 0.425E+01 -.196E+01   -.155E-04 0.135E-03 -.683E-04
   0.289E+02 0.442E+02 0.107E+03   -.274E+02 -.385E+02 -.109E+03   -.136E+01 -.563E+01 0.203E+01   -.330E-04 0.124E-03 -.628E-04
   -.164E+02 0.131E+03 0.266E+03   0.174E+02 -.132E+03 -.268E+03   -.930E+00 0.115E+01 0.240E+01   -.667E-04 0.107E-03 0.401E-04
   -.370E+02 0.120E+03 0.225E+03   0.380E+02 -.120E+03 -.227E+03   -.107E+01 -.272E+00 0.207E+01   -.372E-04 0.647E-04 0.175E-04
   0.547E+02 0.681E+02 -.351E+02   -.559E+02 -.684E+02 0.380E+02   0.119E+01 0.119E+00 -.295E+01   -.353E-05 0.657E-04 -.138E-03
   0.148E+02 0.234E+02 0.403E+02   -.143E+02 -.244E+02 -.424E+02   -.303E+00 0.923E+00 0.228E+01   -.575E-05 -.225E-04 -.869E-04
   -.174E+02 0.931E+01 0.859E+02   0.179E+02 -.906E+01 -.867E+02   -.533E+00 -.155E+00 0.105E+01   -.262E-04 -.192E-04 -.276E-04
   -.712E+02 -.117E+01 0.338E+02   0.711E+02 0.107E+01 -.332E+02   0.154E+00 0.744E-01 -.699E+00   0.327E-05 -.199E-04 -.415E-04
   -.139E+03 -.129E+02 0.792E+02   0.138E+03 0.138E+02 -.775E+02   0.947E+00 -.827E+00 -.171E+01   0.254E-04 -.250E-04 -.167E-04
   -.228E+03 -.687E+02 0.143E+03   0.230E+03 0.689E+02 -.146E+03   -.176E+01 -.751E-02 0.310E+01   0.657E-04 -.103E-04 -.267E-04
   -.732E+02 -.105E+03 -.113E+03   0.725E+02 0.104E+03 0.114E+03   0.560E+00 0.370E+00 -.176E+01   0.428E-04 -.797E-04 -.120E-03
   -.990E+02 -.112E+03 -.161E+03   0.982E+02 0.113E+03 0.164E+03   0.949E+00 -.123E+01 -.281E+01   0.755E-04 -.624E-04 -.130E-03
   -.166E+03 -.443E+02 0.174E+02   0.165E+03 0.381E+02 -.155E+02   0.123E+01 0.603E+01 -.213E+01   0.626E-04 -.191E-04 -.565E-04
   -.173E+03 0.169E+02 0.124E+03   0.169E+03 -.110E+02 -.116E+03   0.356E+01 -.596E+01 -.826E+01   0.963E-04 -.111E-03 -.156E-03
   -.399E+02 -.304E+01 -.320E+02   0.413E+02 -.325E+01 0.231E+02   -.129E+01 0.651E+01 0.892E+01   0.641E-04 -.907E-04 -.675E-04
   -.341E+03 -.747E+02 0.844E+02   0.341E+03 0.755E+02 -.856E+02   -.213E+00 -.582E+00 0.143E+01   0.412E-03 0.951E-05 -.873E-04
   -.336E+03 -.103E+03 -.818E+02   0.336E+03 0.104E+03 0.822E+02   0.114E+00 -.124E+01 -.413E+00   0.370E-03 -.147E-04 -.119E-03
   -.304E+03 -.899E+02 -.135E+03   0.304E+03 0.907E+02 0.137E+03   0.117E+00 -.130E+01 -.175E+01   0.308E-03 0.909E-05 -.982E-04
   -.284E+03 -.583E+02 0.171E+03   0.284E+03 0.583E+02 -.173E+03   -.570E-01 -.151E+00 0.234E+01   0.384E-03 -.626E-04 -.690E-04
   -.235E+03 -.108E+03 0.129E+03   0.235E+03 0.109E+03 -.130E+03   0.549E-01 -.873E+00 0.103E+01   0.274E-03 -.807E-04 -.378E-04
   -.255E+03 -.765E+02 0.178E+00   0.255E+03 0.768E+02 -.308E+00   0.548E-03 0.138E+00 -.180E+00   0.252E-03 0.536E-05 -.206E-04
   -.357E+03 -.103E+03 0.146E+02   0.357E+03 0.107E+03 -.157E+02   0.586E-01 -.451E+01 0.577E+00   0.357E-03 0.530E-04 -.699E-04
   -.342E+03 -.916E+02 -.488E+02   0.342E+03 0.957E+02 0.468E+02   -.650E+00 -.400E+01 0.212E+01   0.326E-03 -.616E-05 -.523E-04
   -.213E+03 0.419E+02 0.173E+02   0.213E+03 -.420E+02 -.173E+02   0.901E-01 0.984E-01 -.695E-01   0.173E-03 0.466E-04 0.172E-04
   -.244E+03 0.116E+03 -.821E+02   0.244E+03 -.118E+03 0.833E+02   -.552E-01 0.152E+01 -.122E+01   0.193E-03 0.812E-04 -.252E-04
   -.234E+03 0.125E+03 -.333E+01   0.234E+03 -.126E+03 0.325E+01   0.201E+00 0.119E+01 0.375E-01   0.167E-03 0.562E-04 0.208E-04
   -.157E+03 0.394E+02 0.129E+03   0.157E+03 -.398E+02 -.130E+03   0.158E-01 0.320E+00 0.113E+01   0.104E-03 0.229E-04 0.801E-04
   -.154E+03 -.151E+02 0.139E+03   0.155E+03 0.161E+02 -.141E+03   -.255E+00 -.106E+01 0.251E+01   0.671E-04 -.290E-04 0.115E-03
   -.202E+03 0.319E+02 0.120E+03   0.202E+03 -.322E+02 -.122E+03   0.131E+00 0.159E+00 0.154E+01   0.106E-03 -.351E-04 0.836E-04
   -.222E+03 0.999E+02 0.113E+03   0.222E+03 -.104E+03 -.115E+03   0.374E+00 0.405E+01 0.229E+01   0.933E-04 -.606E-04 0.145E-03
   -.255E+03 0.142E+03 0.644E+02   0.255E+03 -.145E+03 -.681E+02   -.702E-01 0.318E+01 0.330E+01   0.186E-03 0.555E-04 0.340E-04
   -.242E+03 0.107E+03 0.877E+02   0.242E+03 -.103E+03 -.839E+02   0.490E+00 -.464E+01 -.396E+01   0.113E-03 -.255E-04 0.613E-04
   -.125E+03 0.197E+03 0.140E+02   0.124E+03 -.198E+03 -.127E+02   0.137E+01 0.133E+01 -.140E+01   0.420E-04 0.239E-04 -.101E-04
   -.742E+02 0.115E+03 0.412E+02   0.730E+02 -.115E+03 -.394E+02   0.110E+01 0.484E-01 -.163E+01   0.171E-04 -.166E-04 -.286E-04
   -.298E+03 0.969E+02 0.182E+03   0.300E+03 -.965E+02 -.184E+03   -.183E+01 -.440E+00 0.218E+01   0.149E-03 -.100E-03 0.108E-03
   -.200E+03 0.502E+02 0.104E+03   0.199E+03 -.515E+02 -.103E+03   0.131E+01 0.133E+01 -.102E+01   0.743E-04 -.115E-03 0.728E-04
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   -.455E+03 -.206E+02 -.201E+02   0.501E+03 -.303E+01 0.310E+02   -.464E+02 0.236E+02 -.111E+02   -.646E-04 0.226E-03 0.212E-03
   0.855E+03 -.745E+02 -.181E+03   -.901E+03 0.964E+02 0.165E+03   0.462E+02 -.219E+02 0.159E+02   -.653E-03 -.476E-03 0.351E-03
   0.457E+03 0.367E+03 0.445E+02   -.447E+03 -.394E+03 -.868E+02   -.995E+01 0.277E+02 0.422E+02   -.579E-03 -.471E-03 0.497E-04
   0.701E+03 0.289E+03 -.402E+03   -.714E+03 -.323E+03 0.440E+03   0.134E+02 0.339E+02 -.384E+02   -.902E-03 -.753E-03 0.581E-03
   0.384E+03 -.776E+02 -.613E+03   -.416E+03 0.913E+02 0.651E+03   0.322E+02 -.137E+02 -.379E+02   -.258E-04 -.291E-04 0.166E-04
   -.896E+01 -.391E+03 -.877E+02   0.391E+02 0.433E+03 0.757E+02   -.301E+02 -.418E+02 0.118E+02   -.507E-05 -.124E-04 0.131E-03
   0.234E+03 0.141E+03 0.156E+03   -.264E+03 -.146E+03 -.201E+03   0.301E+02 0.494E+01 0.446E+02   -.751E-04 -.257E-04 0.981E-04
   -.247E+03 -.191E+03 -.380E+03   0.288E+03 0.198E+03 0.415E+03   -.406E+02 -.669E+01 -.349E+02   0.514E-04 -.634E-05 -.303E-03
   0.222E+03 0.331E+03 -.232E+03   -.235E+03 -.380E+03 0.246E+03   0.129E+02 0.493E+02 -.136E+02   0.236E-03 0.878E-04 -.342E-03
   -.694E+02 -.946E+02 0.139E+03   0.912E+02 0.909E+02 -.187E+03   -.218E+02 0.386E+01 0.474E+02   0.433E-04 -.523E-04 0.417E-07
   -.206E+03 -.426E+03 0.370E+03   0.226E+03 0.461E+03 -.404E+03   -.200E+02 -.348E+02 0.340E+02   0.151E-03 0.130E-03 0.125E-03
   0.121E+03 -.445E+03 -.219E+03   -.138E+03 0.470E+03 0.259E+03   0.165E+02 -.256E+02 -.403E+02   0.198E-03 -.151E-03 0.378E-04
   -.284E+03 -.100E+03 0.492E+02   0.326E+03 0.732E+02 -.297E+02   -.419E+02 0.273E+02 -.196E+02   0.209E-03 -.455E-04 0.119E-03
   0.106E+03 -.232E+03 0.784E+03   -.124E+03 0.261E+03 -.826E+03   0.178E+02 -.298E+02 0.414E+02   -.213E-03 0.180E-03 -.853E-03
   -.120E+03 0.182E+03 0.511E+03   0.160E+03 -.210E+03 -.531E+03   -.399E+02 0.281E+02 0.191E+02   0.205E-05 -.164E-04 -.447E-03
   0.235E+03 0.362E+03 0.413E+03   -.274E+03 -.394E+03 -.406E+03   0.394E+02 0.314E+02 -.632E+01   -.524E-04 0.111E-03 -.481E-03
 -----------------------------------------------------------------------------------------------
   0.367E+02 0.566E+01 -.136E+02   0.682E-11 0.335E-11 -.892E-11   -.367E+02 -.565E+01 0.136E+02   -.174E-01 -.515E-02 -.630E-03
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.17599      3.15461      1.33613        -0.006187     -0.002878      0.072195
     12.93180      3.59088      2.63767         0.071289      0.023512     -0.089695
     12.87555      4.95118      2.96206         0.010134     -0.090156      0.043576
     13.22300      4.07745      0.29223         0.048301     -0.132627      0.098565
     13.08965      5.43296      0.60306         0.111218     -0.030488      0.151502
     12.99598      5.92209      1.93418         0.016914      0.116042     -0.071252
     13.31048      1.66809      1.35195        -0.119169     -0.005313      0.017647
     12.73462      2.38349      3.50007        -0.007717      0.028847     -0.083039
     13.07848      7.40391      2.21145         0.083889      0.059045     -0.127261
     13.09149      7.94689      3.52336        -0.054590     -0.046591     -0.021636
     13.30504      9.31504      3.71122         0.078541     -0.078854      0.028701
     13.24472      8.32900      1.14295         0.103443      0.106039      0.115939
     13.47032      9.69992      1.33491        -0.034702     -0.033971      0.116396
     13.51435     10.18321      2.64450         0.058051     -0.034560      0.014429
     13.77381     11.55306      3.18218        -0.201597     -0.218453      0.146034
     13.38399     10.10091      4.98740         0.058802      0.140220     -0.643126
     13.75554     12.55875      5.54258        -0.011340      0.055536      0.057024
     13.49504     12.42116      6.91723        -0.091500     -0.245813     -0.252235
     13.55397     13.51873      7.76298        -0.015571      0.029080      0.156717
     14.10695     13.84790      5.11860        -0.060946     -0.064088     -0.191333
     14.16376     14.94551      5.99032        -0.019676      0.004414     -0.218672
     13.85991     14.83289      7.38013        -0.076080      0.239336      0.372577
     13.89729     15.94770      8.42427         0.003117     -0.064669      0.030917
     13.22290     16.00089      9.70218         0.066498      0.137995     -0.002806
     13.29393     17.15786     10.50257         0.075589      0.137934     -0.018812
     14.67723     17.08859      8.15726         0.095028      0.006080      0.095773
     14.69242     18.25359      8.91915        -0.080155     -0.011193      0.012811
     13.96010     18.31823     10.09674         0.035604     -0.137870      0.050710
     12.40953     14.88933     10.33110         0.023238     -0.055453     -0.151648
     14.71653     16.17306      5.30623         0.191982     -0.026335     -0.123328
      9.85278      3.84754      4.70757        -0.044081     -0.111522     -0.100114
      9.71413      4.76616      3.67019        -0.027822     -0.005706      0.011837
      9.73368      6.15137      3.91405         0.043693      0.082525     -0.063603
     10.09901      4.27636      6.00883         0.032930     -0.139906     -0.080076
     10.17705      5.64822      6.24673         0.045228      0.008900     -0.111796
      9.97261      6.63262      5.23500         0.066918     -0.143548      0.020227
      9.64671      2.46215      4.18179         0.132468      0.520685     -0.417112
      9.57626      3.98631      2.38759         0.029695     -0.102059     -0.067638
     10.03732      8.09373      5.61329         0.029324      0.040166      0.027889
     10.06149      9.15557      4.66754         0.023708     -0.216642     -0.108363
     10.17815     10.47480      5.10224        -0.062196     -0.046327     -0.020128
     10.07025      8.47372      6.98280        -0.062431      0.191844     -0.028779
     10.13451      9.80701      7.41890         0.078829     -0.011276     -0.114016
     10.21670     10.81145      6.45339        -0.072354      0.089993      0.018005
     10.28104     12.29971      6.56715         0.076671      0.171869      0.133763
     10.25730     11.73317      4.30095         0.121323     -0.081315      0.045987
     10.68905     14.18033      4.84934         0.133728      0.044895      0.180318
     11.23267     14.50585      3.60113         0.048666     -0.058585      0.017186
     11.60757     15.81642      3.30902        -0.007999      0.121743      0.020288
     10.55438     15.25952      5.74487        -0.005689     -0.208835      0.016143
     10.94589     16.57953      5.44227         0.126578     -0.094422      0.103546
     11.53100     16.93648      4.16120        -0.001048      0.096994      0.235600
     12.05540     18.31099      3.70535         0.030079     -0.024661     -0.077621
     12.67210     18.69710      2.44975        -0.059710      0.101632     -0.049582
     12.98912     20.04298      2.18422        -0.136819      0.240267     -0.097886
     11.94260     19.41846      4.57406        -0.091728     -0.158325      0.016167
     12.21442     20.75546      4.30862         0.106419      0.043065     -0.084942
     12.72418     21.11580      3.06071        -0.039010     -0.114992     -0.190791
     13.14401     17.81419      1.28771         0.181394     -0.143550     -0.080614
     10.77047     17.48769      6.65362         0.127858      0.223354     -0.040296
     10.60176      7.06759     14.78674        -0.075958      0.239999      0.174156
     10.51479      7.49244     16.11115         0.035818      0.195711      0.059839
     10.52185      8.86011     16.45782         0.096520     -0.460667      0.040929
     10.59793      8.00876     13.75436         0.045108     -0.156497      0.129984
     10.54208      9.36157     14.08948         0.000971      0.011949      0.251414
     10.55371      9.83681     15.43598         0.043801      0.445885     -0.310038
     10.59858      5.58193     14.75555         0.061512     -0.463193     -0.565976
     10.35130      6.26384     16.96764         0.017647      0.083819      0.117659
     10.60394     11.34130     15.68878         0.084791     -0.017793     -0.127367
     10.67907     11.94720     16.97412        -0.019460      0.034110     -0.019976
     10.75656     13.34435     17.08744         0.068267     -0.079832     -0.044876
     10.63193     12.23425     14.58087         0.069421     -0.009996      0.084465
     10.75838     13.62546     14.69068        -0.055057     -0.096650      0.069820
     10.81064     14.18075     15.96928         0.095336     -0.112406      0.066896
     10.93420     15.60088     16.42185        -0.084025     -0.230863      0.233987
     10.79897     14.21151     18.31593        -0.044152      0.071558     -0.482442
     10.77315     16.73667     18.71237         0.058832      0.078467     -0.169743
     10.05643     16.72117     19.90320         0.177195      0.083965     -0.033714
      9.90167     17.88946     20.64747        -0.089564      0.126022      0.128174
     11.34675     17.97416     18.37531         0.018772     -0.050965     -0.105661
     11.21065     19.14743     19.14961        -0.045940      0.029151      0.060871
     10.42506     19.17116     20.38035        -0.087554     -0.069349     -0.165682
     10.08959     20.34348      0.09111         0.158048     -0.086176     -0.087852
      9.37964     20.30130      1.35506         0.079779     -0.047954      0.270290
      9.19411      0.19551      2.15651        -0.000372     -0.073603      0.099866
     10.50066      0.40135     21.04785        -0.061754      0.101508     -0.047588
     10.32590      1.54559      0.58004         0.064940      0.038335      0.012950
      9.68962      1.46797      1.82371        -0.059245     -0.072862     -0.038990
      8.74211     19.07255      1.99672        -0.279218     -0.002815     -0.161534
     12.02402     20.28927     18.54788         0.214284      0.033323     -0.179575
      7.31599      7.65699     17.33159        -0.079609      0.034775      0.048507
      7.13643      8.57788     16.30029        -0.088405     -0.072478      0.093615
      7.07370      9.95762     16.56736         0.056350     -0.037737      0.021594
      7.55518      8.08199     18.63522         0.050090     -0.065840     -0.126016
      7.58238      9.45595     18.88479        -0.057886     -0.063061     -0.105933
      7.29913     10.43970     17.89547         0.044340     -0.015146     -0.105083
      7.12521      6.27725     16.81105         0.151839      0.249608     -0.210553
      7.02068      7.77859     15.01867         0.154658      0.208154     -0.020607
      7.26382     11.90571     18.30413         0.022065      0.013659      0.107458
      7.12999     13.00035     17.40225         0.024089      0.027737     -0.099221
      7.15693     14.32362     17.87836        -0.082014     -0.141754     -0.006792
      7.39533     12.25028     19.68016        -0.060852      0.154045     -0.105360
      7.37849     13.56591     20.15926         0.042556      0.117683     -0.082343
      7.25379     14.61266     19.24129        -0.086811     -0.012004     -0.134629
      7.19198     16.09721     19.42200        -0.007735      0.344137      0.346795
      7.12407     15.63529     17.13656         0.060203     -0.164656     -0.119237
      7.50650     18.07019     17.80013         0.132064      0.112314      0.095383
      8.34346     18.41488     16.73413        -0.010265      0.057078     -0.045977
      8.72610     19.74505     16.53150        -0.014049      0.031906      0.019760
      7.05055     19.14988     18.57690         0.024554     -0.174450     -0.132862
      7.42449     20.49540     18.35132         0.173278      0.034375     -0.069763
      8.34790     20.87200     17.28842        -0.003476      0.092561      0.299713
      8.95008      1.00701     16.93495         0.027490     -0.071072     -0.252905
      9.70567      1.38180     15.74282         0.134765     -0.276993     -0.091263
     10.16360      2.70337     15.55806        -0.213571     -0.053601      0.060519
      8.77335      2.11182     17.80186         0.118580      0.008409     -0.232590
      9.21944      3.43050     17.61255         0.016659      0.069701     -0.074277
      9.91710      3.76712     16.44041         0.071134      0.007057      0.134158
     10.22039      0.50463     14.55182         0.000581      0.429219      0.056904
      6.72205      0.17068     19.32622         0.175519      0.154012      0.012199
      6.90888     10.82287      6.23038        -0.040838     -0.032157      0.029983
      6.86171     11.27061      7.54561        -0.012245      0.025290      0.070614
      6.89840     12.64234      7.87098         0.019717     -0.110572      0.080882
      7.02328     11.75686      5.19335        -0.048735     -0.129961      0.144230
      7.07641     13.11991      5.51776        -0.058352     -0.063548      0.184496
      7.01098     13.62978      6.85004         0.020206      0.015761     -0.144085
      6.90253      9.31813      6.23145        -0.073187      0.309289      0.255945
      6.85121     10.04635      8.43520         0.005142      0.245816     -0.079525
      7.10251     15.14013      7.09254        -0.024811      0.072136     -0.133507
      7.13911     15.75706      8.37924         0.026415      0.089952     -0.032615
      7.24949     17.16048      8.49606         0.015894     -0.080982     -0.024428
      7.20747     16.03532      5.97907        -0.130654     -0.080449      0.201178
      7.29988     17.42530      6.10374        -0.093104     -0.023919      0.122843
      7.28878     17.98791      7.37764        -0.022480     -0.038688     -0.042212
      7.41347     19.42089      7.80012         0.058040     -0.443649      0.250306
      7.47198     18.04334      9.70185         0.015121     -0.083761     -0.544482
      7.69618     20.56984     10.05759         0.012885     -0.102727      0.044242
      7.22094     20.54198     11.36872         0.012916     -0.212456     -0.110165
      7.22034      0.43650     12.14092        -0.006331     -0.014531     -0.036447
      8.32997      0.50656      9.65655         0.014612     -0.162346      0.120626
      8.44839      1.63264     10.50674        -0.034907     -0.092184      0.144366
      7.77054      1.68024     11.80415         0.082547      0.149344     -0.020256
      7.54606      2.84406     12.79913         0.097313     -0.016081      0.014874
      6.91536      2.81597     14.11235        -0.000228      0.103085      0.323376
      6.72632      4.00185     14.85640         0.080370      0.042370      0.002299
      7.94042      4.15467     12.44335        -0.051321     -0.029180     -0.052671
      7.82672      5.31836     13.21726        -0.026361      0.021430      0.084742
      7.20163      5.26400     14.47239        -0.016435      0.044125     -0.159314
      6.31142      1.63582     14.89509         0.005928      0.079634      0.053653
      9.45251      2.65028      9.96975        -0.096861      0.174658      0.279698
      4.29294     11.54485     10.43817        -0.052463     -0.045012     -0.056203
      4.05867     12.40787      9.37379        -0.029940      0.002599     -0.074797
      4.19957     13.79488      9.51149        -0.069822     -0.054917     -0.073336
      4.71240     12.05207     11.67123        -0.096309     -0.092393     -0.200716
      4.74813     13.44026     11.83866        -0.011030     -0.059621     -0.183253
      4.49065     14.35715     10.78018        -0.036984     -0.130927      0.053361
      3.87104     10.16459     10.04979         0.001081      0.069173     -0.108055
      3.56049     11.58813      8.21050         0.135997      0.008868      0.320556
      4.47694     15.84196     11.03615         0.006699      0.101186      0.025370
      4.06833     16.79292     10.05561        -0.000458     -0.063375     -0.225950
      4.09182     18.16396     10.34810        -0.076774     -0.124394     -0.035819
      4.87470     16.34918     12.30271        -0.087052      0.089391     -0.008793
      4.79544     17.70548     12.62667        -0.025298     -0.002116     -0.086175
      4.39550     18.59390     11.63370        -0.006609      0.069522      0.141491
      4.26730     20.06350     11.69679         0.042630      0.216494      0.165776
      3.90505     19.39823      9.49929        -0.124449     -0.040455     -1.043073
      4.35987      0.62821      9.97933         0.011085      0.083379      0.154930
      4.88341      0.99513      8.74003         0.047440     -0.193515      0.085757
      5.42548      2.26406      8.57990        -0.061480      0.055278     -0.119008
      4.23681      1.68473     10.88715         0.068737      0.040305      0.006043
      4.72779      3.00243     10.67517         0.000190     -0.081241     -0.006597
      5.46631      3.35773      9.47966        -0.143029     -0.065296     -0.007576
      6.08060      4.71283      8.99548         0.096715      0.000253     -0.060746
      6.56420      5.03294      7.66794        -0.038057     -0.005804     -0.078139
      6.83932      6.35324      7.23659        -0.001274      0.337456     -0.052296
      6.10592      5.87091      9.80275        -0.094038     -0.181354      0.187942
      6.31746      7.18888      9.38126        -0.028957      0.248684      0.051988
      6.65401      7.49644      8.05330        -0.049229     -0.156594      0.069993
      6.75495      4.01518      6.55756         0.007681     -0.083729      0.148649
      4.14438      3.80626     11.82800         0.043059      0.117606     -0.267993
      0.81030     14.09626      1.03011        -0.030228      0.025815     -0.084904
      1.50611     14.54033      2.14535         0.044389      0.031978      0.074538
      1.52856     15.93010      2.44957         0.196964     -0.078719     -0.059162
      0.28334     14.97524      0.09772         0.038559      0.119215      0.161337
      0.42039     16.33946      0.33552        -0.068547      0.114783      0.037466
      0.97006     16.88691      1.52940        -0.004136     -0.037932      0.047502
      0.76513     12.62504      0.98658         0.248009      0.001681      0.053753
      2.15399     13.27369      2.74599        -0.440749      0.159105     -0.433107
      0.92729     18.42525      1.68201        -0.041043     -0.238788     -0.101034
      1.34061     19.17194      2.82439         0.000474     -0.067096      0.155844
      1.23841     20.57809      2.82127        -0.104029      0.061756      0.003292
      0.41743     19.19722      0.59075         0.046842     -0.031062      0.208219
      0.24951     20.58314      0.62459        -0.071466      0.009563      0.000359
      0.65548      0.01244      1.76143         0.054960     -0.005095      0.076996
      0.57877      1.46993      2.07612         0.286901     -0.249592      0.263638
      1.68747      0.35313      3.82404        -0.228593      0.040052     -0.313055
      1.32873      2.90643      4.04973        -0.014825      0.068609      0.065557
      1.97456      3.00014      5.28961         0.107876     -0.160985     -0.164510
      2.10895      4.22601      5.92776         0.109259     -0.090701      0.104802
      0.75165      4.11350      3.60098        -0.001733     -0.034108      0.032607
      0.83547      5.32479      4.33234        -0.143746     -0.008072     -0.192699
      1.60002      5.47649      5.53554         0.227448     -0.035911      0.338005
      1.97165      6.71382      6.40734        -0.052456     -0.235470     -0.173447
      2.44383      6.69217      7.77236        -0.101871      0.103839     -0.204744
      2.85764      7.85010      8.44117         0.157242      0.264206      0.104566
      1.99547      8.02962      5.88256         0.189189     -0.088663      0.064383
      2.47024      9.18547      6.53449         0.013340      0.186803     -0.019351
      2.92659      9.12891      7.86987         0.033086     -0.123153      0.017051
      2.70655      5.48726      8.63973        -0.342112     -0.287564     -0.056218
      0.01412      6.41852      3.70681        -0.119617      0.057367      0.481346
      4.58235     14.09756      0.64756        -0.075129      0.108342     -0.164524
      4.00680     15.01060     -0.23975        -0.004237      0.036136     -0.028193
      4.05891     16.40565     -0.02204        -0.024998     -0.148539      0.032325
      5.22264     14.57440      1.78650        -0.120202      0.209361     -0.019670
      5.21214     15.95279      2.04286        -0.122825      0.150552     -0.175010
      4.63387     16.93423      1.17629        -0.021352      0.353914      0.213182
      4.37408     12.70222      0.14320        -0.040707      0.115553      0.010912
      3.37445     14.19263     19.91063        -0.059282      0.149460      0.146230
      4.66194     18.44182      1.61724        -0.004305     -0.110411      0.050957
      4.15677     19.58352      0.90341         0.075080      0.026191      0.063415
      4.30302     20.90343      1.42877         0.049524     -0.146245     -0.042878
      5.24970     18.74836      2.88021        -0.119986      0.118302     -0.112051
      5.42606     20.04826      3.37961        -0.026165     -0.143491     -0.063036
      4.97572     21.13415      2.62710        -0.047708     -0.044092     -0.035857
      5.10283      1.35725      2.86924        -0.333007     -0.301043     -0.355087
      3.85025      1.01355      0.92783         0.051030     -0.246816     -0.075800
      4.04957      3.47846      1.79661        -0.038317     -0.223251     -0.237219
      3.17041      4.04651      0.84726         0.132565     -0.005637      0.000980
      2.95279      5.43077      0.76854         0.047476     -0.062737     -0.018126
      4.61157      4.42373      2.67427        -0.053274      0.289251      0.171700
      4.25935      5.80758      2.67688        -0.064251     -0.146469     -0.026241
      3.42745      6.41918      1.67617        -0.137346     -0.332833     -0.016849
      2.99292      7.89695      1.60682        -0.328359      0.016998     -0.140193
      1.75621      8.44086      1.07479         0.017844      0.059526      0.019057
      1.42153      9.79938      1.21606        -0.058114     -0.239341     -0.082839
      3.78401      8.90207      2.20163        -0.066156      0.233172     -0.192796
      3.41907     10.24786      2.42879         0.088386     -0.198451      0.151438
      2.21104     10.74034      1.90283        -0.098804      0.190421      0.088716
      0.73053      7.68643      0.21782         0.443455     -0.253266     -0.081781
      4.89631      6.50553      3.86617         0.009727     -0.154865      0.031112
     18.01724     17.33485     13.83991         0.053169      0.025658      0.059390
     19.00479     17.79988     14.71056        -0.084295      0.032356     -0.007320
     19.23666     19.17068     14.89481         0.017136     -0.053323      0.050380
     17.32429     18.24261     13.02999         0.100746     -0.164525      0.124766
     17.63653     19.60426     13.13851        -0.052928     -0.153983      0.230783
     18.52542     20.12723     14.11953        -0.015082     -0.118133     -0.107457
     17.97904     15.83710     13.91839        -0.022441     -0.095542     -0.120651
     19.71600     16.60673     15.29305        -0.301834      0.098276     -0.320051
     18.66341      0.35921     14.31061        -0.092660      0.161892     -0.007140
     19.55587      0.94603     15.25138        -0.081760      0.049437      0.022266
     19.56247      2.33864     15.43371        -0.083744     -0.115457      0.029913
     17.82351      1.25482     13.58618         0.051320      0.058472      0.142100
     17.83329      2.64273     13.77351         0.069755      0.104482      0.114978
     18.71641      3.18134     14.71229        -0.032052     -0.065281      0.028371
     18.93107      4.59294     15.16283         0.099491      0.000301      0.079605
     20.34565      3.18984     16.39283        -0.074635     -0.083277     -0.009711
     20.54707      5.69901     16.80169         0.047667      0.233760      0.079651
      0.62087      5.69457     17.22677        -0.054448     -0.046583      0.012259
      1.22225      6.85912     17.70793         0.065936     -0.156931     -0.051103
     19.85378      6.90221     17.02978         0.426189     -0.059487      0.156545
     20.46306      8.05323     17.59708        -0.024761      0.000511      0.104246
      0.62477      8.11185     17.91427        -0.023802      0.218702     -0.065329
      1.51241      9.29420     18.45659        -0.192629     -0.124889      0.137782
      2.87712      9.28822     18.95449         0.021026     -0.157535      0.239378
      3.49125     10.46954     19.45530         0.177363     -0.253338      0.141189
      0.96119     10.59438     18.54193        -0.318438     -0.061444     -0.365402
      1.54673     11.74325     19.07046         0.044923      0.347847      0.316073
      2.84480     11.69081     19.59597        -0.017725      0.326367     -0.017819
      3.95903      8.19859     18.96754         0.385080     -0.236965     -0.012253
     19.43269      9.12796     17.92035        -0.118872     -0.024499     -0.208147
      1.81221     18.29012     14.13551        -0.114097      0.068821     -0.076725
      1.11345     19.19654     13.34022        -0.131265      0.069968     -0.102306
      1.16917     20.57259     13.57582        -0.096342      0.109633      0.006947
      2.59823     18.75276     15.18834        -0.080319     -0.056749     -0.003333
      2.61576     20.12770     15.45171         0.121072     -0.212931     -0.139548
      1.91300     21.08337     14.67453         0.078193     -0.270961     -0.001716
      1.52495     16.90723     13.67255        -0.180147     -0.059238      0.108737
      0.34884     18.41520     12.30111         0.350575     -0.126929      0.567113
      2.05525      1.28387     14.97718         0.020424      0.194545      0.127172
      1.54324      2.29075     14.12219        -0.037127     -0.133992     -0.111019
      1.82598      3.63170     14.38160        -0.059063     -0.199921      0.064762
      2.74891      1.72751     16.13962        -0.004727      0.090431     -0.170156
      3.11065      3.06452     16.34539         0.006203      0.160990     -0.150796
      2.68873      4.01491     15.40612        -0.000870     -0.057259      0.139250
      2.93331      5.48866     15.28103        -0.617570     -0.427716     -0.316760
      1.30787      4.85623     13.72401        -0.667656      0.186580     -0.698914
      1.49034      7.32118     14.22243         0.040574      0.114980      0.232909
      0.16530      7.62396     13.88913         0.097683      0.067124      0.043508
     20.95485      8.92135     14.04517        -0.033151      0.118357      0.113232
      2.27546      8.42285     14.60708         0.180718     -0.047489      0.076507
      1.78814      9.74396     14.73156         0.026159     -0.127439      0.043737
      0.39617     10.06311     14.47681         0.058109      0.025917      0.106277
     20.88607     11.39084     14.59940        -0.119338     -0.030377      0.002777
     19.49147     11.65201     14.27092        -0.030729      0.173745     -0.077383
     18.93889     12.94702     14.37859        -0.100619      0.181181     -0.086474
      0.26952     12.56320     15.05879         0.109012     -0.174071     -0.107969
     -0.25992     13.85348     15.11289        -0.061930     -0.111888      0.143274
     19.66932     14.09326     14.75785        -0.113700     -0.050339     -0.141508
     18.41646     10.65909     13.81539        -0.173032     -0.168041     -0.029708
      2.89305     10.70136     15.14962        -0.069109      0.164189      0.042930
     16.33811      0.41521      5.24250         0.041685     -0.081601      0.075653
     16.93729      0.79190      6.44257        -0.036219      0.001435     -0.014964
     16.86862      2.11983      6.90943        -0.019189     -0.031740      0.085529
     15.67276      1.34401      4.46564         0.060228      0.014449      0.045731
     15.65360      2.66835      4.89898         0.001909      0.063381      0.086514
     16.22626      3.11993      6.11978        -0.049445      0.028974     -0.096782
     16.62934     20.24986      4.94046         0.110047      0.072214      0.110864
     17.66828     20.83565      6.95786        -0.138160      0.059576     -0.111464
     16.19077      4.61644      6.42908        -0.021795      0.054597     -0.106162
     16.77975      5.25742      7.55989        -0.104242      0.010328     -0.019984
     16.76817      6.66482      7.64914        -0.001448     -0.054702      0.009023
     15.58340      5.49028      5.47559         0.134688     -0.016559      0.073052
     15.63957      6.88401      5.53880         0.102886     -0.014834      0.059631
     16.25701      7.47166      6.63720        -0.058839     -0.012858     -0.024905
     16.53097      8.90892      6.93405        -0.022240     -0.205908      0.352045
     17.32576      7.58098      8.70329        -0.293317      0.053514     -0.492565
     17.68113     10.10720      8.87403        -0.024438      0.058381      0.094027
     18.71238     10.00475      9.80561        -0.090040     -0.176180     -0.041693
     19.28840     11.13822     10.36354        -0.033967      0.104945      0.098408
     17.21429     11.41369      8.63836        -0.082559     -0.156723     -0.085033
     17.82185     12.55355      9.20902         0.084595     -0.038157     -0.076399
     18.95447     12.47160     10.09520         0.088385      0.130918      0.122728
     19.77148     13.60356     10.76201        -0.318172     -0.062759      0.071281
     21.08068     13.52279     11.36208         0.113124      0.143398      0.147077
      0.44150     14.66528     11.91920         0.074415     -0.093148      0.066754
     19.20796     14.89817     10.89805         0.000476     -0.080942     -0.035697
     19.82958     16.02998     11.43235         0.083270     -0.064843      0.001430
     21.12362     15.93374     11.95932         0.078078     -0.028662      0.193329
      0.83026     12.37253     11.38575         0.074075      0.085994     -0.213926
     17.09611     13.81376      8.82946        -0.036926      0.222663     -0.038116
     20.26759      1.47461      6.22270        -0.099494     -0.032524     -0.144312
     19.66035      2.49781      5.48869         0.106965     -0.112455     -0.050200
     19.59638      3.79101      5.96894         0.001588      0.148570     -0.022834
     20.78590      1.73598      7.48367        -0.031616      0.063486     -0.016753
     20.65567      3.03134      8.00099        -0.036871     -0.131106     -0.041348
     20.08290      4.09675      7.26114        -0.002862     -0.113938      0.054482
     20.24164      0.22794      5.40298        -0.015659      0.119378     -0.112783
     19.21021      1.94312      4.17112         0.233064     -0.194802      0.377250
     20.10897      5.51087      7.73134        -0.001054      0.237004      0.074621
     19.68315      6.54751      6.87197        -0.231587     -0.017644     -0.139757
     20.00440      7.86847      7.16096        -0.186400      0.086965     -0.209527
     -0.63543      5.90856      8.99184         0.002046      0.036629      0.014903
     -0.32798      7.24154      9.29303        -0.014102     -0.098124     -0.007349
     20.69263      8.20656      8.31264         0.090915      0.141413      0.027525
     -0.21809      9.64573      8.23193         0.176424      0.329924      0.100238
     19.73299      9.11762      6.37667        -0.176077      0.042615     -0.148796
     20.31866     11.58242      6.68968         0.124586      0.159556      0.119482
     19.38006     12.02431      5.74203         0.047371     -0.231554      0.043381
     19.18572     13.38144      5.52432        -0.072108     -0.066967     -0.084306
     21.12866     12.59794      7.26223         0.036263     -0.225495      0.018802
     20.95723     13.97117      6.98024        -0.120331     -0.235186     -0.029303
     19.90123     14.43432      6.12026        -0.107112      0.217288      0.016418
     19.41482     15.85994      5.89540         0.003141     -0.109388      0.071373
     18.66185     16.36636      4.77903         0.023790      0.085448     -0.077340
     18.11962     17.66192      4.79121        -0.017113      0.168984      0.059289
     19.56224     16.80832      6.93374         0.040413     -0.174421      0.016925
     19.01079     18.08145      6.96731        -0.050533      0.110754     -0.008141
     18.22442     18.52933      5.90064        -0.092841      0.071846      0.039896
     18.28609     15.58356      3.52666         0.096719     -0.125096     -0.025569
      0.73227     14.87246      7.61790         0.002692      0.127982     -0.034622
     12.73485      5.23629      4.00670        -0.033361      0.017365     -0.033332
     13.34612      3.76013     20.51416         0.010336     -0.029368      0.022248
     13.08253      6.12086     21.02125         0.055494      0.114729     -0.022289
     12.95198      7.31425      4.40042        -0.042766     -0.011187      0.002330
     13.24096      7.98020      0.11168        -0.029919     -0.051118      0.000993
     13.61676     10.36156      0.47554        -0.006083     -0.037561      0.119639
     13.41249     13.30891      8.81208        -0.070900     -0.096366      0.007061
     13.22330     11.45882      7.33773         0.099560     -0.086543      0.007178
     14.31252     14.02234      4.06447         0.068195     -0.096110      0.158498
     12.81857     17.15536     11.48510        -0.118167     -0.035290     -0.168277
     15.32317     17.09642      7.29862         0.047824     -0.021885      0.118217
     15.27191     19.10623      8.55113         0.001123     -0.054102      0.136079
      9.56098      6.83949      3.07737         0.041669     -0.088194      0.148661
     10.19966      3.55027      6.82062         0.069151      0.141670     -0.092825
     10.39205      5.94603      7.27317         0.016979      0.067955     -0.066878
      9.98356      8.96067      3.59648         0.062997     -0.028852     -0.001730
      9.99101      7.71748      7.76323         0.028745     -0.030798     -0.058925
     10.11327     10.03033      8.49167         0.046255      0.044328     -0.173789
     12.00282     15.95045      2.32080         0.144054     -0.063347     -0.096931
     11.43927     13.74395      2.85291        -0.137756      0.014771     -0.018932
     10.19593     15.05435      6.75209        -0.007860     -0.020469     -0.185567
     13.41318     20.27452      1.21223         0.028898      0.016215      0.145623
     11.60421     19.26134      5.57488        -0.138246      0.039493      0.072400
     12.00023      0.23509      5.07520         0.025539      0.012480      0.020703
     10.48384      9.13567     17.51320        -0.013730      0.022934     -0.003039
     10.60331      7.70707     12.70633         0.035370     -0.062581      0.003279
     10.46421     10.06059     13.25674         0.106780     -0.012123      0.089071
     10.67786     11.35050     17.88650        -0.022350     -0.053672      0.042542
     10.57992     11.83696     13.56927         0.014859      0.024157     -0.008039
     10.81352     14.23003     13.78172        -0.017842      0.067845      0.122796
      9.30740     17.74007      0.26765        -0.136424     -0.012810     -0.094126
      9.59780     15.81341     20.27892         0.059811     -0.089150      0.038074
     11.90319     18.04226     17.44265        -0.010919     -0.012068      0.139626
      8.67562      0.09103      3.10906         0.068674     -0.035809     -0.143938
     10.98152      0.58666     20.10239         0.127283      0.030956      0.041756
     10.73218      2.49660      0.22669        -0.170900     -0.113239     -0.061896
      6.81783     10.63475     15.75021         0.102418      0.061635      0.018382
      7.71256      7.35956     19.44243        -0.003435      0.100802     -0.104829
      7.79362      9.74092     19.91296         0.011741      0.121767     -0.005878
      7.01815     12.82832     16.32955         0.052850      0.012549     -0.010443
      7.49333     11.47846     20.44010        -0.008705     -0.057037     -0.046470
      7.48425     13.74614     -0.02481        -0.029022      0.048863     -0.174570
      9.36004     19.90204     15.67899         0.264425     -0.177995      0.070060
      8.73483     17.66455     16.04637        -0.016584      0.035740      0.068100
      6.37504     18.95082     19.40236         0.061506     -0.095225     -0.000792
     10.66409      2.92965     14.62908         0.181050      0.050828     -0.064879
      8.21332      1.97110     18.70632        -0.037134     -0.004880      0.193754
      8.94802      4.18242     18.36319         0.189024     -0.243062     -0.196580
      6.82298     12.91716      8.92294         0.160965      0.078751      0.021117
      7.10849     11.44632      4.14708        -0.070943     -0.024832      0.108194
      7.20033     13.80044      4.67667        -0.022422      0.063470      0.042761
      7.08790     15.16182      9.29288         0.096552     -0.040585     -0.022016
      7.22787     15.65825      4.95651         0.031334     -0.144801      0.080589
      7.45937     18.05770      5.22862        -0.142613     -0.062189     -0.020196
      6.75814      0.32247     13.09906        -0.197958     -0.068492      0.004284
      6.83287     19.61186     11.79335         0.081907      0.247546     -0.063333
      8.78441      0.55264      8.66591        -0.031317     -0.005233      0.143780
      6.21032      3.95696     15.81272         0.099201     -0.143077     -0.135174
      8.37008      4.29282     11.46432         0.168904      0.101871     -0.101198
      8.26891      6.24416     12.83742        -0.249653     -0.101919     -0.003367
      4.01716     14.42896      8.64664         0.027230      0.016555     -0.026531
      4.93752     11.38731     12.50623        -0.083955      0.019495     -0.054953
      4.90579     13.80065     12.85304         0.164473      0.084328      0.001304
      3.73223     16.46120      9.06980         0.089100      0.053428      0.010841
      5.24804     15.68722     13.08310        -0.009612     -0.074666     -0.069095
      5.06946     18.07156     13.61960         0.014182     -0.093077     -0.071904
      5.80393      2.38230      7.59550         0.199136     -0.091019     -0.048439
      4.90287      0.30200      7.89924         0.109391      0.011251      0.045495
      3.72632      1.48887     11.82669         0.092094     -0.014040     -0.083751
      7.16423      6.49879      6.20568        -0.095510     -0.048018      0.219622
      5.88570      5.76737     10.85166        -0.087175      0.005831      0.147112
      6.15464      7.99069     10.10257         0.165515     -0.148507      0.054124
      2.01895     16.25553      3.37057        -0.021275      0.064540     -0.021573
     -0.17889     14.60351     20.44537        -0.134780      0.014866     -0.068052
      0.07364     16.99343     20.79572        -0.083520     -0.040281      0.123362
      1.70533     18.68194      3.73408         0.064791     -0.002862     -0.162184
      0.11427     18.71794     20.92238        -0.012243     -0.051137      0.042067
     -0.19387     -0.14743     21.03649         0.060501     -0.013042      0.009576
      2.69306      4.17460      6.81687         0.131824     -0.163619      0.014789
      2.39749      2.11577      5.76428         0.058710      0.088684     -0.064155
      0.16844      4.10538      2.67919         0.086197      0.033390      0.158079
      3.16085      7.76074      9.47777         0.028624      0.016960     -0.072920
      1.71750      8.16625      4.84559        -0.108207      0.082987     -0.141430
      2.48177     10.12175      5.97085         0.011277     -0.094796      0.111990
      3.64447     17.04375     20.45600        -0.104230      0.185329      0.082581
      5.68161     13.89479      2.50200         0.030637     -0.075110      0.051215
      5.67691     16.25246      2.98177        -0.014059      0.059122     -0.098140
      3.67091     19.45670     -0.06788        -0.014169      0.029108      0.049886
      5.63483     17.94153      3.50844        -0.096216      0.172806     -0.074364
      5.93103     20.17715      4.33839        -0.039411      0.144198      0.008607
      2.37915      5.73920     -0.09476        -0.094571     -0.057826      0.154532
      2.63581      3.41047      0.14671         0.108030     -0.004885     -0.140499
      5.31280      4.12307      3.44769        -0.089667     -0.263359     -0.051539
      0.50761     10.16658      0.74464         0.197843     -0.260606      0.202159
      4.79066      8.62404      2.48018         0.186030      0.098385      0.215912
      4.10381     10.84962      3.03784        -0.170383      0.087678     -0.364956
     19.97921     19.48282     15.63094         0.002489     -0.005670      0.017743
     16.57869     17.90600     12.30133         0.106668     -0.000026      0.075380
     17.14964     20.26487     12.42532        -0.068306      0.123733      0.053191
     20.22369      0.31929     15.84886        -0.026603      0.117279     -0.005762
     17.09594      0.87364     12.87022         0.044451     -0.085704      0.020959
     17.14121      3.28820     13.22179         0.114305     -0.090349      0.027564
      2.24667      6.72720     18.00213         0.028987      0.042847     -0.260098
      1.22097      4.78269     17.19430        -0.202840      0.150947      0.039551
     18.79835      6.93872     16.79416        -0.091484      0.084274     -0.038631
      4.52573     10.43196     19.80462        -0.260815     -0.198120     -0.085055
     -0.01897     10.75413     18.11630        -0.076570      0.014641      0.089120
      0.95559     12.66694     19.10508         0.167381     -0.237901     -0.106991
      0.63491     21.24550     12.90615        -0.099380      0.014609     -0.037349
      3.19889     18.05828     15.78464        -0.129699      0.077780      0.006041
      3.26872     20.45105     16.25659         0.015437      0.133010      0.107649
      0.96613      2.03104     13.22996        -0.029096      0.079599      0.112894
      3.05714      1.01647     16.90688        -0.011064     -0.011588     -0.075802
      3.68433      3.34599     17.23750        -0.037275     -0.033086     -0.226112
     19.91793      9.02447     13.81912        -0.150317     -0.166304      0.040804
     20.70925      6.88706     13.54177         0.048799     -0.214866      0.028029
      3.31926      8.23658     14.86338        -0.214362      0.037173     -0.092491
     17.89371     13.06304     14.09802         0.154716      0.107822      0.080247
      1.29283     12.49452     15.38717         0.097985      0.066626     -0.064135
      0.40131     14.65508     15.41625         0.045870      0.094909      0.112411
     17.35716      2.38080      7.85193        -0.013896     -0.026047     -0.021847
     15.21603      1.04306      3.52386         0.100366      0.065109     -0.001948
     15.18514      3.37098      4.21743         0.012659      0.098292      0.063507
     17.29393      4.69567      8.34704        -0.169862     -0.019974     -0.071409
     15.06275      5.08601      4.61114         0.089075     -0.078477     -0.000615
     15.22504      7.49228      4.73269         0.065470     -0.057946      0.083967
     20.05528     10.93148     11.07932         0.043266      0.033567      0.010879
     19.09878      9.02526     10.08241        -0.148060      0.181844      0.163259
     16.35466     11.56009      7.98308         0.207625     -0.037549      0.044912
      1.41940     14.54814     12.38094        -0.141675      0.038940     -0.143912
     18.19290     15.06308     10.56572        -0.022220     -0.038687      0.185090
     19.27224     16.96315     11.45452         0.062723      0.050113     -0.066290
     19.21753      4.57204      5.31808        -0.185836      0.008526     -0.095306
      0.06187      0.95808      8.02689        -0.086613     -0.040085      0.162113
     -0.18333      3.20712      8.98568        -0.017835      0.116575      0.136234
     19.11938      6.33181      5.96337         0.157577      0.061923      0.115056
     -0.41895      5.15864      9.75178        -0.041359      0.025781      0.014326
      0.08836      7.49701     10.27162         0.048705      0.011578     -0.121239
     18.37428     13.61529      4.85651        -0.133353     -0.017426      0.000618
     18.78213     11.30947      5.17898        -0.057655      0.071359      0.154812
      0.67274     12.30100      7.93842        -0.216181      0.098468     -0.162313
     17.52812     17.98124      3.93636         0.076345     -0.068420      0.073363
     20.08835     16.51606      7.82781         0.042358     -0.027082      0.080915
     19.19101     18.72320      7.82721        -0.046714     -0.086707      0.033504
     13.91920     19.23528     10.69767         0.009485     -0.224112     -0.021536
     19.44403     21.20247      3.42132        -0.010824      0.094146      0.157180
     12.92259      1.22856      2.66912         0.084249      0.086147      0.002594
     13.65138     11.46666      4.61454        -0.041128     -0.270895      0.212443
      9.60981      2.58002      2.73792        -0.050038      0.272841      0.072143
     10.40944     12.81734      5.22749        -0.073279     -0.047411     -0.183716
     10.30075      5.12502     16.08457        -0.021583      0.020879      0.145400
     10.86252     15.57766     17.85542         0.039430     -0.085310      0.172215
      7.08492      6.38434     15.37343         0.048174      0.070445      0.126722
      7.21945     16.68532     18.11316        -0.021717     -0.221498     -0.144753
      6.76267      8.87825      7.59126         0.073034      0.016972      0.084046
      7.55191     19.40503      9.21931         0.061385     -0.023023      0.145817
      3.44059     10.22649      8.66383         0.040510      0.030060     -0.218728
      4.06575     20.53800     10.36003         0.042598     -0.282393      0.148736
      1.77900     12.13557      1.87919        -0.221134      0.236801      0.252885
      1.20778      1.65387      3.35118         0.106732     -0.281733      0.032023
      3.48875     12.80198     20.28708        -0.117060      0.153450     -0.387203
      4.31625      2.02839      1.86331        -0.032681      0.064043     -0.063547
     19.12792     15.43369     14.68605         0.096658      0.016750      0.278562
     19.93837      4.55159     16.18079         0.147289     -0.214260      0.014555
      0.55235     17.02001     12.61463        -0.067496      0.201181     -0.206924
      1.97309      5.97267     14.31272        -0.182926     -0.002034     -0.011226
     17.54573     19.79866      5.94299        -0.022333      0.022094     -0.057592
     17.17316      8.93732      8.21446        -0.135679     -0.177990      0.069930
     19.58770      0.58662      4.20214        -0.006289      0.123099      0.209038
     20.41490     10.19224      7.05386        -0.110435     -0.131778     -0.162336
     12.44533      2.38733      4.68680         0.157540     -0.132855      0.099751
     13.70365      0.94494      0.45448         0.059109      0.141049     -0.117872
     13.22333      9.67101      6.11205         0.022946     -0.146618      0.393746
     14.01823     12.56062      2.54565         0.056925      0.157535     -0.178161
      9.48436      4.42495      1.25211         0.002674     -0.074831      0.042069
      9.52460      1.43317      4.80612         0.016744     -0.446722      0.249160
     10.20518     11.82798      3.08343        -0.043427      0.084954     -0.093660
     10.21329     12.97944      7.58001        -0.024099     -0.193886     -0.176232
     10.26307      6.23266     18.18537         0.036347     -0.181016     -0.006711
     10.82085      4.87579     13.77420        -0.076554      0.321427      0.480937
     10.76908     13.85311     19.47647         0.022350     -0.039594      0.350058
     11.05824     16.60126     15.73835        -0.016439      0.158949     -0.152161
      6.94527      8.20850     13.88026        -0.062725     -0.053485     -0.077867
      7.01387      5.25658     17.46695        -0.049821     -0.086720     -0.034539
      7.04925     15.79817     15.92886        -0.024338      0.080459     -0.036366
      7.11630     16.72533     20.47252        -0.064800     -0.278263     -0.425899
      6.96231     10.04118      9.64844        -0.015507     -0.087102      0.223578
      7.04739      8.58566      5.27530        -0.019110     -0.144985     -0.319349
      7.62058     17.69403     10.85389         0.029924     -0.113870      0.440487
      7.38780     20.42210      7.11231        -0.011463      0.264461     -0.315849
      3.29633     11.97673      7.08942        -0.029889     -0.000529     -0.327483
      3.85160      9.17694     10.76614         0.027886      0.027981      0.005055
      3.70404     19.45954      8.28650         0.140764     -0.044868      0.806433
      4.32030     20.76327     12.69658        -0.094231     -0.197144     -0.141847
      2.84514     13.18458      3.73102         0.430342     -0.148549      0.373052
     -0.03054     11.98307      0.32092        -0.094729     -0.112454     -0.178206
      2.36553      0.16885      4.81166         0.170568     -0.014610      0.320509
      0.07887      2.35008      1.40563        -0.177432      0.230185     -0.354964
      2.87198     14.58577     18.87410        -0.152234      0.063888     -0.069855
      4.87784     11.67088      0.56706         0.051299      0.106195     -0.018641
      3.19253      1.23323     -0.07218        -0.101600      0.099756     -0.172035
      5.77709      1.90004      3.71737         0.244220      0.251792      0.373357
     -0.62984     16.62528     16.09784         0.153181     -0.121601      0.172410
     17.14525     15.08028     13.44556         0.105145      0.172321     -0.003302
     -0.10277      2.81039     17.22026         0.060711      0.009330      0.125896
     18.38578      5.60927     14.77041        -0.131050      0.059220     -0.136754
     20.95436     18.83908     11.37007        -0.285411      0.093889     -0.261675
      1.98643     15.86890     14.12549        -0.020469      0.070828     -0.183615
      0.42984      4.93038     12.85951         0.497695     -0.080551      0.549436
      3.77083      6.16401     15.83471         0.443333      0.352697      0.346561
     18.25167     20.72320      8.01958         0.095953     -0.073152      0.183457
     16.18854     19.58387      4.01671        -0.008104      0.121548     -0.100121
     17.80179      7.26106      9.76987         0.142501     -0.148738      0.568604
     16.29622      9.88198      6.24369        -0.164588      0.204912     -0.141207
     18.64249      2.49706      3.25095        -0.261423      0.243015     -0.339254
     20.67740     20.37333      5.65293         0.088518     -0.051592      0.018637
     19.03181      9.22439      5.37767         0.320429     -0.061350      0.314864
      0.49649     10.27257      8.99649        -0.123395     -0.199812     -0.239842
     14.04717     17.33052      5.54458        -0.050149      0.083146     -0.031621
     16.01865     16.37858      5.72712         0.008444     -0.093875     -0.092339
     14.80693     16.06722      3.95427        -0.168494     -0.053538      0.139022
     11.76732     15.25781     11.48434         0.015823      0.055714     -0.072573
     11.44058     14.41529      9.49967        -0.014901     -0.028147      0.101043
     13.19682     13.81317     10.70290        -0.095227      0.029325      0.133055
     11.95609     18.01160      7.10034        -0.095988     -0.074075      0.129505
      9.94482     18.56603      6.41069        -0.058797     -0.099035      0.024918
     10.22798     16.86417      7.73957         0.028907     -0.002013     -0.057006
     13.51397     18.53812      0.18547         0.158084     -0.067527      0.156987
     14.23643     17.06794      1.63914        -0.159212      0.076204     -0.071246
     12.21788     16.93240      0.78479        -0.054951      0.086405      0.006308
     11.30594      0.17610     18.31202        -0.070127      0.015241     -0.147078
     13.07643     -0.60958     19.33886        -0.064124     -0.045269      0.076282
     12.55855     19.98525     17.31791         0.031719     -0.026440      0.311551
      8.24094     19.30260      3.25047         0.108610      0.121212     -0.016019
      7.67073     18.61875      1.25464         0.197319      0.124212      0.091120
      9.56945     17.99632      2.17152         0.118256      0.076635      0.093933
      7.57733      0.88476     20.14061        -0.121272     -0.159523      0.019561
      5.91986      1.08010     18.70006         0.046394      0.073966     -0.010067
      5.91179     20.76639     20.20310        -0.107224      0.026952     -0.021631
     10.55276      1.27227     13.45935        -0.077524     -0.067022      0.147723
     11.37144     -0.15149     14.88369         0.046321     -0.173901      0.254855
      9.37254     20.82142     14.03740        -0.029952      0.146464     -0.014864
      8.88804      3.84057      9.54918         0.027936     -0.058597     -0.017599
     10.38977      2.98645     10.90903        -0.137578     -0.069344     -0.035669
     10.15098      2.19931      8.88390         0.003422     -0.043096      0.098737
      6.05742      1.94509     16.21316         0.119914     -0.036067     -0.379506
      5.12304      1.21220     14.39729        -0.095894      0.053251     -0.050208
      7.09781      0.51767     14.94861         0.008159      0.049515      0.093750
      4.51660      5.09292     12.02265         0.019845      0.118678     -0.018864
      2.76737      3.82458     11.67837         0.165994      0.070441      0.014350
      4.38064      3.18990     13.02509        -0.118793      0.156866     -0.045476
      7.32861      4.53191      5.44448        -0.042651      0.043466     -0.108165
      7.55547      2.95213      6.92784         0.075269      0.310950     -0.148454
      5.56360      3.48598      6.13416        -0.064904      0.047671     -0.289527
     -0.58088      7.25781      4.60177         0.006204     -0.113377      0.032466
      0.78855      7.25026      2.96947         0.133179      0.090901     -0.072722
     -0.99916      5.93967      2.93517        -0.008917      0.077931     -0.007762
      3.06780      5.81017      9.90348        -0.078318      0.007705      0.112786
      1.68907      4.57668      8.78614        -0.094182      0.126994     -0.117723
      3.73669      4.75690      8.12128         0.291454      0.121878      0.064884
      6.18496      6.87096      3.55874        -0.152779      0.010464     -0.096566
      4.24903      7.59802      4.36206         0.112892     -0.041713     -0.201930
      4.97332      5.67144      4.94641        -0.021969      0.047348     -0.094079
     -0.21577      8.50595     20.96145        -0.161586     -0.042234      0.180368
      1.40781      7.16574     -0.85805        -0.065217      0.016039     -0.367284
      0.05728      6.61449      0.72970         0.191140      0.259364      0.032338
     19.46000      9.50981     19.22354         0.003490      0.116039      0.012599
     19.59138     10.26592     17.16178        -0.057959      0.074907     -0.002616
     18.14315      8.72547     17.67678         0.134041      0.048924      0.108881
      4.83591      8.35384     20.02911        -0.220781      0.115457     -0.313767
      3.66356      6.86253     19.04449        -0.013447      0.320391      0.094140
      4.69453      8.34657     17.81269        -0.196793     -0.091182      0.200362
      3.17596     11.63747     14.18953        -0.022153     -0.024095      0.075496
      2.62438     11.40647     16.29419         0.029136     -0.046250      0.094909
      4.07670     10.07719     15.41078         0.173013     -0.038837     -0.090518
     17.25001     11.26027     13.43457        -0.043340      0.025012      0.256594
     18.74040      9.89878     12.71515        -0.046483      0.090329     -0.027057
     18.08571      9.76667     14.80259        -0.038320      0.109727      0.009091
     16.24463     14.20498      9.84383         0.007109      0.035052     -0.088803
     17.88827     14.89332      8.55367         0.086280     -0.038587     -0.180146
     16.33489     13.65765      7.71341         0.125094     -0.001193      0.010902
      1.84815     12.59702     12.26021         0.087071      0.188782      0.100675
      0.42305     11.11726     11.72543         0.013683     -0.038365      0.084514
      1.41800     12.28242     10.15848        -0.048545      0.098797     -0.070779
      1.24751     15.78417      6.73234        -0.123841     -0.030140      0.070676
      0.25682     15.59553      8.69726         0.183808     -0.104892     -0.025853
      1.79068     14.18248      8.12107        -0.046063      0.101731     -0.193975
     17.85508     16.36924      2.50001         0.195013      0.081689      0.049842
     19.33218     14.84715      3.03855         0.078271      0.039172     -0.074315
     17.24914     14.69027      3.73555         0.089806      0.175432     -0.078654
 -----------------------------------------------------------------------------------
    total drift:                                0.011826      0.003681      0.005511


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4576.5184351423 eV

  energy  without entropy=    -4576.6701744582  energy(sigma->0) =    -4576.56901491
 
 d Force = 0.5489343E+00[ 0.223E+00, 0.875E+00]  d Energy = 0.5467449E+00 0.219E-02
 d Force = 0.7548341E+03[ 0.753E+03, 0.757E+03]  d Ewald  = 0.7548313E+03 0.283E-02


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.546745  1 .order   -0.548934   -0.875187   -0.222682
  (g-gl).g = 0.334E+01      g.g   = 0.340E+01  gl.gl    = 0.330E+01
 g(Force)  = 0.340E+01   g(Stress)= 0.000E+00 ortho     =-0.223E-01
 gamma     =   1.01154
 trial     =   0.25918
 opt step  =   0.35010  (harmonic =   0.34763) maximal distance =0.06037217
 next E    = -4576.557400   (d E  =  -0.58571)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   77(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3160
 total energy-change (2. order) : 0.1200632E+00  (-0.7927575E+01)
 number of electron    2498.0000075 magnetization 
 augmentation part      162.6759392 magnetization 

  free energy =  -0.457639836732E+04  energy without entropy=  -0.457654972381E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   77(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3488
 total energy-change (2. order) :-0.1617429E+00  (-0.1977839E+00)
 number of electron    2498.0000075 magnetization 
 augmentation part      162.6795990 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8795
  0.8795

  free energy =  -0.457656011022E+04  energy without entropy=  -0.457671138017E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   77(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3664
 total energy-change (2. order) : 0.4399380E-02  (-0.4031242E-02)
 number of electron    2498.0000075 magnetization 
 augmentation part      162.6739340 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4292
  1.0809  1.7776

  free energy =  -0.457655571084E+04  energy without entropy=  -0.457670746437E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   77(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) :-0.1693807E-02  (-0.3304185E-02)
 number of electron    2498.0000075 magnetization 
 augmentation part      162.6720066 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2879
  2.2036  0.8301  0.8301

  free energy =  -0.457655740465E+04  energy without entropy=  -0.457670876550E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   77(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3712
 total energy-change (2. order) :-0.1795600E-03  (-0.6546500E-03)
 number of electron    2498.0000075 magnetization 
 augmentation part      162.6725294 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3239
  2.3927  1.0020  1.0020  0.8991

  free energy =  -0.457655758421E+04  energy without entropy=  -0.457670940076E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   77(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) : 0.2600237E-03  (-0.3459859E-03)
 number of electron    2498.0000075 magnetization 
 augmentation part      162.6714952 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2456
  2.3988  1.0509  1.0509  0.8637  0.8637

  free energy =  -0.457655732418E+04  energy without entropy=  -0.457670880581E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   77(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3520
 total energy-change (2. order) :-0.1342435E-04  (-0.6647141E-04)
 number of electron    2498.0000075 magnetization 
 augmentation part      162.6716168 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2232
  2.3916  0.9619  0.9619  1.2004  1.2004  0.6226

  free energy =  -0.457655733761E+04  energy without entropy=  -0.457670918984E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   77(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) : 0.1664468E-04  (-0.9399181E-05)
 number of electron    2498.0000075 magnetization 
 augmentation part      162.6722020 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2228
  2.4597  1.0595  1.0595  1.3573  1.2137  0.8279  0.5819

  free energy =  -0.457655732096E+04  energy without entropy=  -0.457670902750E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   77(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3192
 total energy-change (2. order) :-0.3221794E-05  (-0.6690320E-05)
 number of electron    2498.0000075 magnetization 
 augmentation part      162.6722020 magnetization 

  free energy =  -0.457655732418E+04  energy without entropy=  -0.457670903821E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0588       2 -56.1130       3 -56.0036       4 -55.8443       5 -55.8290
       6 -56.2880       7 -58.1480       8 -58.2261       9 -56.2500      10 -55.9171
      11 -56.0035      12 -55.7961      13 -55.7955      14 -55.9657      15 -58.0791
      16 -58.1252      17 -56.3393      18 -54.9847      19 -54.8494      20 -55.0530
      21 -55.6259      22 -55.5582      23 -55.5856      24 -55.6040      25 -55.0203
      26 -54.7263      27 -54.9132      28 -54.9474      29 -60.3921      30 -60.3609
      31 -55.6936      32 -55.8124      33 -55.7253      34 -55.4228      35 -55.5274
      36 -56.0161      37 -57.8376      38 -57.9623      39 -56.1051      40 -55.8061
      41 -55.9259      42 -55.6940      43 -55.7527      44 -55.9247      45 -58.0883
      46 -58.1322      47 -56.4720      48 -55.1509      49 -54.9385      50 -55.2931
      51 -55.8868      52 -55.8374      53 -55.7532      54 -55.7434      55 -55.0627
      56 -54.8439      57 -54.9892      58 -56.3711      59 -60.3474      60 -60.6140
      61 -55.9596      62 -56.0122      63 -55.8910      64 -55.7694      65 -55.7383
      66 -56.1981      67 -58.0426      68 -58.1484      69 -56.1702      70 -55.8529
      71 -55.9531      72 -55.6730      73 -55.6782      74 -55.9079      75 -58.0430
      76 -58.0790      77 -56.3182      78 -55.0672      79 -54.8840      80 -55.1825
      81 -55.7998      82 -55.7958      83 -55.8572      84 -55.8986      85 -55.2688
      86 -54.9890      87 -55.1893      88 -56.3818      89 -60.6499      90 -60.3797
      91 -55.7481      92 -55.8608      93 -55.7768      94 -55.5383      95 -55.5968
      96 -56.1185      97 -57.9511      98 -57.9960      99 -56.2145     100 -55.9073
     101 -56.0462     102 -55.7175     103 -55.7908     104 -56.0099     105 -58.1218
     106 -58.1615     107 -56.4397     108 -55.1874     109 -54.9618     110 -55.3804
     111 -55.8902     112 -55.8457     113 -55.7538     114 -55.7642     115 -55.0369
     116 -54.8574     117 -55.0378     118 -56.3223     119 -60.4339     120 -60.5997
     121 -55.9700     122 -55.9818     123 -55.8529     124 -55.7863     125 -55.7807
     126 -56.2050     127 -58.0997     128 -58.1776     129 -56.1687     130 -55.7937
     131 -55.8894     132 -55.7086     133 -55.6203     134 -55.8085     135 -57.9067
     136 -58.0395     137 -56.3651     138 -55.0677     139 -54.9030     140 -55.3244
     141 -55.8781     142 -55.8057     143 -55.8757     144 -55.8738     145 -55.2092
     146 -55.0740     147 -55.2575     148 -56.3994     149 -60.5083     150 -60.5598
     151 -55.6596     152 -55.7128     153 -55.5617     154 -55.4305     155 -55.4595
     156 -55.9190     157 -57.9390     158 -57.9086     159 -56.0157     160 -55.7571
     161 -55.9288     162 -55.5574     163 -55.5874     164 -55.8061     165 -57.9631
     166 -58.0465     167 -56.3678     168 -55.0239     169 -54.7833     170 -55.1968
     171 -55.8329     172 -55.8644     173 -55.8567     174 -55.7891     175 -55.3033
     176 -54.9687     177 -55.0948     178 -56.4925     179 -60.4634     180 -60.5714
     181 -55.8344     182 -56.0456     183 -55.9190     184 -55.6209     185 -55.6524
     186 -56.2142     187 -57.9731     188 -58.2401     189 -56.2460     190 -55.8552
     191 -56.0057     192 -55.7344     193 -55.7094     194 -55.9205     195 -58.0247
     196 -58.1662     197 -56.4895     198 -55.0652     199 -54.8983     200 -55.2684
     201 -55.8234     202 -55.8326     203 -55.9080     204 -55.8711     205 -55.1336
     206 -55.1966     207 -55.2196     208 -56.4799     209 -60.6939     210 -60.4717
     211 -55.9844     212 -56.0309     213 -55.9219     214 -55.7986     215 -55.7647
     216 -56.2814     217 -58.1416     218 -58.1464     219 -56.1346     220 -55.8112
     221 -55.9039     222 -55.5607     223 -55.4960     224 -55.7901     225 -57.9563
     226 -58.0864     227 -56.4967     228 -55.0577     229 -54.9307     230 -55.2509
     231 -55.7760     232 -55.7791     233 -55.7284     234 -55.7397     235 -55.0094
     236 -55.0878     237 -55.2363     238 -56.4474     239 -60.3675     240 -60.4160
     241 -55.9905     242 -56.0186     243 -55.9007     244 -55.7741     245 -55.7642
     246 -56.2057     247 -58.0730     248 -58.1615     249 -56.1974     250 -55.8784
     251 -55.9814     252 -55.7517     253 -55.7526     254 -55.9322     255 -58.0042
     256 -58.0394     257 -56.3528     258 -55.0832     259 -54.8595     260 -55.2443
     261 -55.8010     262 -55.7979     263 -55.9079     264 -55.9654     265 -55.3171
     266 -54.9868     267 -55.2214     268 -56.3921     269 -60.6084     270 -60.3755
     271 -55.8675     272 -55.9293     273 -55.7850     274 -55.6772     275 -55.6174
     276 -56.0465     277 -58.0786     278 -58.1220     279 -55.9463     280 -55.6641
     281 -55.7792     282 -55.5291     283 -55.5529     284 -55.8147     285 -58.0788
     286 -57.9019     287 -56.3786     288 -55.0435     289 -54.8504     290 -55.2156
     291 -55.8232     292 -55.7771     293 -55.8348     294 -55.8413     295 -55.2131
     296 -54.9522     297 -55.0469     298 -56.4176     299 -60.4947     300 -60.5463
     301 -55.8809     302 -56.0146     303 -55.9215     304 -55.6405     305 -55.6760
     306 -56.1910     307 -58.0488     308 -58.2263     309 -56.2248     310 -55.8960
     311 -55.9727     312 -55.7008     313 -55.6797     314 -55.8745     315 -57.9549
     316 -58.0947     317 -56.3551     318 -54.9888     319 -54.7968     320 -55.2502
     321 -55.7598     322 -55.7176     323 -55.8505     324 -55.8762     325 -55.2036
     326 -55.0662     327 -55.2293     328 -56.4057     329 -60.5427     330 -60.4311
     331 -55.7235     332 -55.7553     333 -55.6228     334 -55.5505     335 -55.5311
     336 -55.9683     337 -57.9247     338 -57.9142     339 -55.8961     340 -55.6137
     341 -55.7596     342 -55.4845     343 -55.5101     344 -55.7598     345 -57.9212
     346 -57.9502     347 -56.4688     348 -55.0103     349 -54.9389     350 -55.2929
     351 -55.8017     352 -55.7545     353 -55.7334     354 -55.7374     355 -55.1795
     356 -54.9141     357 -55.0031     358 -56.4101     359 -60.4569     360 -60.5311
     361 -39.0508     362 -38.8074     363 -38.9746     364 -39.0009     365 -38.9524
     366 -38.7148     367 -38.1135     368 -38.0913     369 -38.0074     370 -38.1128
     371 -38.1205     372 -38.1733     373 -38.6547     374 -38.3076     375 -38.7028
     376 -38.7938     377 -38.8337     378 -38.7395     379 -38.1900     380 -38.1417
     381 -38.2309     382 -37.9805     383 -38.2506     384 -38.0074     385 -38.8968
     386 -38.7980     387 -38.9177     388 -38.8726     389 -38.8408     390 -38.5668
     391 -38.2027     392 -38.3158     393 -38.1563     394 -38.1748     395 -38.1940
     396 -38.2810     397 -38.7361     398 -38.4505     399 -38.8069     400 -38.8499
     401 -38.8289     402 -38.7479     403 -38.2370     404 -38.1808     405 -38.4507
     406 -38.0526     407 -38.1470     408 -37.8858     409 -38.7532     410 -38.7852
     411 -38.9787     412 -38.7269     413 -38.9274     414 -38.6521     415 -38.2888
     416 -38.2098     417 -38.2548     418 -38.1964     419 -38.2721     420 -38.3066
     421 -38.5970     422 -38.3559     423 -38.6085     424 -38.6833     425 -38.5914
     426 -38.5906     427 -38.2433     428 -38.0034     429 -38.2885     430 -38.1818
     431 -38.1039     432 -37.9931     433 -38.7462     434 -38.7108     435 -38.8501
     436 -38.6469     437 -38.9604     438 -38.6605     439 -38.3506     440 -38.0624
     441 -38.1237     442 -38.1223     443 -38.2673     444 -38.0844     445 -38.8891
     446 -38.9036     447 -38.9588     448 -38.6905     449 -38.7500     450 -38.3707
     451 -38.0362     452 -37.9872     453 -38.1660     454 -37.9242     455 -38.2610
     456 -38.1768     457 -38.9217     458 -38.7002     459 -38.9258     460 -38.8783
     461 -38.8965     462 -38.6944     463 -38.1847     464 -38.2283     465 -38.3013
     466 -38.3572     467 -38.1401     468 -38.2589     469 -38.8466     470 -38.6548
     471 -38.7642     472 -38.7200     473 -38.6100     474 -38.4760     475 -38.2964
     476 -38.0843     477 -38.1494     478 -38.1062     479 -38.1673     480 -38.0348
     481 -38.8546     482 -38.7465     483 -38.9090     484 -38.8361     485 -38.9341
     486 -38.7347     487 -38.1397     488 -38.1467     489 -38.2109     490 -38.2480
     491 -38.2182     492 -38.4041     493 -38.8044     494 -38.5381     495 -38.6433
     496 -38.6885     497 -38.4774     498 -38.4646     499 -38.1808     500 -37.9102
     501 -38.1528     502 -38.1172     503 -38.1153     504 -37.9897     505 -38.2038
     506 -41.0931     507 -71.6684     508 -71.5671     509 -71.3170     510 -71.5925
     511 -71.5396     512 -71.4683     513 -71.4084     514 -71.5647     515 -71.6070
     516 -71.4212     517 -71.4187     518 -71.5204     519 -71.5018     520 -71.5604
     521 -71.5379     522 -71.4671     523 -71.5383     524 -71.4690     525 -71.5127
     526 -71.4280     527 -71.5965     528 -71.4672     529 -71.1398     530 -71.5309
     531 -76.8876     532 -76.8170     533 -76.8471     534 -76.7621     535 -76.6016
     536 -76.5619     537 -76.8088     538 -76.7474     539 -76.8395     540 -76.6713
     541 -76.7882     542 -76.7238     543 -76.6267     544 -76.7070     545 -76.8279
     546 -76.7365     547 -76.8370     548 -76.7844     549 -76.7434     550 -76.5866
     551 -76.5922     552 -76.6285     553 -76.5970     554 -76.6513     555 -76.9190
     556 -76.6888     557 -76.8542     558 -76.7097     559 -76.8126     560 -76.8241
     561 -76.7160     562 -76.6358     563 -76.8512     564 -76.7156     565 -76.6997
     566 -76.6634     567 -76.8566     568 -76.7572     569 -76.4832     570 -76.8540
     571 -76.8995     572 -76.7534     573 -76.8243     574 -76.6309     575 -76.5846
     576 -76.5703     577 -76.5759     578 -76.4756     579 -82.3702     580 -82.2265
     581 -82.2529     582 -82.4057     583 -82.2746     584 -82.2564     585 -82.4168
     586 -82.4925     587 -82.6110     588 -82.2011     589 -82.0773     590 -82.2914
     591 -82.3761     592 -82.1892     593 -82.1916     594 -82.6698     595 -82.3795
     596 -82.6131     597 -82.4330     598 -82.4710     599 -82.6351     600 -82.1718
     601 -82.2246     602 -82.4053     603 -82.4401     604 -82.3533     605 -82.5587
     606 -82.3295     607 -82.3309     608 -82.4430     609 -82.7218     610 -82.2735
     611 -82.4112     612 -82.5338     613 -82.2567     614 -82.2848     615 -82.4387
     616 -82.5467     617 -82.4339     618 -82.6959     619 -82.5702     620 -82.6951
     621 -82.2085     622 -82.4239     623 -82.2865     624 -82.3637     625 -82.2568
     626 -82.2176     627 -82.2806     628 -82.2705     629 -82.2399     630 -82.3418
     631 -82.5893     632 -82.3338     633 -82.4213     634 -82.4339     635 -82.5456
     636 -82.3708     637 -82.3785     638 -82.2673     639 -82.2218     640 -82.4136
     641 -82.4104     642 -82.3993     643 -82.5424     644 -82.3124     645 -82.4061
     646 -82.3791     647 -82.5243     648 -82.3874     649 -82.3614     650 -82.2454
 
 
 
 E-fermi :  -1.4676     XC(G=0):  -6.5278     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.1095      2.00000
      2     -28.9254      2.00000
      3     -28.8937      2.00000
      4     -28.8787      2.00000
      5     -28.8508      2.00000
      6     -28.8254      2.00000
      7     -28.8119      2.00000
      8     -28.8115      2.00000
      9     -28.7659      2.00000
     10     -28.7414      2.00000
     11     -28.7129      2.00000
     12     -28.7104      2.00000
     13     -28.7022      2.00000
     14     -28.6750      2.00000
     15     -28.6721      2.00000
     16     -28.6673      2.00000
     17     -28.6638      2.00000
     18     -28.6315      2.00000
     19     -28.5998      2.00000
     20     -28.5872      2.00000
     21     -28.5783      2.00000
     22     -28.5696      2.00000
     23     -28.5519      2.00000
     24     -28.4996      2.00000
     25     -26.8559      2.00000
     26     -26.6738      2.00000
     27     -26.6583      2.00000
     28     -26.6443      2.00000
     29     -26.6210      2.00000
     30     -26.5989      2.00000
     31     -26.5795      2.00000
     32     -26.5565      2.00000
     33     -26.5385      2.00000
     34     -26.5155      2.00000
     35     -26.5085      2.00000
     36     -26.5082      2.00000
     37     -26.5029      2.00000
     38     -26.4826      2.00000
     39     -26.4765      2.00000
     40     -26.4754      2.00000
     41     -26.4749      2.00000
     42     -26.4743      2.00000
     43     -26.4665      2.00000
     44     -26.4610      2.00000
     45     -26.4283      2.00000
     46     -26.4209      2.00000
     47     -26.4133      2.00000
     48     -26.4120      2.00000
     49     -26.4071      2.00000
     50     -26.3939      2.00000
     51     -26.3929      2.00000
     52     -26.3791      2.00000
     53     -26.3745      2.00000
     54     -26.3717      2.00000
     55     -26.3484      2.00000
     56     -26.3470      2.00000
     57     -26.3393      2.00000
     58     -26.3381      2.00000
     59     -26.3377      2.00000
     60     -26.3219      2.00000
     61     -26.3182      2.00000
     62     -26.3056      2.00000
     63     -26.2777      2.00000
     64     -26.2660      2.00000
     65     -26.2632      2.00000
     66     -26.2556      2.00000
     67     -26.2463      2.00000
     68     -26.2305      2.00000
     69     -26.2281      2.00000
     70     -26.2084      2.00000
     71     -26.1771      2.00000
     72     -26.1656      2.00000
     73     -23.2618      2.00000
     74     -23.2201      2.00000
     75     -23.2190      2.00000
     76     -23.2177      2.00000
     77     -23.2079      2.00000
     78     -23.2046      2.00000
     79     -23.1906      2.00000
     80     -23.1885      2.00000
     81     -23.1799      2.00000
     82     -23.1660      2.00000
     83     -23.1531      2.00000
     84     -23.1451      2.00000
     85     -23.1358      2.00000
     86     -23.1347      2.00000
     87     -23.1295      2.00000
     88     -23.1014      2.00000
     89     -23.0799      2.00000
     90     -23.0389      2.00000
     91     -23.0255      2.00000
     92     -23.0236      2.00000
     93     -22.9845      2.00000
     94     -22.9839      2.00000
     95     -22.9473      2.00000
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   1240      -1.7187      2.07064
   1241      -1.7150      2.07087
   1242      -1.7008      2.06976
   1243      -1.6711      2.05372
   1244      -1.6466      2.02109
   1245      -1.6299      1.98593
   1246      -1.6201      1.95968
   1247      -1.6150      1.94419
   1248      -1.6007      1.89466
   1249      -1.5841      1.82410
   1250       0.1487     -0.00000
   1251       0.1746     -0.00000
   1252       0.2103     -0.00000
   1253       0.2499     -0.00000
   1254       0.2627     -0.00000
   1255       0.2811     -0.00000
   1256       0.3074     -0.00000
   1257       0.3101     -0.00000
   1258       0.3459     -0.00000
   1259       0.3605     -0.00000
   1260       0.3916     -0.00000
   1261       0.4249     -0.00000
   1262       0.6422     -0.00000
   1263       0.6605     -0.00000
   1264       0.6751     -0.00000
   1265       0.7219     -0.00000
   1266       0.7461     -0.00000
   1267       0.7544     -0.00000
   1268       0.7756     -0.00000
   1269       0.8059     -0.00000
   1270       0.8227     -0.00000
   1271       0.8265     -0.00000
   1272       0.8707     -0.00000
   1273       0.8740     -0.00000
   1274       0.8883     -0.00000
   1275       0.9183     -0.00000
   1276       0.9250     -0.00000
   1277       0.9421     -0.00000
   1278       0.9687     -0.00000
   1279       1.0048     -0.00000
   1280       1.0099     -0.00000
   1281       1.0288     -0.00000
   1282       1.0592     -0.00000
   1283       1.1165     -0.00000
   1284       1.1274     -0.00000
   1285       1.2054     -0.00000
   1286       1.2494     -0.00000
   1287       1.2667     -0.00000
   1288       1.3255     -0.00000
   1289       1.3815     -0.00000
   1290       1.4095     -0.00000
   1291       1.4658     -0.00000
   1292       1.5145     -0.00000
   1293       1.5297     -0.00000
   1294       1.5710     -0.00000
   1295       1.5982     -0.00000
   1296       1.6249     -0.00000
   1297       1.6707     -0.00000
   1298       1.8295     -0.00000
   1299       1.8678     -0.00000
   1300       1.8776     -0.00000
   1301       1.9068     -0.00000
   1302       1.9256     -0.00000
   1303       1.9469     -0.00000
   1304       1.9953     -0.00000
   1305       2.0058     -0.00000
   1306       2.0282     -0.00000
   1307       2.0497     -0.00000
   1308       2.0702     -0.00000
   1309       2.1055     -0.00000
   1310       2.1250     -0.00000
   1311       2.1396     -0.00000
   1312       2.1564     -0.00000
   1313       2.1652     -0.00000
   1314       2.1899     -0.00000
   1315       2.1962     -0.00000
   1316       2.2178     -0.00000
   1317       2.2322     -0.00000
   1318       2.2403     -0.00000
   1319       2.2471     -0.00000
   1320       2.2627     -0.00000
   1321       2.3541     -0.00000
   1322       2.4439     -0.00000
   1323       2.4591     -0.00000
   1324       2.4619     -0.00000
   1325       2.4883     -0.00000
   1326       2.5065     -0.00000
   1327       2.5162     -0.00000
   1328       2.5266     -0.00000
   1329       2.5515     -0.00000
   1330       2.5558     -0.00000
   1331       2.5595     -0.00000
   1332       2.5713     -0.00000
   1333       2.5964     -0.00000
   1334       2.6027     -0.00000
   1335       2.6331     -0.00000
   1336       2.6431     -0.00000
   1337       2.6502     -0.00000
   1338       2.6556     -0.00000
   1339       2.6641     -0.00000
   1340       2.6686     -0.00000
   1341       2.6840     -0.00000
   1342       2.7034     -0.00000
   1343       2.7403     -0.00000
   1344       2.7700     -0.00000
   1345       2.7912     -0.00000
   1346       2.9541     -0.00000
   1347       2.9773     -0.00000
   1348       3.0051     -0.00000
   1349       3.0124     -0.00000
   1350       3.0354     -0.00000
   1351       3.0513     -0.00000
   1352       3.0653     -0.00000
   1353       3.0771     -0.00000
   1354       3.1121     -0.00000
   1355       3.1333     -0.00000
   1356       3.1434     -0.00000
   1357       3.1563     -0.00000
   1358       3.1592     -0.00000
   1359       3.1849     -0.00000
   1360       3.2152     -0.00000
   1361       3.2545     -0.00000
   1362       3.3058     -0.00000
   1363       3.4374     -0.00000
   1364       3.5262     -0.00000
   1365       3.5482     -0.00000
   1366       3.5950     -0.00000
   1367       3.6429     -0.00000
   1368       3.7004     -0.00000
   1369       3.7140     -0.00000
   1370       3.7549     -0.00000
   1371       3.7889     -0.00000
   1372       3.8025     -0.00000
   1373       3.8472     -0.00000
   1374       3.8518     -0.00000
   1375       3.8636      0.00000
   1376       3.8885      0.00000
   1377       3.9058      0.00000
   1378       3.9234      0.00000
   1379       3.9298      0.00000
   1380       3.9424      0.00000
   1381       3.9517      0.00000
   1382       3.9605      0.00000
   1383       3.9683      0.00000
   1384       3.9833      0.00000
   1385       3.9977      0.00000
   1386       4.0163      0.00000
   1387       4.0174      0.00000
   1388       4.0312      0.00000
   1389       4.0463      0.00000
   1390       4.0561      0.00000
   1391       4.0731      0.00000
   1392       4.0792      0.00000
   1393       4.0964      0.00000
   1394       4.1096      0.00000
   1395       4.1128      0.00000
   1396       4.1303      0.00000
   1397       4.1519      0.00000
   1398       4.1572      0.00000
   1399       4.1601      0.00000
   1400       4.1823      0.00000
   1401       4.1959      0.00000
   1402       4.2089      0.00000
   1403       4.2214      0.00000
   1404       4.2265      0.00000
   1405       4.2448      0.00000
   1406       4.2464      0.00000
   1407       4.2587      0.00000
   1408       4.2972      0.00000
   1409       4.3159      0.00000
   1410       4.3302      0.00000
   1411       4.3347      0.00000
   1412       4.3514      0.00000
   1413       4.3583      0.00000
   1414       4.3680      0.00000
   1415       4.3935      0.00000
   1416       4.4005      0.00000
   1417       4.4117      0.00000
   1418       4.4233      0.00000
   1419       4.4314      0.00000
   1420       4.4406      0.00000
   1421       4.4579      0.00000
   1422       4.4700      0.00000
   1423       4.4746      0.00000
   1424       4.5041      0.00000
   1425       4.5250      0.00000
   1426       4.5337      0.00000
   1427       4.5427      0.00000
   1428       4.5574      0.00000
   1429       4.5910      0.00000
   1430       4.6087      0.00000
   1431       4.6328      0.00000
   1432       4.6467      0.00000
   1433       4.6731      0.00000
   1434       4.7047      0.00000
   1435       4.7343      0.00000
   1436       4.7711      0.00000
   1437       4.7871      0.00000
   1438       4.8025      0.00000
   1439       4.8234      0.00000
   1440       4.8394      0.00000
   1441       4.8655      0.00000
   1442       4.8706      0.00000
   1443       4.9160      0.00000
   1444       4.9191      0.00000
   1445       4.9221      0.00000
   1446       4.9424      0.00000
   1447       4.9569      0.00000
   1448       4.9757      0.00000
   1449       4.9986      0.00000
   1450       5.0118      0.00000
   1451       5.0356      0.00000
   1452       5.0428      0.00000
   1453       5.0623      0.00000
   1454       5.0729      0.00000
   1455       5.0882      0.00000
   1456       5.0968      0.00000
   1457       5.1178      0.00000
   1458       5.1406      0.00000
   1459       5.1438      0.00000
   1460       5.1638      0.00000
   1461       5.1890      0.00000
   1462       5.2007      0.00000
   1463       5.2184      0.00000
   1464       5.2391      0.00000
   1465       5.2520      0.00000
   1466       5.2535      0.00000
   1467       5.2655      0.00000
   1468       5.2786      0.00000
   1469       5.2858      0.00000
   1470       5.2994      0.00000
   1471       5.3108      0.00000
   1472       5.3256      0.00000
   1473       5.3329      0.00000
   1474       5.3484      0.00000
   1475       5.3579      0.00000
   1476       5.3605      0.00000
   1477       5.3675      0.00000
   1478       5.3805      0.00000
   1479       5.3843      0.00000
   1480       5.3922      0.00000
   1481       5.4039      0.00000
   1482       5.4109      0.00000
   1483       5.4246      0.00000
   1484       5.4283      0.00000
   1485       5.4409      0.00000
   1486       5.4481      0.00000
   1487       5.4518      0.00000
   1488       5.4587      0.00000
   1489       5.4732      0.00000
   1490       5.4879      0.00000
   1491       5.4961      0.00000
   1492       5.4972      0.00000
   1493       5.5092      0.00000
   1494       5.5154      0.00000
   1495       5.5200      0.00000
   1496       5.5232      0.00000
   1497       5.5345      0.00000
   1498       5.5458      0.00000
   1499       5.5489      0.00000
   1500       5.5566      0.00000
   1501       5.5676      0.00000
   1502       5.5824      0.00000
   1503       5.5910      0.00000
   1504       5.5978      0.00000
   1505       5.6122      0.00000
   1506       5.6141      0.00000
   1507       5.6269      0.00000
   1508       5.6309      0.00000
   1509       5.6387      0.00000
   1510       5.6429      0.00000
   1511       5.6573      0.00000
   1512       5.6632      0.00000
   1513       5.6737      0.00000
   1514       5.6882      0.00000
   1515       5.6942      0.00000
   1516       5.7087      0.00000
   1517       5.7114      0.00000
   1518       5.7204      0.00000
   1519       5.7301      0.00000
   1520       5.7402      0.00000
   1521       5.7489      0.00000
   1522       5.7614      0.00000
   1523       5.7700      0.00000
   1524       5.7757      0.00000
   1525       5.7984      0.00000
   1526       5.8044      0.00000
   1527       5.8155      0.00000
   1528       5.8186      0.00000
   1529       5.8373      0.00000
   1530       5.8404      0.00000
   1531       5.8486      0.00000
   1532       5.8504      0.00000
   1533       5.8667      0.00000
   1534       5.8710      0.00000
   1535       5.8822      0.00000
   1536       5.8859      0.00000
   1537       5.9006      0.00000
   1538       5.9103      0.00000
   1539       5.9203      0.00000
   1540       5.9271      0.00000
   1541       5.9502      0.00000
   1542       5.9647      0.00000
   1543       5.9688      0.00000
   1544       5.9797      0.00000
   1545       5.9820      0.00000
   1546       5.9919      0.00000
   1547       6.0004      0.00000
   1548       6.0088      0.00000
   1549       6.0193      0.00000
   1550       6.0293      0.00000
   1551       6.0331      0.00000
   1552       6.0407      0.00000
   1553       6.0475      0.00000
   1554       6.0582      0.00000
   1555       6.0642      0.00000
   1556       6.0718      0.00000
   1557       6.0863      0.00000
   1558       6.0989      0.00000
   1559       6.1003      0.00000
   1560       6.1092      0.00000
   1561       6.1215      0.00000
   1562       6.1245      0.00000
   1563       6.1408      0.00000
   1564       6.1440      0.00000
   1565       6.1518      0.00000
   1566       6.1602      0.00000
   1567       6.1781      0.00000
   1568       6.1900      0.00000
   1569       6.1944      0.00000
   1570       6.2049      0.00000
   1571       6.2151      0.00000
   1572       6.2210      0.00000
   1573       6.2279      0.00000
   1574       6.2307      0.00000
   1575       6.2375      0.00000
   1576       6.2569      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.088  13.413  -0.001   0.001  -0.000   0.002  -0.004   0.001
 13.413  17.832  -0.001   0.002  -0.000   0.002  -0.006   0.001
 -0.001  -0.001  -4.234   0.003   0.001   8.282  -0.004  -0.001
  0.001   0.002   0.003  -4.234   0.001  -0.004   8.281  -0.001
 -0.000  -0.000   0.001   0.001  -4.227  -0.001  -0.001   8.273
  0.002   0.002   8.282  -0.004  -0.001 -18.330   0.007   0.001
 -0.004  -0.006  -0.004   8.281  -0.001   0.007 -18.326   0.000
  0.001   0.001  -0.001  -0.001   8.273   0.001   0.000 -18.320
 total augmentation occupancy for first ion, spin component:           1
  8.378  -3.764   0.181   0.147  -0.062   0.023   0.027  -0.010
 -3.764   1.763  -0.093  -0.100   0.037  -0.010  -0.016   0.005
  0.181  -0.093   1.765  -0.061  -0.039   0.167  -0.012  -0.007
  0.147  -0.100  -0.061   1.891  -0.094  -0.012   0.176  -0.013
 -0.062   0.037  -0.039  -0.094   1.226  -0.007  -0.013   0.080
  0.023  -0.010   0.167  -0.012  -0.007   0.017  -0.002  -0.001
  0.027  -0.016  -0.012   0.176  -0.013  -0.002   0.018  -0.002
 -0.010   0.005  -0.007  -0.013   0.080  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -49450.97056 85985.63065 20177.22030 -9715.35068  6126.20049 18386.99701
  Hartree  6305.56247112923.81953 58017.10649-10163.04726  4114.64122 12606.15095
  E(xc)  -10734.87091-10587.09672-10628.98090     2.80314     8.22616    33.73934
  Local    9710.67746************************ 19877.48999-10262.36860-30380.46532
  n-local -5840.85754 -5981.02036 -6035.50564     5.37781    16.97681   -66.69146
  augment  1493.92964  1534.65261  1487.69972     4.41318    12.37183    -3.87378
  Kinetic 45483.67997 43251.04914 43652.80929   -34.01248   -67.90149  -583.72353
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -124.9907559   -391.6335441   -159.1679255    -22.3262952    -51.8535700     -7.8667800
  in kB      -20.8432090    -65.3080283    -26.5425256     -3.7230884     -8.6469978     -1.3118485
  external PRESSURE =     -37.5645876 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.224E+03 -.104E+03 0.242E+03   0.224E+03 0.105E+03 -.244E+03   -.219E+00 -.641E+00 0.149E+01   0.124E-02 0.269E-04 -.620E-03
   -.180E+03 -.131E+03 0.593E+02   0.180E+03 0.132E+03 -.590E+02   0.306E+00 -.118E+01 -.373E+00   0.593E-03 -.199E-03 -.326E-03
   -.148E+03 -.122E+03 0.523E+01   0.148E+03 0.124E+03 -.356E+01   0.359E+00 -.123E+01 -.158E+01   0.412E-03 -.739E-04 -.167E-03
   -.207E+03 -.900E+02 0.329E+03   0.208E+03 0.899E+02 -.331E+03   -.261E+00 -.106E+00 0.252E+01   0.157E-02 -.137E-03 -.105E-02
   -.156E+03 -.145E+03 0.293E+03   0.156E+03 0.145E+03 -.294E+03   0.190E+00 -.844E+00 0.112E+01   0.126E-02 -.836E-04 -.107E-02
   -.135E+03 -.110E+03 0.167E+03   0.135E+03 0.110E+03 -.168E+03   0.747E-01 -.123E+00 0.112E+00   0.742E-03 -.129E-03 -.417E-03
   -.225E+03 -.133E+03 0.169E+03   0.225E+03 0.137E+03 -.170E+03   0.391E+00 -.452E+01 0.954E+00   0.111E-02 0.688E-04 -.939E-04
   -.179E+03 -.101E+03 0.313E+02   0.180E+03 0.105E+03 -.334E+02   -.661E+00 -.397E+01 0.204E+01   0.169E-03 -.331E-03 -.182E-03
   -.939E+02 0.372E+01 0.194E+03   0.938E+02 -.368E+01 -.194E+03   0.169E+00 0.357E-01 0.517E-01   0.527E-03 -.224E-03 -.296E-03
   -.769E+02 0.882E+02 0.609E+02   0.765E+02 -.898E+02 -.597E+02   0.287E+00 0.147E+01 -.116E+01   0.191E-03 -.262E-03 0.212E-03
   -.780E+02 0.102E+03 0.130E+03   0.777E+02 -.103E+03 -.130E+03   0.340E+00 0.953E+00 0.189E-01   0.574E-04 -.628E-04 0.165E-03
   -.933E+02 -.480E+01 0.326E+03   0.934E+02 0.453E+01 -.327E+03   0.204E-01 0.376E+00 0.118E+01   0.706E-03 -.104E-03 -.840E-03
   -.103E+03 -.476E+02 0.354E+03   0.103E+03 0.485E+02 -.356E+03   -.292E+00 -.951E+00 0.232E+01   0.679E-03 0.255E-03 -.743E-03
   -.101E+03 0.166E+02 0.297E+03   0.101E+03 -.166E+02 -.299E+03   -.144E-01 -.119E-01 0.154E+01   0.295E-03 -.515E-04 -.534E-03
   -.953E+02 0.105E+03 0.260E+03   0.945E+02 -.109E+03 -.262E+03   0.557E+00 0.387E+01 0.244E+01   0.276E-03 0.517E-03 -.461E-03
   -.769E+02 0.111E+03 0.101E+03   0.770E+02 -.114E+03 -.105E+03   0.616E-01 0.287E+01 0.342E+01   -.177E-03 -.357E-04 0.459E-03
   -.604E+02 0.101E+03 0.457E+02   0.609E+02 -.963E+02 -.413E+02   -.479E+00 -.454E+01 -.425E+01   -.228E-03 -.717E-06 0.225E-03
   0.543E+01 0.203E+03 -.150E+03   -.591E+01 -.205E+03 0.152E+03   0.403E+00 0.172E+01 -.219E+01   -.314E-03 -.260E-04 -.181E-05
   0.377E+02 0.152E+03 -.198E+03   -.381E+02 -.152E+03 0.200E+03   0.422E+00 0.211E+00 -.190E+01   -.310E-03 -.764E-04 -.167E-03
   -.633E+02 0.997E+02 0.178E+03   0.644E+02 -.989E+02 -.181E+03   -.118E+01 -.899E+00 0.316E+01   -.101E-03 -.170E-03 -.902E-04
   0.570E+01 0.620E+02 0.571E+01   -.686E+01 -.636E+02 -.459E+01   0.114E+01 0.153E+01 -.138E+01   0.977E-05 -.679E-04 0.420E-04
   0.213E+02 0.934E+01 -.124E+03   -.214E+02 -.940E+01 0.125E+03   -.134E-02 0.360E+00 -.693E+00   -.248E-03 -.174E-03 0.107E-03
   -.127E+02 -.391E+02 -.171E+03   0.131E+02 0.392E+02 0.170E+03   -.403E+00 -.199E+00 0.597E+00   -.137E-03 -.337E-03 0.151E-03
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 -----------------------------------------------------------------------------------------------
   0.374E+02 0.593E+01 -.117E+02   -.191E-10 0.387E-11 0.301E-11   -.374E+02 -.593E+01 0.116E+02   -.507E-02 0.548E-02 0.505E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.17931      3.15592      1.33657        -0.007522     -0.043207      0.033559
     12.93422      3.59175      2.63752         0.075456     -0.012203     -0.094612
     12.87753      4.95100      2.96090        -0.006330     -0.013451      0.093291
     13.22590      4.07787      0.29166         0.062419     -0.185721      0.088587
     13.09336      5.43274      0.60216         0.111952     -0.001834      0.153717
     12.99848      5.92264      1.93319         0.015765      0.083910     -0.077371
     13.31268      1.66786      1.35095        -0.186496      0.122291      0.190797
     12.73687      2.38434      3.49944        -0.004821     -0.001599     -0.055025
     13.07975      7.40375      2.21085         0.085484      0.073935     -0.103840
     13.09210      7.94596      3.52362        -0.063628     -0.107507     -0.012721
     13.30457      9.31343      3.71279         0.082451     -0.078490      0.062335
     13.24587      8.32988      1.14335         0.102936      0.100725      0.097249
     13.47083      9.70014      1.33644        -0.019347      0.018051      0.151244
     13.51453     10.18145      2.64750         0.059777      0.022699     -0.023345
     13.77426     11.55329      3.18635        -0.243404     -0.475142      0.222336
     13.38384     10.09762      4.99074         0.087516      0.209348     -0.809809
     13.75569     12.55563      5.54479        -0.017690      0.076166      0.134161
     13.49437     12.41732      6.92089        -0.083697     -0.269503     -0.273916
     13.55513     13.51504      7.76744        -0.020344     -0.038042      0.110913
     14.10763     13.84496      5.12149        -0.075666     -0.089138     -0.159048
     14.16534     14.94154      5.99399        -0.020575      0.009434     -0.261004
     13.86121     14.82754      7.38184        -0.074055      0.308845      0.460991
     13.89861     15.94409      8.42630        -0.013062     -0.068304      0.051821
     13.22124     15.99939      9.70385         0.077772      0.110004     -0.042509
     13.29160     17.15715     10.50271         0.069247      0.101457     -0.021970
     14.68120     17.08356      8.16019         0.104250     -0.028635      0.078909
     14.69715     18.24838      8.92195        -0.084920     -0.020414      0.006222
     13.96150     18.31450     10.09700         0.039720     -0.122266      0.051150
     12.40736     14.88700     10.33190         0.053849     -0.051904     -0.154531
     14.71627     16.16973      5.30953         0.239583     -0.031598     -0.109348
      9.85578      3.84886      4.70613        -0.055054     -0.190318     -0.128728
      9.71356      4.76605      3.66825        -0.022986     -0.027957      0.019893
      9.73163      6.15053      3.91201         0.033380      0.153573     -0.098359
     10.10525      4.27743      6.00647         0.037532     -0.167525     -0.072113
     10.18432      5.64926      6.24272         0.036837      0.016457     -0.105443
      9.97380      6.63336      5.23180         0.077307     -0.166467      0.013271
      9.65088      2.46060      4.18016         0.142926      0.659070     -0.485334
      9.57598      3.98571      2.38700         0.014564     -0.106411     -0.202751
     10.03814      8.09421      5.60891         0.031234      0.060322      0.041995
     10.06064      9.15696      4.66397         0.021112     -0.271477     -0.157764
     10.17618     10.47533      5.09882        -0.042911     -0.004471     -0.047453
     10.07352      8.47448      6.97813        -0.074854      0.172832      0.012687
     10.13788      9.80767      7.41493         0.077109     -0.018351     -0.104343
     10.21725     10.81142      6.44918        -0.072665      0.135261      0.051165
     10.28145     12.30117      6.56420         0.081047      0.020527     -0.048925
     10.25621     11.73449      4.29786         0.094986     -0.069105     -0.021274
     10.68774     14.18231      4.84649         0.125908      0.042648      0.190287
     11.23221     14.50814      3.59836         0.048600     -0.110682      0.025331
     11.60746     15.81873      3.30779        -0.021178      0.112410      0.022055
     10.55240     15.26121      5.74311        -0.000175     -0.258384      0.009584
     10.94576     16.58004      5.44196         0.114886     -0.073247      0.096301
     11.53047     16.93717      4.16142         0.024472      0.130152      0.205260
     12.05637     18.31224      3.70424         0.007568     -0.059006     -0.007788
     12.67439     18.69637      2.45081        -0.038096      0.149946     -0.103937
     12.99113     20.04230      2.18382        -0.148427      0.273899     -0.068948
     11.94281     19.41946      4.57355        -0.093115     -0.161592      0.000863
     12.21464     20.75636      4.30846         0.107077      0.044282     -0.081246
     12.72555     21.11526      3.06100        -0.024365     -0.092967     -0.227564
     13.14856     17.81577      1.28900         0.152819     -0.221629     -0.083691
     10.76923     17.48784      6.65227         0.154997      0.268200     -0.004455
     10.60822      7.06889     14.79052        -0.097208      0.179198      0.195272
     10.52092      7.49288     16.11417         0.031826      0.210166      0.136308
     10.52790      8.86184     16.46073         0.087128     -0.552992      0.126172
     10.60244      8.00958     13.75754         0.056052     -0.224287      0.117896
     10.54745      9.36059     14.09239         0.008495      0.034587      0.297772
     10.55990      9.83530     15.44014         0.036349      0.506366     -0.396532
     10.60104      5.58134     14.75980         0.041296     -0.315060     -0.443386
     10.35635      6.26370     16.97629         0.079641      0.146099     -0.454557
     10.60881     11.33872     15.69204         0.085505      0.043635     -0.144119
     10.68410     11.94575     16.97704        -0.019882     -0.008777     -0.004666
     10.75986     13.34257     17.08987         0.068752     -0.076113     -0.036285
     10.63451     12.23261     14.58363         0.067965     -0.028360      0.078926
     10.75973     13.62388     14.69261        -0.050814     -0.087178      0.087751
     10.81242     14.17823     15.97147         0.091593     -0.069663      0.072603
     10.93413     15.60043     16.42377        -0.088972     -0.454190      0.327358
     10.80198     14.20946     18.31911        -0.037707      0.118603     -0.650880
     10.77503     16.73485     18.71343         0.057860      0.077204     -0.181067
     10.05439     16.72027     19.90251         0.212428      0.065392     -0.076403
      9.90075     17.88861     20.64546        -0.122164      0.137244      0.168859
     11.35200     17.97073     18.37633         0.002000     -0.071651     -0.088433
     11.21569     19.14340     19.15033        -0.046734      0.054787      0.051790
     10.42666     19.16891     20.37762        -0.107204     -0.028687     -0.120012
     10.08848     20.34453      0.08785         0.158615     -0.151895     -0.110180
      9.37560     20.30149      1.35068         0.107109     -0.072292      0.231409
      9.19164      0.19451      2.15139        -0.014836     -0.029450      0.154602
     10.50033      0.40140     21.04379        -0.061267      0.130911     -0.039680
     10.32766      1.54536      0.57762         0.049880      0.046372      0.042727
      9.68981      1.46698      1.82173        -0.033337     -0.078986     -0.106583
      8.73909     19.07218      1.99298        -0.282817     -0.010908     -0.234322
     12.03146     20.28460     18.55195         0.229439      0.030500     -0.199161
      7.31660      7.65809     17.32913        -0.066262      0.009414      0.059858
      7.13455      8.57834     16.29810        -0.074701     -0.095922      0.082496
      7.07246      9.95790     16.56449         0.045496     -0.005416      0.001780
      7.56010      8.08363     18.63227         0.046359     -0.116078     -0.164633
      7.58796      9.45697     18.87965        -0.061630     -0.039561     -0.080748
      7.30032     10.44070     17.89176         0.045017     -0.032356     -0.127326
      7.13092      6.27595     16.80937         0.156249      0.485327     -0.352515
      7.02196      7.77804     15.01676         0.129875      0.199550     -0.024495
      7.26464     11.90597     18.29906         0.028158      0.055437      0.133916
      7.12725     13.00185     17.39856         0.017710     -0.041969     -0.158221
      7.15451     14.32387     17.87465        -0.076645     -0.096349     -0.022306
      7.39961     12.25169     19.67465        -0.070012      0.118331     -0.085615
      7.38095     13.56649     20.15466         0.050819      0.147426     -0.063068
      7.25449     14.61303     19.23696        -0.092138      0.011045     -0.132244
      7.19241     16.09837     19.41722        -0.012056      0.279436      0.253979
      7.11977     15.63606     17.13189         0.060782     -0.170356     -0.023475
      7.50673     18.07029     17.79514         0.128950      0.142076      0.093209
      8.34623     18.41497     16.73024        -0.022300     -0.001597     -0.032025
      8.72994     19.74485     16.53022         0.017062      0.024870     -0.028234
      7.04898     19.15090     18.57041         0.030124     -0.203197     -0.122427
      7.42466     20.49531     18.34614         0.168099      0.059591     -0.075865
      8.35135     20.87116     17.28597        -0.012222      0.134287      0.322416
      8.95515      1.00737     16.93458         0.027857     -0.124798     -0.238787
      9.71444      1.38093     15.74512         0.108598     -0.261625     -0.056647
     10.17270      2.70145     15.56257        -0.188800      0.015923      0.032930
      8.77740      2.11064     17.80268         0.097848     -0.000711     -0.256163
      9.21883      3.42984     17.61357         0.092861      0.120479     -0.108349
      9.92293      3.76602     16.44383         0.052918      0.016659      0.108467
     10.22920      0.50659     14.55712         0.059357      0.365915     -0.013411
      6.72029      0.17198     19.31822         0.229140      0.177877      0.008293
      6.90788     10.82281      6.23416        -0.043852     -0.062215      0.006596
      6.86337     11.27087      7.54855        -0.016365     -0.008418      0.106907
      6.89992     12.64159      7.87385         0.015612     -0.061489      0.138945
      7.01836     11.75651      5.19639        -0.051495     -0.163679      0.154926
      7.07051     13.11894      5.52106        -0.053291     -0.036664      0.176053
      7.00862     13.62975      6.85353         0.020524     -0.010096     -0.162985
      6.90139      9.31708      6.23575        -0.084444      0.380700      0.340684
      6.85319     10.04706      8.43964         0.006405      0.216503     -0.124280
      7.09924     15.13914      7.09607        -0.018410      0.102585     -0.149262
      7.14039     15.75630      8.38217         0.024553      0.064009     -0.012846
      7.25002     17.15985      8.49846         0.017912     -0.104295      0.011929
      7.19991     16.03547      5.98237        -0.129671     -0.115363      0.177027
      7.29328     17.42448      6.10581        -0.094732      0.023135      0.168934
      7.28559     17.98659      7.38064        -0.016098     -0.011267     -0.064470
      7.41019     19.42012      7.80321         0.062425     -0.516150      0.301087
      7.47488     18.04187      9.70528        -0.006958     -0.014882     -0.724557
      7.69894     20.56862     10.05943         0.012728     -0.081131      0.084691
      7.22207     20.54091     11.37133        -0.001637     -0.310520     -0.150982
      7.22090      0.43410     12.14348         0.024705      0.034265     -0.064870
      8.33515      0.50439      9.65940         0.003213     -0.179883      0.119173
      8.45445      1.62903     10.51075        -0.012363     -0.075507      0.126113
      7.77463      1.67685     11.80566         0.053511      0.185130      0.028330
      7.54840      2.84459     12.79877         0.062158     -0.140992      0.059495
      6.91563      2.81447     14.11480         0.075135      0.119721      0.185171
      6.72786      4.00007     14.85437         0.107710      0.164290      0.004259
      7.94132      4.15240     12.44037        -0.058493      0.060542     -0.017144
      7.82810      5.31841     13.21427         0.007794      0.031889      0.055518
      7.20477      5.26403     14.46934        -0.049787     -0.007795     -0.146638
      6.31155      1.63676     14.89700         0.060548     -0.012877      0.019634
      9.46170      2.64631      9.97558        -0.143452      0.148671      0.299758
      4.29342     11.54738     10.43141        -0.038026     -0.083282     -0.013158
      4.06078     12.40938      9.36744        -0.032826      0.038726     -0.107369
      4.20521     13.79633      9.50418        -0.081737     -0.027056     -0.099067
      4.71678     12.05343     11.66448        -0.115292     -0.111346     -0.240575
      4.75392     13.44125     11.83135        -0.016971     -0.070476     -0.175223
      4.49529     14.35829     10.77308        -0.030224     -0.156798      0.062356
      3.87039     10.16638     10.04312         0.011038      0.150359     -0.136515
      3.56246     11.58999      8.20333         0.165800     -0.051893      0.481255
      4.47991     15.84137     11.03090        -0.007090      0.152281      0.005399
      4.06833     16.79336     10.05163        -0.001783     -0.127841     -0.254325
      4.09022     18.16336     10.34550        -0.091968     -0.108359     -0.095296
      4.87658     16.34906     12.29718        -0.066952      0.079837      0.040745
      4.79512     17.70508     12.62282        -0.031924     -0.000026     -0.107501
      4.39418     18.59328     11.62986         0.005498      0.072565      0.198763
      4.26638     20.06273     11.69396         0.036340      0.202704      0.136898
      3.90131     19.39722      9.49780        -0.147793      0.035814     -1.246973
      4.36036      0.62704      9.97755         0.030380      0.143914      0.118307
      4.88708      0.99611      8.73840         0.009942     -0.335757      0.080248
      5.43048      2.26307      8.58094        -0.048798      0.110654     -0.138213
      4.23703      1.68310     10.88574         0.075556      0.030685      0.005464
      4.72736      3.00141     10.67435        -0.008323     -0.076391      0.007638
      5.46715      3.35725      9.48119        -0.115856     -0.061467     -0.036988
      6.08243      4.71326      8.99772         0.080334     -0.059307     -0.043774
      6.56544      5.03296      7.67127        -0.025586     -0.001496     -0.107587
      6.83851      6.35285      7.23983         0.009705      0.396586     -0.066239
      6.10912      5.86931      9.80661        -0.105615     -0.176168      0.258945
      6.32004      7.18755      9.38800        -0.017946      0.299272     -0.029536
      6.65427      7.49541      8.05754        -0.061831     -0.145279      0.127678
      6.75894      4.01789      6.55971        -0.028960     -0.129928      0.166454
      4.14039      3.80520     11.82524         0.016728      0.045679     -0.231225
      0.80702     14.09458      1.03355        -0.043613      0.012732     -0.136487
      1.50456     14.53768      2.14535         0.106524      0.104860      0.199050
      1.52750     15.92819      2.45229         0.195093     -0.095449     -0.078559
      0.27685     14.97341      0.10185         0.058313      0.061910      0.203823
      0.41500     16.33600      0.33998        -0.091839      0.184222     -0.012581
      0.96702     16.88399      1.53231         0.017640     -0.036994      0.074485
      0.76503     12.62406      0.98988         0.113363     -0.098156     -0.047919
      2.15452     13.27114      2.74841        -0.623030      0.194860     -0.688308
      0.92629     18.42183      1.68403        -0.053999     -0.195744     -0.126694
      1.34141     19.17034      2.82484         0.031212     -0.154433      0.217120
      1.24010     20.57568      2.82087        -0.109938      0.105184      0.019489
      0.41618     19.19457      0.59228         0.057762     -0.078279      0.229034
      0.24939     20.57966      0.62595        -0.106187      0.066279     -0.039085
      0.65515      0.00948      1.76166         0.090165      0.015526      0.134977
      0.57938      1.46787      2.07708         0.326825     -0.340593      0.286188
      1.68972      0.35185      3.82394        -0.302516      0.050968     -0.408423
      1.32882      2.90521      4.04972        -0.045188      0.095707      0.027015
      1.97738      2.99929      5.28756         0.124679     -0.174144     -0.115526
      2.11141      4.22476      5.92649         0.091424     -0.047746      0.072762
      0.74817      4.11096      3.60158         0.024002      0.010813      0.079273
      0.83124      5.32344      4.33415        -0.155044     -0.073966     -0.246844
      1.59763      5.47464      5.53378         0.285804     -0.023036      0.431822
      1.97045      6.71467      6.40705        -0.088038     -0.304173     -0.243306
      2.44207      6.69285      7.77105        -0.111733      0.100404     -0.225888
      2.85531      7.85105      8.43738         0.188890      0.303448      0.153214
      1.99418      8.02845      5.87962         0.202937     -0.024752      0.019574
      2.46997      9.18581      6.53003         0.012329      0.182851     -0.029406
      2.92581      9.12990      7.86569         0.015388     -0.113744     -0.002936
      2.70399      5.48915      8.63908        -0.410700     -0.306940     -0.042878
      0.00909      6.41700      3.71006        -0.089405      0.052414      0.498755
      4.57967     14.09980      0.64662        -0.089433      0.115810     -0.184768
      4.00444     15.01331     -0.24003        -0.025192      0.021644     -0.063595
      4.05772     16.40847     -0.02320        -0.052846     -0.167428     -0.018842
      5.21948     14.57717      1.78633        -0.137294      0.131953     -0.067948
      5.20905     15.95404      2.04132        -0.119750      0.200076     -0.156982
      4.63241     16.93568      1.17339        -0.011250      0.397999      0.257022
      4.37018     12.70450      0.14034        -0.047116      0.163647      0.001520
      3.36850     14.19658     19.90847         0.076400      0.091247      0.365625
      4.65956     18.44432      1.61368         0.003613     -0.121335      0.076981
      4.15644     19.58610      0.89947         0.057682      0.019280      0.019646
      4.30221     20.90622      1.42536         0.032951     -0.152901     -0.079324
      5.24333     18.75106      2.87874        -0.107847      0.105027     -0.106442
      5.41968     20.05043      3.37844        -0.022278     -0.093759     -0.063158
      4.97263     21.13735      2.62427        -0.048111     -0.082273     -0.034154
      5.10062      1.36057      2.86450        -0.395790     -0.399871     -0.433135
      3.85012      1.01642      0.92273         0.055531     -0.256010     -0.067091
      4.04986      3.48106      1.79146        -0.054635     -0.279296     -0.259112
      3.17072      4.04685      0.83928         0.170541     -0.005223      0.027902
      2.95436      5.43077      0.76068         0.064658     -0.041129      0.023639
      4.61145      4.42400      2.66976        -0.075388      0.362178      0.152541
      4.25783      5.80874      2.67236        -0.048776     -0.184019     -0.032314
      3.42641      6.41974      1.67190        -0.162282     -0.394594     -0.047172
      2.98831      7.89472      1.60561        -0.276297      0.050282     -0.121964
      1.74874      8.43654      1.07939         0.044612      0.062889      0.001597
      1.41358      9.79450      1.22158         0.021041     -0.175830     -0.036598
      3.78475      8.89944      2.19675        -0.193307      0.224189     -0.245924
      3.41985     10.24476      2.42336         0.121482     -0.132999      0.180889
      2.20913     10.73734      1.90315        -0.151125      0.149004      0.054584
      0.72329      7.68145      0.22265         0.546975     -0.224325     -0.135761
      4.89528      6.50397      3.86185         0.027335     -0.073396      0.048624
     18.01710     17.33598     13.84476         0.034581     -0.041028      0.050412
     19.00302     17.79978     14.71755        -0.098658      0.011755     -0.026618
     19.23278     19.16960     14.90278         0.059447     -0.002936      0.071908
     17.32446     18.24251     13.03369         0.098367     -0.181852      0.133320
     17.63624     19.60362     13.14335        -0.038863     -0.140776      0.247468
     18.52392     20.12635     14.12609        -0.029397     -0.109739     -0.110312
     17.97832     15.83628     13.92147         0.104853      0.027448     -0.042118
     19.71539     16.60732     15.29822        -0.354878      0.043300     -0.353071
     18.66256      0.35846     14.31738        -0.110715      0.188835     -0.027457
     19.55259      0.94750     15.25933        -0.068550     -0.047619      0.020070
     19.56041      2.33930     15.43823        -0.074350     -0.108760      0.058706
     17.82516      1.25434     13.58944         0.030799      0.054940      0.127677
     17.83487      2.64267     13.77448         0.084768      0.108543      0.137923
     18.71652      3.18106     14.71519        -0.063580     -0.018418     -0.004614
     18.93066      4.59444     15.16509         0.203820     -0.212282      0.150559
     20.34263      3.18964     16.39705        -0.015093     -0.042900      0.049638
     20.54543      5.70096     16.80459         0.014383      0.213854      0.075012
      0.61881      5.69589     17.22884         0.023574      0.009169      0.046472
      1.22156      6.86461     17.70935         0.044916     -0.406537     -0.130318
     19.84980      6.90384     17.03240         0.589637     -0.046492      0.215604
     20.46091      8.05344     17.60268        -0.078013     -0.010217      0.067947
      0.62362      8.11264     17.91687        -0.069313      0.320755     -0.040397
      1.51088      9.29478     18.45887        -0.319049     -0.014842      0.108424
      2.87226      9.28941     18.95527         0.124616     -0.135685      0.269369
      3.48801     10.47114     19.45364         0.097350     -0.132772      0.153802
      0.95685     10.59776     18.54151        -0.293645     -0.211269     -0.390979
      1.54074     11.74625     19.06835         0.089697      0.352286      0.332495
      2.83912     11.69348     19.59291         0.078765      0.277207      0.017216
      3.95604      8.20285     18.97093         0.376138     -0.328650     -0.046637
     19.43006      9.12881     17.92574        -0.082327     -0.047075     -0.234193
      1.80811     18.29463     14.13608        -0.128427     -0.023465     -0.070256
      1.10838     19.19891     13.33940        -0.094708      0.064692     -0.094389
      1.16536     20.57419     13.57373        -0.118790      0.183814      0.008039
      2.59078     18.75584     15.19221        -0.074633     -0.056165     -0.037711
      2.60847     20.13154     15.45300         0.121974     -0.236699     -0.121129
      1.90749     21.08651     14.67372         0.071244     -0.327171     -0.030441
      1.52188     16.90853     13.67343        -0.221636      0.091678      0.059188
      0.34475     18.41792     12.29933         0.517571     -0.255387      0.824137
      2.04996      1.28530     14.97457         0.025497      0.241081      0.134481
      1.54024      2.29284     14.11868        -0.102333     -0.232116     -0.162069
      1.82166      3.63203     14.37841        -0.032034     -0.136287      0.071713
      2.74108      1.72906     16.13786         0.019386      0.105291     -0.141402
      3.10347      3.06585     16.34486         0.003307      0.161499     -0.164827
      2.68319      4.01426     15.40326         0.057593      0.003201      0.202739
      2.92980      5.49068     15.28216        -0.983553     -0.743883     -0.549626
      1.30700      4.85703     13.72367        -0.999613      0.269137     -1.039869
      1.48709      7.32207     14.22018         0.027331      0.115873      0.227864
      0.16114      7.62511     13.88914         0.093092      0.025977      0.039214
     20.95186      8.92276     14.04552        -0.003784      0.105699      0.115492
      2.27406      8.42343     14.60265         0.174581     -0.101926      0.073016
      1.78840      9.74383     14.72678         0.004733     -0.103919      0.037615
      0.39599     10.06280     14.47544         0.031152      0.078640      0.107775
     20.88533     11.39216     14.60013        -0.067059     -0.071722      0.012576
     19.49101     11.65198     14.27390        -0.047370      0.166394     -0.080157
     18.93790     12.94578     14.38188        -0.095255      0.233138     -0.082808
      0.27025     12.56349     15.06067         0.086978     -0.163912     -0.106780
     -0.25950     13.85383     15.11541        -0.085519     -0.110243      0.125728
     19.66878     14.09205     14.76019        -0.094208     -0.011105     -0.122520
     18.41461     10.66006     13.82148        -0.154003     -0.216895     -0.063858
      2.89268     10.70106     15.14295        -0.069795      0.204604      0.074149
     16.34286      0.41680      5.24311         0.053868     -0.132011      0.066038
     16.93788      0.79188      6.44512        -0.014788     -0.048026     -0.003681
     16.86663      2.11788      6.91407         0.004753      0.009965      0.139480
     15.67979      1.34552      4.46474         0.059376     -0.023981      0.045230
     15.65825      2.66785      4.90148        -0.002412      0.099567      0.075608
     16.22659      3.11916      6.12467        -0.060545      0.002796     -0.110021
     16.63558     20.25068      4.93986         0.148145      0.164122      0.227140
     17.67063     20.83479      6.96054        -0.221768      0.079316     -0.250782
     16.18998      4.61442      6.43514        -0.026152      0.085697     -0.107869
     16.77343      5.25644      7.56830        -0.084189     -0.037679      0.006233
     16.76397      6.66360      7.65530         0.014735     -0.054211      0.048868
     15.58781      5.48885      5.47884         0.127392     -0.030801      0.049470
     15.64512      6.88195      5.53955         0.109283      0.021597      0.077739
     16.25865      7.46903      6.64062        -0.066740      0.039311     -0.030256
     16.53140      8.90711      6.93809        -0.008020     -0.227976      0.373665
     17.32057      7.58024      8.71174        -0.399092      0.125384     -0.726787
     17.67935     10.10721      8.87825        -0.028341      0.058129      0.100395
     18.71036     10.00391      9.81064        -0.097800     -0.169608     -0.041618
     19.28731     11.13773     10.36810        -0.077417      0.091177      0.067624
     17.21289     11.41328      8.64101        -0.073492     -0.139775     -0.080858
     17.82213     12.55311      9.21085         0.042969     -0.045729     -0.114246
     18.95345     12.47055     10.09632         0.147118      0.162077      0.168151
     19.77209     13.60461     10.76272        -0.355684     -0.072082      0.047001
     21.08235     13.52452     11.36058         0.061694      0.159492      0.142297
      0.44137     14.66680     11.91792         0.066569     -0.066019      0.063361
     19.20618     14.89876     10.89871         0.014459     -0.068195     -0.019043
     19.82733     16.03163     11.43379         0.100307     -0.125927     -0.003328
     21.12239     15.93455     11.95925         0.063881      0.000627      0.193945
      0.83168     12.37681     11.38360         0.088753      0.030330     -0.274563
     17.09837     13.81374      8.82812        -0.042585      0.220520      0.000340
     20.26547      1.47830      6.22610        -0.118454     -0.065443     -0.210629
     19.65773      2.50029      5.49166         0.093017     -0.077620     -0.062068
     19.59104      3.79372      5.97169         0.001853      0.139719     -0.037482
     20.78234      1.73882      7.48639        -0.039036      0.115357      0.007944
     20.65115      3.03452      8.00340        -0.026486     -0.141284     -0.038211
     20.07826      4.09939      7.26348        -0.017088     -0.119231      0.038951
     20.24236      0.23200      5.40504        -0.053261      0.148052     -0.170706
     19.21079      1.94720      4.17257         0.310871     -0.336475      0.450685
     20.10334      5.51315      7.73215         0.001318      0.245415      0.075960
     19.67662      6.54973      6.87317        -0.257329     -0.042047     -0.177228
     19.99850      7.86994      7.16245        -0.212342      0.086615     -0.252022
     -0.64079      5.91122      8.99137         0.029324      0.061967      0.079859
     -0.33492      7.24552      9.29336        -0.000827     -0.160384      0.038785
     20.68592      8.20927      8.31370         0.079921      0.111509      0.002271
     -0.22763      9.64340      8.22720         0.755926      0.921119      0.685904
     19.73025      9.11821      6.38020        -0.556025      0.141249     -0.704242
     20.31665     11.58310      6.68774         0.134061      0.238528      0.115381
     19.37580     12.02600      5.74146         0.049758     -0.308757      0.050994
     19.18372     13.38245      5.52225        -0.059123     -0.024392     -0.077335
     21.13050     12.59784      7.25757         0.003821     -0.264319      0.003397
     20.95965     13.97021      6.97393        -0.099411     -0.216234     -0.026165
     19.90398     14.43396      6.11666        -0.171946      0.244292     -0.018574
     19.41721     15.86188      5.89360         0.030012     -0.171861      0.102084
     18.66654     16.36746      4.77681         0.021826      0.110205     -0.077206
     18.12356     17.66232      4.79021        -0.016603      0.195146      0.088355
     19.56160     16.80666      6.93609         0.039500     -0.193832     -0.013026
     19.01181     18.08002      6.97002        -0.054813      0.132863     -0.007743
     18.22827     18.52810      5.90127        -0.111610      0.098996      0.035578
     18.29578     15.58783      3.52168         0.109579     -0.136013     -0.016959
      0.73532     14.87220      7.60776         0.038551      0.142444     -0.006794
     12.73343      5.23834      4.00581        -0.022335     -0.001969     -0.070110
     13.34994      3.75702     20.51372         0.005292     -0.006770      0.050141
     13.08895      6.11929     21.01968         0.050968      0.132681     -0.026963
     12.95276      7.31103      4.40041        -0.036252      0.012392     -0.024640
     13.24308      7.98334      0.11146        -0.032328     -0.064224     -0.003268
     13.61927     10.36619      0.47978        -0.014747     -0.067783      0.129191
     13.41548     13.30478      8.81655        -0.073507     -0.089367      0.013919
     13.22198     11.45242      7.33955         0.114258     -0.028517     -0.005495
     14.31030     14.02007      4.06810         0.082711     -0.090166      0.123497
     12.81359     17.15633     11.48373        -0.119895     -0.033511     -0.160326
     15.33040     17.08628      7.30319         0.038812     -0.008795      0.134286
     15.27908     19.09962      8.55614         0.011117     -0.042040      0.129510
      9.55488      6.83983      3.07539         0.049274     -0.118003      0.176677
     10.20915      3.54990      6.81782         0.067246      0.166614     -0.109229
     10.40496      5.94656      7.26757         0.017050      0.081620     -0.050421
      9.98403      8.96088      3.59209         0.060796     -0.016393      0.026518
      9.99450      7.71841      7.75977         0.033140     -0.020759     -0.078969
     10.11911     10.03200      8.48803         0.044677      0.034350     -0.188159
     12.00077     15.95462      2.31939         0.153158     -0.060776     -0.108787
     11.43997     13.74364      2.85133        -0.146766      0.053074     -0.001351
     10.19499     15.05494      6.75054        -0.012904     -0.018077     -0.189125
     13.41354     20.27439      1.21090         0.028813      0.011663      0.162410
     11.60402     19.26121      5.57365        -0.145968      0.040416      0.083459
     11.99967      0.23798      5.07334         0.027984     -0.001894      0.019600
     10.48804      9.13816     17.51712        -0.008383      0.011580     -0.042142
     10.60679      7.70451     12.71026         0.034959     -0.048029      0.005446
     10.47057     10.05848     13.26040         0.100709      0.024555      0.061689
     10.68435     11.34827     17.89003        -0.021706     -0.033770      0.018876
     10.58101     11.83655     13.57147         0.016322      0.015466     -0.001304
     10.81448     14.23112     13.78493        -0.022133      0.047661      0.126003
      9.30261     17.74228      0.26455        -0.115547     -0.013526     -0.122826
      9.59434     15.81204     20.27508         0.054968     -0.084880      0.048454
     11.90992     18.03830     17.44496        -0.002988     -0.015282      0.130840
      8.67301      0.08920      3.10414         0.068828     -0.028353     -0.151917
     10.97894      0.58745     20.09688         0.125958      0.024114      0.057160
     10.73644      2.49727      0.22696        -0.184129     -0.138737     -0.059535
      6.81577     10.63596     15.74734         0.107011      0.041173      0.034395
      7.72287      7.35960     19.43750        -0.008479      0.119284     -0.103392
      7.80438      9.74160     19.90614         0.013333      0.137274      0.017402
      7.01212     12.82871     16.32510         0.057440      0.026309      0.026909
      7.50034     11.48053     20.43528        -0.009368     -0.058535     -0.055843
      7.48810     13.74831     -0.02907        -0.030975      0.035387     -0.195707
      9.36527     19.90298     15.67850         0.259714     -0.186895      0.080912
      8.73864     17.66261     16.04321        -0.029385      0.072665      0.089794
      6.37286     18.95270     19.39590         0.060535     -0.098308     -0.010414
     10.67420      2.92666     14.63259         0.168924      0.055892     -0.020290
      8.21661      1.96845     18.70538        -0.051419     -0.007944      0.214657
      8.94526      4.18314     18.36262         0.188915     -0.260963     -0.200009
      6.82614     12.91686      8.92708         0.164783      0.065055     -0.016738
      7.09997     11.44350      4.15047        -0.067717     -0.010556      0.107949
      7.19068     13.79852      4.67898        -0.020785      0.077394      0.039689
      7.09350     15.15950      9.29583         0.096128     -0.021430     -0.036678
      7.21583     15.65958      4.95929         0.032808     -0.156370      0.080734
      7.45007     18.05972      5.23215        -0.144183     -0.076587     -0.027105
      6.75658      0.32199     13.09988        -0.209338     -0.070453      0.038336
      6.83231     19.60757     11.79302         0.103906      0.315344     -0.078027
      8.78955      0.55107      8.66880        -0.027358     -0.008997      0.142824
      6.21182      3.95838     15.80941         0.077899     -0.146047     -0.095883
      8.36701      4.29104     11.45992         0.177675      0.095808     -0.107786
      8.27247      6.24564     12.83509        -0.277633     -0.156201      0.007565
      4.02755     14.43219      8.63810         0.024998     -0.013429      0.004076
      4.94277     11.38637     12.49735        -0.083750      0.026615     -0.044580
      4.91286     13.80040     12.84572         0.166025      0.095499      0.006576
      3.73272     16.45962      9.06499         0.096517      0.077940      0.045478
      5.25264     15.68788     13.07800        -0.020198     -0.065062     -0.088031
      5.06833     18.07234     13.61547         0.016622     -0.100327     -0.067914
      5.81286      2.38224      7.59777         0.192729     -0.095077     -0.033491
      4.90805      0.29922      7.89740         0.109682      0.076466      0.101453
      3.72906      1.48548     11.82622         0.083928     -0.006576     -0.085094
      7.16065      6.50199      6.20774        -0.097989     -0.063594      0.244763
      5.89253      5.76219     10.85697        -0.088198      0.012462      0.118666
      6.15710      7.99177     10.10771         0.172957     -0.177972      0.051617
      2.01960     16.25521      3.37288        -0.034877      0.044985     -0.046890
     -0.18746     14.59885     20.45277        -0.147353      0.018025     -0.097405
      0.06695     16.99082     20.79988        -0.073358     -0.059543      0.152632
      1.70763     18.67786      3.73551         0.039474      0.042528     -0.220720
      0.11123     18.71551     20.92475        -0.013043     -0.058780      0.032368
     -0.19565     -0.14872     21.03888         0.072819     -0.037449      0.023786
      2.69917      4.17691      6.81371         0.126387     -0.170374      0.008102
      2.40115      2.11387      5.76113         0.056396      0.110921     -0.073151
      0.16558      4.10418      2.68021         0.070928      0.023383      0.140624
      3.15966      7.76180      9.47380         0.024536      0.024469     -0.076448
      1.71869      8.16459      4.84027        -0.099679      0.068556     -0.086454
      2.48426     10.12235      5.96522         0.004703     -0.122399      0.121941
      3.64216     17.04583     20.45414        -0.095682      0.180154      0.095696
      5.67588     13.89442      2.50003         0.042500     -0.065323      0.070819
      5.67127     16.25314      2.98121        -0.004598      0.072726     -0.088265
      3.67275     19.45810     -0.07420         0.001756      0.042893      0.087067
      5.62624     17.94458      3.50882        -0.097206      0.166691     -0.077764
      5.92243     20.18221      4.33849        -0.044849      0.125099     -0.001180
      2.38575      5.73994     -0.10482        -0.115853     -0.041975      0.139197
      2.64004      3.40893      0.13655         0.115660      0.012516     -0.123685
      5.31339      4.12591      3.44266        -0.080415     -0.282766     -0.042420
      0.49920     10.16243      0.75353         0.173200     -0.248714      0.192647
      4.79100      8.62056      2.46782         0.254456      0.082467      0.239446
      4.10907     10.85016      3.02678        -0.205678      0.051707     -0.389427
     19.97490     19.48236     15.63995        -0.010057     -0.010540      0.007215
     16.57936     17.90417     12.30479         0.115308      0.009393      0.080497
     17.14987     20.26350     12.43041        -0.077120      0.147091      0.035971
     20.21719      0.31879     15.86002        -0.036153      0.145239     -0.018208
     17.09740      0.87447     12.87228         0.059032     -0.092944      0.029712
     17.14432      3.28910     13.22134         0.119249     -0.102807      0.029723
      2.24683      6.73031     17.99790         0.052837      0.057521     -0.241651
      1.21896      4.78128     17.19647        -0.236529      0.222475      0.041922
     18.79683      6.94011     16.79880        -0.186625      0.087298     -0.060014
      4.52206     10.43660     19.80410        -0.260938     -0.204738     -0.089614
     -0.02286     10.75304     18.11335        -0.074639      0.025268      0.092313
      0.95144     12.66990     19.10315         0.143558     -0.212990     -0.109110
      0.63119     21.24881     12.90382        -0.080909     -0.013659     -0.019583
      3.19066     18.05962     15.78898        -0.147369      0.103675     -0.005456
      3.25906     20.45430     16.25968         0.020725      0.143569      0.112040
      0.96067      2.03086     13.22687         0.002533      0.102196      0.146543
      3.04772      1.01992     16.90690        -0.012187     -0.031733     -0.070858
      3.67513      3.34926     17.23854        -0.047848     -0.046762     -0.244937
     19.91536      9.02749     13.82114        -0.169623     -0.166271      0.037444
     20.70362      6.88671     13.54462         0.074631     -0.188005      0.035137
      3.31673      8.23390     14.85977        -0.198725      0.051226     -0.096628
     17.89295     13.06259     14.10095         0.155110      0.105624      0.085998
      1.29250     12.49334     15.39166         0.103925      0.066903     -0.069688
      0.40048     14.65789     15.41662         0.040740      0.073717      0.115542
     17.35259      2.37851      7.85928        -0.027326     -0.038067     -0.051418
     15.22785      1.04336      3.52049         0.098216      0.082768      0.009094
     15.19254      3.36996      4.21845         0.001091      0.121670      0.056723
     17.28110      4.69372      8.36051        -0.177754      0.000938     -0.098628
     15.07050      5.08540      4.61251         0.082613     -0.092557     -0.011554
     15.23581      7.49229      4.73155         0.065570     -0.078426      0.092595
     20.05119     10.93231     11.08637         0.072027      0.027653      0.027319
     19.09273      9.02260     10.08817        -0.141064      0.203527      0.167118
     16.35364     11.56038      7.98493         0.214238     -0.043481      0.052119
      1.41895     14.54987     12.37849        -0.117298      0.043193     -0.132154
     18.18988     15.06232     10.56758        -0.002318     -0.043304      0.193073
     19.26960     16.96391     11.45999         0.052834      0.060990     -0.073306
     19.20994      4.57500      5.32132        -0.174354     -0.012593     -0.084814
      0.05723      0.96194      8.02954        -0.063504     -0.069237      0.183329
     -0.18713      3.21080      8.98752        -0.018419      0.117351      0.142318
     19.11119      6.33299      5.96448         0.178479      0.078889      0.144072
     -0.42202      5.16132      9.75203        -0.050016      0.048071     -0.006955
      0.07951      7.50237     10.27262         0.050671      0.002302     -0.127520
     18.37220     13.61872      4.85493        -0.130666     -0.021475      0.008149
     18.77528     11.30845      5.18217        -0.036959      0.104015      0.169143
      0.67414     12.30112      7.93367        -0.204831      0.086375     -0.153994
     17.53223     17.98379      3.93630         0.076532     -0.070570      0.066400
     20.08374     16.51015      7.83070         0.053596     -0.028333      0.092746
     19.19106     18.72306      7.83013        -0.052956     -0.108356      0.016877
     13.92150     19.23097     10.69719         0.007886     -0.195888     -0.007005
     19.44918     21.20636      3.42208        -0.026717      0.029224      0.074457
     12.92468      1.22884      2.66943         0.080656      0.089043     -0.005726
     13.65217     11.46488      4.61727        -0.060834     -0.303043      0.246558
      9.61084      2.57816      2.73559        -0.046412      0.335617      0.118580
     10.40644     12.81875      5.22465        -0.050029     -0.039069     -0.231513
     10.30622      5.12534     16.08632        -0.065487     -0.027135      0.311746
     10.86484     15.57613     17.85603         0.025156     -0.092381      0.249882
      7.08570      6.38416     15.37033         0.068122      0.056988      0.163381
      7.21710     16.68663     18.10909        -0.007978     -0.254479     -0.193911
      6.76235      8.87788      7.59579         0.072407      0.022899      0.096882
      7.55478     19.40479      9.22162         0.049719     -0.072370      0.148954
      3.43963     10.22892      8.65810         0.043906     -0.011630     -0.206984
      4.06468     20.53832     10.35789         0.038028     -0.352894      0.125127
      1.77828     12.13412      1.87914        -0.188274      0.181189      0.266890
      1.20837      1.65364      3.35089         0.125556     -0.347904      0.044189
      3.48524     12.80524     20.28513        -0.176417      0.137403     -0.440106
      4.31752      2.03066      1.85850        -0.085425      0.094438     -0.121511
     19.12678     15.43357     14.69055         0.110883      0.002272      0.269584
     19.93523      4.55266     16.18551         0.179095     -0.251907      0.027431
      0.55076     17.02164     12.61431        -0.081737      0.193652     -0.218606
      1.97073      5.97374     14.31077        -0.227221     -0.029096     -0.043858
     17.54978     19.79849      5.94387        -0.016488      0.022514     -0.056423
     17.16934      8.93777      8.22045        -0.132756     -0.232959      0.064654
     19.58975      0.58896      4.20133         0.027120      0.254832      0.383463
     20.41142     10.19448      7.05332        -0.155311     -0.275991     -0.173054
     12.44843      2.38775      4.68667         0.158340     -0.122609      0.087671
     13.70341      0.94460      0.45637         0.126497      0.035523     -0.276550
     13.22495      9.66791      6.11336         0.001140     -0.196937      0.529266
     14.01987     12.55768      2.55144         0.102329      0.367224     -0.307668
      9.48315      4.42381      1.24975         0.010601     -0.100524      0.146561
      9.53219      1.43220      4.80248         0.002221     -0.556374      0.331756
     10.20343     11.82988      3.07932        -0.033966      0.075352     -0.013317
     10.21565     12.97943      7.57418        -0.038164     -0.068853      0.029734
     10.27027      6.23370     18.18766        -0.001419     -0.215669      0.419079
     10.81760      4.87522     13.78064        -0.034005      0.213324      0.293749
     10.77284     13.85178     19.47787         0.019863     -0.069225      0.478755
     11.05698     16.59842     15.74184         0.000807      0.346761     -0.286237
      6.94679      8.20687     13.87816        -0.059866     -0.031882     -0.099779
      7.02631      5.25725     17.46313        -0.076162     -0.286545      0.095017
      7.04117     15.79930     15.92573        -0.025452      0.087855     -0.114005
      7.11703     16.72651     20.46546        -0.072217     -0.217120     -0.295314
      6.96629     10.04084      9.65216        -0.014392     -0.074788      0.251654
      7.04560      8.58449      5.28141        -0.008004     -0.208504     -0.417754
      7.62359     17.69370     10.85514         0.054208     -0.168001      0.600103
      7.37893     20.42061      7.11684        -0.011844      0.347497     -0.381388
      3.30079     11.97630      7.08360        -0.064171      0.065211     -0.497089
      3.85232      9.17970     10.75916         0.024992     -0.034686      0.049752
      3.69724     19.46183      8.28256         0.176919     -0.079432      1.015693
      4.31940     20.76169     12.69347        -0.089324     -0.169708     -0.088341
      2.84221     13.18005      3.73100         0.592865     -0.158749      0.604128
     -0.03386     11.98166      0.32429         0.003290     -0.045524     -0.107076
      2.36678      0.16825      4.81045         0.232823     -0.030676      0.407029
      0.08140      2.34582      1.40514        -0.236373      0.333480     -0.423685
      2.86717     14.59050     18.87512        -0.242236      0.120616     -0.240223
      4.87410     11.67301      0.56173         0.077898      0.062876      0.009298
      3.19204      1.23627     -0.07715        -0.089332      0.093799     -0.159242
      5.77337      1.90179      3.71171         0.352690      0.341822      0.513412
     -0.63068     16.62370     16.10205         0.197186     -0.104847      0.210968
     17.14760     15.07969     13.44881        -0.012921      0.085137     -0.072633
     -0.10365      2.81075     17.22407         0.008370      0.024661      0.078514
     18.38935      5.60861     14.77198        -0.251600      0.263484     -0.225545
     20.95014     18.84010     11.37304        -0.448936      0.195700     -0.505001
      1.98199     15.87119     14.12569         0.026961     -0.013090     -0.133841
      0.42404      4.93239     12.85401         0.813505     -0.112764      0.863224
      3.75754      6.16518     15.83698         0.814539      0.618812      0.593390
     18.25258     20.72207      8.02069         0.164427     -0.084030      0.311693
     16.19620     19.58636      4.01679        -0.059248      0.046935     -0.213955
     17.79394      7.26189      9.77629         0.233936     -0.213590      0.778591
     16.29906      9.87939      6.24680        -0.183227      0.237793     -0.172185
     18.64704      2.49918      3.25165        -0.341201      0.339415     -0.450646
     20.67865     20.37852      5.65488         0.116794     -0.106444      0.043751
     19.02363      9.22618      5.37415         0.665127     -0.129079      0.801025
      0.49556     10.27778      8.99753        -0.601404     -0.650736     -0.740644
     14.04888     17.32676      5.55063        -0.063232      0.096924     -0.037811
     16.02129     16.37512      5.72719        -0.024678     -0.103230     -0.102609
     14.80404     16.06386      3.95764        -0.167103     -0.049954      0.136830
     11.76317     15.25430     11.48328         0.000562      0.078235     -0.050977
     11.44105     14.41189      9.49864        -0.021326     -0.038100      0.094986
     13.19563     13.81179     10.70710        -0.100601      0.036186      0.113144
     11.95581     18.01488      7.09738        -0.133534     -0.094800      0.125724
      9.94194     18.56600      6.40931        -0.044642     -0.127892      0.031622
     10.22954     16.86467      7.74034         0.034845      0.010265     -0.082508
     13.52248     18.53878      0.18805         0.165600     -0.075458      0.168798
     14.23724     17.06481      1.64410        -0.164784      0.099403     -0.088618
     12.22104     16.93503      0.78247        -0.035621      0.109017      0.013456
     11.31454      0.17113     18.31146        -0.067506      0.009674     -0.160358
     13.07863     -0.61366     19.34950        -0.061463     -0.044219      0.057545
     12.57331     19.97924     17.32389         0.018390     -0.010679      0.356910
      8.23459     19.30239      3.24312         0.083542      0.128253      0.025900
      7.67028     18.61281      1.24718         0.218859      0.147843      0.122707
      9.56971     17.99954      2.17023         0.126128      0.060593      0.095334
      7.57811      0.88515     20.13336        -0.158804     -0.177871      0.017919
      5.92239      1.08359     18.68940         0.047432      0.058414      0.010213
      5.90839     20.77041     20.19388        -0.122048      0.027412     -0.011307
     10.56758      1.27340     13.46377        -0.087958     -0.095421      0.193353
     11.37910     -0.15541     14.89040        -0.011762     -0.137295      0.236125
      9.37889     20.82706     14.03994        -0.018748      0.150594     -0.016430
      8.89670      3.83376      9.54908         0.028992     -0.041911     -0.025897
     10.39292      2.98613     10.91893        -0.125829     -0.071089     -0.046364
     10.16422      2.19222      8.89413         0.016239     -0.037582      0.097383
      6.05904      1.94719     16.21269         0.084737     -0.029997     -0.343907
      5.12568      1.21049     14.39620        -0.117660      0.062834     -0.034135
      7.09867      0.51606     14.95258        -0.010219      0.100019      0.081314
      4.50419      5.09263     12.01804         0.040944      0.159757     -0.017374
      2.76280      3.81480     11.67541         0.177683      0.075836      0.015168
      4.37970      3.19020     13.02492        -0.123916      0.183613     -0.087774
      7.33218      4.53632      5.44843        -0.032976      0.050063     -0.127704
      7.55858      2.95341      6.92859         0.097367      0.321507     -0.148823
      5.56795      3.48760      6.13591        -0.073446      0.052342     -0.300763
     -0.57960      7.25787      4.60753        -0.001744     -0.115007      0.008297
      0.78409      7.24612      2.96936         0.106456      0.081279     -0.061817
     -1.00707      5.93802      2.94243        -0.006635      0.094826     -0.009472
      3.05922      5.81382      9.90308        -0.057950      0.006154      0.144070
      1.68457      4.57802      8.78426        -0.065878      0.145174     -0.135130
      3.73465      4.75846      8.12516         0.315245      0.106824      0.060177
      6.18646      6.86811      3.55708        -0.181071     -0.013242     -0.096676
      4.25192      7.59948      4.35820         0.106946     -0.048618     -0.217071
      4.96805      5.67088      4.94181        -0.006397      0.015264     -0.072297
     -0.22093      8.50252     20.96802        -0.213040     -0.041511      0.167041
      1.40147      7.16411     -0.85745        -0.089219      0.037335     -0.317152
      0.05556      6.60873      0.73233         0.136884      0.210105      0.050269
     19.46173      9.51566     19.22629        -0.009706      0.115382      0.045652
     19.58663     10.26329     17.16255        -0.049899      0.102842     -0.018293
     18.14054      8.72544     17.68514         0.122968      0.039386      0.122204
      4.83433      8.36216     20.02942        -0.214188      0.106759     -0.306455
      3.66108      6.86508     19.05271        -0.012779      0.354634      0.095451
      4.69005      8.34412     17.81356        -0.201487     -0.072167      0.212184
      3.17017     11.64408     14.18801        -0.020632     -0.041761      0.073052
      2.62458     11.40036     16.29260         0.042980     -0.061464      0.082463
      4.07849     10.07877     15.39749         0.172533     -0.038727     -0.090661
     17.24748     11.26081     13.44390        -0.050594      0.018505      0.264683
     18.73607      9.90070     12.71803        -0.057239      0.103166      0.002778
     18.08798      9.76512     14.80834        -0.045868      0.127779     -0.007702
     16.24577     14.20748      9.84313         0.030142      0.022583     -0.135463
     17.89304     14.89105      8.55309         0.080110     -0.031589     -0.183531
     16.33853     13.65766      7.71119         0.125616      0.003807      0.026856
      1.85001     12.60097     12.25549         0.123841      0.206847      0.132110
      0.42668     11.12122     11.72175        -0.017583     -0.064071      0.105592
      1.41824     12.28503     10.15500        -0.045241      0.129140     -0.072881
      1.24409     15.78862      6.72240        -0.130947     -0.053754      0.087090
      0.26280     15.59103      8.69191         0.191847     -0.111418     -0.040894
      1.79894     14.18338      8.10438        -0.073685      0.122615     -0.207918
     17.87076     16.37608      2.49514         0.185847      0.089191      0.037179
     19.34418     14.85221      3.03741         0.075941      0.032756     -0.075527
     17.25743     14.69503      3.72369         0.082034      0.172574     -0.078611
 -----------------------------------------------------------------------------------
    total drift:                                0.013916     -0.000566     -0.001792


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4576.5573241833 eV

  energy  without entropy=    -4576.7090382121  energy(sigma->0) =    -4576.60789553
 
 d Force = 0.3895177E-01[-0.216E-03, 0.781E-01]  d Energy = 0.3888904E-01 0.627E-04
 d Force = 0.2640154E+03[ 0.264E+03, 0.264E+03]  d Ewald  = 0.2640153E+03 0.742E-04


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   78(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3160
 total energy-change (2. order) : 0.6145384E+00  (-0.5373622E+02)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6668052 magnetization 

  free energy =  -0.457594278258E+04  energy without entropy=  -0.457609576912E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   78(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3528
 total energy-change (2. order) :-0.1145140E+01  (-0.1379927E+01)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6993931 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8612
  0.8612

  free energy =  -0.457708792281E+04  energy without entropy=  -0.457723899594E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   78(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3728
 total energy-change (2. order) : 0.3688917E-01  (-0.2799089E-01)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6656194 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4074
  1.0892  1.7257

  free energy =  -0.457705103363E+04  energy without entropy=  -0.457720364518E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   78(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) :-0.5725784E-02  (-0.2278619E-01)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6336623 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2861
  2.1882  0.8350  0.8350

  free energy =  -0.457705675942E+04  energy without entropy=  -0.457720843006E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   78(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3680
 total energy-change (2. order) :-0.9037459E-03  (-0.4357738E-02)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6418391 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3284
  2.3923  1.0112  1.0112  0.8991

  free energy =  -0.457705766316E+04  energy without entropy=  -0.457721055446E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   78(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) : 0.1727307E-02  (-0.2382167E-02)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6447215 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2414
  2.3988  1.0579  1.0579  0.8462  0.8462

  free energy =  -0.457705593586E+04  energy without entropy=  -0.457720792189E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   78(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3520
 total energy-change (2. order) :-0.5430068E-04  (-0.4532525E-03)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6457833 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2267
  2.3851  0.9763  0.9763  1.2001  1.2001  0.6223

  free energy =  -0.457705599016E+04  energy without entropy=  -0.457720895045E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   78(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) : 0.1261424E-03  (-0.6910552E-04)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6487033 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2254
  2.4658  1.0600  1.0600  1.4031  1.1681  0.8385  0.5821

  free energy =  -0.457705586401E+04  energy without entropy=  -0.457720848432E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   78(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3664
 total energy-change (2. order) :-0.2318798E-04  (-0.4387123E-04)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6479213 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2209
  2.5085  1.5962  1.0294  1.0294  1.1186  0.9517  0.9517  0.5813

  free energy =  -0.457705588720E+04  energy without entropy=  -0.457720856156E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   78(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3248
 total energy-change (2. order) :-0.8844596E-05  (-0.6069273E-05)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6479213 magnetization 

  free energy =  -0.457705589605E+04  energy without entropy=  -0.457720860386E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0508       2 -56.1091       3 -56.0025       4 -55.8436       5 -55.8287
       6 -56.2872       7 -58.1370       8 -58.2115       9 -56.2545      10 -55.9253
      11 -56.0133      12 -55.8013      13 -55.7967      14 -55.9669      15 -58.0773
      16 -58.1131      17 -56.3570      18 -55.0020      19 -54.8691      20 -55.0648
      21 -55.6354      22 -55.5709      23 -55.5837      24 -55.6043      25 -55.0150
      26 -54.7310      27 -54.9102      28 -54.9370      29 -60.3927      30 -60.3690
      31 -55.6975      32 -55.8108      33 -55.7214      34 -55.4302      35 -55.5261
      36 -56.0137      37 -57.8104      38 -57.9643      39 -56.0970      40 -55.8016
      41 -55.9223      42 -55.6869      43 -55.7414      44 -55.9126      45 -58.0951
      46 -58.1198      47 -56.4707      48 -55.1507      49 -54.9392      50 -55.2943
      51 -55.8905      52 -55.8351      53 -55.7502      54 -55.7383      55 -55.0558
      56 -54.8401      57 -54.9809      58 -56.3626      59 -60.3502      60 -60.6173
      61 -55.9372      62 -55.9975      63 -55.8826      64 -55.7587      65 -55.7231
      66 -56.1844      67 -58.0525      68 -58.1526      69 -56.1702      70 -55.8598
      71 -55.9578      72 -55.6744      73 -55.6782      74 -55.9067      75 -58.0330
      76 -58.0686      77 -56.3212      78 -55.0748      79 -54.8888      80 -55.1824
      81 -55.7954      82 -55.7961      83 -55.8632      84 -55.8936      85 -55.2680
      86 -54.9931      87 -55.1987      88 -56.3894      89 -60.6573      90 -60.3870
      91 -55.7534      92 -55.8641      93 -55.7780      94 -55.5406      95 -55.5975
      96 -56.1169      97 -57.9419      98 -57.9966      99 -56.2050     100 -55.8979
     101 -56.0309     102 -55.7076     103 -55.7777     104 -55.9892     105 -58.1273
     106 -58.1443     107 -56.4287     108 -55.1803     109 -54.9548     110 -55.3763
     111 -55.8869     112 -55.8389     113 -55.7636     114 -55.7645     115 -55.0515
     116 -54.8569     117 -55.0391     118 -56.3172     119 -60.4270     120 -60.6074
     121 -55.9827     122 -55.9949     123 -55.8683     124 -55.7942     125 -55.7913
     126 -56.2183     127 -58.0790     128 -58.1776     129 -56.1888     130 -55.8176
     131 -55.9187     132 -55.7289     133 -55.6456     134 -55.8359     135 -57.9039
     136 -58.0376     137 -56.3715     138 -55.0662     139 -54.9082     140 -55.3262
     141 -55.8741     142 -55.8049     143 -55.8865     144 -55.8732     145 -55.2169
     146 -55.0946     147 -55.2790     148 -56.4120     149 -60.5088     150 -60.5674
     151 -55.6555     152 -55.7196     153 -55.5706     154 -55.4311     155 -55.4598
     156 -55.9145     157 -57.9262     158 -57.8922     159 -55.9992     160 -55.7397
     161 -55.9023     162 -55.5415     163 -55.5662     164 -55.7783     165 -57.9402
     166 -58.0720     167 -56.3498     168 -55.0281     169 -54.7870     170 -55.1845
     171 -55.8328     172 -55.8625     173 -55.8683     174 -55.7974     175 -55.3039
     176 -54.9921     177 -55.1124     178 -56.5011     179 -60.4595     180 -60.5691
     181 -55.8412     182 -56.0635     183 -55.9362     184 -55.6238     185 -55.6581
     186 -56.2214     187 -57.9674     188 -58.2304     189 -56.2547     190 -55.8710
     191 -56.0177     192 -55.7420     193 -55.7171     194 -55.9270     195 -58.0104
     196 -58.1645     197 -56.5095     198 -55.0804     199 -54.9167     200 -55.2857
     201 -55.8327     202 -55.8448     203 -55.9028     204 -55.8671     205 -55.1253
     206 -55.1992     207 -55.2120     208 -56.4748     209 -60.6991     210 -60.4873
     211 -55.9955     212 -56.0382     213 -55.9302     214 -55.8116     215 -55.7743
     216 -56.2955     217 -58.1471     218 -58.1397     219 -56.1559     220 -55.8328
     221 -55.9293     222 -55.5765     223 -55.5168     224 -55.8140     225 -57.9394
     226 -58.1094     227 -56.5088     228 -55.0642     229 -54.9350     230 -55.2522
     231 -55.7752     232 -55.7828     233 -55.7316     234 -55.7401     235 -55.0186
     236 -55.0934     237 -55.2399     238 -56.4702     239 -60.3627     240 -60.4069
     241 -55.9917     242 -56.0276     243 -55.9056     244 -55.7748     245 -55.7679
     246 -56.2092     247 -58.0818     248 -58.1432     249 -56.1993     250 -55.8786
     251 -55.9802     252 -55.7544     253 -55.7526     254 -55.9301     255 -57.9966
     256 -58.0352     257 -56.3414     258 -55.0769     259 -54.8518     260 -55.2391
     261 -55.7873     262 -55.7776     263 -55.8795     264 -55.9334     265 -55.2924
     266 -54.9766     267 -55.2007     268 -56.3792     269 -60.5921     270 -60.3689
     271 -55.8709     272 -55.9369     273 -55.7927     274 -55.6778     275 -55.6207
     276 -56.0435     277 -58.0838     278 -58.0961     279 -55.9398     280 -55.6558
     281 -55.7676     282 -55.5200     283 -55.5496     284 -55.8107     285 -58.0352
     286 -57.9345     287 -56.3755     288 -55.0579     289 -54.8571     290 -55.2050
     291 -55.8214     292 -55.7789     293 -55.8380     294 -55.8433     295 -55.2126
     296 -54.9558     297 -55.0474     298 -56.4177     299 -60.5083     300 -60.5383
     301 -55.8792     302 -56.0186     303 -55.9260     304 -55.6433     305 -55.6747
     306 -56.1958     307 -58.0416     308 -58.2250     309 -56.2334     310 -55.9102
     311 -55.9893     312 -55.7063     313 -55.6890     314 -55.8839     315 -57.9490
     316 -58.0898     317 -56.3730     318 -55.0029     319 -54.8167     320 -55.2605
     321 -55.7681     322 -55.7297     323 -55.8599     324 -55.8783     325 -55.2076
     326 -55.0788     327 -55.2381     328 -56.4141     329 -60.5369     330 -60.4465
     331 -55.7319     332 -55.7707     333 -55.6389     334 -55.5577     335 -55.5409
     336 -55.9742     337 -57.9279     338 -57.9035     339 -55.8982     340 -55.6203
     341 -55.7579     342 -55.4868     343 -55.5092     344 -55.7539     345 -57.9112
     346 -57.9486     347 -56.4648     348 -55.0119     349 -54.9494     350 -55.2870
     351 -55.7987     352 -55.7522     353 -55.7386     354 -55.7398     355 -55.1829
     356 -54.9296     357 -55.0151     358 -56.4181     359 -60.4695     360 -60.5245
     361 -39.0346     362 -38.7917     363 -38.9476     364 -38.9867     365 -38.9370
     366 -38.6993     367 -38.1413     368 -38.0795     369 -38.0747     370 -38.1225
     371 -38.1156     372 -38.1841     373 -38.6664     374 -38.3201     375 -38.7027
     376 -38.7969     377 -38.7994     378 -38.7314     379 -38.1746     380 -38.1309
     381 -38.2652     382 -37.9981     383 -38.2532     384 -37.9812     385 -38.8665
     386 -38.7957     387 -38.9073     388 -38.8487     389 -38.8251     390 -38.5545
     391 -38.2255     392 -38.2956     393 -38.1938     394 -38.1971     395 -38.1870
     396 -38.2978     397 -38.7199     398 -38.4631     399 -38.7959     400 -38.8403
     401 -38.7891     402 -38.7473     403 -38.2072     404 -38.1612     405 -38.4466
     406 -38.0222     407 -38.1132     408 -37.9209     409 -38.7548     410 -38.7866
     411 -38.9619     412 -38.7230     413 -38.9247     414 -38.6610     415 -38.2739
     416 -38.2164     417 -38.2593     418 -38.2360     419 -38.2816     420 -38.3164
     421 -38.5885     422 -38.3501     423 -38.5837     424 -38.7040     425 -38.5573
     426 -38.5705     427 -38.2401     428 -37.9859     429 -38.2846     430 -38.2068
     431 -38.1215     432 -38.0299     433 -38.7488     434 -38.6824     435 -38.8624
     436 -38.6554     437 -38.9431     438 -38.6631     439 -38.3592     440 -38.0810
     441 -38.1501     442 -38.1384     443 -38.1986     444 -38.0978     445 -38.8655
     446 -38.8845     447 -38.9592     448 -38.6813     449 -38.7596     450 -38.3616
     451 -38.0517     452 -37.9640     453 -38.1717     454 -37.9564     455 -38.2398
     456 -38.1766     457 -38.9229     458 -38.7082     459 -38.9033     460 -38.8702
     461 -38.8731     462 -38.7038     463 -38.1792     464 -38.2114     465 -38.2711
     466 -38.3905     467 -38.1755     468 -38.3303     469 -38.8382     470 -38.6550
     471 -38.7449     472 -38.7410     473 -38.6008     474 -38.4809     475 -38.3053
     476 -38.0635     477 -38.1899     478 -38.1546     479 -38.1734     480 -37.9944
     481 -38.8578     482 -38.7358     483 -38.9112     484 -38.8299     485 -38.9287
     486 -38.7319     487 -38.1496     488 -38.1775     489 -38.2518     490 -38.3018
     491 -38.2215     492 -38.3947     493 -38.8109     494 -38.5464     495 -38.6330
     496 -38.7455     497 -38.4761     498 -38.4681     499 -38.1815     500 -37.9221
     501 -38.2079     502 -38.1372     503 -38.1274     504 -37.9965     505 -38.2225
     506 -41.1386     507 -71.6539     508 -71.6191     509 -71.3475     510 -71.5779
     511 -71.4892     512 -71.5076     513 -71.4093     514 -71.5196     515 -71.6049
     516 -71.4686     517 -71.4247     518 -71.4438     519 -71.5673     520 -71.6163
     521 -71.5324     522 -71.5149     523 -71.5306     524 -71.4642     525 -71.5292
     526 -71.4262     527 -71.6108     528 -71.5201     529 -71.1798     530 -71.5169
     531 -76.8588     532 -76.8109     533 -76.7601     534 -76.7349     535 -76.6022
     536 -76.4544     537 -76.7775     538 -76.7953     539 -76.8729     540 -76.7710
     541 -76.7223     542 -76.6838     543 -76.6303     544 -76.6764     545 -76.8144
     546 -76.8148     547 -76.8216     548 -76.7173     549 -76.6817     550 -76.5260
     551 -76.5297     552 -76.6133     553 -76.7472     554 -76.6579     555 -76.8288
     556 -76.6413     557 -76.8001     558 -76.6363     559 -76.7956     560 -76.8327
     561 -76.7307     562 -76.5394     563 -76.7816     564 -76.7601     565 -76.6812
     566 -76.6521     567 -76.7556     568 -76.7842     569 -76.6060     570 -76.7186
     571 -76.8774     572 -76.7354     573 -76.7445     574 -76.5815     575 -76.5137
     576 -76.5606     577 -76.5885     578 -76.4711     579 -82.3578     580 -82.2283
     581 -82.2964     582 -82.3936     583 -82.3014     584 -82.2494     585 -82.4296
     586 -82.5081     587 -82.5913     588 -82.2306     589 -82.1199     590 -82.2568
     591 -82.3639     592 -82.2022     593 -82.2382     594 -82.6969     595 -82.4356
     596 -82.5793     597 -82.4607     598 -82.4774     599 -82.6408     600 -82.2134
     601 -82.1535     602 -82.3649     603 -82.4680     604 -82.4102     605 -82.5191
     606 -82.4142     607 -82.3164     608 -82.3788     609 -82.7456     610 -82.2869
     611 -82.3480     612 -82.5079     613 -82.2939     614 -82.2459     615 -82.5328
     616 -82.4987     617 -82.4308     618 -82.6730     619 -82.6198     620 -82.7017
     621 -82.1773     622 -82.3874     623 -82.3171     624 -82.2999     625 -82.2289
     626 -82.2900     627 -82.2453     628 -82.2659     629 -82.2803     630 -82.3945
     631 -82.5564     632 -82.3384     633 -82.4364     634 -82.4189     635 -82.5110
     636 -82.4034     637 -82.3787     638 -82.2997     639 -82.2278     640 -82.4465
     641 -82.4370     642 -82.3893     643 -82.5176     644 -82.3243     645 -82.4240
     646 -82.3812     647 -82.5004     648 -82.3881     649 -82.3807     650 -82.2802
 
 
 
 E-fermi :  -1.4771     XC(G=0):  -6.5304     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.1072      2.00000
      2     -28.9226      2.00000
      3     -28.9079      2.00000
      4     -28.8846      2.00000
      5     -28.8437      2.00000
      6     -28.8329      2.00000
      7     -28.8061      2.00000
      8     -28.7845      2.00000
      9     -28.7816      2.00000
     10     -28.7550      2.00000
     11     -28.7393      2.00000
     12     -28.7303      2.00000
     13     -28.7127      2.00000
     14     -28.6984      2.00000
     15     -28.6938      2.00000
     16     -28.6818      2.00000
     17     -28.6802      2.00000
     18     -28.6376      2.00000
     19     -28.6299      2.00000
     20     -28.5924      2.00000
     21     -28.5852      2.00000
     22     -28.5703      2.00000
     23     -28.5318      2.00000
     24     -28.5225      2.00000
     25     -26.8350      2.00000
     26     -26.6766      2.00000
     27     -26.6507      2.00000
     28     -26.6394      2.00000
     29     -26.6257      2.00000
     30     -26.6039      2.00000
     31     -26.5711      2.00000
     32     -26.5655      2.00000
     33     -26.5386      2.00000
     34     -26.5253      2.00000
     35     -26.5247      2.00000
     36     -26.5025      2.00000
     37     -26.5003      2.00000
     38     -26.4998      2.00000
     39     -26.4997      2.00000
     40     -26.4970      2.00000
     41     -26.4939      2.00000
     42     -26.4749      2.00000
     43     -26.4651      2.00000
     44     -26.4552      2.00000
     45     -26.4457      2.00000
     46     -26.4362      2.00000
     47     -26.4256      2.00000
     48     -26.4184      2.00000
     49     -26.4166      2.00000
     50     -26.4137      2.00000
     51     -26.4119      2.00000
     52     -26.3998      2.00000
     53     -26.3915      2.00000
     54     -26.3893      2.00000
     55     -26.3866      2.00000
     56     -26.3591      2.00000
     57     -26.3285      2.00000
     58     -26.3230      2.00000
     59     -26.3190      2.00000
     60     -26.3181      2.00000
     61     -26.3075      2.00000
     62     -26.3052      2.00000
     63     -26.2850      2.00000
     64     -26.2843      2.00000
     65     -26.2761      2.00000
     66     -26.2759      2.00000
     67     -26.2657      2.00000
     68     -26.2578      2.00000
     69     -26.2570      2.00000
     70     -26.2262      2.00000
     71     -26.2105      2.00000
     72     -26.1606      2.00000
     73     -23.2409      2.00000
     74     -23.2339      2.00000
     75     -23.2297      2.00000
     76     -23.1930      2.00000
     77     -23.1796      2.00000
     78     -23.1699      2.00000
     79     -23.1509      2.00000
     80     -23.1351      2.00000
     81     -23.1289      2.00000
     82     -23.1096      2.00000
     83     -23.1059      2.00000
     84     -23.0944      2.00000
     85     -23.0571      2.00000
     86     -23.0553      2.00000
     87     -23.0451      2.00000
     88     -23.0420      2.00000
     89     -23.0253      2.00000
     90     -23.0072      2.00000
     91     -22.9736      2.00000
     92     -22.9676      2.00000
     93     -22.9322      2.00000
     94     -22.9131      2.00000
     95     -22.8836      2.00000
     96     -22.8711      2.00000
     97     -22.8701      2.00000
     98     -22.8091      2.00000
     99     -22.7948      2.00000
    100     -22.7503      2.00000
    101     -22.7483      2.00000
    102     -22.7424      2.00000
    103     -22.7356      2.00000
    104     -22.7074      2.00000
    105     -22.7073      2.00000
    106     -22.6840      2.00000
    107     -22.6685      2.00000
    108     -22.6414      2.00000
    109     -22.6241      2.00000
    110     -22.6131      2.00000
    111     -22.6106      2.00000
    112     -22.5929      2.00000
    113     -22.5681      2.00000
    114     -22.5605      2.00000
    115     -22.5351      2.00000
    116     -22.5120      2.00000
    117     -22.4919      2.00000
    118     -22.4434      2.00000
    119     -22.4071      2.00000
    120     -22.3970      2.00000
    121     -20.4354      2.00000
    122     -20.4005      2.00000
    123     -20.3674      2.00000
    124     -20.3602      2.00000
    125     -20.3379      2.00000
    126     -20.3378      2.00000
    127     -20.3284      2.00000
    128     -20.3117      2.00000
    129     -20.3071      2.00000
    130     -20.3044      2.00000
    131     -20.2995      2.00000
    132     -20.2729      2.00000
    133     -20.2712      2.00000
    134     -20.2697      2.00000
    135     -20.2587      2.00000
    136     -20.2558      2.00000
    137     -20.2354      2.00000
    138     -20.2193      2.00000
    139     -20.2080      2.00000
    140     -20.1969      2.00000
    141     -20.1161      2.00000
    142     -20.0877      2.00000
    143     -20.0842      2.00000
    144     -20.0509      2.00000
    145     -18.6595      2.00000
    146     -18.5513      2.00000
    147     -18.5442      2.00000
    148     -18.5212      2.00000
    149     -18.4968      2.00000
    150     -18.4792      2.00000
    151     -18.4717      2.00000
    152     -18.4634      2.00000
    153     -18.4561      2.00000
    154     -18.4429      2.00000
    155     -18.3946      2.00000
    156     -18.3876      2.00000
    157     -18.3383      2.00000
    158     -18.2810      2.00000
    159     -18.2414      2.00000
    160     -18.2391      2.00000
    161     -18.2245      2.00000
    162     -18.2147      2.00000
    163     -18.2002      2.00000
    164     -18.1804      2.00000
    165     -18.1582      2.00000
    166     -18.1575      2.00000
    167     -18.1047      2.00000
    168     -18.0902      2.00000
    169     -17.9389      2.00000
    170     -17.9329      2.00000
    171     -17.9238      2.00000
    172     -17.8905      2.00000
    173     -17.8757      2.00000
    174     -17.8543      2.00000
    175     -17.8402      2.00000
    176     -17.8325      2.00000
    177     -17.8119      2.00000
    178     -17.7819      2.00000
    179     -17.7592      2.00000
    180     -17.7499      2.00000
    181     -17.6022      2.00000
    182     -17.5869      2.00000
    183     -17.5601      2.00000
    184     -17.5296      2.00000
    185     -17.5257      2.00000
    186     -17.5155      2.00000
    187     -17.5055      2.00000
    188     -17.4967      2.00000
    189     -17.4868      2.00000
    190     -17.4591      2.00000
    191     -17.4423      2.00000
    192     -17.4347      2.00000
    193     -16.7554      2.00000
    194     -16.7181      2.00000
    195     -16.6973      2.00000
    196     -16.6814      2.00000
    197     -16.6632      2.00000
    198     -16.6329      2.00000
    199     -16.5903      2.00000
    200     -16.5880      2.00000
    201     -16.5452      2.00000
    202     -16.5230      2.00000
    203     -16.5180      2.00000
    204     -16.4794      2.00000
    205     -16.1610      2.00000
    206     -16.1521      2.00000
    207     -16.1460      2.00000
    208     -16.1198      2.00000
    209     -16.0734      2.00000
    210     -16.0543      2.00000
    211     -16.0081      2.00000
    212     -15.9814      2.00000
    213     -15.9548      2.00000
    214     -15.9140      2.00000
    215     -15.9007      2.00000
    216     -15.7983      2.00000
    217     -15.7537      2.00000
    218     -15.6710      2.00000
    219     -15.6438      2.00000
    220     -15.6376      2.00000
    221     -15.6175      2.00000
    222     -15.5942      2.00000
    223     -15.5866      2.00000
    224     -15.5841      2.00000
    225     -15.5795      2.00000
    226     -15.5626      2.00000
    227     -15.5279      2.00000
    228     -15.4848      2.00000
    229     -15.4565      2.00000
    230     -15.4519      2.00000
    231     -15.4386      2.00000
    232     -15.4298      2.00000
    233     -15.4225      2.00000
    234     -15.4203      2.00000
    235     -15.4186      2.00000
    236     -15.4093      2.00000
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    238     -15.4021      2.00000
    239     -15.3922      2.00000
    240     -15.3890      2.00000
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    250     -15.2933      2.00000
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    255     -15.2405      2.00000
    256     -15.2313      2.00000
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    261     -15.1957      2.00000
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    263     -15.1776      2.00000
    264     -15.1591      2.00000
    265     -15.1281      2.00000
    266     -15.1202      2.00000
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    271     -15.0001      2.00000
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    276     -14.8769      2.00000
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    282     -14.4038      2.00000
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    288     -14.2384      2.00000
    289     -13.5447      2.00000
    290     -13.5016      2.00000
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    294     -13.4338      2.00000
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    300     -13.3667      2.00000
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   1506       5.6154      0.00000
   1507       5.6240      0.00000
   1508       5.6337      0.00000
   1509       5.6355      0.00000
   1510       5.6409      0.00000
   1511       5.6552      0.00000
   1512       5.6619      0.00000
   1513       5.6732      0.00000
   1514       5.6852      0.00000
   1515       5.6887      0.00000
   1516       5.7103      0.00000
   1517       5.7129      0.00000
   1518       5.7214      0.00000
   1519       5.7310      0.00000
   1520       5.7378      0.00000
   1521       5.7472      0.00000
   1522       5.7570      0.00000
   1523       5.7687      0.00000
   1524       5.7784      0.00000
   1525       5.7970      0.00000
   1526       5.8001      0.00000
   1527       5.8139      0.00000
   1528       5.8160      0.00000
   1529       5.8339      0.00000
   1530       5.8384      0.00000
   1531       5.8451      0.00000
   1532       5.8486      0.00000
   1533       5.8653      0.00000
   1534       5.8684      0.00000
   1535       5.8810      0.00000
   1536       5.8862      0.00000
   1537       5.8989      0.00000
   1538       5.9064      0.00000
   1539       5.9223      0.00000
   1540       5.9236      0.00000
   1541       5.9467      0.00000
   1542       5.9586      0.00000
   1543       5.9662      0.00000
   1544       5.9767      0.00000
   1545       5.9811      0.00000
   1546       5.9878      0.00000
   1547       5.9977      0.00000
   1548       6.0084      0.00000
   1549       6.0224      0.00000
   1550       6.0278      0.00000
   1551       6.0331      0.00000
   1552       6.0393      0.00000
   1553       6.0415      0.00000
   1554       6.0569      0.00000
   1555       6.0628      0.00000
   1556       6.0698      0.00000
   1557       6.0816      0.00000
   1558       6.0955      0.00000
   1559       6.0999      0.00000
   1560       6.1101      0.00000
   1561       6.1202      0.00000
   1562       6.1244      0.00000
   1563       6.1395      0.00000
   1564       6.1446      0.00000
   1565       6.1501      0.00000
   1566       6.1609      0.00000
   1567       6.1764      0.00000
   1568       6.1876      0.00000
   1569       6.1933      0.00000
   1570       6.2019      0.00000
   1571       6.2127      0.00000
   1572       6.2168      0.00000
   1573       6.2228      0.00000
   1574       6.2259      0.00000
   1575       6.2355      0.00000
   1576       6.2543      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.088  13.413  -0.001   0.001  -0.000   0.002  -0.004   0.001
 13.413  17.832  -0.001   0.002  -0.000   0.002  -0.006   0.001
 -0.001  -0.001  -4.234   0.003   0.001   8.281  -0.004  -0.001
  0.001   0.002   0.003  -4.234   0.001  -0.004   8.280  -0.001
 -0.000  -0.000   0.001   0.001  -4.227  -0.001  -0.001   8.272
  0.002   0.002   8.281  -0.004  -0.001 -18.327   0.007   0.001
 -0.004  -0.006  -0.004   8.280  -0.001   0.007 -18.323   0.000
  0.001   0.001  -0.001  -0.001   8.272   0.001   0.000 -18.317
 total augmentation occupancy for first ion, spin component:           1
  8.405  -3.779   0.187   0.149  -0.067   0.024   0.028  -0.011
 -3.779   1.772  -0.095  -0.101   0.041  -0.010  -0.016   0.006
  0.187  -0.095   1.765  -0.060  -0.038   0.167  -0.012  -0.007
  0.149  -0.101  -0.060   1.898  -0.095  -0.012   0.177  -0.013
 -0.067   0.041  -0.038  -0.095   1.228  -0.007  -0.013   0.081
  0.024  -0.010   0.167  -0.012  -0.007   0.017  -0.002  -0.001
  0.028  -0.016  -0.012   0.177  -0.013  -0.002   0.018  -0.002
 -0.011   0.006  -0.007  -0.013   0.081  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -49354.60094 85476.87682 19896.63192 -9622.71195  6140.83083 18234.61091
  Hartree  6416.04905112418.55349 57719.90265-10066.40940  4104.66256 12459.08369
  E(xc)  -10734.77860-10586.89231-10628.78743     2.77756     8.32077    33.75944
  Local    9502.03559************************ 19687.06132-10260.52691-30081.78881
  n-local -5840.18090 -5980.69765 -6035.29121     5.44278    16.15705   -66.56560
  augment  1493.86482  1534.69271  1487.36743     4.40070    12.28726    -3.92100
  Kinetic 45482.48295 43251.38780 43651.57536   -34.04188   -69.83072  -585.06496
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -127.2693172   -393.1790586   -159.5845483    -23.4808915    -48.0991560     -9.8863344
  in kB      -21.2231774    -65.5657552    -26.6120008     -3.9156266     -8.0209193     -1.6486254
  external PRESSURE =     -37.8003111 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.223E+03 -.104E+03 0.242E+03   0.224E+03 0.104E+03 -.243E+03   -.258E+00 -.692E+00 0.145E+01   0.183E-02 0.142E-02 -.178E-02
   -.179E+03 -.131E+03 0.584E+02   0.179E+03 0.132E+03 -.581E+02   0.290E+00 -.120E+01 -.327E+00   0.171E-02 0.184E-02 -.801E-03
   -.147E+03 -.123E+03 0.502E+01   0.147E+03 0.124E+03 -.335E+01   0.338E+00 -.114E+01 -.160E+01   0.181E-02 0.113E-02 -.434E-03
   -.206E+03 -.899E+02 0.328E+03   0.206E+03 0.899E+02 -.331E+03   -.229E+00 -.101E+00 0.251E+01   0.215E-02 0.802E-03 -.200E-02
   -.155E+03 -.144E+03 0.292E+03   0.155E+03 0.145E+03 -.293E+03   0.177E+00 -.824E+00 0.103E+01   0.228E-02 0.538E-03 -.142E-02
   -.133E+03 -.109E+03 0.167E+03   0.133E+03 0.109E+03 -.167E+03   0.900E-01 -.174E+00 0.121E+00   0.200E-02 0.387E-03 -.668E-03
   -.223E+03 -.133E+03 0.169E+03   0.223E+03 0.138E+03 -.169E+03   0.419E+00 -.453E+01 0.954E+00   0.197E-02 0.967E-03 -.272E-02
   -.177E+03 -.101E+03 0.307E+02   0.178E+03 0.105E+03 -.326E+02   -.610E+00 -.402E+01 0.206E+01   0.162E-02 0.229E-02 -.954E-03
   -.931E+02 0.368E+01 0.194E+03   0.931E+02 -.364E+01 -.194E+03   0.153E+00 0.327E-01 0.111E+00   0.205E-02 -.614E-03 -.616E-03
   -.760E+02 0.886E+02 0.606E+02   0.756E+02 -.903E+02 -.595E+02   0.304E+00 0.148E+01 -.115E+01   0.192E-02 -.894E-03 -.666E-03
   -.768E+02 0.102E+03 0.129E+03   0.765E+02 -.103E+03 -.129E+03   0.357E+00 0.104E+01 0.754E-01   0.195E-02 -.875E-03 -.406E-03
   -.926E+02 -.481E+01 0.326E+03   0.927E+02 0.448E+01 -.327E+03   0.163E-02 0.362E+00 0.113E+01   0.228E-02 -.989E-03 -.102E-02
   -.101E+03 -.486E+02 0.354E+03   0.102E+03 0.497E+02 -.356E+03   -.238E+00 -.894E+00 0.236E+01   0.260E-02 -.139E-02 -.680E-03
   -.100E+03 0.158E+02 0.297E+03   0.100E+03 -.157E+02 -.298E+03   -.610E-01 0.376E-01 0.158E+01   0.247E-02 -.908E-03 -.355E-03
   -.935E+02 0.102E+03 0.261E+03   0.928E+02 -.106E+03 -.263E+03   0.639E+00 0.386E+01 0.242E+01   0.265E-02 -.608E-03 0.378E-03
   -.746E+02 0.113E+03 0.967E+02   0.744E+02 -.116E+03 -.100E+03   0.118E+00 0.297E+01 0.352E+01   0.161E-02 -.456E-03 0.186E-03
   -.595E+02 0.994E+02 0.449E+02   0.599E+02 -.948E+02 -.404E+02   -.514E+00 -.466E+01 -.426E+01   0.242E-02 0.716E-03 0.625E-03
   0.658E+01 0.201E+03 -.152E+03   -.708E+01 -.203E+03 0.154E+03   0.470E+00 0.186E+01 -.212E+01   0.173E-02 0.937E-03 0.127E-02
   0.377E+02 0.153E+03 -.198E+03   -.381E+02 -.153E+03 0.200E+03   0.404E+00 0.172E+00 -.200E+01   0.177E-02 -.127E-03 0.129E-02
   -.628E+02 0.989E+02 0.177E+03   0.639E+02 -.981E+02 -.180E+03   -.121E+01 -.918E+00 0.330E+01   0.321E-02 0.782E-03 0.165E-03
   0.624E+01 0.620E+02 0.490E+01   -.742E+01 -.635E+02 -.368E+01   0.112E+01 0.153E+01 -.130E+01   0.304E-02 -.133E-03 0.245E-04
   0.223E+02 0.975E+01 -.122E+03   -.223E+02 -.986E+01 0.123E+03   0.223E-01 0.320E+00 -.724E+00   0.220E-02 -.539E-03 0.636E-03
   -.114E+02 -.396E+02 -.170E+03   0.118E+02 0.398E+02 0.170E+03   -.409E+00 -.167E+00 0.606E+00   0.196E-02 -.133E-02 0.914E-03
   -.272E+02 -.805E+02 -.225E+03   0.284E+02 0.822E+02 0.224E+03   -.111E+01 -.170E+01 0.972E+00   0.185E-02 -.145E-02 0.126E-02
   -.593E+01 -.160E+03 -.328E+03   0.534E+01 0.161E+03 0.329E+03   0.587E+00 -.748E+00 -.168E+01   0.229E-02 -.194E-02 0.108E-02
   -.919E+02 -.161E+03 -.153E+03   0.932E+02 0.162E+03 0.152E+03   -.116E+01 -.210E+00 0.168E+01   0.243E-02 -.172E-02 0.689E-03
   -.876E+02 -.272E+03 -.184E+03   0.881E+02 0.273E+03 0.184E+03   -.555E+00 -.830E+00 0.195E+00   0.211E-02 -.176E-02 0.114E-02
   -.319E+02 -.262E+03 -.278E+03   0.318E+02 0.263E+03 0.278E+03   0.158E+00 -.126E+01 -.406E+00   0.228E-02 -.144E-02 0.134E-02
   -.419E+02 -.271E+02 -.216E+03   0.479E+02 0.351E+02 0.212E+03   -.591E+01 -.796E+01 0.468E+01   0.144E-02 -.159E-02 0.622E-03
   -.141E+01 0.517E+02 0.212E+02   -.296E+01 -.604E+02 -.163E+02   0.456E+01 0.868E+01 -.490E+01   0.364E-02 -.111E-02 -.344E-03
   -.179E+03 -.196E+02 -.489E+02   0.180E+03 0.196E+02 0.505E+02   -.338E+00 -.297E+00 -.174E+01   0.334E-03 0.179E-02 0.170E-03
   -.116E+03 -.140E+03 0.135E+03   0.116E+03 0.141E+03 -.135E+03   0.598E-01 -.131E+01 -.242E+00   0.672E-04 0.138E-02 -.717E-03
   -.124E+03 -.154E+03 0.190E+03   0.123E+03 0.156E+03 -.192E+03   0.410E+00 -.165E+01 0.110E+01   -.103E-03 0.623E-03 -.553E-03
   -.277E+03 0.146E+02 -.177E+03   0.277E+03 -.160E+02 0.180E+03   -.150E+00 0.133E+01 -.262E+01   0.106E-02 0.178E-02 0.213E-02
   -.275E+03 -.584E+02 -.185E+03   0.275E+03 0.586E+02 0.187E+03   -.172E+00 -.295E+00 -.114E+01   0.117E-02 0.369E-03 0.221E-02
   -.189E+03 -.707E+02 0.881E+01   0.189E+03 0.706E+02 -.888E+01   0.392E+00 0.436E-01 0.251E-01   0.222E-03 -.272E-04 0.550E-03
   -.945E+02 -.519E+02 -.196E+02   0.954E+02 0.556E+02 0.223E+02   -.871E+00 -.412E+01 -.257E+01   -.763E-04 0.193E-02 -.122E-02
   -.629E+02 -.132E+03 0.107E+03   0.629E+02 0.135E+03 -.103E+03   -.689E-01 -.305E+01 -.370E+01   -.421E-03 0.128E-02 -.172E-02
   -.165E+03 0.486E+02 0.119E+02   0.165E+03 -.488E+02 -.120E+02   0.127E+00 0.255E+00 0.159E+00   -.179E-03 -.558E-03 0.345E-03
   -.846E+02 0.525E+02 0.214E+03   0.843E+02 -.537E+02 -.216E+03   0.311E+00 0.101E+01 0.175E+01   -.432E-03 -.570E-03 -.200E-03
   -.592E+02 0.720E+02 0.127E+03   0.592E+02 -.733E+02 -.128E+03   0.873E-01 0.132E+01 0.311E+00   -.785E-03 -.516E-03 0.443E-03
   -.203E+03 0.957E+02 -.214E+03   0.204E+03 -.967E+02 0.215E+03   -.195E+00 0.968E+00 -.710E+00   0.323E-04 -.804E-03 0.144E-02
   -.170E+03 0.493E+02 -.288E+03   0.170E+03 -.495E+02 0.290E+03   0.342E-01 0.265E+00 -.225E+01   -.350E-03 0.133E-03 0.156E-02
   -.101E+03 0.559E+02 -.138E+03   0.101E+03 -.567E+02 0.139E+03   -.373E+00 0.906E+00 -.134E+01   -.936E-03 0.709E-04 0.142E-02
   -.503E+02 0.101E+03 -.702E+02   0.504E+02 -.106E+03 0.702E+02   0.294E-01 0.474E+01 -.523E+00   -.119E-02 -.211E-04 0.194E-02
   -.161E+02 0.767E+02 0.141E+03   0.157E+02 -.811E+02 -.140E+03   0.372E+00 0.431E+01 -.194E+01   -.693E-03 -.753E-03 0.188E-03
   0.288E+02 0.440E+02 0.108E+03   -.272E+02 -.385E+02 -.110E+03   -.147E+01 -.567E+01 0.196E+01   -.384E-03 0.383E-03 0.129E-02
   -.163E+02 0.131E+03 0.266E+03   0.173E+02 -.132E+03 -.269E+03   -.907E+00 0.113E+01 0.250E+01   0.115E-02 0.722E-03 0.439E-03
   -.363E+02 0.120E+03 0.224E+03   0.373E+02 -.119E+03 -.226E+03   -.111E+01 -.383E+00 0.206E+01   0.144E-02 -.364E-03 -.268E-03
   0.564E+02 0.667E+02 -.339E+02   -.576E+02 -.670E+02 0.368E+02   0.132E+01 0.149E+00 -.292E+01   -.154E-02 0.529E-03 0.249E-02
   0.145E+02 0.234E+02 0.396E+02   -.140E+02 -.244E+02 -.417E+02   -.399E+00 0.103E+01 0.220E+01   -.116E-02 -.632E-03 0.203E-02
   -.169E+02 0.789E+01 0.851E+02   0.175E+02 -.758E+01 -.860E+02   -.452E+00 -.200E+00 0.931E+00   0.486E-03 -.850E-03 0.156E-03
   -.702E+02 -.678E+00 0.324E+02   0.700E+02 0.534E+00 -.317E+02   0.148E+00 0.471E-01 -.582E+00   0.133E-02 -.130E-02 -.966E-03
   -.137E+03 -.129E+02 0.777E+02   0.136E+03 0.139E+02 -.761E+02   0.957E+00 -.759E+00 -.174E+01   0.285E-02 -.131E-02 -.246E-02
   -.226E+03 -.679E+02 0.142E+03   0.228E+03 0.681E+02 -.145E+03   -.179E+01 -.350E-01 0.316E+01   0.233E-02 -.163E-02 -.281E-02
   -.719E+02 -.105E+03 -.113E+03   0.713E+02 0.104E+03 0.115E+03   0.601E+00 0.436E+00 -.177E+01   0.544E-03 -.408E-03 0.265E-03
   -.979E+02 -.111E+03 -.162E+03   0.970E+02 0.112E+03 0.165E+03   0.938E+00 -.131E+01 -.285E+01   0.902E-03 -.449E-03 -.109E-03
   -.165E+03 -.445E+02 0.166E+02   0.164E+03 0.385E+02 -.147E+02   0.126E+01 0.613E+01 -.209E+01   0.138E-02 0.431E-04 -.120E-02
   -.171E+03 0.168E+02 0.124E+03   0.167E+03 -.111E+02 -.115E+03   0.364E+01 -.595E+01 -.820E+01   0.480E-02 -.494E-03 -.164E-02
   -.388E+02 -.367E+01 -.315E+02   0.402E+02 -.268E+01 0.226E+02   -.128E+01 0.654E+01 0.892E+01   -.160E-02 -.145E-02 0.122E-02
   -.339E+03 -.718E+02 0.838E+02   0.340E+03 0.723E+02 -.851E+02   -.307E+00 -.612E+00 0.136E+01   0.324E-02 -.125E-02 -.167E-02
   -.334E+03 -.997E+02 -.824E+02   0.333E+03 0.101E+03 0.830E+02   0.115E+00 -.120E+01 -.329E+00   0.219E-02 -.794E-03 -.630E-03
   -.302E+03 -.901E+02 -.136E+03   0.302E+03 0.911E+02 0.138E+03   0.832E-01 -.113E+01 -.167E+01   0.172E-02 -.950E-03 -.355E-03
   -.281E+03 -.572E+02 0.173E+03   0.281E+03 0.572E+02 -.175E+03   -.202E-01 -.197E+00 0.233E+01   0.314E-02 -.243E-02 -.152E-02
   -.232E+03 -.107E+03 0.130E+03   0.232E+03 0.108E+03 -.130E+03   0.849E-01 -.839E+00 0.953E+00   0.240E-02 -.139E-02 -.366E-03
   -.253E+03 -.745E+02 -.233E+00   0.253E+03 0.746E+02 0.214E+00   -.238E-01 0.584E-01 -.146E+00   0.177E-02 -.122E-02 -.374E-03
   -.355E+03 -.110E+03 0.102E+02   0.354E+03 0.116E+03 -.102E+02   0.254E-01 -.441E+01 0.612E+00   0.414E-02 0.549E-03 -.168E-02
   -.338E+03 -.913E+02 -.437E+02   0.339E+03 0.953E+02 0.406E+02   -.602E+00 -.392E+01 0.211E+01   0.188E-02 0.115E-03 0.536E-03
   -.213E+03 0.404E+02 0.165E+02   0.213E+03 -.404E+02 -.165E+02   0.784E-01 0.222E+00 -.886E-01   0.157E-02 -.154E-02 -.691E-03
   -.242E+03 0.117E+03 -.829E+02   0.242E+03 -.118E+03 0.841E+02   -.423E-01 0.144E+01 -.121E+01   0.140E-02 -.126E-02 -.162E-02
   -.232E+03 0.125E+03 -.415E+01   0.232E+03 -.126E+03 0.404E+01   0.191E+00 0.123E+01 0.101E+00   0.143E-02 -.793E-03 -.154E-02
   -.156E+03 0.394E+02 0.129E+03   0.156E+03 -.398E+02 -.130E+03   0.710E-02 0.370E+00 0.105E+01   0.181E-02 -.106E-02 -.407E-03
   -.153E+03 -.156E+02 0.140E+03   0.153E+03 0.166E+02 -.142E+03   -.192E+00 -.991E+00 0.257E+01   0.207E-02 -.142E-02 -.320E-03
   -.201E+03 0.313E+02 0.121E+03   0.201E+03 -.315E+02 -.122E+03   0.723E-01 0.229E+00 0.158E+01   0.205E-02 -.118E-02 -.608E-03
   -.219E+03 0.995E+02 0.115E+03   0.219E+03 -.104E+03 -.118E+03   0.437E+00 0.404E+01 0.229E+01   0.232E-02 -.191E-02 0.415E-03
   -.253E+03 0.142E+03 0.606E+02   0.253E+03 -.146E+03 -.638E+02   -.428E-01 0.325E+01 0.335E+01   0.102E-02 0.500E-04 -.170E-02
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   0.923E+03 0.146E+03 -.101E+03   -.973E+03 -.160E+03 0.923E+02   0.503E+02 0.141E+02 0.855E+01   -.836E-02 -.283E-04 -.452E-02
   -.461E+03 -.957E+01 -.330E+03   0.494E+03 0.148E+02 0.370E+03   -.327E+02 -.513E+01 -.402E+02   0.215E-02 -.802E-03 0.267E-02
   -.373E+02 0.483E+03 -.636E+02   0.284E+02 -.534E+03 0.688E+02   0.885E+01 0.514E+02 -.510E+01   0.245E-02 -.231E-03 0.354E-02
   -.256E+03 -.552E+02 0.199E+03   0.282E+03 0.600E+02 -.243E+03   -.264E+02 -.483E+01 0.444E+02   0.100E-02 0.357E-03 0.141E-02
   -.269E+03 -.352E+03 0.437E+02   0.278E+03 0.389E+03 -.805E+02   -.948E+01 -.364E+02 0.368E+02   -.466E-02 -.421E-03 -.178E-02
   0.297E+02 -.393E+03 -.316E+03   -.388E+02 0.418E+03 0.361E+03   0.920E+01 -.248E+02 -.449E+02   -.261E-02 -.132E-02 -.545E-02
   -.460E+03 -.190E+02 -.162E+02   0.506E+03 -.433E+01 0.260E+02   -.464E+02 0.233E+02 -.991E+01   -.224E-02 0.487E-03 -.372E-02
   0.854E+03 -.766E+02 -.182E+03   -.901E+03 0.988E+02 0.167E+03   0.465E+02 -.222E+02 0.155E+02   -.352E-02 0.254E-02 0.285E-02
   0.457E+03 0.362E+03 0.459E+02   -.448E+03 -.389E+03 -.882E+02   -.965E+01 0.271E+02 0.424E+02   -.196E-02 0.375E-02 0.388E-02
   0.696E+03 0.290E+03 -.398E+03   -.709E+03 -.324E+03 0.437E+03   0.128E+02 0.341E+02 -.386E+02   -.411E-02 0.247E-02 -.298E-03
   0.383E+03 -.806E+02 -.611E+03   -.415E+03 0.944E+02 0.648E+03   0.320E+02 -.137E+02 -.375E+02   0.153E-02 -.936E-04 0.470E-02
   -.107E+02 -.389E+03 -.869E+02   0.416E+02 0.430E+03 0.749E+02   -.308E+02 -.416E+02 0.119E+02   -.129E-02 -.102E-02 0.897E-03
   0.234E+03 0.140E+03 0.159E+03   -.264E+03 -.145E+03 -.204E+03   0.299E+02 0.515E+01 0.449E+02   0.311E-02 0.135E-02 0.124E-02
   -.251E+03 -.192E+03 -.378E+03   0.292E+03 0.199E+03 0.413E+03   -.407E+02 -.668E+01 -.348E+02   -.310E-02 -.606E-03 0.183E-02
   0.218E+03 0.331E+03 -.234E+03   -.231E+03 -.380E+03 0.247E+03   0.126E+02 0.494E+02 -.134E+02   -.263E-02 0.694E-03 0.493E-02
   -.695E+02 -.962E+02 0.141E+03   0.911E+02 0.922E+02 -.189E+03   -.216E+02 0.420E+01 0.475E+02   -.139E-02 0.755E-03 0.355E-02
   -.201E+03 -.429E+03 0.365E+03   0.220E+03 0.465E+03 -.399E+03   -.191E+02 -.355E+02 0.340E+02   0.295E-02 0.541E-02 -.977E-03
   0.118E+03 -.439E+03 -.226E+03   -.134E+03 0.464E+03 0.267E+03   0.160E+02 -.249E+02 -.409E+02   0.184E-03 -.127E-02 0.462E-03
   -.288E+03 -.992E+02 0.548E+02   0.331E+03 0.722E+02 -.366E+02   -.423E+02 0.271E+02 -.184E+02   0.152E-02 0.272E-02 0.106E-02
   0.114E+03 -.238E+03 0.779E+03   -.131E+03 0.269E+03 -.820E+03   0.169E+02 -.304E+02 0.414E+02   -.205E-02 -.507E-03 -.480E-02
   -.115E+03 0.180E+03 0.501E+03   0.155E+03 -.208E+03 -.520E+03   -.404E+02 0.280E+02 0.187E+02   -.136E-02 0.791E-03 -.273E-02
   0.247E+03 0.358E+03 0.420E+03   -.286E+03 -.390E+03 -.415E+03   0.399E+02 0.314E+02 -.546E+01   -.227E-02 0.285E-03 -.337E-02
 -----------------------------------------------------------------------------------------------
   0.348E+02 0.505E+01 -.141E+02   -.168E-10 -.114E-12 -.136E-11   -.348E+02 -.508E+01 0.141E+02   -.472E-01 0.399E-01 0.158E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.18761      3.15867      1.33813        -0.007560     -0.162636     -0.092051
     12.94134      3.59379      2.63588         0.043053     -0.040791      0.025917
     12.88242      4.95035      2.95923        -0.025893      0.189301      0.081110
     13.23406      4.07645      0.29141         0.088013     -0.179397      0.038678
     13.10424      5.43216      0.60195         0.115266      0.049546     -0.000712
     13.00500      5.92512      1.92967         0.016327     -0.047476      0.014480
     13.31574      1.66894      1.35097        -0.162953      0.146006      0.245521
     12.74250      2.38648      3.49711        -0.003993     -0.064184      0.145992
     13.08411      7.40431      2.20793         0.069469      0.072012      0.028645
     13.09278      7.94220      3.52410        -0.055297     -0.188845      0.002482
     13.30447      9.30831      3.71758         0.079485     -0.093134      0.013708
     13.25017      8.33344      1.14566         0.085977      0.029673     -0.054356
     13.47183      9.70095      1.34232         0.040107      0.180489      0.148579
     13.51578     10.17732      2.65476         0.033130      0.096011     -0.039118
     13.77215     11.54751      3.19985        -0.082858     -0.148651     -0.123937
     13.38465     10.09213      4.98833        -0.019899     -0.120433      0.280574
     13.75582     12.54877      5.55215        -0.058139     -0.030641      0.212655
     13.49157     12.40402      6.92647        -0.032529     -0.045177     -0.063949
     13.55776     13.50520      7.78018        -0.020796     -0.190016     -0.162810
     14.10832     13.83635      5.12664        -0.108623     -0.066307      0.080165
     14.16904     14.93164      5.99976        -0.066117      0.009752     -0.079928
     13.86349     14.81815      7.39232        -0.042670      0.204940      0.311207
     13.90175     15.93407      8.43210        -0.008332      0.046019      0.149026
     13.21809     15.99705      9.70750         0.070815     -0.023886     -0.122034
     13.28665     17.15673     10.50277         0.001711     -0.091606     -0.010822
     14.69261     17.07047      8.16865         0.080919     -0.127952      0.047130
     14.70794     18.23496      8.92908        -0.053053     -0.052777     -0.024238
     13.96557     18.30345     10.09834         0.069210     -0.016514      0.026886
     12.40263     14.88042     10.33184         0.101021      0.023921     -0.070403
     14.71882     16.16091      5.31639         0.191328     -0.019639     -0.001268
      9.86264      3.84964      4.70078        -0.047850     -0.221749     -0.127638
      9.71182      4.76540      3.66361        -0.007905      0.025270     -0.021975
      9.72689      6.15047      3.90553         0.032324      0.094520     -0.049095
     10.12149      4.27792      5.99954         0.036066     -0.092786     -0.121771
     10.20318      5.65211      6.23119         0.023894     -0.100723     -0.038846
      9.97784      6.63298      5.22390         0.086454     -0.073595     -0.041239
      9.66334      2.46552      4.16954         0.005119     -0.353799      0.106188
      9.57547      3.98277      2.38279        -0.012889     -0.031839     -0.210295
     10.04064      8.09624      5.59839         0.026779      0.015413      0.041736
     10.05880      9.15684      4.65285         0.030430     -0.193825     -0.122674
     10.17063     10.47663      5.08953         0.008086      0.007440     -0.090805
     10.08077      8.47873      6.96653        -0.089725      0.005756      0.090273
     10.14741      9.80910      7.40352         0.052500      0.054512     -0.035370
     10.21765     10.81316      6.43923        -0.054551      0.165892      0.006090
     10.28356     12.30515      6.55611         0.063374     -0.370006     -0.529917
     10.25472     11.73690      4.28979        -0.004275     -0.019163     -0.228654
     10.68611     14.18787      4.84185         0.111364     -0.100644      0.032947
     11.23170     14.51243      3.59170         0.054514     -0.047492      0.090212
     11.60690     15.82605      3.30499        -0.043854     -0.010956      0.005722
     10.54739     15.26201      5.73880         0.066198     -0.159493     -0.001780
     10.94694     16.58038      5.44245         0.069481     -0.017025      0.083806
     11.52944     16.94064      4.16471         0.096589      0.106495      0.037175
     12.05894     18.31463      3.70131        -0.040286     -0.098072      0.146457
     12.67967     18.69654      2.45207         0.015612      0.216165     -0.216081
     12.99423     20.04423      2.18187        -0.169001      0.124402     -0.031120
     11.94210     19.41982      4.57226        -0.054694      0.010996     -0.036321
     12.21663     20.75924      4.30699         0.060416     -0.076877     -0.038610
     12.72868     21.11266      3.05868        -0.027969      0.129637     -0.149502
     13.16208     17.81678      1.29115        -0.043941     -0.224001     -0.005838
     10.76815     17.49181      6.64881         0.133888      0.181968      0.075775
     10.62322      7.07458     14.80266        -0.119387     -0.165984      0.046262
     10.53681      7.49679     16.12362         0.014640     -0.017479      0.295440
     10.54433      8.85879     16.46977         0.065022     -0.134137      0.135523
     10.61458      8.00865     13.76716         0.059720     -0.256305      0.116340
     10.56112      9.35857     14.10373         0.028337      0.107843      0.145519
     10.57601      9.83825     15.44532         0.017237      0.175599     -0.165121
     10.60782      5.57563     14.76458        -0.157211      0.703942      0.694614
     10.37016      6.26530     16.99203         0.143925      0.124585     -0.947625
     10.62223     11.33278     15.69833         0.077719      0.224339     -0.079146
     10.69652     11.94197     16.98432        -0.011839     -0.171640      0.029581
     10.76911     13.33705     17.09551         0.056949     -0.067702     -0.004165
     10.64194     12.22808     14.59166         0.056525     -0.029400     -0.043295
     10.76245     13.61875     14.69866        -0.016772      0.005731      0.099606
     10.81812     14.17092     15.97797         0.064933      0.035838      0.033592
     10.93277     15.59323     16.43300         0.017116     -0.104221     -0.026962
     10.80909     14.20587     18.31843        -0.030404     -0.081649      0.199911
     10.78057     16.73130     18.71368         0.009034      0.028829     -0.069166
     10.05211     16.71886     19.89974         0.191576      0.012737     -0.061559
      9.89681     17.88828     20.64265        -0.109273      0.025717      0.047313
     11.36528     17.96110     18.37772        -0.054312     -0.001604      0.034141
     11.22777     19.13395     19.15284        -0.003186      0.053174     -0.075973
     10.42927     19.16285     20.36913        -0.135136      0.127109      0.039980
     10.08779     20.34518      0.07813         0.094335     -0.163026     -0.049932
      9.36685     20.30100      1.34273         0.210707     -0.111822     -0.030370
      9.18520      0.19158      2.14056         0.033866      0.094989      0.145647
     10.49868      0.40326     21.03302        -0.049791      0.061628     -0.013325
     10.33278      1.54541      0.57209        -0.042786     -0.002903      0.128310
      9.68987      1.46342      1.81530         0.016477     -0.023817     -0.143768
      8.72767     19.07111      1.98041        -0.064044      0.007487     -0.224925
     12.05329     20.27323     18.55955         0.088987      0.009452     -0.062175
      7.31725      7.66101     17.32373        -0.030100     -0.077390     -0.017174
      7.12883      8.57823     16.29370        -0.028446     -0.005003     -0.003002
      7.06993      9.95852     16.55729         0.009981      0.046350     -0.082179
      7.57314      8.08621     18.62263         0.034524     -0.124455     -0.143798
      7.60124      9.45901     18.86559        -0.046106      0.015817      0.017985
      7.30394     10.44279     17.88072         0.048336     -0.045139     -0.079286
      7.14742      6.27915     16.80042         0.055158      0.197589     -0.204221
      7.02693      7.77933     15.01162         0.027301      0.124820     -0.041004
      7.26706     11.90736     18.28803         0.024403      0.139648      0.036231
      7.12057     13.00507     17.38712         0.014042     -0.218433     -0.149025
      7.14737     14.32322     17.86496        -0.056983      0.034379     -0.121833
      7.40948     12.25685     19.65961        -0.063652     -0.028619      0.076027
      7.38786     13.56993     20.14220         0.045119      0.182263     -0.087100
      7.25505     14.61411     19.22425        -0.087054      0.098429     -0.025251
      7.19334     16.10504     19.40853         0.002959     -0.397176     -0.670762
      7.10974     15.63573     17.11981         0.033616     -0.120215      0.103275
      7.50903     18.07244     17.78381         0.094562     -0.020305     -0.008712
      8.35295     18.41516     16.71999        -0.023013     -0.034643      0.015888
      8.73984     19.74467     16.52660         0.075159      0.004040     -0.082792
      7.04539     19.15074     18.55239         0.023327     -0.077569      0.000927
      7.42735     20.49589     18.33204         0.056021      0.058562      0.018856
      8.35989     20.87083     17.28410         0.071556      0.126181      0.158943
      8.96832      1.00659     16.93048         0.002291     -0.209356     -0.072443
      9.73804      1.37521     15.75018         0.037720     -0.037124      0.031578
     10.19316      2.69683     15.57440        -0.036685      0.167934     -0.123206
      8.78893      2.10765     17.80132        -0.061798     -0.028946     -0.127889
      9.21854      3.42977     17.61470         0.251390      0.037215     -0.190711
      9.93837      3.76345     16.45390         0.009809      0.065309      0.012098
     10.25221      0.51645     14.57032         0.181525     -0.063486     -0.150208
      6.71891      0.17765     19.29815         0.220992      0.109346     -0.025013
      6.90479     10.82183      6.24380        -0.056464     -0.099176      0.035235
      6.86733     11.27139      7.55740        -0.020835     -0.037780      0.176645
      6.90397     12.63888      7.88296         0.020293      0.111815      0.154255
      7.00524     11.75343      5.20612        -0.052422     -0.162501      0.121424
      7.05490     13.11600      5.53176        -0.025001      0.020645     -0.004385
      7.00292     13.62953      6.86013         0.005206     -0.085704     -0.027741
      6.89737      9.31954      6.25116        -0.004873     -0.161735     -0.186948
      6.85829     10.05175      8.44917         0.034881      0.016162      0.196072
      7.09075     15.13803      7.10298        -0.011253      0.078832     -0.059105
      7.14395     15.75524      8.38941         0.014682     -0.083625      0.039874
      7.25158     17.15686      8.50466         0.028201     -0.118291      0.035955
      7.17908     16.03429      5.99306        -0.102865     -0.096603     -0.029724
      7.27537     17.42273      6.11330        -0.094705      0.101808      0.134020
      7.27732     17.98313      7.38735        -0.002639      0.031477     -0.022687
      7.40275     19.41127      7.81504         0.043472      0.319840     -0.208503
      7.48211     18.03794      9.70423         0.105054     -0.144199      0.272508
      7.70606     20.56445     10.06522         0.027301     -0.056032      0.151479
      7.22490     20.53405     11.37588         0.015075     -0.171540     -0.130513
      7.22264      0.42850     12.14908         0.064354      0.054877     -0.126605
      8.34826      0.49651      9.66819         0.001061     -0.135061      0.120432
      8.46958      1.61892     10.52258         0.051884     -0.015570      0.048118
      7.78566      1.67076     11.80983        -0.077263      0.107677      0.176317
      7.55515      2.84404     12.79866        -0.020809     -0.292145      0.184907
      6.91732      2.81229     14.12346         0.284196      0.091216     -0.273950
      6.73319      3.99780     14.84931         0.140532      0.375704      0.019130
      7.94282      4.14748     12.43262        -0.040222      0.218612      0.025594
      7.83170      5.31897     13.20746         0.059706     -0.022732     -0.061789
      7.21203      5.26400     14.45969        -0.134008     -0.043688      0.031300
      6.31271      1.63897     14.90207         0.156366     -0.208531     -0.152850
      9.48297      2.63828      9.99431        -0.220772     -0.045114      0.164062
      4.29413     11.55267     10.41417        -0.026854     -0.133941     -0.004509
      4.06565     12.41371      9.34998        -0.023440      0.085995     -0.107102
      4.21836     13.79962      9.48443        -0.090357      0.043811     -0.100844
      4.72632     12.05536     11.64421        -0.118014     -0.144405     -0.195093
      4.76832     13.44283     11.81056        -0.006866     -0.093185     -0.011314
      4.50659     14.35907     10.75601        -0.027488     -0.089876     -0.001923
      3.86889     10.17291     10.02447         0.031555      0.077641     -0.044291
      3.56965     11.59399      8.19166        -0.022218      0.027058     -0.171844
      4.48730     15.84191     11.01772        -0.041619      0.140739     -0.058242
      4.06828     16.79277     10.03818         0.051144     -0.146366     -0.097455
      4.08496     18.16038     10.33765        -0.101884     -0.017074     -0.193803
      4.88044     16.34982     12.28376        -0.017758     -0.018409      0.096094
      4.79388     17.70406     12.61168        -0.021345      0.029596     -0.045042
      4.39092     18.59269     11.62284        -0.042417      0.045000      0.022625
      4.26453     20.06351     11.68865        -0.026569     -0.220959     -0.345579
      3.88991     19.39517      9.47736         0.169233     -0.066445      0.539305
      4.36202      0.62601      9.97465         0.057905      0.022928      0.008947
      4.89647      0.99409      8.73535        -0.008596     -0.355080      0.099982
      5.44247      2.26203      8.58170        -0.086360      0.036707     -0.121310
      4.23861      1.67939     10.88225         0.077888      0.033465      0.037318
      4.72616      2.99781     10.67239        -0.005880     -0.012995      0.008680
      5.46772      3.35523      9.48455        -0.008453     -0.042177     -0.152651
      6.08812      4.71354      9.00280         0.005734     -0.159585      0.054212
      6.56824      5.03300      7.67825         0.013375      0.154331     -0.136197
      6.83662      6.35715      7.24711        -0.037705      0.180687      0.045534
      6.11579      5.86294      9.81980        -0.051577      0.076343      0.204048
      6.32630      7.18821      9.40463        -0.032028     -0.016710     -0.119401
      6.65410      7.49087      8.06996        -0.064281      0.100283      0.210640
      6.76861      4.02300      6.56738        -0.130183     -0.121287      0.003704
      4.13055      3.80312     11.81517        -0.000177     -0.073826     -0.022164
      0.79816     14.09052      1.04041         0.028308     -0.014011     -0.088169
      1.50207     14.53242      2.14801         0.133024      0.137696      0.269806
      1.52743     15.92207      2.45811         0.170246     -0.042905     -0.066537
      0.26124     14.96962      0.11498        -0.020039     -0.089328      0.060052
      0.40017     16.32971      0.35107        -0.079991      0.225013      0.010537
      0.95958     16.87611      1.54063         0.046836     -0.046978      0.048122
      0.76630     12.62029      0.99760        -0.388465     -0.269478     -0.409801
      2.14751     13.26731      2.74529         0.075307      0.044039      0.254878
      0.92303     18.41056      1.68742         0.007011      0.000998      0.060255
      1.34384     19.16424      2.82888        -0.004126     -0.219291      0.086895
      1.24291     20.57103      2.82011        -0.057149     -0.033409      0.128925
      0.41379     19.18682      0.59918        -0.006676     -0.121980      0.089215
      0.24766     20.57175      0.62884        -0.095466      0.119972      0.022836
      0.65554      0.00222      1.76406         0.076690      0.041406      0.079846
      0.58527      1.45810      2.08331        -0.069617      0.254645     -0.316576
      1.69137      0.34931      3.81823         0.110151     -0.064783      0.249920
      1.32842      2.90339      4.05005        -0.033687      0.007400     -0.024418
      1.98617      2.99481      5.28082         0.106731     -0.023224      0.004474
      2.11887      4.22098      5.92426         0.055205     -0.001401     -0.020460
      0.73970      4.10469      3.60419         0.042714      0.130087      0.128210
      0.81848      5.31904      4.33542         0.046753     -0.184952      0.016313
      1.59543      5.46964      5.53511         0.198971     -0.078315      0.282104
      1.96627      6.71275      6.40307        -0.077961     -0.271666     -0.253179
      2.43614      6.69590      7.76472        -0.071573      0.087758     -0.111915
      2.85195      7.85751      8.42987         0.133652      0.083480      0.063007
      1.99364      8.02517      5.87246         0.172364      0.155706     -0.207834
      2.46947      9.18911      6.51837        -0.012067     -0.083890      0.006915
      2.92407      9.13089      7.85511         0.002386      0.082903     -0.117452
      2.69203      5.48981      8.63686        -0.333001     -0.107769     -0.010314
     -0.00479      6.41388      3.72495         0.030857      0.021971      0.187230
      4.57169     14.10700      0.64178        -0.046119      0.073370     -0.082148
      3.99817     15.02044     -0.24160        -0.096743      0.018144     -0.160074
      4.05402     16.41334     -0.02637        -0.105407      0.033032     -0.071178
      5.20968     14.58591      1.78498        -0.144614     -0.143488     -0.166024
      5.19965     15.95986      2.03532        -0.052033      0.297515      0.009301
      4.62859     16.94467      1.16951        -0.068998      0.297509      0.142929
      4.35970     12.71246      0.13313        -0.038682      0.125854     -0.058131
      3.35449     14.20778     19.90792         0.074234      0.070855      0.205431
      4.65361     18.44902      1.60572        -0.019790     -0.024590      0.078248
      4.15639     19.59287      0.88979         0.004468     -0.082754     -0.110759
      4.30061     20.91123      1.41568        -0.020399     -0.119953     -0.169148
      5.22583     18.75927      2.87360        -0.034145     -0.010989     -0.029689
      5.40327     20.05464      3.37467         0.002847      0.139812     -0.009601
      4.96419     21.14433      2.61667        -0.055532     -0.169622     -0.048422
      5.08974      1.36360      2.84673         0.232867      0.136283      0.379810
      3.85052      1.02023      0.90898        -0.100714     -0.148387     -0.271400
      4.04985      3.48389      1.77502         0.029760     -0.124133     -0.090413
      3.17379      4.04764      0.81950         0.189712     -0.125575     -0.026813
      2.95920      5.43020      0.74113         0.058632     -0.007728      0.081782
      4.61015      4.42955      2.66040        -0.167345      0.122722     -0.070669
      4.25335      5.80919      2.66049        -0.007210     -0.152044      0.027530
      3.42160      6.41588      1.66047        -0.230194     -0.305037     -0.094396
      2.97298      7.88976      1.60095         0.016655      0.064343     -0.019671
      1.73046      8.42649      1.09104         0.120127     -0.055202     -0.111882
      1.39377      9.77984      1.23501         0.287845      0.203784      0.176283
      3.78404      8.89578      2.18112        -0.195390     -0.045118     -0.268837
      3.42344     10.23514      2.41207        -0.108047      0.183190      0.074917
      2.20229     10.73176      1.90469        -0.154584     -0.116852      0.032472
      0.71232      7.66589      0.23303         0.491632      0.029838     -0.297219
      4.89305      6.49903      3.85159         0.034903      0.136244      0.006115
     18.01719     17.33827     13.85768        -0.035817     -0.244152     -0.001209
     18.99722     17.79968     14.73486        -0.072860     -0.018861     -0.028377
     19.22379     19.16683     14.92386         0.105947      0.117653      0.062525
     17.32621     18.23981     13.04480         0.039207     -0.154449      0.108591
     17.63497     19.60012     13.15888        -0.093910     -0.024017      0.120668
     18.51974     20.12267     14.14119        -0.003299     -0.002267     -0.002915
     17.97791     15.83459     13.92867         0.368458      0.288644      0.151258
     19.70911     16.60938     15.30654         0.156321     -0.160641      0.154330
     18.65895      0.35908     14.33410        -0.114329      0.088946     -0.057704
     19.54340      0.95057     15.27967        -0.041726     -0.240830      0.009790
     19.55424      2.33953     15.45043        -0.046357     -0.059411      0.131263
     17.82971      1.25389     13.59937        -0.084474      0.069309      0.023364
     17.83998      2.64395     13.77877         0.058802      0.043129      0.122371
     18.71595      3.18009     14.72246        -0.045198      0.125909      0.016733
     18.93233      4.59537     15.17281         0.141106     -0.192581      0.096737
     20.33481      3.18856     16.40836         0.169049     -0.009703      0.221441
     20.54149      5.70876     16.81291         0.039770     -0.074884      0.038842
      0.61392      5.69933     17.23471         0.137812      0.122992      0.091034
      1.22041      6.87303     17.71121        -0.085551     -0.551855     -0.223971
     19.84763      6.90732     17.04188         0.322424      0.035235      0.208653
     20.45445      8.05385     17.61773        -0.026278      0.076662      0.025788
      0.61977      8.11893     17.92290        -0.108948      0.213476     -0.022817
      1.50275      9.29605     18.46608        -0.484454      0.251672      0.024080
      2.86167      9.29061     18.96086         0.280543     -0.026244      0.295759
      3.48115     10.47340     19.45153        -0.352801      0.239834      0.110432
      0.94196     10.60347     18.53523         0.136091     -0.224887     -0.126430
      1.52682     11.75854     19.06748         0.129034     -0.191123      0.121920
      2.82584     11.70395     19.58542         0.261950     -0.016216      0.032166
      3.95353      8.20922     18.97886         0.047284     -0.290264     -0.117786
     19.42232      9.13031     17.93620         0.058501     -0.023485     -0.133855
      1.79604     18.30568     14.13658        -0.130202     -0.199781      0.016509
      1.09432     19.20575     13.33607         0.078719      0.049757      0.052791
      1.15415     20.58068     13.56856        -0.144630      0.230516      0.009108
      2.57098     18.76286     15.20150        -0.069348     -0.112795     -0.161011
      2.59170     20.13806     15.45463         0.163835     -0.181600      0.023621
      1.89456     21.09008     14.67128         0.039227     -0.214346     -0.078488
      1.51115     16.91305     13.67645        -0.212077      0.327977     -0.017142
      0.34135     18.42138     12.30586        -0.147900     -0.025270     -0.039860
      2.03696      1.29214     14.96977        -0.005733      0.048220      0.041840
      1.53131      2.29501     14.10766        -0.140907     -0.218566     -0.098614
      1.81032      3.63103     14.37130        -0.081264      0.050992     -0.053344
      2.72158      1.73436     16.13153         0.121654      0.143453      0.028413
      3.08538      3.07136     16.34132         0.040861      0.015909     -0.074842
      2.66998      4.01266     15.39877        -0.042903      0.192755      0.029123
      2.90778      5.48581     15.27767        -0.125353      0.124304      0.022013
      1.29144      4.86264     13.70890        -0.142092     -0.021549     -0.151880
      1.47926      7.32587     14.21757         0.020318      0.052494      0.196647
      0.15190      7.62838     13.88972         0.015909     -0.061159      0.029037
     20.94424      8.92774     14.04792         0.014070     -0.015989      0.077636
      2.27287      8.42352     14.59246        -0.033123     -0.101229      0.040282
      1.78910      9.74212     14.71522        -0.014270      0.014209      0.041275
      0.39597     10.06307     14.47341        -0.064946      0.145271      0.091232
     20.88256     11.39453     14.60212         0.067957     -0.134481      0.028187
     19.48923     11.65415     14.28035        -0.114053      0.078651     -0.090020
     18.93414     12.94576     14.38906         0.017949      0.223347     -0.072135
      0.27325     12.56203     15.06399        -0.014529     -0.020551     -0.068885
     -0.25960     13.85325     15.12345        -0.074539     -0.086613      0.062540
     19.66615     14.08882     14.76446         0.094037      0.141398      0.022160
     18.40788     10.65960     13.83601        -0.012004     -0.144662     -0.084396
      2.89082     10.70303     15.12712         0.007361      0.148101      0.147700
     16.35558      0.41904      5.24555         0.021822     -0.127707     -0.015160
     16.93917      0.79119      6.45151         0.047722     -0.098413      0.089217
     16.86167      2.11311      6.92765        -0.001771      0.086866      0.125248
     15.69832      1.34903      4.46308         0.065634     -0.096999      0.069964
     15.66993      2.66791      4.90878        -0.031903      0.090852     -0.033055
     16.22662      3.11724      6.13553        -0.024602     -0.055717     -0.013244
     16.65331     20.25495      4.94138         0.046106      0.091425      0.093525
     17.67358     20.83369      6.96393        -0.045854      0.015743      0.040850
     16.18762      4.61045      6.44901        -0.001466      0.093252     -0.044682
     16.75633      5.25349      7.58962        -0.038270     -0.128778      0.048439
     16.75357      6.65982      7.67150        -0.005708     -0.043047      0.048788
     15.60064      5.48481      5.48770         0.056692     -0.022015     -0.095253
     15.66058      6.87706      5.54248         0.086677      0.085904      0.067232
     16.26192      7.46291      6.64886        -0.045072      0.127668      0.033842
     16.53238      8.89948      6.95330        -0.165063      0.284538     -0.098787
     17.30214      7.58004      8.72334         0.064463     -0.115699      0.316059
     17.67446     10.10800      8.89024        -0.066233     -0.090950      0.078610
     18.70395      9.99950      9.82278        -0.072451      0.110004      0.027036
     19.28353     11.13771     10.38051        -0.165158     -0.048506     -0.020711
     17.20838     11.41038      8.64663         0.078747      0.013714      0.030851
     17.82344     12.55137      9.21394        -0.052365     -0.027845     -0.158713
     18.95284     12.47008     10.10139         0.132100      0.133879      0.161743
     19.76890     13.60630     10.76515        -0.198597     -0.046607      0.074488
     21.08737     13.53102     11.35870        -0.201334      0.077067      0.023098
      0.44192     14.66974     11.91554        -0.029713      0.110768      0.053713
     19.20188     14.89933     10.90013         0.014845     -0.024682      0.039927
     19.82299     16.03409     11.43740         0.124912     -0.177092      0.013380
     21.12013     15.93660     11.96167        -0.075795      0.074299      0.089323
      0.83644     12.38801     11.37453         0.118741     -0.081081     -0.215190
     17.10352     13.81663      8.82475         0.021856      0.060023      0.075860
     20.25855      1.48673      6.23188        -0.041239     -0.108174     -0.137463
     19.65238      2.50552      5.49832         0.026667      0.162326     -0.055085
     19.57759      3.80244      5.97813         0.018031     -0.004493     -0.065853
     20.77282      1.74753      7.49334        -0.039136      0.035793     -0.000846
     20.63938      3.04065      8.00897         0.027688     -0.056500      0.089479
     20.06630      4.10443      7.26992        -0.080385      0.023758     -0.033549
     20.24345      0.24423      5.40796         0.039268     -0.090687     -0.054161
     19.21642      1.95299      4.18225        -0.146267      0.051402     -0.368508
     20.08915      5.52219      7.73520        -0.033188      0.102849      0.014079
     19.65671      6.55478      6.87383        -0.134442      0.027541     -0.006334
     19.98076      7.87480      7.16283        -0.142420      0.102900     -0.127297
     -0.65394      5.91877      8.99126         0.056566      0.071920      0.185181
     -0.35246      7.25343      9.29473         0.022627     -0.111625      0.049190
     20.67006      8.21760      8.31642        -0.029251     -0.001341     -0.160667
     -0.24162      9.64985      8.22444         0.730459      0.826297      0.630236
     19.71589      9.12159      6.37969        -0.439898      0.132161     -0.559265
     20.31336     11.58803      6.68439         0.005324      0.009833      0.005444
     19.36572     12.02613      5.74069         0.080141     -0.116743      0.080816
     19.17786     13.38467      5.51601         0.002150     -0.018304     -0.019436
     21.13519     12.59404      7.24583        -0.108418     -0.093647     -0.075293
     20.96444     13.96490      6.95765        -0.032634     -0.037604     -0.007269
     19.90862     14.43632      6.10734        -0.262560      0.045819     -0.077305
     19.42363     15.86448      5.89042         0.023209     -0.200090      0.084969
     18.67867     16.37172      4.77019         0.044402      0.151601      0.007390
     18.13329     17.66594      4.78889         0.026970      0.112892      0.118072
     19.56052     16.79988      6.94184        -0.016933     -0.047976     -0.038405
     19.01364     18.07819      6.97676        -0.007188     -0.012435     -0.040247
     18.23647     18.52632      5.90334        -0.113075      0.154858      0.071750
     18.32169     15.59677      3.50888         0.137217     -0.028591      0.003833
      0.74356     14.87344      7.58206         0.035186      0.026731      0.019171
     12.72954      5.24349      4.00262        -0.003122     -0.042659     -0.102915
     13.35965      3.74906     20.51329        -0.004910      0.039730      0.116580
     13.10582      6.11711     21.01536         0.044234      0.104710      0.032374
     12.95423      7.30308      4.40004        -0.027988      0.046430     -0.071052
     13.24801      7.99041      0.11089        -0.031271     -0.060083      0.043872
     13.62539     10.37699      0.49222        -0.038368     -0.130581      0.145065
     13.42205     13.29317      8.82804        -0.083442     -0.096984      0.065303
     13.22017     11.43590      7.34406         0.130555      0.041828     -0.045427
     14.30582     14.01313      4.07892         0.130601     -0.076927     -0.082843
     12.79941     17.15834     11.47814        -0.124013     -0.020918     -0.123246
     15.34917     17.06059      7.31651         0.036452      0.022890      0.143052
     15.29734     19.08237      8.57052         0.033323     -0.009658      0.110039
      9.54015      6.83909      3.07276         0.044966     -0.090243      0.132792
     10.23399      3.55120      6.80929         0.071736      0.149076     -0.083229
     10.43778      5.94900      7.25278         0.011918      0.100136     -0.039699
      9.98605      8.96119      3.58134         0.049091     -0.019161      0.006336
     10.00376      7.72048      7.74996         0.042225      0.033206     -0.138347
     10.13447     10.03668      8.47632         0.043768      0.009982     -0.189265
     11.99763     15.96434      2.31438         0.137953     -0.050208     -0.061906
     11.43976     13.74359      2.84733        -0.154332      0.106271      0.010963
     10.19247     15.05617      6.74408        -0.058238     -0.036249     -0.103353
     13.41484     20.27420      1.20971         0.055165      0.032382      0.117848
     11.60157     19.26143      5.57168        -0.152021      0.046204      0.074634
     11.99864      0.24523      5.06890         0.043387     -0.048439     -0.012120
     10.49855      9.14462     17.52643         0.006822     -0.050002     -0.125850
     10.61605      7.69740     12.72026         0.036947     -0.009594      0.045413
     10.48797     10.05350     13.27046         0.089085      0.065760      0.029280
     10.70045     11.34219     17.89920        -0.023239      0.026377     -0.056368
     10.58397     11.83573     13.57701         0.023169      0.001908      0.040287
     10.81660     14.23452     13.79473        -0.038252     -0.019860      0.146761
      9.28898     17.74770      0.25509        -0.107240     -0.022785     -0.105842
      9.58634     15.80744     20.26605         0.101554      0.004934      0.028206
     11.92687     18.02811     17.45255         0.057900     -0.020076      0.031079
      8.66735      0.08420      3.08969         0.009381     -0.007192     -0.045862
     10.97411      0.58977     20.08372         0.120989      0.018674      0.079084
     10.74473      2.49710      0.22684        -0.178704     -0.120338     -0.072170
      6.81200     10.63957     15.74057         0.116739     -0.015649      0.065678
      7.74880      7.36131     19.42365        -0.010030      0.122429     -0.077880
      7.83172      9.74515     19.88916         0.001859      0.142727      0.007693
      6.99768     12.83004     16.31424         0.062551      0.041754      0.043611
      7.51790     11.48499     20.42236        -0.019047     -0.007110     -0.117306
      7.49741     13.75425     -0.04242        -0.024540      0.018518     -0.184793
      9.38196     19.90285     15.67835         0.231036     -0.184407      0.111842
      8.74787     17.65866     16.03644        -0.044493      0.124876      0.108345
      6.36815     18.95612     19.37944         0.066274     -0.097590     -0.055272
     10.70200      2.91986     14.64117         0.079774      0.043487      0.178079
      8.22423      1.96166     18.70589         0.032252      0.013655      0.064941
      8.94081      4.18145     18.35851         0.152856     -0.195469     -0.113819
      6.83633     12.91698      8.93731         0.167541      0.038151     -0.059708
      7.07756     11.43624      4.16049        -0.060167      0.018294      0.113793
      7.16605     13.79471      4.68533        -0.026545      0.051404      0.086197
      7.10892     15.15335      9.30280         0.094811      0.037275     -0.084582
      7.18588     15.66083      4.96740         0.029884     -0.158788      0.123527
      7.42465     18.06381      5.24068        -0.151069     -0.130497     -0.005865
      6.74985      0.31984     13.10245        -0.190546     -0.063825      0.032336
      6.83229     19.60095     11.79116         0.082408      0.279196     -0.045905
      8.80214      0.54699      8.67799        -0.013296     -0.026262      0.127778
      6.21665      3.95999     15.79978         0.016435     -0.114902      0.035227
      8.36165      4.28783     11.44737         0.154392      0.071489     -0.045621
      8.27773      6.24731     12.82930        -0.297811     -0.197054      0.002707
      4.05411     14.44016      8.61660         0.006915     -0.070030      0.054074
      4.95489     11.38436     12.47434        -0.089990      0.052290     -0.050192
      4.93290     13.80106     12.82732         0.150591      0.071675     -0.081123
      3.73526     16.45668      9.05346         0.071846      0.074883     -0.005345
      5.26395     15.68868     13.06393        -0.051950     -0.026822     -0.133316
      5.06571     18.07295     13.60414         0.023162     -0.116638     -0.058431
      5.83800      2.38083      7.60303         0.171062     -0.099888     -0.014817
      4.92261      0.29324      7.89412         0.115878      0.151244      0.165415
      3.73710      1.47686     11.82391         0.048717      0.009963     -0.054883
      7.15031      6.50922      6.21619        -0.055853     -0.041908      0.152798
      5.90858      5.74929     10.87197        -0.103877      0.013599      0.106248
      6.16562      7.99211     10.12138         0.166549     -0.129813      0.111697
      2.02078     16.25501      3.37808        -0.051524     -0.006323     -0.099242
     -0.21107     14.58732     20.47014        -0.110372      0.076781     -0.040611
      0.04909     16.98344     20.81241        -0.084198     -0.036434      0.146367
      1.71396     18.66814      3.73619         0.030917      0.079544     -0.210896
      0.10336     18.70859     20.93116         0.006848     -0.044924      0.071566
     -0.19916     -0.15247     21.04525         0.074368     -0.068042      0.009796
      2.71629      4.18047      6.80586         0.133255     -0.194882      0.006302
      2.41113      2.11057      5.75220         0.087862      0.069054     -0.071491
      0.15930      4.10147      2.68468         0.006429     -0.017236      0.057646
      3.15698      7.76479      9.46278         0.048475      0.040250      0.015726
      1.72035      8.16131      4.82569        -0.044613      0.027614      0.121968
      2.49061     10.12221      5.95264        -0.008318     -0.065590      0.080380
      3.63505     17.05350     20.45074        -0.056625      0.109754      0.154447
      5.66196     13.89263      2.49603         0.010484      0.048623      0.035057
      5.65698     16.25582      2.97861         0.008400      0.095827     -0.082458
      3.67741     19.46222     -0.08901         0.037726      0.072186      0.164606
      5.60324     17.95450      3.50874        -0.096111      0.136097     -0.078262
      5.90012     20.19665      4.33874        -0.071249      0.058652     -0.056197
      2.40085      5.74124     -0.12835        -0.160809     -0.010714      0.095527
      2.65227      3.40521      0.10927         0.152871      0.089325     -0.049478
      5.31381      4.12930      3.42941        -0.065484     -0.296134     -0.013722
      0.48029     10.14862      0.77853         0.014709     -0.194852      0.108333
      4.79524      8.61287      2.43983         0.173406      0.096576      0.206988
      4.11962     10.85221      2.99363        -0.183213      0.024640     -0.344203
     19.96387     19.48107     15.66280        -0.015977     -0.016526      0.003931
     16.58259     17.89969     12.31460         0.127750      0.018200      0.087192
     17.14941     20.26203     12.44376        -0.044826      0.102538      0.085256
     20.20031      0.31948     15.88795        -0.039822      0.175272     -0.031105
     17.10186      0.87532     12.87789         0.118834     -0.082322      0.078626
     17.15376      3.29000     13.22061         0.111145     -0.100110      0.022617
      2.24795      6.73892     17.98399         0.138693      0.064439     -0.192821
      1.21072      4.78071     17.20251        -0.246661      0.282626      0.041688
     18.79052      6.94481     16.80970        -0.061813      0.069375     -0.037569
      4.50930     10.44559     19.80159        -0.088489     -0.211576     -0.040522
     -0.03367     10.75063     18.10714        -0.207384      0.068562      0.025487
      0.94289     12.67454     19.09681        -0.023372      0.050367     -0.088789
      0.62073     21.25697     12.89768        -0.054782     -0.041675      0.007635
      3.16791     18.06442     15.79987        -0.168182      0.121678     -0.013635
      3.23495     20.46441     16.26898        -0.016721      0.117938      0.042380
      0.94692      2.03179     13.22102         0.001887      0.091547      0.101961
      3.02376      1.02820     16.90600        -0.022704     -0.035958     -0.099247
      3.65126      3.35690     17.23789        -0.041226     -0.055849     -0.245052
     19.90659      9.03289     13.82676        -0.141112     -0.158424      0.049134
     20.69040      6.88331     13.55230         0.171495     -0.051371      0.078170
      3.30769      8.22781     14.84938         0.020555      0.036964     -0.055464
     17.89309     13.06285     14.10952         0.026350      0.112992      0.061422
      1.29307     12.49127     15.40208         0.109100      0.054928     -0.088255
      0.39892     14.66595     15.41912        -0.036963     -0.051957      0.105239
     17.34069      2.37221      7.87716        -0.029789     -0.048682     -0.060625
     15.25899      1.04524      3.51211         0.093791      0.121342      0.037998
     15.21123      3.36902      4.22178        -0.023115      0.163575      0.043265
     17.24632      4.68881      8.39317        -0.174685      0.028140     -0.133072
     15.09118      5.08262      4.61583         0.087591     -0.101810     -0.007723
     15.26386      7.49128      4.72990         0.059144     -0.117132      0.101948
     20.04181     10.93476     11.10454         0.105698      0.014998      0.046357
     19.07556      9.01860     10.10494        -0.094149      0.125901      0.189038
     16.35393     11.56054      7.99032         0.127087     -0.050798     -0.009866
      1.41623     14.55483     12.37053         0.054216      0.031332     -0.055332
     18.18223     15.05983     10.57485         0.026587     -0.039955      0.197652
     19.26367     16.96664     11.47282         0.076208      0.019623     -0.096369
     19.18847      4.58229      5.32839        -0.137643     -0.059250     -0.055584
      0.04469      0.97075      8.03869        -0.050104     -0.080000      0.183501
     -0.19696      3.22167      8.99408        -0.055078      0.085997      0.072618
     19.09289      6.33702      5.96923         0.107923      0.054172      0.036361
     -0.43045      5.16873      9.75259        -0.067917      0.076857     -0.047342
      0.05784      7.51595     10.27344         0.070316     -0.022185     -0.098955
     18.36521     13.62708      4.85106        -0.124689     -0.044891      0.023749
     18.75752     11.30725      5.19248        -0.034563      0.100312      0.155713
      0.67492     12.30259      7.91962        -0.054208      0.017067     -0.047865
     17.54363     17.98930      3.93703         0.045179     -0.041008      0.013290
     20.07281     16.49484      7.83924         0.066365     -0.027264      0.100988
     19.19048     18.72126      7.83773        -0.060920     -0.122585      0.012235
     13.92743     19.21747     10.69587         0.005927     -0.087369      0.051163
     19.46183     21.21658      3.42501        -0.044256      0.011605      0.020525
     12.93104      1.23073      2.67016         0.056733      0.030727     -0.057967
     13.65334     11.45631      4.62746        -0.080291     -0.259882      0.097886
      9.61283      2.57796      2.73131        -0.021633      0.245758      0.096971
     10.39818     12.82177      5.21439         0.026602      0.011343     -0.195029
     10.31916      5.12577     16.09493        -0.113472     -0.076065      0.492050
     10.87104     15.57102     17.86093        -0.002746     -0.150758      0.200820
      7.08857      6.38448     15.36470         0.144977      0.061682      0.117063
      7.21107     16.68653     18.09622         0.059372     -0.122245     -0.221103
      6.76252      8.87723      7.60851         0.068381      0.124537      0.064157
      7.56270     19.40324      9.22944         0.003525     -0.311418     -0.039533
      3.43782     10.23490      8.64084         0.095101     -0.043635     -0.033488
      4.06248     20.53442     10.35417         0.049418     -0.137130     -0.048364
      1.77394     12.13290      1.88259        -0.128334      0.011288      0.247360
      1.21155      1.64840      3.35075         0.104880     -0.314511      0.031618
      3.47402     12.81531     20.27434        -0.110217      0.166098     -0.277632
      4.31958      2.03765      1.84472        -0.168943     -0.054866     -0.238375
     19.12540     15.43330     14.70550         0.002785      0.002207      0.116034
     19.92970      4.55199     16.19779         0.173673     -0.131379      0.018387
      0.54567     17.02833     12.61056        -0.001114      0.122638     -0.084306
      1.96174      5.97606     14.30526        -0.281083     -0.073297     -0.057708
     17.55977     19.79835      5.94534        -0.007358      0.080942     -0.004745
     17.15794      8.93577      8.23645        -0.119147     -0.283375      0.047659
     19.59529      0.59826      4.20442         0.037645      0.280213      0.434157
     20.40057     10.19643      7.04964        -0.135748     -0.171714     -0.142329
     12.45836      2.38715      4.68752         0.184436     -0.079924     -0.052704
     13.70450      0.94423      0.45743         0.133731      0.029384     -0.324390
     13.22905      9.65747      6.12374         0.093335      0.077946     -0.320445
     14.02538     12.55517      2.56193        -0.007043      0.032550     -0.074031
      9.48023      4.41958      1.24578         0.009841     -0.078736      0.106126
      9.55136      1.42230      4.79773         0.104813      0.363802     -0.200922
     10.19857     11.83566      3.06877        -0.000417      0.029482      0.166572
     10.22107     12.97847      7.55985        -0.058429      0.267768      0.533420
     10.28844      6.23341     18.19903        -0.031400     -0.220467      0.701502
     10.80896      4.87664     13.80085         0.203304     -0.549320     -0.838388
     10.78260     13.84749     19.48782         0.026919      0.124391     -0.222858
     11.05379     16.59588     15.74680        -0.057455      0.003588     -0.056387
      6.94982      8.20234     13.87154        -0.035292      0.027159     -0.115438
      7.05670      5.25510     17.45475        -0.053449     -0.073420     -0.013326
      7.02044     15.80334     15.91628        -0.015513      0.059117     -0.208959
      7.11790     16.72660     20.44370        -0.128631      0.324989      0.615742
      6.97615     10.03901      9.66490        -0.039331     -0.001609     -0.026992
      7.04096      8.57876      5.29125        -0.088821      0.210709      0.064659
      7.63192     17.69063     10.86631        -0.038689      0.013657     -0.211511
      7.35640     20.42149      7.12317         0.024273     -0.320285      0.065968
      3.31118     11.97606      7.06225         0.054506     -0.028163     -0.052583
      3.85444      9.18618     10.74220         0.016261      0.008005      0.011144
      3.68243     19.46653      8.28620        -0.078155     -0.016396     -0.465250
      4.31594     20.75541     12.68444        -0.054001      0.178118      0.378496
      2.84275     13.16650      3.73905        -0.008273     -0.015699     -0.248939
     -0.04219     11.97749      0.33138         0.328323      0.137120      0.126370
      2.37304      0.16633      4.81283        -0.121626      0.040382     -0.129006
      0.08463      2.33954      1.39824         0.083304     -0.184729      0.038519
      2.85179     14.60406     18.87447        -0.217823      0.128179     -0.141938
      4.86571     11.67922      0.54839         0.056832      0.104081      0.014081
      3.18960      1.24520     -0.09183         0.069456     -0.008237      0.053829
      5.76868      1.91078      3.70431        -0.146229     -0.084599     -0.113417
     -0.63017     16.61832     16.11548        -0.212657     -0.020782     -0.161937
     17.15335     15.07933     13.45602        -0.249208     -0.106320     -0.221657
     -0.10576      2.81199     17.23473        -0.128849      0.047159     -0.043874
     18.39500      5.61048     14.77292        -0.209396      0.201622     -0.195086
     20.93350     18.84528     11.37378         0.009190     -0.060232      0.115328
      1.97113     15.87680     14.12442         0.073335     -0.111073     -0.056266
      0.42028      4.93596     12.85168         0.068071     -0.015768      0.097538
      3.73488      6.17640     15.85065         0.001335     -0.136794      0.033895
     18.25707     20.71811      8.02767         0.006704     -0.037748      0.050398
     16.21475     19.59329      4.01413        -0.029803      0.086273     -0.174475
     17.77727      7.26111      9.80294        -0.168916      0.025819     -0.129478
     16.30377      9.87604      6.25234        -0.078632     -0.207458      0.165100
     18.65395      2.50909      3.24738         0.035920     -0.018876      0.207633
     20.68335     20.39020      5.66040         0.062627      0.023816      0.002835
     19.01189      9.22896      5.37600         0.528364     -0.117515      0.583683
      0.48518     10.28221      8.99025        -0.522450     -0.560565     -0.647226
     14.05233     17.31855      5.56541        -0.032533      0.072270     -0.049441
     16.02762     16.36501      5.72601        -0.045870     -0.102042     -0.112618
     14.79451     16.05472      3.96798        -0.126989     -0.034885      0.007384
     11.75269     15.24649     11.47993        -0.025118      0.134183     -0.018243
     11.44195     14.40282      9.49731        -0.043828     -0.072232      0.042243
     13.19128     13.80878     10.71921        -0.087549      0.036244      0.047253
     11.95331     18.02190      7.09160        -0.127243     -0.073012      0.134860
      9.93407     18.56421      6.40626        -0.021951     -0.133887      0.029991
     10.23392     16.86608      7.74118         0.036977      0.034136     -0.125407
     13.54621     18.53946      0.19682         0.200308     -0.062490      0.116214
     14.23706     17.05824      1.65543        -0.058063      0.046110     -0.083865
     12.22855     16.94313      0.77680        -0.008888      0.118580      0.003184
     11.33533      0.15871     18.30788        -0.027349     -0.009532     -0.181448
     13.08336     -0.62455     19.37712        -0.015272     -0.013586      0.022482
     12.61080     19.96392     17.34374         0.058290     -0.001424      0.305399
      8.21966     19.30356      3.22492        -0.010144      0.124859      0.106079
      7.67207     18.59981      1.23001         0.129471      0.136484      0.112353
      9.57204     18.00848      2.16824         0.088842      0.041590      0.067606
      7.57794      0.88376     20.11531        -0.169790     -0.151109      0.079498
      5.92943      1.09317     18.66262         0.066817      0.023578      0.059923
      5.89815     20.78090     20.17047        -0.114142      0.037050     -0.036944
     10.60382      1.27498     13.47751        -0.050739     -0.076442      0.222065
     11.39830     -0.16714     14.91050        -0.189145      0.009626      0.157778
      9.39467     20.84332     14.04612         0.023676      0.186357      0.006569
      8.91896      3.81603      9.54848         0.009311      0.034497     -0.031425
     10.39920      2.98434     10.94329        -0.048228     -0.030693      0.013346
     10.19784      2.17382      8.92126         0.002400     -0.008533      0.155004
      6.06426      1.95210     16.20689        -0.040639      0.022817     -0.092539
      5.13074      1.20700     14.39300        -0.123147      0.090071      0.001500
      7.10073      0.51335     14.96370        -0.031131      0.171678      0.021549
      4.47341      5.09403     12.00618         0.089746      0.197966     -0.042014
      2.75364      3.79113     11.66814         0.122129      0.102290     -0.018184
      4.37566      3.19343     13.02333        -0.112112      0.234574     -0.198830
      7.34074      4.54812      5.45671        -0.034720      0.060532     -0.100021
      7.56772      2.96095      6.92849         0.167500      0.258900     -0.104634
      5.57796      3.49239      6.13631        -0.052883      0.053765     -0.262158
     -0.57639      7.25647      4.62220        -0.057601     -0.038947      0.042289
      0.77425      7.23677      2.96825        -0.036189     -0.010767      0.093382
     -1.02713      5.93513      2.96065         0.024345      0.154704      0.040768
      3.03677      5.82312      9.90400        -0.069606     -0.036045      0.113266
      1.67233      4.58334      8.77769        -0.048657      0.083941     -0.164018
      3.73373      4.76384      8.13574         0.228170      0.095965      0.078851
      6.18780      6.86073      3.55158        -0.189373     -0.076283     -0.112995
      4.26064      7.60252      4.34557         0.045309     -0.033561     -0.219892
      4.95467      5.66970      4.92924         0.036309     -0.088076      0.033756
     -0.23679      8.49329     20.98685        -0.187221     -0.116752      0.169992
      1.38427      7.16049     -0.86020        -0.114708      0.066592     -0.173853
      0.05306      6.59700      0.73965         0.042858      0.010007      0.099364
     19.46595      9.53198     19.23385        -0.036696      0.082749      0.027716
     19.57397     10.25802     17.16425        -0.033074      0.147171     -0.067509
     18.13562      8.72587     17.70789         0.011993     -0.012087      0.115697
      4.82747      8.38461     20.02610        -0.007424      0.087029     -0.110123
      3.65466      6.87626     19.07474        -0.044232      0.198745      0.107238
      4.67604      8.33699     17.81858        -0.084657     -0.024252      0.069733
      3.15526     11.66022     14.18515        -0.018897     -0.046223      0.052750
      2.62567     11.38409     16.28971         0.083447     -0.081182      0.055541
      4.08532     10.08223     15.36271         0.080732      0.019504     -0.101594
     17.24041     11.26241     13.47097        -0.114512      0.004926      0.246679
     18.72436      9.90694     12.72533        -0.092539      0.087429      0.037492
     18.09310      9.76294     14.82277        -0.073529      0.098428     -0.011751
     16.24905     14.21410      9.83955         0.063525      0.027192     -0.210704
     17.90615     14.88493      8.54916         0.075451      0.031631     -0.172122
     16.34939     13.65774      7.70596         0.078285      0.018852      0.017310
      1.85636     12.61370     12.24535         0.139115      0.196175      0.101244
      0.43560     11.13037     11.71386        -0.042681     -0.047861      0.106376
      1.41825     12.29333     10.14525        -0.021179      0.157442     -0.114836
      1.23371     15.79912      6.69845        -0.123033     -0.039026      0.056983
      0.28045     15.57819      8.67786         0.165857     -0.076034     -0.019058
      1.81881     14.18728      8.05947        -0.073522      0.121256     -0.217038
     17.91282     16.39456      2.48337         0.162605      0.101699     -0.003815
     19.37549     14.86541      3.03350         0.085373     -0.016034     -0.074811
     17.27944     14.70935      3.69270         0.039876      0.116952     -0.072182
 -----------------------------------------------------------------------------------
    total drift:                                0.020169      0.017432     -0.028826


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4577.0558960466 eV

  energy  without entropy=    -4577.2086038580  energy(sigma->0) =    -4577.10679865
 
 d Force = 0.4993513E+00[ 0.208E+00, 0.791E+00]  d Energy = 0.4985719E+00 0.779E-03
 d Force = 0.6929706E+03[ 0.692E+03, 0.694E+03]  d Ewald  = 0.6929723E+03-0.165E-02


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.498572  1 .order   -0.499351   -0.790618   -0.208084
  (g-gl).g = 0.281E+01      g.g   = 0.285E+01  gl.gl    = 0.340E+01
 g(Force)  = 0.285E+01   g(Stress)= 0.000E+00 ortho     =-0.237E-02
 gamma     =   0.82747
 trial     =   0.27737
 opt step  =   0.37644  (harmonic =   0.37644) maximal distance =0.05708910
 next E    = -4577.093840   (d E  =  -0.53652)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   79(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3160
 total energy-change (2. order) : 0.1007585E+00  (-0.6859060E+01)
 number of electron    2497.9999994 magnetization 
 augmentation part      162.6443628 magnetization 

  free energy =  -0.457695512870E+04  energy without entropy=  -0.457710821723E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   79(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3512
 total energy-change (2. order) :-0.1399172E+00  (-0.1709345E+00)
 number of electron    2497.9999994 magnetization 
 augmentation part      162.6428897 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8746
  0.8746

  free energy =  -0.457709504593E+04  energy without entropy=  -0.457724740582E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   79(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3688
 total energy-change (2. order) : 0.3760502E-02  (-0.3451011E-02)
 number of electron    2497.9999994 magnetization 
 augmentation part      162.6399779 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4223
  1.0807  1.7639

  free energy =  -0.457709128543E+04  energy without entropy=  -0.457724420138E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   79(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3496
 total energy-change (2. order) :-0.1342893E-02  (-0.2801646E-02)
 number of electron    2497.9999994 magnetization 
 augmentation part      162.6369517 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2908
  2.2020  0.8353  0.8353

  free energy =  -0.457709262832E+04  energy without entropy=  -0.457724511053E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   79(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3704
 total energy-change (2. order) :-0.1726336E-03  (-0.5402982E-03)
 number of electron    2497.9999994 magnetization 
 augmentation part      162.6383119 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3269
  2.3933  1.0111  1.0111  0.8922

  free energy =  -0.457709280096E+04  energy without entropy=  -0.457724578221E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   79(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3568
 total energy-change (2. order) : 0.1967494E-03  (-0.2872016E-03)
 number of electron    2497.9999994 magnetization 
 augmentation part      162.6383544 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2357
  2.4045  1.0662  1.0662  0.8209  0.8209

  free energy =  -0.457709260421E+04  energy without entropy=  -0.457724521145E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   79(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3512
 total energy-change (2. order) :-0.1032682E-04  (-0.5668050E-04)
 number of electron    2497.9999994 magnetization 
 augmentation part      162.6381915 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2217
  2.3855  0.9774  0.9774  1.1909  1.1909  0.6080

  free energy =  -0.457709261453E+04  energy without entropy=  -0.457724559906E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   79(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3512
 total energy-change (2. order) : 0.1155768E-04  (-0.8452272E-05)
 number of electron    2497.9999994 magnetization 
 augmentation part      162.6385869 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2294
  2.4736  1.0631  1.0631  1.3398  1.2473  0.8428  0.5764

  free energy =  -0.457709260298E+04  energy without entropy=  -0.457724547828E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   79(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3048
 total energy-change (2. order) :-0.8435047E-05  (-0.5847954E-05)
 number of electron    2497.9999994 magnetization 
 augmentation part      162.6385869 magnetization 

  free energy =  -0.457709261141E+04  energy without entropy=  -0.457724549785E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0476       2 -56.1074       3 -56.0019       4 -55.8431       5 -55.8284
       6 -56.2867       7 -58.1327       8 -58.2057       9 -56.2558      10 -55.9279
      11 -56.0164      12 -55.8029      13 -55.7968      14 -55.9670      15 -58.0764
      16 -58.1087      17 -56.3630      18 -55.0079      19 -54.8758      20 -55.0689
      21 -55.6386      22 -55.5750      23 -55.5827      24 -55.6042      25 -55.0129
      26 -54.7325      27 -54.9090      28 -54.9330      29 -60.3926      30 -60.3718
      31 -55.6983      32 -55.8097      33 -55.7195      34 -55.4323      35 -55.5253
      36 -56.0124      37 -57.8004      38 -57.9645      39 -56.0935      40 -55.7994
      41 -55.9203      42 -55.6839      43 -55.7369      44 -55.9077      45 -58.0971
      46 -58.1145      47 -56.4694      48 -55.1500      49 -54.9388      50 -55.2942
      51 -55.8912      52 -55.8334      53 -55.7482      54 -55.7360      55 -55.0527
      56 -54.8378      57 -54.9773      58 -56.3587      59 -60.3510      60 -60.6181
      61 -55.9292      62 -55.9923      63 -55.8795      64 -55.7551      65 -55.7177
      66 -56.1795      67 -58.0570      68 -58.1541      69 -56.1699      70 -55.8619
      71 -55.9591      72 -55.6746      73 -55.6778      74 -55.9059      75 -58.0290
      76 -58.0645      77 -56.3219      78 -55.0772      79 -54.8902      80 -55.1823
      81 -55.7937      82 -55.7960      83 -55.8651      84 -55.8919      85 -55.2675
      86 -54.9945      87 -55.2019      88 -56.3918      89 -60.6601      90 -60.3894
      91 -55.7551      92 -55.8651      93 -55.7782      94 -55.5413      95 -55.5977
      96 -56.1161      97 -57.9385      98 -57.9966      99 -56.2013     100 -55.8942
     101 -56.0250     102 -55.7037     103 -55.7727     104 -55.9813     105 -58.1294
     106 -58.1374     107 -56.4243     108 -55.1772     109 -54.9518     110 -55.3746
     111 -55.8855     112 -55.8361     113 -55.7669     114 -55.7646     115 -55.0569
     116 -54.8567     117 -55.0396     118 -56.3152     119 -60.4239     120 -60.6103
     121 -55.9870     122 -55.9994     123 -55.8737     124 -55.7968     125 -55.7950
     126 -56.2229     127 -58.0715     128 -58.1774     129 -56.1960     130 -55.8262
     131 -55.9291     132 -55.7363     133 -55.6548     134 -55.8456     135 -57.9028
     136 -58.0369     137 -56.3730     138 -55.0650     139 -54.9093     140 -55.3262
     141 -55.8721     142 -55.8039     143 -55.8898     144 -55.8726     145 -55.2193
     146 -55.1015     147 -55.2863     148 -56.4159     149 -60.5088     150 -60.5701
     151 -55.6537     152 -55.7217     153 -55.5735     154 -55.4310     155 -55.4596
     156 -55.9126     157 -57.9212     158 -57.8860     159 -55.9930     160 -55.7333
     161 -55.8926     162 -55.5354     163 -55.5582     164 -55.7681     165 -57.9315
     166 -58.0821     167 -56.3430     168 -55.0293     169 -54.7879     170 -55.1798
     171 -55.8325     172 -55.8614     173 -55.8721     174 -55.8000     175 -55.3038
     176 -55.0002     177 -55.1185     178 -56.5038     179 -60.4578     180 -60.5682
     181 -55.8435     182 -56.0694     183 -55.9421     184 -55.6247     185 -55.6599
     186 -56.2237     187 -57.9651     188 -58.2268     189 -56.2577     190 -55.8766
     191 -56.0219     192 -55.7446     193 -55.7197     194 -55.9292     195 -58.0054
     196 -58.1639     197 -56.5166     198 -55.0859     199 -54.9233     200 -55.2919
     201 -55.8361     202 -55.8491     203 -55.9008     204 -55.8658     205 -55.1223
     206 -55.2000     207 -55.2091     208 -56.4729     209 -60.7010     210 -60.4931
     211 -55.9999     212 -56.0412     213 -55.9335     214 -55.8167     215 -55.7782
     216 -56.3009     217 -58.1494     218 -58.1377     219 -56.1640     220 -55.8410
     221 -55.9387     222 -55.5827     223 -55.5246     224 -55.8228     225 -57.9336
     226 -58.1177     227 -56.5127     228 -55.0664     229 -54.9364     230 -55.2524
     231 -55.7748     232 -55.7840     233 -55.7326     234 -55.7402     235 -55.0219
     236 -55.0952     237 -55.2412     238 -56.4780     239 -60.3608     240 -60.4038
     241 -55.9925     242 -56.0310     243 -55.9076     244 -55.7753     245 -55.7695
     246 -56.2107     247 -58.0854     248 -58.1368     249 -56.2006     250 -55.8793
     251 -55.9805     252 -55.7559     253 -55.7533     254 -55.9301     255 -57.9948
     256 -58.0343     257 -56.3383     258 -55.0752     259 -54.8497     260 -55.2381
     261 -55.7830     262 -55.7713     263 -55.8702     264 -55.9226     265 -55.2841
     266 -54.9736     267 -55.1939     268 -56.3753     269 -60.5867     270 -60.3666
     271 -55.8718     272 -55.9392     273 -55.7950     274 -55.6777     275 -55.6216
     276 -56.0420     277 -58.0854     278 -58.0866     279 -55.9373     280 -55.6527
     281 -55.7632     282 -55.5165     283 -55.5482     284 -55.8091     285 -58.0200
     286 -57.9467     287 -56.3748     288 -55.0631     289 -54.8598     290 -55.2016
     291 -55.8211     292 -55.7802     293 -55.8397     294 -55.8444     295 -55.2128
     296 -54.9573     297 -55.0477     298 -56.4183     299 -60.5136     300 -60.5354
     301 -55.8783     302 -56.0198     303 -55.9274     304 -55.6440     305 -55.6740
     306 -56.1973     307 -58.0388     308 -58.2242     309 -56.2366     310 -55.9154
     311 -55.9952     312 -55.7083     313 -55.6924     314 -55.8873     315 -57.9470
     316 -58.0884     317 -56.3798     318 -55.0082     319 -54.8242     320 -55.2645
     321 -55.7714     322 -55.7344     323 -55.8635     324 -55.8793     325 -55.2092
     326 -55.0835     327 -55.2413     328 -56.4172     329 -60.5349     330 -60.4524
     331 -55.7347     332 -55.7759     333 -55.6444     334 -55.5601     335 -55.5443
     336 -55.9761     337 -57.9288     338 -57.8997     339 -55.8989     340 -55.6226
     341 -55.7572     342 -55.4876     343 -55.5089     344 -55.7518     345 -57.9073
     346 -57.9477     347 -56.4635     348 -55.0125     349 -54.9533     350 -55.2851
     351 -55.7977     352 -55.7515     353 -55.7406     354 -55.7408     355 -55.1841
     356 -54.9352     357 -55.0193     358 -56.4209     359 -60.4739     360 -60.5217
     361 -39.0284     362 -38.7860     363 -38.9377     364 -38.9813     365 -38.9313
     366 -38.6931     367 -38.1510     368 -38.0749     369 -38.0989     370 -38.1255
     371 -38.1133     372 -38.1874     373 -38.6700     374 -38.3238     375 -38.7019
     376 -38.7974     377 -38.7867     378 -38.7278     379 -38.1685     380 -38.1262
     381 -38.2771     382 -38.0039     383 -38.2533     384 -37.9708     385 -38.8558
     386 -38.7954     387 -38.9037     388 -38.8398     389 -38.8191     390 -38.5495
     391 -38.2332     392 -38.2880     393 -38.2071     394 -38.2050     395 -38.1842
     396 -38.3034     397 -38.7140     398 -38.4674     399 -38.7916     400 -38.8365
     401 -38.7745     402 -38.7467     403 -38.1956     404 -38.1533     405 -38.4451
     406 -38.0123     407 -38.1015     408 -37.9335     409 -38.7554     410 -38.7867
     411 -38.9557     412 -38.7217     413 -38.9239     414 -38.6645     415 -38.2680
     416 -38.2183     417 -38.2605     418 -38.2502     419 -38.2849     420 -38.3199
     421 -38.5848     422 -38.3477     423 -38.5748     424 -38.7115     425 -38.5448
     426 -38.5629     427 -38.2384     428 -37.9794     429 -38.2830     430 -38.2154
     431 -38.1275     432 -38.0429     433 -38.7495     434 -38.6716     435 -38.8664
     436 -38.6584     437 -38.9367     438 -38.6637     439 -38.3619     440 -38.0876
     441 -38.1596     442 -38.1442     443 -38.1742     444 -38.1020     445 -38.8576
     446 -38.8780     447 -38.9598     448 -38.6787     449 -38.7636     450 -38.3587
     451 -38.0570     452 -37.9555     453 -38.1737     454 -37.9681     455 -38.2321
     456 -38.1753     457 -38.9237     458 -38.7114     459 -38.8955     460 -38.8679
     461 -38.8654     462 -38.7080     463 -38.1769     464 -38.2056     465 -38.2610
     466 -38.4029     467 -38.1885     468 -38.3565     469 -38.8347     470 -38.6545
     471 -38.7373     472 -38.7483     473 -38.5973     474 -38.4824     475 -38.3086
     476 -38.0563     477 -38.2048     478 -38.1727     479 -38.1756     480 -37.9799
     481 -38.8586     482 -38.7314     483 -38.9117     484 -38.8270     485 -38.9267
     486 -38.7310     487 -38.1534     488 -38.1886     489 -38.2667     490 -38.3215
     491 -38.2227     492 -38.3912     493 -38.8130     494 -38.5490     495 -38.6294
     496 -38.7660     497 -38.4759     498 -38.4695     499 -38.1813     500 -37.9258
     501 -38.2276     502 -38.1441     503 -38.1309     504 -37.9983     505 -38.2290
     506 -41.1543     507 -71.6479     508 -71.6372     509 -71.3576     510 -71.5715
     511 -71.4708     512 -71.5210     513 -71.4090     514 -71.5028     515 -71.6037
     516 -71.4848     517 -71.4264     518 -71.4155     519 -71.5901     520 -71.6361
     521 -71.5310     522 -71.5319     523 -71.5283     524 -71.4634     525 -71.5348
     526 -71.4256     527 -71.6159     528 -71.5389     529 -71.1940     530 -71.5121
     531 -76.8478     532 -76.8086     533 -76.7297     534 -76.7247     535 -76.6021
     536 -76.4164     537 -76.7658     538 -76.8120     539 -76.8854     540 -76.8081
     541 -76.6988     542 -76.6690     543 -76.6315     544 -76.6650     545 -76.8092
     546 -76.8431     547 -76.8162     548 -76.6929     549 -76.6603     550 -76.5045
     551 -76.5076     552 -76.6070     553 -76.8039     554 -76.6594     555 -76.7971
     556 -76.6245     557 -76.7813     558 -76.6104     559 -76.7902     560 -76.8357
     561 -76.7365     562 -76.5056     563 -76.7571     564 -76.7764     565 -76.6754
     566 -76.6487     567 -76.7201     568 -76.7931     569 -76.6515     570 -76.6703
     571 -76.8695     572 -76.7283     573 -76.7174     574 -76.5640     575 -76.4888
     576 -76.5569     577 -76.5931     578 -76.4688     579 -82.3537     580 -82.2286
     581 -82.3131     582 -82.3892     583 -82.3107     584 -82.2466     585 -82.4339
     586 -82.5126     587 -82.5841     588 -82.2412     589 -82.1348     590 -82.2447
     591 -82.3603     592 -82.2056     593 -82.2549     594 -82.7077     595 -82.4555
     596 -82.5672     597 -82.4716     598 -82.4791     599 -82.6442     600 -82.2280
     601 -82.1267     602 -82.3504     603 -82.4784     604 -82.4305     605 -82.5051
     606 -82.4449     607 -82.3109     608 -82.3553     609 -82.7539     610 -82.2905
     611 -82.3257     612 -82.4980     613 -82.3063     614 -82.2321     615 -82.5660
     616 -82.4827     617 -82.4296     618 -82.6649     619 -82.6372     620 -82.7039
     621 -82.1657     622 -82.3741     623 -82.3282     624 -82.2772     625 -82.2186
     626 -82.3152     627 -82.2316     628 -82.2645     629 -82.2949     630 -82.4135
     631 -82.5449     632 -82.3399     633 -82.4407     634 -82.4137     635 -82.4987
     636 -82.4161     637 -82.3795     638 -82.3115     639 -82.2306     640 -82.4585
     641 -82.4472     642 -82.3857     643 -82.5097     644 -82.3277     645 -82.4293
     646 -82.3824     647 -82.4915     648 -82.3889     649 -82.3876     650 -82.2937
 
 
 
 E-fermi :  -1.4800     XC(G=0):  -6.5300     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.1062      2.00000
      2     -28.9233      2.00000
      3     -28.9186      2.00000
      4     -28.8815      2.00000
      5     -28.8426      2.00000
      6     -28.8350      2.00000
      7     -28.8037      2.00000
      8     -28.7890      2.00000
      9     -28.7797      2.00000
     10     -28.7720      2.00000
     11     -28.7446      2.00000
     12     -28.7307      2.00000
     13     -28.7122      2.00000
     14     -28.7072      2.00000
     15     -28.7036      2.00000
     16     -28.6865      2.00000
     17     -28.6828      2.00000
     18     -28.6404      2.00000
     19     -28.6398      2.00000
     20     -28.5971      2.00000
     21     -28.5906      2.00000
     22     -28.5752      2.00000
     23     -28.5307      2.00000
     24     -28.5130      2.00000
     25     -26.8278      2.00000
     26     -26.6904      2.00000
     27     -26.6572      2.00000
     28     -26.6394      2.00000
     29     -26.6091      2.00000
     30     -26.6066      2.00000
     31     -26.5933      2.00000
     32     -26.5601      2.00000
     33     -26.5386      2.00000
     34     -26.5336      2.00000
     35     -26.5204      2.00000
     36     -26.5175      2.00000
     37     -26.5104      2.00000
     38     -26.5065      2.00000
     39     -26.5053      2.00000
     40     -26.4978      2.00000
     41     -26.4891      2.00000
     42     -26.4758      2.00000
     43     -26.4755      2.00000
     44     -26.4589      2.00000
     45     -26.4556      2.00000
     46     -26.4423      2.00000
     47     -26.4395      2.00000
     48     -26.4315      2.00000
     49     -26.4274      2.00000
     50     -26.4128      2.00000
     51     -26.3988      2.00000
     52     -26.3981      2.00000
     53     -26.3975      2.00000
     54     -26.3880      2.00000
     55     -26.3877      2.00000
     56     -26.3649      2.00000
     57     -26.3234      2.00000
     58     -26.3227      2.00000
     59     -26.3190      2.00000
     60     -26.3174      2.00000
     61     -26.3097      2.00000
     62     -26.3061      2.00000
     63     -26.2909      2.00000
     64     -26.2815      2.00000
     65     -26.2764      2.00000
     66     -26.2762      2.00000
     67     -26.2663      2.00000
     68     -26.2651      2.00000
     69     -26.2524      2.00000
     70     -26.2417      2.00000
     71     -26.2096      2.00000
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   1218      -2.3682      2.00000
   1219      -2.3654      2.00000
   1220      -2.3644      2.00000
   1221      -2.3591      2.00000
   1222      -2.3558      2.00000
   1223      -2.3420      2.00000
   1224      -2.3341      2.00000
   1225      -2.3264      2.00000
   1226      -2.3070      2.00000
   1227      -2.3010      2.00000
   1228      -2.2828      2.00000
   1229      -2.2747      2.00000
   1230      -2.2713      2.00000
   1231      -2.2667      2.00000
   1232      -2.2631      2.00000
   1233      -2.2406      2.00000
   1234      -2.2332      2.00000
   1235      -2.2193      2.00000
   1236      -2.2130      2.00000
   1237      -2.1911      2.00001
   1238      -1.7985      2.04687
   1239      -1.7459      2.06801
   1240      -1.7316      2.07059
   1241      -1.7275      2.07087
   1242      -1.7135      2.06981
   1243      -1.6829      2.05308
   1244      -1.6553      2.01420
   1245      -1.6415      1.98377
   1246      -1.6309      1.95482
   1247      -1.6272      1.94342
   1248      -1.6135      1.89589
   1249      -1.5975      1.82865
   1250       0.1489     -0.00000
   1251       0.1981     -0.00000
   1252       0.2041     -0.00000
   1253       0.2454     -0.00000
   1254       0.2593     -0.00000
   1255       0.2801     -0.00000
   1256       0.2868     -0.00000
   1257       0.3115     -0.00000
   1258       0.3515     -0.00000
   1259       0.3591     -0.00000
   1260       0.3788     -0.00000
   1261       0.4557     -0.00000
   1262       0.6292     -0.00000
   1263       0.6540     -0.00000
   1264       0.6843     -0.00000
   1265       0.7095     -0.00000
   1266       0.7150     -0.00000
   1267       0.7238     -0.00000
   1268       0.7681     -0.00000
   1269       0.7813     -0.00000
   1270       0.8050     -0.00000
   1271       0.8361     -0.00000
   1272       0.8493     -0.00000
   1273       0.8654     -0.00000
   1274       0.8939     -0.00000
   1275       0.9137     -0.00000
   1276       0.9280     -0.00000
   1277       0.9311     -0.00000
   1278       0.9583     -0.00000
   1279       0.9863     -0.00000
   1280       1.0132     -0.00000
   1281       1.0162     -0.00000
   1282       1.0628     -0.00000
   1283       1.1144     -0.00000
   1284       1.1232     -0.00000
   1285       1.1997     -0.00000
   1286       1.2507     -0.00000
   1287       1.2684     -0.00000
   1288       1.3243     -0.00000
   1289       1.3768     -0.00000
   1290       1.4061     -0.00000
   1291       1.4632     -0.00000
   1292       1.5106     -0.00000
   1293       1.5253     -0.00000
   1294       1.5668     -0.00000
   1295       1.5955     -0.00000
   1296       1.6205     -0.00000
   1297       1.6667     -0.00000
   1298       1.8180     -0.00000
   1299       1.8582     -0.00000
   1300       1.8724     -0.00000
   1301       1.9026     -0.00000
   1302       1.9296     -0.00000
   1303       1.9435     -0.00000
   1304       1.9934     -0.00000
   1305       2.0038     -0.00000
   1306       2.0266     -0.00000
   1307       2.0414     -0.00000
   1308       2.0706     -0.00000
   1309       2.0953     -0.00000
   1310       2.1132     -0.00000
   1311       2.1345     -0.00000
   1312       2.1547     -0.00000
   1313       2.1630     -0.00000
   1314       2.1789     -0.00000
   1315       2.1994     -0.00000
   1316       2.2123     -0.00000
   1317       2.2247     -0.00000
   1318       2.2309     -0.00000
   1319       2.2394     -0.00000
   1320       2.2620     -0.00000
   1321       2.3359     -0.00000
   1322       2.4338     -0.00000
   1323       2.4466     -0.00000
   1324       2.4512     -0.00000
   1325       2.4752     -0.00000
   1326       2.4964     -0.00000
   1327       2.5170     -0.00000
   1328       2.5221     -0.00000
   1329       2.5427     -0.00000
   1330       2.5476     -0.00000
   1331       2.5576     -0.00000
   1332       2.5641     -0.00000
   1333       2.5864     -0.00000
   1334       2.5974     -0.00000
   1335       2.6250     -0.00000
   1336       2.6346     -0.00000
   1337       2.6435     -0.00000
   1338       2.6539     -0.00000
   1339       2.6610     -0.00000
   1340       2.6709     -0.00000
   1341       2.6845     -0.00000
   1342       2.6933     -0.00000
   1343       2.7362     -0.00000
   1344       2.7876     -0.00000
   1345       2.7906     -0.00000
   1346       2.9487     -0.00000
   1347       2.9790     -0.00000
   1348       2.9970     -0.00000
   1349       3.0104     -0.00000
   1350       3.0213     -0.00000
   1351       3.0476     -0.00000
   1352       3.0587     -0.00000
   1353       3.0798     -0.00000
   1354       3.1052     -0.00000
   1355       3.1223     -0.00000
   1356       3.1417     -0.00000
   1357       3.1527     -0.00000
   1358       3.1572     -0.00000
   1359       3.1782     -0.00000
   1360       3.2141     -0.00000
   1361       3.2510     -0.00000
   1362       3.2964     -0.00000
   1363       3.4349     -0.00000
   1364       3.5222     -0.00000
   1365       3.5403     -0.00000
   1366       3.5897     -0.00000
   1367       3.6391     -0.00000
   1368       3.6966     -0.00000
   1369       3.7077     -0.00000
   1370       3.7445     -0.00000
   1371       3.7847     -0.00000
   1372       3.7950     -0.00000
   1373       3.8399     -0.00000
   1374       3.8535      0.00000
   1375       3.8594      0.00000
   1376       3.8836      0.00000
   1377       3.9008      0.00000
   1378       3.9203      0.00000
   1379       3.9253      0.00000
   1380       3.9428      0.00000
   1381       3.9599      0.00000
   1382       3.9646      0.00000
   1383       3.9676      0.00000
   1384       3.9872      0.00000
   1385       4.0029      0.00000
   1386       4.0084      0.00000
   1387       4.0177      0.00000
   1388       4.0357      0.00000
   1389       4.0440      0.00000
   1390       4.0521      0.00000
   1391       4.0642      0.00000
   1392       4.0731      0.00000
   1393       4.0945      0.00000
   1394       4.1029      0.00000
   1395       4.1079      0.00000
   1396       4.1193      0.00000
   1397       4.1430      0.00000
   1398       4.1532      0.00000
   1399       4.1705      0.00000
   1400       4.1749      0.00000
   1401       4.1864      0.00000
   1402       4.2003      0.00000
   1403       4.2219      0.00000
   1404       4.2278      0.00000
   1405       4.2384      0.00000
   1406       4.2469      0.00000
   1407       4.2605      0.00000
   1408       4.2860      0.00000
   1409       4.3068      0.00000
   1410       4.3195      0.00000
   1411       4.3257      0.00000
   1412       4.3383      0.00000
   1413       4.3491      0.00000
   1414       4.3601      0.00000
   1415       4.3816      0.00000
   1416       4.3905      0.00000
   1417       4.4052      0.00000
   1418       4.4195      0.00000
   1419       4.4295      0.00000
   1420       4.4329      0.00000
   1421       4.4474      0.00000
   1422       4.4506      0.00000
   1423       4.4693      0.00000
   1424       4.4959      0.00000
   1425       4.5192      0.00000
   1426       4.5284      0.00000
   1427       4.5365      0.00000
   1428       4.5560      0.00000
   1429       4.5854      0.00000
   1430       4.6065      0.00000
   1431       4.6310      0.00000
   1432       4.6450      0.00000
   1433       4.6738      0.00000
   1434       4.7046      0.00000
   1435       4.7272      0.00000
   1436       4.7678      0.00000
   1437       4.7820      0.00000
   1438       4.7957      0.00000
   1439       4.8238      0.00000
   1440       4.8367      0.00000
   1441       4.8626      0.00000
   1442       4.8687      0.00000
   1443       4.9152      0.00000
   1444       4.9178      0.00000
   1445       4.9201      0.00000
   1446       4.9381      0.00000
   1447       4.9571      0.00000
   1448       4.9739      0.00000
   1449       4.9977      0.00000
   1450       5.0114      0.00000
   1451       5.0379      0.00000
   1452       5.0434      0.00000
   1453       5.0643      0.00000
   1454       5.0806      0.00000
   1455       5.0923      0.00000
   1456       5.0979      0.00000
   1457       5.1371      0.00000
   1458       5.1436      0.00000
   1459       5.1467      0.00000
   1460       5.1760      0.00000
   1461       5.1904      0.00000
   1462       5.2048      0.00000
   1463       5.2271      0.00000
   1464       5.2395      0.00000
   1465       5.2458      0.00000
   1466       5.2586      0.00000
   1467       5.2616      0.00000
   1468       5.2780      0.00000
   1469       5.2870      0.00000
   1470       5.3010      0.00000
   1471       5.3140      0.00000
   1472       5.3235      0.00000
   1473       5.3306      0.00000
   1474       5.3431      0.00000
   1475       5.3498      0.00000
   1476       5.3588      0.00000
   1477       5.3644      0.00000
   1478       5.3734      0.00000
   1479       5.3879      0.00000
   1480       5.3937      0.00000
   1481       5.4076      0.00000
   1482       5.4082      0.00000
   1483       5.4210      0.00000
   1484       5.4359      0.00000
   1485       5.4378      0.00000
   1486       5.4453      0.00000
   1487       5.4465      0.00000
   1488       5.4624      0.00000
   1489       5.4718      0.00000
   1490       5.4857      0.00000
   1491       5.4974      0.00000
   1492       5.5032      0.00000
   1493       5.5146      0.00000
   1494       5.5168      0.00000
   1495       5.5194      0.00000
   1496       5.5210      0.00000
   1497       5.5350      0.00000
   1498       5.5440      0.00000
   1499       5.5534      0.00000
   1500       5.5540      0.00000
   1501       5.5720      0.00000
   1502       5.5810      0.00000
   1503       5.5912      0.00000
   1504       5.6019      0.00000
   1505       5.6087      0.00000
   1506       5.6158      0.00000
   1507       5.6230      0.00000
   1508       5.6328      0.00000
   1509       5.6351      0.00000
   1510       5.6410      0.00000
   1511       5.6542      0.00000
   1512       5.6616      0.00000
   1513       5.6734      0.00000
   1514       5.6828      0.00000
   1515       5.6886      0.00000
   1516       5.7113      0.00000
   1517       5.7139      0.00000
   1518       5.7217      0.00000
   1519       5.7319      0.00000
   1520       5.7373      0.00000
   1521       5.7470      0.00000
   1522       5.7564      0.00000
   1523       5.7681      0.00000
   1524       5.7799      0.00000
   1525       5.7966      0.00000
   1526       5.7988      0.00000
   1527       5.8139      0.00000
   1528       5.8158      0.00000
   1529       5.8325      0.00000
   1530       5.8369      0.00000
   1531       5.8440      0.00000
   1532       5.8494      0.00000
   1533       5.8645      0.00000
   1534       5.8680      0.00000
   1535       5.8811      0.00000
   1536       5.8871      0.00000
   1537       5.8987      0.00000
   1538       5.9053      0.00000
   1539       5.9218      0.00000
   1540       5.9240      0.00000
   1541       5.9458      0.00000
   1542       5.9555      0.00000
   1543       5.9665      0.00000
   1544       5.9762      0.00000
   1545       5.9800      0.00000
   1546       5.9866      0.00000
   1547       5.9974      0.00000
   1548       6.0081      0.00000
   1549       6.0239      0.00000
   1550       6.0277      0.00000
   1551       6.0332      0.00000
   1552       6.0388      0.00000
   1553       6.0404      0.00000
   1554       6.0562      0.00000
   1555       6.0626      0.00000
   1556       6.0696      0.00000
   1557       6.0800      0.00000
   1558       6.0952      0.00000
   1559       6.0991      0.00000
   1560       6.1111      0.00000
   1561       6.1199      0.00000
   1562       6.1244      0.00000
   1563       6.1394      0.00000
   1564       6.1457      0.00000
   1565       6.1501      0.00000
   1566       6.1607      0.00000
   1567       6.1754      0.00000
   1568       6.1875      0.00000
   1569       6.1925      0.00000
   1570       6.2010      0.00000
   1571       6.2115      0.00000
   1572       6.2160      0.00000
   1573       6.2213      0.00000
   1574       6.2250      0.00000
   1575       6.2350      0.00000
   1576       6.2530      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.088  13.412  -0.001   0.001  -0.000   0.002  -0.005   0.001
 13.412  17.831  -0.001   0.002  -0.000   0.002  -0.006   0.001
 -0.001  -0.001  -4.233   0.003   0.001   8.280  -0.004  -0.001
  0.001   0.002   0.003  -4.234   0.001  -0.004   8.280  -0.001
 -0.000  -0.000   0.001   0.001  -4.226  -0.001  -0.001   8.271
  0.002   0.002   8.280  -0.004  -0.001 -18.326   0.007   0.001
 -0.005  -0.006  -0.004   8.280  -0.001   0.007 -18.322   0.000
  0.001   0.001  -0.001  -0.001   8.271   0.001   0.000 -18.316
 total augmentation occupancy for first ion, spin component:           1
  8.415  -3.785   0.189   0.150  -0.069   0.024   0.028  -0.011
 -3.785   1.775  -0.096  -0.101   0.042  -0.010  -0.016   0.006
  0.189  -0.096   1.765  -0.060  -0.038   0.167  -0.012  -0.007
  0.150  -0.101  -0.060   1.900  -0.096  -0.012   0.177  -0.013
 -0.069   0.042  -0.038  -0.096   1.228  -0.007  -0.013   0.081
  0.024  -0.010   0.167  -0.012  -0.007   0.017  -0.002  -0.001
  0.028  -0.016  -0.012   0.177  -0.013  -0.002   0.018  -0.002
 -0.011   0.006  -0.007  -0.013   0.081  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -49319.66827 85295.21837 19796.47032 -9589.67931  6146.11599 18180.02992
  Hartree  6455.48828112238.26151 57614.00139-10032.05867  4101.06937 12406.65875
  E(xc)  -10734.73067-10586.81012-10628.70969     2.76864     8.35470    33.76422
  Local    9427.08498************************ 19619.28030-10259.88105-29975.01147
  n-local -5839.90599 -5980.54138 -6035.16695     5.45721    15.86447   -66.51039
  augment  1493.83486  1534.69853  1487.22884     4.39565    12.25639    -3.94404
  Kinetic 45481.97069 43251.53021 43651.17793   -34.06314   -70.51722  -585.51718
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -128.0674070   -393.5811534   -159.5160822    -23.8993210    -46.7373375    -10.5301761
  in kB      -21.3562652    -65.6328077    -26.6005835     -3.9854031     -7.7938251     -1.7559912
  external PRESSURE =     -37.8632188 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.223E+03 -.103E+03 0.241E+03   0.223E+03 0.104E+03 -.243E+03   -.272E+00 -.710E+00 0.144E+01   0.509E-03 0.587E-04 -.347E-03
   -.179E+03 -.131E+03 0.581E+02   0.178E+03 0.132E+03 -.578E+02   0.284E+00 -.120E+01 -.311E+00   0.529E-03 0.582E-04 -.328E-03
   -.147E+03 -.123E+03 0.495E+01   0.146E+03 0.124E+03 -.327E+01   0.331E+00 -.111E+01 -.160E+01   0.670E-03 0.107E-03 -.181E-03
   -.206E+03 -.899E+02 0.328E+03   0.206E+03 0.898E+02 -.331E+03   -.218E+00 -.992E-01 0.251E+01   0.857E-03 0.519E-04 -.635E-03
   -.155E+03 -.144E+03 0.292E+03   0.155E+03 0.145E+03 -.293E+03   0.172E+00 -.817E+00 0.100E+01   0.102E-02 -.231E-04 -.442E-03
   -.133E+03 -.109E+03 0.167E+03   0.133E+03 0.109E+03 -.167E+03   0.956E-01 -.192E+00 0.124E+00   0.827E-03 -.162E-03 -.262E-03
   -.223E+03 -.133E+03 0.168E+03   0.222E+03 0.138E+03 -.169E+03   0.429E+00 -.454E+01 0.954E+00   0.128E-03 -.945E-04 0.788E-04
   -.177E+03 -.101E+03 0.305E+02   0.177E+03 0.105E+03 -.323E+02   -.592E+00 -.403E+01 0.206E+01   0.446E-03 -.132E-03 -.720E-03
   -.929E+02 0.366E+01 0.194E+03   0.928E+02 -.362E+01 -.194E+03   0.148E+00 0.315E-01 0.133E+00   0.833E-03 -.562E-03 -.126E-03
   -.756E+02 0.888E+02 0.606E+02   0.753E+02 -.905E+02 -.594E+02   0.310E+00 0.149E+01 -.115E+01   0.714E-03 -.597E-03 -.201E-03
   -.764E+02 0.102E+03 0.129E+03   0.761E+02 -.104E+03 -.129E+03   0.363E+00 0.107E+01 0.947E-01   0.663E-03 -.143E-03 0.130E-03
   -.924E+02 -.481E+01 0.326E+03   0.924E+02 0.446E+01 -.327E+03   -.468E-02 0.357E+00 0.112E+01   0.962E-03 -.785E-03 -.256E-03
   -.101E+03 -.490E+02 0.354E+03   0.101E+03 0.501E+02 -.356E+03   -.218E+00 -.874E+00 0.237E+01   0.110E-02 -.739E-03 0.283E-04
   -.100E+03 0.155E+02 0.296E+03   0.100E+03 -.154E+02 -.298E+03   -.773E-01 0.546E-01 0.159E+01   0.913E-03 -.246E-03 0.336E-03
   -.928E+02 0.101E+03 0.261E+03   0.921E+02 -.105E+03 -.263E+03   0.669E+00 0.386E+01 0.241E+01   0.775E-03 -.669E-05 0.584E-03
   -.738E+02 0.113E+03 0.953E+02   0.736E+02 -.117E+03 -.982E+02   0.139E+00 0.301E+01 0.355E+01   0.376E-03 0.255E-03 -.355E-03
   -.591E+02 0.989E+02 0.446E+02   0.596E+02 -.942E+02 -.401E+02   -.526E+00 -.470E+01 -.426E+01   0.213E-03 0.805E-03 0.325E-03
   0.699E+01 0.200E+03 -.152E+03   -.750E+01 -.202E+03 0.154E+03   0.494E+00 0.192E+01 -.210E+01   0.166E-03 0.114E-02 -.629E-04
   0.377E+02 0.153E+03 -.198E+03   -.381E+02 -.154E+03 0.200E+03   0.397E+00 0.159E+00 -.204E+01   0.230E-03 0.515E-03 -.221E-03
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 -----------------------------------------------------------------------------------------------
   0.337E+02 0.476E+01 -.150E+02   -.841E-11 -.193E-11 -.693E-11   -.337E+02 -.474E+01 0.150E+02   0.450E-01 0.107E-01 -.801E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.19057      3.15965      1.33868        -0.007250     -0.205563     -0.137491
     12.94388      3.59451      2.63530         0.031566     -0.051151      0.069265
     12.88416      4.95012      2.95863        -0.033070      0.261831      0.077691
     13.23697      4.07594      0.29132         0.096979     -0.177192      0.020788
     13.10812      5.43195      0.60187         0.116696      0.067820     -0.056084
     13.00733      5.92601      1.92841         0.016557     -0.093984      0.046740
     13.31683      1.66932      1.35097        -0.154474      0.154456      0.265224
     12.74450      2.38725      3.49628        -0.003539     -0.086397      0.218074
     13.08566      7.40451      2.20689         0.063721      0.071214      0.076040
     13.09303      7.94085      3.52427        -0.052276     -0.217908      0.007500
     13.30444      9.30648      3.71930         0.078463     -0.099360     -0.004479
     13.25170      8.33471      1.14649         0.080284      0.004642     -0.108423
     13.47219      9.70124      1.34442         0.061745      0.239541      0.147146
     13.51622     10.17585      2.65735         0.023906      0.122026     -0.043994
     13.77139     11.54545      3.20467        -0.025092     -0.035259     -0.246508
     13.38494     10.09017      4.98747        -0.054566     -0.232938      0.653800
     13.75587     12.54632      5.55478        -0.072412     -0.069068      0.241024
     13.49057     12.39927      6.92846        -0.014150      0.032967      0.009591
     13.55871     13.50169      7.78473        -0.021058     -0.242342     -0.258973
     14.10856     13.83327      5.12847        -0.120333     -0.058193      0.167495
     14.17037     14.92811      6.00182        -0.081792      0.009377     -0.016500
     13.86431     14.81480      7.39607        -0.031652      0.167925      0.258437
     13.90287     15.93049      8.43418        -0.006919      0.086986      0.183995
     13.21696     15.99622      9.70880         0.068452     -0.071783     -0.150415
     13.28488     17.15658     10.50280        -0.023146     -0.160799     -0.006408
     14.69668     17.06580      8.17167         0.073332     -0.163270      0.034777
     14.71179     18.23017      8.93163        -0.041730     -0.063831     -0.034916
     13.96703     18.29950     10.09881         0.080730      0.021300      0.017631
     12.40093     14.87807     10.33182         0.117807      0.051333     -0.040018
     14.71974     16.15775      5.31884         0.174350     -0.015295      0.038601
      9.86508      3.84992      4.69887        -0.045051     -0.232248     -0.126896
      9.71119      4.76517      3.66196        -0.002749      0.043910     -0.036847
      9.72520      6.15044      3.90322         0.031872      0.073786     -0.031437
     10.12729      4.27809      5.99706         0.035184     -0.066338     -0.139555
     10.20991      5.65313      6.22707         0.019098     -0.141959     -0.014549
      9.97929      6.63285      5.22108         0.089585     -0.040642     -0.060802
      9.66778      2.46727      4.16575        -0.038362     -0.694708      0.305793
      9.57528      3.98172      2.38129        -0.022837     -0.004985     -0.213039
     10.04153      8.09696      5.59464         0.025056     -0.000459      0.041663
     10.05814      9.15680      4.64888         0.033869     -0.166210     -0.110213
     10.16864     10.47709      5.08622         0.026468      0.011909     -0.107421
     10.08336      8.48024      6.96238        -0.094686     -0.053466      0.117313
     10.15081      9.80962      7.39944         0.043966      0.081267     -0.011148
     10.21779     10.81378      6.43567        -0.048065      0.176300     -0.009508
     10.28432     12.30657      6.55321         0.056787     -0.513979     -0.709350
     10.25419     11.73776      4.28690        -0.039840     -0.001039     -0.302772
     10.68553     14.18986      4.84019         0.106214     -0.152758     -0.023367
     11.23151     14.51397      3.58932         0.057216     -0.024734      0.112470
     11.60670     15.82867      3.30399        -0.051884     -0.055290     -0.000734
     10.54560     15.26230      5.73726         0.090170     -0.123086     -0.005654
     10.94736     16.58049      5.44262         0.052883      0.002499      0.080373
     11.52907     16.94188      4.16588         0.122658      0.098486     -0.023482
     12.05986     18.31548      3.70027        -0.057584     -0.112619      0.201559
     12.68155     18.69659      2.45253         0.035556      0.239907     -0.257283
     12.99534     20.04491      2.18117        -0.176134      0.069695     -0.018668
     11.94184     19.41995      4.57180        -0.041019      0.073173     -0.049238
     12.21733     20.76027      4.30647         0.043578     -0.119647     -0.022986
     12.72981     21.11173      3.05785        -0.029811      0.209662     -0.120599
     13.16691     17.81714      1.29192        -0.114628     -0.224140      0.021829
     10.76777     17.49323      6.64757         0.126523      0.151494      0.104271
     10.62857      7.07661     14.80700        -0.127022     -0.286361     -0.009003
     10.54248      7.49819     16.12700         0.008368     -0.099592      0.352085
     10.55020      8.85770     16.47300         0.056935      0.016598      0.141610
     10.61891      8.00832     13.77059         0.061095     -0.267417      0.115684
     10.56600      9.35785     14.10778         0.035301      0.133506      0.090218
     10.58177      9.83930     15.44718         0.010758      0.056966     -0.083830
     10.61024      5.57359     14.76629        -0.229733      1.091611      1.137367
     10.37509      6.26587     16.99765         0.166325      0.116694     -1.124881
     10.62703     11.33066     15.70058         0.074760      0.291305     -0.056120
     10.70096     11.94062     16.98693        -0.009002     -0.229581      0.041502
     10.77241     13.33508     17.09753         0.052595     -0.064598      0.006988
     10.64459     12.22647     14.59452         0.052008     -0.029554     -0.087601
     10.76343     13.61691     14.70083        -0.004694      0.039167      0.103291
     10.82016     14.16831     15.98029         0.055255      0.074291      0.019270
     10.93228     15.59066     16.43629         0.054079      0.017716     -0.152947
     10.81163     14.20459     18.31819        -0.026748     -0.149681      0.493742
     10.78254     16.73003     18.71377        -0.008928      0.011567     -0.029176
     10.05129     16.71836     19.89875         0.184179     -0.006084     -0.056843
      9.89540     17.88816     20.64165        -0.104928     -0.014066      0.004738
     11.37002     17.95766     18.37821        -0.074619      0.023468      0.078113
     11.23209     19.13058     19.15374         0.013053      0.052448     -0.121986
     10.43020     19.16069     20.36610        -0.145300      0.182478      0.096684
     10.08754     20.34540      0.07465         0.071681     -0.166909     -0.029215
      9.36372     20.30083      1.33989         0.246903     -0.126398     -0.123168
      9.18290      0.19054      2.13668         0.051267      0.139799      0.142007
     10.49808      0.40393     21.02917        -0.045673      0.037405     -0.004212
     10.33461      1.54543      0.57011        -0.075813     -0.020872      0.158198
      9.68989      1.46215      1.81300         0.034193     -0.004144     -0.157008
      8.72360     19.07073      1.97592         0.014930      0.013461     -0.221758
     12.06109     20.26917     18.56227         0.040019      0.002630     -0.012995
      7.31748      7.66205     17.32180        -0.017166     -0.109527     -0.043517
      7.12679      8.57819     16.29213        -0.012433      0.027220     -0.033959
      7.06902      9.95874     16.55472        -0.002819      0.064712     -0.111844
      7.57779      8.08713     18.61919         0.030564     -0.128014     -0.136070
      7.60598      9.45974     18.86057        -0.039878      0.036124      0.053837
      7.30523     10.44354     17.87677         0.049935     -0.049635     -0.062050
      7.15332      6.28029     16.79722         0.020696      0.094751     -0.151001
      7.02871      7.77979     15.00978        -0.009547      0.098140     -0.047295
      7.26793     11.90786     18.28409         0.022830      0.169271      0.001556
      7.11818     13.00622     17.38303         0.012730     -0.282009     -0.146455
      7.14483     14.32299     17.86150        -0.050355      0.081467     -0.157113
      7.41301     12.25870     19.65423        -0.060676     -0.080691      0.132896
      7.39033     13.57116     20.13775         0.042721      0.194590     -0.095919
      7.25524     14.61450     19.21971        -0.085149      0.128509      0.013808
      7.19367     16.10742     19.40543         0.010254     -0.652893     -1.024372
      7.10616     15.63561     17.11550         0.024118     -0.101900      0.146252
      7.50986     18.07321     17.77976         0.082908     -0.078674     -0.045821
      8.35534     18.41523     16.71633        -0.023117     -0.046127      0.033342
      8.74338     19.74461     16.52530         0.095870     -0.003704     -0.102125
      7.04411     19.15068     18.54596         0.021289     -0.032013      0.044387
      7.42831     20.49609     18.32700         0.014940      0.057641      0.053070
      8.36294     20.87072     17.28343         0.102125      0.123358      0.100229
      8.97303      1.00631     16.92901        -0.007459     -0.239069     -0.013499
      9.74647      1.37317     15.75198         0.011638      0.045892      0.067587
     10.20047      2.69518     15.57862         0.016619      0.222252     -0.177170
      8.79305      2.10658     17.80083        -0.118939     -0.038425     -0.082702
      9.21844      3.42975     17.61511         0.309219      0.006569     -0.221532
      9.94389      3.76253     16.45750        -0.006582      0.082967     -0.020916
     10.26043      0.51997     14.57504         0.224659     -0.219599     -0.203958
      6.71841      0.17968     19.29098         0.217697      0.084907     -0.037889
      6.90368     10.82148      6.24725        -0.061055     -0.112073      0.045615
      6.86875     11.27158      7.56056        -0.021863     -0.048362      0.200918
      6.90541     12.63791      7.88621         0.021972      0.174185      0.159390
      7.00056     11.75233      5.20960        -0.053072     -0.162041      0.108834
      7.04933     13.11495      5.53557        -0.015771      0.040998     -0.068898
      7.00088     13.62945      6.86249         0.000392     -0.112560      0.020662
      6.89593      9.32041      6.25666         0.021716     -0.349643     -0.366890
      6.86012     10.05342      8.45258         0.045702     -0.055929      0.310729
      7.08771     15.13763      7.10545        -0.008603      0.069989     -0.026334
      7.14522     15.75486      8.39200         0.011619     -0.137206      0.058280
      7.25214     17.15579      8.50688         0.031706     -0.123817      0.043493
      7.17164     16.03387      5.99689        -0.094827     -0.089853     -0.103487
      7.26897     17.42210      6.11598        -0.095151      0.129896      0.121917
      7.27436     17.98189      7.38974         0.002213      0.046625     -0.007933
      7.40009     19.40811      7.81926         0.033150      0.607686     -0.382467
      7.48469     18.03654      9.70385         0.144305     -0.184585      0.615198
      7.70861     20.56295     10.06729         0.032612     -0.046989      0.175883
      7.22591     20.53160     11.37750         0.021013     -0.122106     -0.123140
      7.22326      0.42650     12.15108         0.078288      0.061722     -0.148203
      8.35294      0.49370      9.67133         0.000150     -0.118608      0.120423
      8.47499      1.61531     10.52680         0.075086      0.005540      0.019800
      7.78961      1.66859     11.81132        -0.124566      0.080950      0.229670
      7.55756      2.84385     12.79862        -0.048740     -0.346560      0.226422
      6.91793      2.81151     14.12656         0.358791      0.079321     -0.436680
      6.73510      3.99698     14.84750         0.151955      0.452543      0.025117
      7.94336      4.14573     12.42985        -0.033395      0.274919      0.039421
      7.83299      5.31917     13.20502         0.078205     -0.041387     -0.103961
      7.21462      5.26399     14.45624        -0.164722     -0.056059      0.095283
      6.31313      1.63976     14.90389         0.190805     -0.279546     -0.219615
      9.49057      2.63541     10.00101        -0.249001     -0.115160      0.114213
      4.29439     11.55455     10.40802        -0.023065     -0.151574     -0.000668
      4.06739     12.41526      9.34375        -0.019997      0.103417     -0.106628
      4.22306     13.80080      9.47737        -0.092995      0.070222     -0.102883
      4.72973     12.05606     11.63697        -0.118480     -0.156379     -0.178994
      4.77346     13.44339     11.80313        -0.002886     -0.101470      0.046647
      4.51062     14.35934     10.74991        -0.026141     -0.065032     -0.025695
      3.86836     10.17524     10.01780         0.039518      0.052496     -0.012730
      3.57221     11.59541      8.18749        -0.087693      0.052887     -0.403057
      4.48993     15.84211     11.01302        -0.053881      0.136748     -0.080786
      4.06827     16.79256     10.03338         0.070363     -0.153383     -0.041664
      4.08308     18.15932     10.33485        -0.105434      0.013449     -0.229307
      4.88182     16.35009     12.27897         0.000125     -0.053620      0.115936
      4.79344     17.70370     12.60770        -0.017475      0.039726     -0.022705
      4.38976     18.59247     11.62033        -0.059481      0.035385     -0.039701
      4.26387     20.06379     11.68675        -0.049209     -0.375414     -0.522580
      3.88583     19.39444      9.47006         0.296031     -0.112426      1.232448
      4.36262      0.62565      9.97362         0.067805     -0.020696     -0.029882
      4.89983      0.99337      8.73426        -0.014743     -0.361697      0.106483
      5.44675      2.26166      8.58198        -0.099831      0.010117     -0.116382
      4.23917      1.67807     10.88100         0.078631      0.035001      0.049661
      4.72573      2.99652     10.67169        -0.005559      0.010096      0.009578
      5.46792      3.35451      9.48575         0.030333     -0.035275     -0.194584
      6.09016      4.71364      9.00461        -0.021085     -0.195320      0.089576
      6.56923      5.03301      7.68074         0.027192      0.209709     -0.146615
      6.83595      6.35869      7.24972        -0.054230      0.103110      0.084849
      6.11818      5.86066      9.82451        -0.032723      0.165341      0.185838
      6.32854      7.18845      9.41057        -0.036969     -0.128715     -0.152433
      6.65404      7.48925      8.07439        -0.065269      0.187662      0.241353
      6.77207      4.02483      6.57011        -0.165657     -0.117812     -0.054647
      4.12703      3.80238     11.81158        -0.006680     -0.114508      0.051659
      0.79500     14.08907      1.04285         0.053983     -0.023773     -0.071014
      1.50118     14.53054      2.14896         0.141972      0.149973      0.294429
      1.52740     15.91989      2.46019         0.161178     -0.024297     -0.062104
      0.25567     14.96827      0.11968        -0.048851     -0.143975      0.009034
      0.39488     16.32746      0.35503        -0.075466      0.240291      0.019228
      0.95692     16.87329      1.54361         0.057449     -0.051085      0.038410
      0.76676     12.61895      1.00035        -0.566962     -0.326753     -0.537508
      2.14501     13.26594      2.74418         0.311719     -0.010067      0.573770
      0.92186     18.40654      1.68864         0.028840      0.070599      0.125877
      1.34471     19.16206      2.83032        -0.016496     -0.242515      0.041587
      1.24392     20.56936      2.81984        -0.038208     -0.082856      0.168341
      0.41293     19.18406      0.60165        -0.029932     -0.137791      0.039409
      0.24704     20.56893      0.62988        -0.091699      0.139016      0.044878
      0.65567     -0.00037      1.76492         0.071532      0.051233      0.059625
      0.58738      1.45462      2.08553        -0.206824      0.456585     -0.528494
      1.69196      0.34840      3.81619         0.252546     -0.104969      0.478007
      1.32828      2.90275      4.05017        -0.029495     -0.023988     -0.042383
      1.98930      2.99321      5.27841         0.100108      0.030703      0.046788
      2.12153      4.21962      5.92346         0.042494      0.015511     -0.052599
      0.73668      4.10245      3.60511         0.049438      0.172574      0.146162
      0.81392      5.31748      4.33587         0.118848     -0.225171      0.108638
      1.59465      5.46785      5.53559         0.168812     -0.097679      0.230172
      1.96477      6.71206      6.40165        -0.074343     -0.260157     -0.257270
      2.43402      6.69699      7.76245        -0.056762      0.082909     -0.071079
      2.85075      7.85981      8.42719         0.113687      0.004654      0.031709
      1.99344      8.02399      5.86990         0.162388      0.219676     -0.287677
      2.46929      9.19029      6.51421        -0.020702     -0.179157      0.020183
      2.92345      9.13124      7.85133        -0.002190      0.153468     -0.158721
      2.68776      5.49005      8.63607        -0.303690     -0.036635      0.000952
     -0.00975      6.41276      3.73026         0.073046      0.008690      0.075879
      4.56885     14.10957      0.64005        -0.030768      0.057599     -0.045591
      3.99593     15.02298     -0.24216        -0.122732      0.016878     -0.194952
      4.05270     16.41507     -0.02751        -0.124119      0.104769     -0.089528
      5.20618     14.58904      1.78449        -0.147507     -0.242688     -0.200651
      5.19630     15.96194      2.03318        -0.027548      0.332993      0.069547
      4.62723     16.94788      1.16812        -0.089323      0.261251      0.102073
      4.35595     12.71530      0.13056        -0.034964      0.112438     -0.079092
      3.34949     14.21179     19.90773         0.072594      0.064721      0.147551
      4.65149     18.45070      1.60288        -0.027767      0.010736      0.078994
      4.15637     19.59529      0.88633        -0.014214     -0.119378     -0.157537
      4.30003     20.91302      1.41222        -0.039224     -0.108183     -0.200818
      5.21958     18.76220      2.87176        -0.008622     -0.052856     -0.002521
      5.39741     20.05615      3.37332         0.011818      0.223740      0.010475
      4.96118     21.14682      2.61395        -0.057855     -0.201543     -0.053274
      5.08585      1.36468      2.84039         0.445937      0.318461      0.657575
      3.85067      1.02159      0.90406        -0.156257     -0.109365     -0.344171
      4.04985      3.48490      1.76914         0.058781     -0.069237     -0.031344
      3.17489      4.04793      0.81244         0.196841     -0.169099     -0.047462
      2.96093      5.43000      0.73415         0.055674      0.005187      0.103280
      4.60968      4.43153      2.65705        -0.198880      0.037232     -0.149695
      4.25175      5.80936      2.65626         0.007213     -0.139779      0.048101
      3.41988      6.41450      1.65639        -0.255140     -0.273456     -0.111943
      2.96750      7.88798      1.59928         0.123015      0.069741      0.016206
      1.72393      8.42289      1.09519         0.147501     -0.097136     -0.153256
      1.38670      9.77460      1.23980         0.383725      0.338741      0.250730
      3.78379      8.89447      2.17554        -0.195969     -0.142948     -0.277523
      3.42472     10.23170      2.40804        -0.187685      0.298991      0.040516
      2.19984     10.72977      1.90524        -0.155662     -0.210672      0.025801
      0.70840      7.66033      0.23674         0.473350      0.122912     -0.355875
      4.89225      6.49727      3.84793         0.037653      0.211911     -0.009799
     18.01722     17.33909     13.86229        -0.060830     -0.316552     -0.019968
     18.99515     17.79964     14.74104        -0.064026     -0.029841     -0.029115
     19.22057     19.16584     14.93138         0.122611      0.161334      0.059347
     17.32684     18.23884     13.04877         0.018129     -0.145069      0.099641
     17.63452     19.59886     13.16443        -0.113839      0.017937      0.075827
     18.51825     20.12135     14.14658         0.005916      0.035489      0.035978
     17.97776     15.83399     13.93125         0.465357      0.383903      0.222579
     19.70687     16.61011     15.30952         0.333708     -0.235282      0.330767
     18.65766      0.35930     14.34007        -0.115623      0.053858     -0.068806
     19.54012      0.95166     15.28693        -0.032408     -0.310481      0.007650
     19.55204      2.33961     15.45478        -0.036639     -0.041498      0.157315
     17.83134      1.25373     13.60292        -0.125607      0.074697     -0.014339
     17.84180      2.64442     13.78030         0.049530      0.019827      0.116544
     18.71575      3.17974     14.72506        -0.038351      0.177624      0.024321
     18.93293      4.59571     15.17557         0.118280     -0.185399      0.077195
     20.33202      3.18817     16.41240         0.235711      0.001780      0.282694
     20.54008      5.71154     16.81588         0.049920     -0.178574      0.025717
      0.61217      5.70056     17.23681         0.179308      0.162795      0.106517
      1.22000      6.87604     17.71187        -0.130378     -0.603871     -0.255928
     19.84686      6.90856     17.04527         0.226879      0.066470      0.206754
     20.45214      8.05399     17.62310        -0.007854      0.107666      0.010533
      0.61840      8.12118     17.92506        -0.123116      0.175407     -0.016253
      1.49984      9.29651     18.46865        -0.543808      0.345606     -0.007383
      2.85789      9.29104     18.96285         0.337031      0.013454      0.305214
      3.47870     10.47420     19.45078        -0.513018      0.367473      0.093292
      0.93664     10.60550     18.53299         0.288418     -0.229943     -0.031742
      1.52185     11.76293     19.06717         0.145922     -0.385692      0.047906
      2.82110     11.70768     19.58275         0.325796     -0.116255      0.039005
      3.95263      8.21149     18.98169        -0.071979     -0.277475     -0.145386
     19.41955      9.13085     17.93994         0.109243     -0.014184     -0.096771
      1.79173     18.30963     14.13676        -0.130764     -0.261957      0.048647
      1.08930     19.20820     13.33489         0.141672      0.046303      0.107162
      1.15014     20.58300     13.56672        -0.153706      0.247706      0.009653
      2.56391     18.76537     15.20482        -0.067650     -0.132871     -0.206017
      2.58571     20.14039     15.45521         0.178754     -0.161418      0.075608
      1.88993     21.09135     14.67041         0.027943     -0.174423     -0.095858
      1.50732     16.91466     13.67753        -0.209150      0.412506     -0.044925
      0.34014     18.42262     12.30819        -0.380209      0.050071     -0.337203
      2.03231      1.29458     14.96805        -0.017258     -0.020791      0.008048
      1.52812      2.29578     14.10373        -0.154204     -0.214437     -0.076818
      1.80627      3.63068     14.36877        -0.097672      0.115230     -0.096718
      2.71461      1.73626     16.12927         0.157671      0.156894      0.090456
      3.07892      3.07333     16.34005         0.054428     -0.036591     -0.041570
      2.66526      4.01208     15.39716        -0.079211      0.260541     -0.033376
      2.89992      5.48407     15.27607         0.154040      0.418765      0.215647
      1.28588      4.86464     13.70362         0.187027     -0.124019      0.186862
      1.47646      7.32722     14.21663         0.017653      0.031915      0.185554
      0.14860      7.62954     13.88992        -0.009869     -0.092418      0.027176
     20.94153      8.92952     14.04878         0.021107     -0.056765      0.064825
      2.27244      8.42356     14.58882        -0.109872     -0.102861      0.027310
      1.78936      9.74151     14.71109        -0.022978      0.057807      0.042410
      0.39596     10.06317     14.47268        -0.098478      0.166341      0.084988
     20.88157     11.39538     14.60283         0.115400     -0.154643      0.033973
     19.48859     11.65493     14.28265        -0.136318      0.046399     -0.093209
     18.93280     12.94576     14.39163         0.059631      0.221444     -0.067544
      0.27432     12.56151     15.06518        -0.051446      0.028090     -0.055803
     -0.25963     13.85305     15.12632        -0.071897     -0.077522      0.038802
     19.66521     14.08767     14.76598         0.161266      0.194584      0.073641
     18.40548     10.65944     13.84120         0.039129     -0.119277     -0.091650
      2.89015     10.70374     15.12146         0.035827      0.129224      0.173824
     16.36013      0.41984      5.24642         0.010542     -0.125811     -0.044283
     16.93963      0.79094      6.45379         0.069690     -0.116341      0.122295
     16.85990      2.11140      6.93250        -0.004079      0.113970      0.120005
     15.70494      1.35028      4.46249         0.068034     -0.122936      0.078215
     15.67411      2.66794      4.91139        -0.042033      0.087466     -0.072384
     16.22663      3.11656      6.13940        -0.012133     -0.077144      0.021165
     16.65964     20.25648      4.94193         0.009653      0.065922      0.045866
     17.67464     20.83329      6.96515         0.016308     -0.007388      0.143898
     16.18678      4.60904      6.45396         0.007109      0.096176     -0.021985
     16.75022      5.25243      7.59724        -0.022670     -0.163249      0.064434
     16.74986      6.65846      7.67728        -0.013621     -0.038791      0.047612
     15.60522      5.48336      5.49086         0.032723     -0.018704     -0.146664
     15.66610      6.87531      5.54352         0.078524      0.109680      0.063341
     16.26308      7.46073      6.65180        -0.037276      0.158676      0.057437
     16.53273      8.89676      6.95873        -0.218944      0.461153     -0.265391
     17.29555      7.57997      8.72748         0.219176     -0.195959      0.669208
     17.67271     10.10828      8.89452        -0.079665     -0.144343      0.071324
     18.70166      9.99793      9.82711        -0.063427      0.208692      0.050691
     19.28218     11.13771     10.38495        -0.195835     -0.097523     -0.052133
     17.20677     11.40934      8.64863         0.133089      0.068493      0.070611
     17.82390     12.55075      9.21505        -0.086037     -0.021653     -0.174184
     18.95263     12.46991     10.10320         0.126844      0.123742      0.159815
     19.76775     13.60690     10.76601        -0.143227     -0.037718      0.083684
     21.08917     13.53335     11.35802        -0.295177      0.046493     -0.019182
      0.44211     14.67079     11.91469        -0.065087      0.174824      0.050412
     19.20035     14.89954     10.90064         0.014572     -0.009515      0.060884
     19.82144     16.03497     11.43869         0.133383     -0.194738      0.019841
     21.11932     15.93733     11.96254        -0.125360      0.100731      0.052274
      0.83815     12.39201     11.37129         0.130251     -0.120479     -0.194428
     17.10536     13.81766      8.82355         0.044759      0.003067      0.102564
     20.25607      1.48975      6.23394        -0.013764     -0.123923     -0.111002
     19.65046      2.50739      5.50070         0.002310      0.248516     -0.052459
     19.57278      3.80555      5.98043         0.023980     -0.055408     -0.075622
     20.76942      1.75064      7.49582        -0.039368      0.006828     -0.003915
     20.63518      3.04284      8.01096         0.047066     -0.025760      0.134634
     20.06203      4.10623      7.27222        -0.103271      0.074601     -0.059652
     20.24384      0.24860      5.40900         0.072733     -0.175476     -0.012129
     19.21843      1.95505      4.18571        -0.300791      0.183205     -0.651989
     20.08408      5.52542      7.73630        -0.045520      0.052009     -0.008179
     19.64959      6.55658      6.87407        -0.090312      0.052947      0.055331
     19.97443      7.87654      7.16296        -0.118275      0.108418     -0.083614
     -0.65864      5.92146      8.99122         0.067035      0.075218      0.223208
     -0.35872      7.25625      9.29522         0.030991     -0.094364      0.053040
     20.66439      8.22058      8.31739        -0.067679     -0.041255     -0.218066
     -0.24662      9.65215      8.22345         0.720377      0.792087      0.610004
     19.71076      9.12280      6.37951        -0.398186      0.129506     -0.506630
     20.31219     11.58978      6.68320        -0.041392     -0.071389     -0.033544
     19.36212     12.02618      5.74042         0.091116     -0.049023      0.091178
     19.17576     13.38546      5.51378         0.024021     -0.015406      0.001305
     21.13687     12.59268      7.24164        -0.149622     -0.032866     -0.104992
     20.96614     13.96301      6.95183        -0.008996      0.027059     -0.001421
     19.91028     14.43716      6.10401        -0.295101     -0.025194     -0.097865
     19.42592     15.86541      5.88929         0.020613     -0.209189      0.079721
     18.68301     16.37324      4.76783         0.052740      0.165493      0.037293
     18.13676     17.66724      4.78842         0.042687      0.083963      0.129182
     19.56014     16.79745      6.94390        -0.036367      0.002422     -0.048108
     19.01430     18.07754      6.97917         0.009098     -0.063697     -0.052563
     18.23940     18.52568      5.90408        -0.113379      0.173952      0.084254
     18.33094     15.59996      3.50431         0.146909      0.009664      0.011416
      0.74650     14.87388      7.57288         0.035544     -0.014418      0.028585
     12.72815      5.24533      4.00148         0.003885     -0.057457     -0.115263
     13.36312      3.74622     20.51313        -0.008505      0.056472      0.140293
     13.11184      6.11634     21.01382         0.041827      0.094714      0.053728
     12.95476      7.30024      4.39991        -0.025200      0.058660     -0.087671
     13.24977      7.99294      0.11068        -0.030883     -0.058735      0.060680
     13.62758     10.38085      0.49666        -0.047061     -0.153634      0.151157
     13.42440     13.28902      8.83214        -0.087024     -0.099739      0.083425
     13.21952     11.43000      7.34567         0.136282      0.066932     -0.059700
     14.30422     14.01065      4.08278         0.147642     -0.071715     -0.158073
     12.79434     17.15905     11.47615        -0.125057     -0.016228     -0.110734
     15.35587     17.05141      7.32127         0.034445      0.034415      0.147435
     15.30386     19.07620      8.57566         0.040880      0.001218      0.103714
      9.53489      6.83883      3.07182         0.043341     -0.080585      0.117718
     10.24287      3.55166      6.80625         0.073640      0.143147     -0.074607
     10.44951      5.94987      7.24750         0.009832      0.106516     -0.037386
      9.98677      8.96131      3.57750         0.044990     -0.020115     -0.000916
     10.00707      7.72122      7.74646         0.045489      0.052214     -0.159457
     10.13995     10.03835      8.47213         0.043623      0.001184     -0.190027
     11.99651     15.96781      2.31259         0.132562     -0.046545     -0.045127
     11.43969     13.74357      2.84589        -0.157065      0.125362      0.015519
     10.19156     15.05661      6.74178        -0.074508     -0.042848     -0.072421
     13.41530     20.27414      1.20928         0.064560      0.039723      0.101802
     11.60070     19.26151      5.57097        -0.154156      0.048357      0.071206
     11.99827      0.24783      5.06731         0.048998     -0.065280     -0.023545
     10.50230      9.14692     17.52976         0.012379     -0.072380     -0.155908
     10.61936      7.69486     12.72383         0.037703      0.004266      0.059579
     10.49419     10.05171     13.27405         0.084896      0.080524      0.017584
     10.70620     11.34002     17.90248        -0.023916      0.047811     -0.083079
     10.58502     11.83544     13.57899         0.025695     -0.002994      0.055141
     10.81736     14.23573     13.79822        -0.044037     -0.044226      0.154322
      9.28411     17.74964      0.25171        -0.103147     -0.025912     -0.101335
      9.58349     15.80580     20.26282         0.118557      0.037107      0.021058
     11.93292     18.02447     17.45525         0.079947     -0.021924     -0.004630
      8.66533      0.08241      3.08453        -0.012073      0.000355     -0.007736
     10.97238      0.59060     20.07902         0.119282      0.016607      0.086999
     10.74769      2.49704      0.22679        -0.176805     -0.114072     -0.076575
      6.81065     10.64085     15.73815         0.120136     -0.035748      0.076637
      7.75806      7.36192     19.41871        -0.010600      0.124303     -0.069662
      7.84149      9.74642     19.88309        -0.002653      0.144256      0.002910
      6.99252     12.83052     16.31037         0.064370      0.047253      0.050018
      7.52418     11.48659     20.41775        -0.022577      0.011380     -0.139437
      7.50073     13.75637     -0.04719        -0.022011      0.012577     -0.181143
      9.38792     19.90281     15.67829         0.220473     -0.183532      0.123115
      8.75117     17.65725     16.03402        -0.050162      0.143714      0.115039
      6.36647     18.95734     19.37356         0.068414     -0.097485     -0.071509
     10.71193      2.91742     14.64423         0.048577      0.039737      0.247431
      8.22695      1.95923     18.70607         0.062021      0.021632      0.012137
      8.93922      4.18084     18.35705         0.139790     -0.171908     -0.083049
      6.83997     12.91702      8.94097         0.168458      0.028525     -0.075309
      7.06955     11.43364      4.16406        -0.057859      0.028711      0.116652
      7.15725     13.79335      4.68760        -0.028699      0.041783      0.103329
      7.11443     15.15116      9.30528         0.093989      0.058776     -0.102629
      7.17518     15.66127      4.97030         0.029023     -0.159639      0.139313
      7.41557     18.06527      5.24373        -0.153356     -0.150126      0.002172
      6.74744      0.31907     13.10337        -0.183480     -0.061394      0.029392
      6.83228     19.59859     11.79049         0.074792      0.266440     -0.034678
      8.80664      0.54553      8.68127        -0.008260     -0.032414      0.122488
      6.21838      3.96057     15.79633        -0.005936     -0.103510      0.082435
      8.35974      4.28668     11.44289         0.146262      0.062671     -0.023332
      8.27961      6.24790     12.82724        -0.304970     -0.211594      0.000902
      4.06359     14.44300      8.60892         0.000308     -0.090972      0.072469
      4.95922     11.38364     12.46612        -0.092240      0.061511     -0.052472
      4.94007     13.80129     12.82075         0.145099      0.063228     -0.112396
      3.73616     16.45563      9.04934         0.063095      0.073699     -0.023998
      5.26800     15.68896     13.05891        -0.063456     -0.012968     -0.149688
      5.06477     18.07317     13.60010         0.025531     -0.122505     -0.055250
      5.84697      2.38033      7.60491         0.162777     -0.101921     -0.006629
      4.92780      0.29110      7.89295         0.118050      0.177832      0.188176
      3.73997      1.47378     11.82308         0.036348      0.015855     -0.044387
      7.14661      6.51181      6.21921        -0.041204     -0.033963      0.119969
      5.91432      5.74468     10.87733        -0.109451      0.014127      0.101001
      6.16866      7.99223     10.12627         0.164234     -0.112328      0.132973
      2.02120     16.25494      3.37994        -0.057521     -0.024673     -0.117873
     -0.21951     14.58320     20.47634        -0.096815      0.098121     -0.020150
      0.04272     16.98081     20.81689        -0.088008     -0.028078      0.144196
      1.71622     18.66467      3.73643         0.027879      0.092704     -0.207540
      0.10055     18.70612     20.93345         0.014067     -0.040026      0.085611
     -0.20041     -0.15381     21.04752         0.074981     -0.079083      0.004966
      2.72241      4.18174      6.80305         0.134841     -0.203238      0.004727
      2.41469      2.10940      5.74901         0.099149      0.054034     -0.070986
      0.15707      4.10050      2.68627        -0.016665     -0.031710      0.027762
      3.15602      7.76585      9.45884         0.057222      0.045687      0.048978
      1.72094      8.16015      4.82048        -0.025785      0.013259      0.194649
      2.49287     10.12216      5.94815        -0.012697     -0.045390      0.065591
      3.63251     17.05623     20.44953        -0.042827      0.084809      0.175140
      5.65699     13.89199      2.49459        -0.000678      0.089641      0.022338
      5.65187     16.25677      2.97769         0.013104      0.104043     -0.080480
      3.67908     19.46369     -0.09430         0.050333      0.082642      0.192382
      5.59503     17.95804      3.50872        -0.095825      0.125454     -0.078565
      5.89215     20.20180      4.33882        -0.080853      0.034710     -0.076460
      2.40625      5.74171     -0.13676        -0.176319      0.000521      0.080649
      2.65663      3.40389      0.09952         0.166017      0.116997     -0.022418
      5.31396      4.13051      3.42467        -0.060052     -0.300865     -0.003737
      0.47353     10.14368      0.78746        -0.042452     -0.175107      0.078915
      4.79676      8.61013      2.42984         0.143228      0.101903      0.195365
      4.12338     10.85294      2.98179        -0.177949      0.012928     -0.330666
     19.95994     19.48061     15.67095        -0.018119     -0.018728      0.002537
     16.58375     17.89808     12.31811         0.132223      0.021292      0.089414
     17.14925     20.26150     12.44853        -0.033477      0.086737      0.102740
     20.19428      0.31972     15.89793        -0.041541      0.186506     -0.036474
     17.10346      0.87562     12.87989         0.140094     -0.078750      0.095993
     17.15714      3.29032     13.22035         0.108541     -0.099252      0.020100
      2.24835      6.74200     17.97902         0.167904      0.067076     -0.176216
      1.20778      4.78051     17.20467        -0.250338      0.304105      0.041582
     18.78826      6.94648     16.81359        -0.018092      0.062972     -0.029761
      4.50475     10.44880     19.80069        -0.025687     -0.213538     -0.022574
     -0.03754     10.74977     18.10492        -0.255739      0.083529      0.001099
      0.93983     12.67619     19.09454        -0.085010      0.147848     -0.081951
      0.61700      0.00096     12.89549        -0.045545     -0.051602      0.017313
      3.15978     18.06613     15.80376        -0.175508      0.128175     -0.016767
      3.22633     20.46802     16.27230        -0.030132      0.108677      0.016891
      0.94201      2.03212     13.21893         0.001647      0.087708      0.086023
      3.01520      1.03116     16.90568        -0.026542     -0.037277     -0.109776
      3.64273      3.35963     17.23766        -0.039048     -0.059199     -0.245391
     19.90346      9.03482     13.82877        -0.130663     -0.155499      0.053276
     20.68567      6.88209     13.55504         0.205843     -0.002925      0.092764
      3.30446      8.22563     14.84566         0.100286      0.030975     -0.040363
     17.89314     13.06295     14.11258        -0.020358      0.115781      0.052449
      1.29327     12.49052     15.40580         0.110562      0.050542     -0.095049
      0.39837     14.66883     15.42002        -0.064390     -0.096842      0.101714
     17.33644      2.36996      7.88354        -0.030831     -0.052723     -0.064302
     15.27012      1.04591      3.50911         0.092916      0.135532      0.049676
     15.21790      3.36868      4.22297        -0.031492      0.178340      0.038816
     17.23390      4.68706      8.40484        -0.175094      0.039167     -0.147885
     15.09857      5.08163      4.61701         0.090187     -0.105111     -0.005579
     15.27388      7.49091      4.72931         0.057431     -0.131503      0.106327
     20.03845     10.93564     11.11102         0.117770      0.010626      0.053023
     19.06943      9.01717     10.11094        -0.078202      0.098215      0.197067
     16.35403     11.56059      7.99225         0.095777     -0.053255     -0.032287
      1.41526     14.55660     12.36769         0.116800      0.027261     -0.027678
     18.17950     15.05893     10.57744         0.037152     -0.038805      0.199221
     19.26155     16.96761     11.47741         0.084811      0.004470     -0.104825
     19.18080      4.58490      5.33092        -0.124052     -0.076210     -0.044995
      0.04020      0.97390      8.04196        -0.045273     -0.083751      0.183506
     -0.20047      3.22555      8.99642        -0.068106      0.074696      0.048040
     19.08636      6.33846      5.97093         0.082280      0.045034     -0.002831
     -0.43346      5.17137      9.75279        -0.074413      0.087154     -0.061758
      0.05010      7.52079     10.27374         0.077289     -0.031062     -0.088955
     18.36271     13.63007      4.84968        -0.122312     -0.053161      0.029508
     18.75117     11.30683      5.19616        -0.032984      0.099921      0.151550
      0.67520     12.30311      7.91459         0.000599     -0.008071     -0.009112
     17.54770     17.99127      3.93729         0.033973     -0.030220     -0.005664
     20.06890     16.48938      7.84229         0.070359     -0.026596      0.102561
     19.19028     18.72061      7.84045        -0.063790     -0.127556      0.010308
     13.92954     19.21264     10.69541         0.005302     -0.047992      0.072159
     19.46635     21.22023      3.42605        -0.050291      0.005514      0.001356
     12.93331      1.23141      2.67041         0.048146      0.010122     -0.077222
     13.65376     11.45325      4.63111        -0.086876     -0.242693      0.044949
      9.61354      2.57789      2.72978        -0.013181      0.213722      0.088075
     10.39522     12.82284      5.21073         0.054004      0.029704     -0.182293
     10.32379      5.12593     16.09800        -0.128855     -0.093239      0.558527
     10.87325     15.56919     17.86268        -0.012520     -0.171216      0.184644
      7.08959      6.38459     15.36269         0.172305      0.062981      0.101571
      7.20891     16.68649     18.09162         0.084009     -0.074079     -0.231676
      6.76258      8.87700      7.61305         0.067214      0.160612      0.055034
      7.56553     19.40268      9.23224        -0.013571     -0.396952     -0.107677
      3.43717     10.23704      8.63468         0.113385     -0.055838      0.028465
      4.06169     20.53303     10.35284         0.054413     -0.057263     -0.108553
      1.77239     12.13247      1.88382        -0.105619     -0.050732      0.240957
      1.21269      1.64653      3.35070         0.098187     -0.301855      0.028449
      3.47001     12.81891     20.27048        -0.087780      0.176222     -0.221003
      4.32032      2.04015      1.83979        -0.200276     -0.108704     -0.281667
     19.12490     15.43320     14.71085        -0.036000      0.002820      0.061084
     19.92773      4.55175     16.20217         0.171485     -0.088075      0.015050
      0.54385     17.03071     12.60922         0.027734      0.096004     -0.036307
      1.95852      5.97688     14.30329        -0.300099     -0.089171     -0.062734
     17.56334     19.79831      5.94587        -0.004132      0.101693      0.014093
     17.15386      8.93505      8.24217        -0.113933     -0.299489      0.041387
     19.59726      0.60158      4.20553         0.042295      0.288763      0.452062
     20.39670     10.19713      7.04832        -0.128080     -0.134260     -0.131351
     12.46191      2.38694      4.68783         0.193978     -0.064095     -0.103087
     13.70490      0.94409      0.45780         0.136379      0.027403     -0.341507
     13.23052      9.65374      6.12744         0.122450      0.170176     -0.606209
     14.02734     12.55427      2.56568        -0.046165     -0.083234      0.006353
      9.47919      4.41806      1.24436         0.009341     -0.071002      0.091796
      9.55821      1.41877      4.79604         0.135275      0.670763     -0.377099
     10.19683     11.83773      3.06500         0.011450      0.012714      0.230842
     10.22301     12.97812      7.55473        -0.065761      0.392426      0.720557
     10.29493      6.23331     18.20309        -0.041988     -0.222300      0.803620
     10.80587      4.87714     13.80806         0.289814     -0.849639     -1.280623
     10.78608     13.84596     19.49137         0.028787      0.189411     -0.463069
     11.05266     16.59497     15.74858        -0.077054     -0.115007      0.022873
      6.95090      8.20072     13.86917        -0.026796      0.048198     -0.120095
      7.06755      5.25433     17.45175        -0.048099      0.004189     -0.051898
      7.01303     15.80478     15.91291        -0.011649      0.048193     -0.239950
      7.11821     16.72662     20.43593        -0.150807      0.532811      0.966368
      6.97967     10.03835      9.66946        -0.048835      0.025001     -0.127130
      7.03930      8.57672      5.29476        -0.114990      0.353911      0.227714
      7.63489     17.68954     10.87030        -0.069348      0.073360     -0.487169
      7.34835     20.42180      7.12543         0.039964     -0.547792      0.218727
      3.31489     11.97598      7.05462         0.096149     -0.059874      0.104729
      3.85521      9.18849     10.73614         0.012984      0.021542     -0.000169
      3.67714     19.46821      8.28750        -0.183596      0.013881     -1.054527
      4.31471     20.75316     12.68121        -0.041089      0.306265      0.552188
      2.84295     13.16166      3.74193        -0.209116      0.036092     -0.533495
     -0.04517     11.97600      0.33391         0.441577      0.199268      0.206321
      2.37528      0.16564      4.81368        -0.242353      0.064043     -0.313050
      0.08578      2.33730      1.39577         0.191496     -0.359453      0.197325
      2.84630     14.60890     18.87424        -0.207908      0.129203     -0.105672
      4.86271     11.68144      0.54363         0.049545      0.118357      0.016406
      3.18873      1.24839     -0.09707         0.126714     -0.045174      0.129824
      5.76700      1.91400      3.70167        -0.311682     -0.227010     -0.322094
     -0.62998     16.61640     16.12028        -0.354085      0.009940     -0.289892
     17.15541     15.07920     13.45860        -0.335834     -0.177137     -0.276626
     -0.10652      2.81244     17.23854        -0.177837      0.055634     -0.087904
     18.39702      5.61115     14.77325        -0.193959      0.179253     -0.183580
     20.92755     18.84713     11.37405         0.166680     -0.145846      0.323085
      1.96725     15.87880     14.12397         0.090656     -0.147796     -0.028535
      0.41893      4.93724     12.85085        -0.222848      0.021112     -0.199844
      3.72679      6.18041     15.85553        -0.260955     -0.390331     -0.156535
     18.25868     20.71670      8.03016        -0.049445     -0.021082     -0.042251
     16.22137     19.59576      4.01318        -0.019049      0.099564     -0.160866
     17.77131      7.26083      9.81246        -0.301333      0.104714     -0.435520
     16.30546      9.87485      6.25433        -0.043825     -0.359705      0.281574
     18.65642      2.51262      3.24586         0.161642     -0.139332      0.432226
     20.68503     20.39437      5.66238         0.044309      0.069182     -0.011785
     19.00769      9.22996      5.37666         0.480162     -0.113562      0.505903
      0.48147     10.28379      8.98765        -0.492945     -0.528042     -0.612665
     14.05357     17.31562      5.57069        -0.021504      0.062364     -0.052853
     16.02988     16.36140      5.72559        -0.055457     -0.102561     -0.116572
     14.79111     16.05146      3.97167        -0.112658     -0.028487     -0.041577
     11.74894     15.24370     11.47873        -0.034740      0.153702     -0.006711
     11.44228     14.39957      9.49684        -0.051356     -0.084992      0.023850
     13.18973     13.80771     10.72353        -0.082790      0.036299      0.024255
     11.95242     18.02441      7.08953        -0.125062     -0.065560      0.138758
      9.93126     18.56357      6.40517        -0.013542     -0.136924      0.029753
     10.23549     16.86658      7.74148         0.037041      0.042382     -0.140264
     13.55468     18.53971      0.19996         0.212812     -0.059975      0.098449
     14.23700     17.05589      1.65947        -0.021043      0.027252     -0.083076
     12.23124     16.94603      0.77478         0.001434      0.122285     -0.000751
     11.34276      0.15427     18.30661        -0.010652     -0.016656     -0.188274
     13.08505     -0.62844     19.38699        -0.002665     -0.003928      0.007292
     12.62419     19.95846     17.35084         0.071024      0.002586      0.290896
      8.21433     19.30398      3.21842        -0.044620      0.123449      0.134739
      7.67271     18.59517      1.22387         0.097708      0.134021      0.112197
      9.57287     18.01167      2.16753         0.074474      0.035771      0.057781
      7.57788      0.88327     20.10886        -0.173709     -0.141670      0.102914
      5.93194      1.09659     18.65305         0.075664      0.010692      0.078327
      5.89450     20.78465     20.16210        -0.111492      0.040514     -0.045935
     10.61676      1.27554     13.48242        -0.038552     -0.069324      0.232640
     11.40515     -0.17133     14.91768        -0.250264      0.061998      0.130654
      9.40030     20.84913     14.04832         0.038817      0.199582      0.014103
      8.92691      3.80970      9.54827         0.003454      0.060973     -0.033661
     10.40144      2.98371     10.95200        -0.021695     -0.015128      0.030432
     10.20985      2.16725      8.93094        -0.003462      0.003333      0.177687
      6.06612      1.95386     16.20482        -0.086765      0.043207      0.002272
      5.13255      1.20575     14.39186        -0.125126      0.099645      0.014066
      7.10146      0.51238     14.96767        -0.038826      0.196761      0.000303
      4.46241      5.09453     12.00194         0.106634      0.210296     -0.049634
      2.75037      3.78267     11.66554         0.107093      0.112465     -0.029758
      4.37422      3.19458     13.02276        -0.108260      0.252372     -0.237304
      7.34379      4.55234      5.45966        -0.035589      0.063345     -0.090398
      7.57098      2.96365      6.92846         0.192641      0.236716     -0.088045
      5.58153      3.49410      6.13645        -0.046777      0.054034     -0.249303
     -0.57525      7.25598      4.62744        -0.076970     -0.012119      0.052736
      0.77074      7.23343      2.96786        -0.085186     -0.040902      0.148106
     -1.03429      5.93409      2.96716         0.036493      0.176750      0.059174
      3.02876      5.82644      9.90433        -0.073667     -0.051757      0.102317
      1.66795      4.58525      8.77534        -0.042216      0.062398     -0.173698
      3.73340      4.76576      8.13952         0.197043      0.091796      0.085829
      6.18827      6.85809      3.54962        -0.193132     -0.098703     -0.118669
      4.26375      7.60360      4.34106         0.023213     -0.028381     -0.220563
      4.94989      5.66927      4.92475         0.051749     -0.125207      0.072502
     -0.24246      8.48999     20.99358        -0.179527     -0.143283      0.170337
      1.37812      7.15920     -0.86118        -0.123670      0.076274     -0.122237
      0.05217      6.59281      0.74226         0.010141     -0.061421      0.115617
     19.46746      9.53781     19.23655        -0.046918      0.069674      0.017967
     19.56945     10.25614     17.16485        -0.028038      0.162661     -0.085420
     18.13386      8.72602     17.71602        -0.027923     -0.030286      0.116392
      4.82502      8.39263     20.02491         0.068989      0.080795     -0.038454
      3.65237      6.88026     19.08261        -0.054706      0.143426      0.111952
      4.67103      8.33444     17.82038        -0.043724     -0.007951      0.018300
      3.14994     11.66598     14.18413        -0.019126     -0.051853      0.050159
      2.62606     11.37828     16.28867         0.098426     -0.088130      0.044239
      4.08775     10.08347     15.35029         0.047400      0.042263     -0.104138
     17.23788     11.26299     13.48065        -0.137805     -0.000609      0.241261
     18.72018      9.90917     12.72794        -0.106021      0.081967      0.049837
     18.09493      9.76216     14.82792        -0.083619      0.089388     -0.014576
     16.25023     14.21647      9.83828         0.075141      0.028521     -0.236846
     17.91084     14.88274      8.54775         0.071815      0.053221     -0.167550
     16.35327     13.65777      7.70409         0.061843      0.024167      0.014592
      1.85863     12.61825     12.24172         0.144575      0.192472      0.090734
      0.43878     11.13363     11.71105        -0.052242     -0.044440      0.107589
      1.41826     12.29629     10.14176        -0.013214      0.167095     -0.128459
      1.23000     15.80287      6.68990        -0.121572     -0.037746      0.052176
      0.28675     15.57360      8.67284         0.157635     -0.063958     -0.011577
      1.82591     14.18868      8.04342        -0.078865      0.124064     -0.215317
     17.92785     16.40115      2.47917         0.153761      0.104426     -0.017420
     19.38667     14.87013      3.03210         0.086480     -0.033636     -0.074028
     17.28731     14.71447      3.68162         0.024799      0.097149     -0.071921
 -----------------------------------------------------------------------------------
    total drift:                                0.014104      0.026150     -0.016259


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4577.0926114122 eV

  energy  without entropy=    -4577.2454978546  energy(sigma->0) =    -4577.14357356
 
 d Force = 0.3692081E-01[-0.487E-03, 0.743E-01]  d Energy = 0.3671537E-01 0.205E-03
 d Force = 0.2468884E+03[ 0.247E+03, 0.247E+03]  d Ewald  = 0.2468885E+03-0.102E-03


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   80(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3160
 total energy-change (2. order) : 0.7612491E+00  (-0.5977769E+02)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6765827 magnetization 

  free energy =  -0.457633135393E+04  energy without entropy=  -0.457648564360E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   80(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) :-0.1283990E+01  (-0.1533659E+01)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.7269691 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8551
  0.8551

  free energy =  -0.457761534415E+04  energy without entropy=  -0.457776875912E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   80(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3752
 total energy-change (2. order) : 0.4304416E-01  (-0.2992995E-01)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6872429 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4053
  1.0810  1.7297

  free energy =  -0.457757229999E+04  energy without entropy=  -0.457772675828E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   80(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) :-0.5423151E-02  (-0.2513581E-01)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6511421 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2875
  2.1839  0.8393  0.8393

  free energy =  -0.457757772314E+04  energy without entropy=  -0.457773058685E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   80(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3656
 total energy-change (2. order) :-0.1158993E-02  (-0.4750000E-02)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6586818 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3314
  2.3936  1.0182  1.0182  0.8957

  free energy =  -0.457757888213E+04  energy without entropy=  -0.457773300469E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   80(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) : 0.1709717E-02  (-0.2579110E-02)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6617073 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2402
  2.4018  1.0686  1.0686  0.8311  0.8311

  free energy =  -0.457757717241E+04  energy without entropy=  -0.457773012633E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   80(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3520
 total energy-change (2. order) :-0.1885043E-04  (-0.5000485E-03)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6630528 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2236
  2.3827  0.9841  0.9841  1.1863  1.1863  0.6180

  free energy =  -0.457757719126E+04  energy without entropy=  -0.457773125477E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   80(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) : 0.1560913E-03  (-0.8231305E-04)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6662743 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2166
  2.4550  1.0723  1.0723  1.2517  1.2517  0.8348  0.5784

  free energy =  -0.457757703517E+04  energy without entropy=  -0.457773067143E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   80(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3664
 total energy-change (2. order) :-0.2756383E-04  (-0.5293190E-04)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6654004 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2118
  2.5047  1.5409  1.0209  1.0209  1.1623  0.9341  0.9341  0.5770

  free energy =  -0.457757706274E+04  energy without entropy=  -0.457773073906E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   80(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3408
 total energy-change (2. order) :-0.3735477E-05  (-0.7564147E-05)
 number of electron    2498.0000026 magnetization 
 augmentation part      162.6654004 magnetization 

  free energy =  -0.457757706647E+04  energy without entropy=  -0.457773077017E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0404       2 -56.1030       3 -55.9981       4 -55.8390       5 -55.8281
       6 -56.2810       7 -58.1064       8 -58.2123       9 -56.2535      10 -55.9259
      11 -56.0117      12 -55.8035      13 -55.7921      14 -55.9607      15 -58.0718
      16 -58.1109      17 -56.3669      18 -55.0149      19 -54.8903      20 -55.0725
      21 -55.6415      22 -55.5828      23 -55.5848      24 -55.6082      25 -55.0132
      26 -54.7463      27 -54.9131      28 -54.9290      29 -60.3877      30 -60.3753
      31 -55.6840      32 -55.7930      33 -55.7066      34 -55.4291      35 -55.5190
      36 -56.0044      37 -57.8019      38 -57.9518      39 -56.1001      40 -55.8091
      41 -55.9333      42 -55.6869      43 -55.7413      44 -55.9199      45 -58.0694
      46 -58.1305      47 -56.4715      48 -55.1506      49 -54.9427      50 -55.2839
      51 -55.8852      52 -55.8295      53 -55.7461      54 -55.7269      55 -55.0404
      56 -54.8386      57 -54.9771      58 -56.3572      59 -60.3490      60 -60.6181
      61 -55.9670      62 -56.0331      63 -55.9088      64 -55.7860      65 -55.7371
      66 -56.1998      67 -58.0307      68 -58.1324      69 -56.1813      70 -55.8768
      71 -55.9658      72 -55.6851      73 -55.6846      74 -55.9106      75 -58.0248
      76 -58.0688      77 -56.3109      78 -55.0706      79 -54.8849      80 -55.1746
      81 -55.7785      82 -55.7853      83 -55.8651      84 -55.8858      85 -55.2689
      86 -54.9964      87 -55.2005      88 -56.3869      89 -60.6569      90 -60.3851
      91 -55.7615      92 -55.8729      93 -55.7839      94 -55.5441      95 -55.6066
      96 -56.1198      97 -57.9171      98 -58.0007      99 -56.2141     100 -55.9091
     101 -56.0431     102 -55.7178     103 -55.7866     104 -56.0001     105 -58.1051
     106 -58.1398     107 -56.4262     108 -55.1742     109 -54.9475     110 -55.3711
     111 -55.8806     112 -55.8284     113 -55.7615     114 -55.7435     115 -55.0533
     116 -54.8460     117 -55.0252     118 -56.3171     119 -60.4110     120 -60.6076
     121 -55.9723     122 -55.9878     123 -55.8664     124 -55.7871     125 -55.7868
     126 -56.2100     127 -58.0608     128 -58.1636     129 -56.1809     130 -55.8143
     131 -55.9130     132 -55.7246     133 -55.6466     134 -55.8264     135 -57.9038
     136 -58.0292     137 -56.3623     138 -55.0584     139 -54.9161     140 -55.3277
     141 -55.8701     142 -55.7978     143 -55.8848     144 -55.8586     145 -55.2053
     146 -55.1030     147 -55.2799     148 -56.4070     149 -60.5000     150 -60.5611
     151 -55.6597     152 -55.7358     153 -55.5887     154 -55.4411     155 -55.4724
     156 -55.9213     157 -57.9164     158 -57.8954     159 -56.0012     160 -55.7451
     161 -55.9109     162 -55.5457     163 -55.5633     164 -55.7788     165 -57.9166
     166 -58.0791     167 -56.3521     168 -55.0432     169 -54.8048     170 -55.1843
     171 -55.8351     172 -55.8645     173 -55.8680     174 -55.7949     175 -55.2899
     176 -55.0077     177 -55.1144     178 -56.4912     179 -60.4559     180 -60.5623
     181 -55.8184     182 -56.0567     183 -55.9310     184 -55.6088     185 -55.6449
     186 -56.2057     187 -57.9577     188 -58.2094     189 -56.2423     190 -55.8648
     191 -56.0066     192 -55.7336     193 -55.7100     194 -55.9073     195 -58.0063
     196 -58.1560     197 -56.5239     198 -55.0927     199 -54.9397     200 -55.3083
     201 -55.8455     202 -55.8568     203 -55.9040     204 -55.8665     205 -55.1196
     206 -55.2117     207 -55.2100     208 -56.4774     209 -60.6977     210 -60.5072
     211 -56.0014     212 -56.0416     213 -55.9334     214 -55.8253     215 -55.7802
     216 -56.2990     217 -58.1522     218 -58.1173     219 -56.1633     220 -55.8392
     221 -55.9417     222 -55.5827     223 -55.5282     224 -55.8214     225 -57.9396
     226 -58.1247     227 -56.4999     228 -55.0573     229 -54.9331     230 -55.2426
     231 -55.7615     232 -55.7704     233 -55.7235     234 -55.7348     235 -55.0242
     236 -55.0990     237 -55.2322     238 -56.4697     239 -60.3558     240 -60.4012
     241 -55.9991     242 -56.0361     243 -55.9143     244 -55.7803     245 -55.7759
     246 -56.2175     247 -58.0676     248 -58.1431     249 -56.2046     250 -55.8801
     251 -55.9807     252 -55.7583     253 -55.7549     254 -55.9340     255 -57.9855
     256 -58.0505     257 -56.3414     258 -55.0734     259 -54.8618     260 -55.2419
     261 -55.7804     262 -55.7711     263 -55.8545     264 -55.8949     265 -55.2654
     266 -54.9698     267 -55.1903     268 -56.3723     269 -60.5909     270 -60.3649
     271 -55.8774     272 -55.9427     273 -55.7983     274 -55.6782     275 -55.6240
     276 -56.0406     277 -58.0784     278 -58.0810     279 -55.9309     280 -55.6464
     281 -55.7564     282 -55.5072     283 -55.5391     284 -55.8004     285 -58.0008
     286 -57.9587     287 -56.3645     288 -55.0650     289 -54.8670     290 -55.1942
     291 -55.8210     292 -55.7804     293 -55.8400     294 -55.8395     295 -55.2032
     296 -54.9631     297 -55.0487     298 -56.4162     299 -60.5215     300 -60.5356
     301 -55.8800     302 -56.0264     303 -55.9325     304 -55.6519     305 -55.6785
     306 -56.2010     307 -58.0311     308 -58.2297     309 -56.2333     310 -55.9131
     311 -55.9897     312 -55.7047     313 -55.6916     314 -55.8777     315 -57.9595
     316 -58.0929     317 -56.3903     318 -55.0232     319 -54.8503     320 -55.2762
     321 -55.7822     322 -55.7497     323 -55.8730     324 -55.8843     325 -55.2108
     326 -55.0972     327 -55.2517     328 -56.4254     329 -60.5520     330 -60.4652
     331 -55.7127     332 -55.7544     333 -55.6304     334 -55.5478     335 -55.5316
     336 -55.9619     337 -57.9212     338 -57.9041     339 -55.8771     340 -55.6011
     341 -55.7183     342 -55.4646     343 -55.4793     344 -55.7097     345 -57.9343
     346 -57.9505     347 -56.4487     348 -55.0149     349 -54.9707     350 -55.2891
     351 -55.8012     352 -55.7507     353 -55.7478     354 -55.7457     355 -55.1886
     356 -54.9575     357 -55.0346     358 -56.4338     359 -60.4849     360 -60.5251
     361 -39.0487     362 -38.7798     363 -38.9197     364 -39.0023     365 -38.9336
     366 -38.7038     367 -38.1229     368 -38.0824     369 -38.1158     370 -38.1427
     371 -38.1336     372 -38.1954     373 -38.7065     374 -38.3404     375 -38.6916
     376 -38.8355     377 -38.7990     378 -38.7424     379 -38.1433     380 -38.1316
     381 -38.2843     382 -38.0066     383 -38.2417     384 -37.9510     385 -38.8787
     386 -38.8064     387 -38.9222     388 -38.8706     389 -38.8401     390 -38.5495
     391 -38.2510     392 -38.2508     393 -38.2215     394 -38.2555     395 -38.1679
     396 -38.3178     397 -38.7369     398 -38.4824     399 -38.7929     400 -38.8822
     401 -38.7948     402 -38.7675     403 -38.1857     404 -38.1604     405 -38.4345
     406 -37.9881     407 -38.0640     408 -37.9382     409 -38.7768     410 -38.7859
     411 -38.9465     412 -38.7294     413 -38.9260     414 -38.6565     415 -38.2125
     416 -38.2744     417 -38.2732     418 -38.2544     419 -38.2538     420 -38.3441
     421 -38.6164     422 -38.3491     423 -38.5743     424 -38.7538     425 -38.5665
     426 -38.5651     427 -38.2502     428 -38.0118     429 -38.2935     430 -38.2405
     431 -38.1313     432 -38.0388     433 -38.7509     434 -38.6392     435 -38.8973
     436 -38.6933     437 -38.9176     438 -38.6801     439 -38.3449     440 -38.1163
     441 -38.1833     442 -38.1638     443 -38.1680     444 -38.1143     445 -38.8441
     446 -38.8564     447 -38.9732     448 -38.6987     449 -38.7840     450 -38.3688
     451 -38.0574     452 -37.9489     453 -38.1403     454 -37.9780     455 -38.1598
     456 -38.2158     457 -38.9577     458 -38.7244     459 -38.8821     460 -38.9061
     461 -38.8717     462 -38.7152     463 -38.1632     464 -38.2389     465 -38.1888
     466 -38.3733     467 -38.1643     468 -38.3630     469 -38.8700     470 -38.6572
     471 -38.7343     472 -38.8059     473 -38.5974     474 -38.5086     475 -38.2971
     476 -38.0503     477 -38.2380     478 -38.1951     479 -38.1652     480 -37.9399
     481 -38.8876     482 -38.7261     483 -38.9288     484 -38.8530     485 -38.9362
     486 -38.7421     487 -38.1378     488 -38.2085     489 -38.3015     490 -38.3506
     491 -38.2321     492 -38.3590     493 -38.7977     494 -38.5174     495 -38.6190
     496 -38.8089     497 -38.4863     498 -38.4745     499 -38.1747     500 -37.9600
     501 -38.2941     502 -38.1508     503 -38.1189     504 -38.0060     505 -38.2600
     506 -41.0859     507 -71.6615     508 -71.6338     509 -71.3375     510 -71.5924
     511 -71.5548     512 -71.5209     513 -71.4121     514 -71.5440     515 -71.5572
     516 -71.4502     517 -71.4374     518 -71.4553     519 -71.5403     520 -71.6204
     521 -71.5375     522 -71.5034     523 -71.5399     524 -71.4801     525 -71.5522
     526 -71.4112     527 -71.6390     528 -71.5314     529 -71.2130     530 -71.4070
     531 -76.8680     532 -76.7372     533 -76.7508     534 -76.7113     535 -76.6074
     536 -76.4483     537 -76.8005     538 -76.7035     539 -76.7306     540 -76.6606
     541 -76.7151     542 -76.6556     543 -76.6395     544 -76.6062     545 -76.7828
     546 -76.7270     547 -76.8179     548 -76.7026     549 -76.6742     550 -76.5417
     551 -76.5149     552 -76.5909     553 -76.7477     554 -76.5885     555 -76.7842
     556 -76.6771     557 -76.7841     558 -76.6452     559 -76.7232     560 -76.8442
     561 -76.7662     562 -76.5479     563 -76.7805     564 -76.7079     565 -76.7138
     566 -76.5975     567 -76.7053     568 -76.7596     569 -76.7090     570 -76.6330
     571 -76.8677     572 -76.6983     573 -76.7351     574 -76.6086     575 -76.5195
     576 -76.5496     577 -76.6993     578 -76.6695     579 -82.3192     580 -82.2669
     581 -82.3400     582 -82.3602     583 -82.3059     584 -82.2481     585 -82.4783
     586 -82.5327     587 -82.5501     588 -82.2300     589 -82.1807     590 -82.2481
     591 -82.3276     592 -82.1984     593 -82.3171     594 -82.6830     595 -82.5378
     596 -82.5125     597 -82.5250     598 -82.4713     599 -82.5988     600 -82.2834
     601 -82.0949     602 -82.3215     603 -82.4817     604 -82.4510     605 -82.4461
     606 -82.4725     607 -82.2805     608 -82.3545     609 -82.7179     610 -82.3032
     611 -82.3083     612 -82.4413     613 -82.3690     614 -82.2209     615 -82.6561
     616 -82.4419     617 -82.4193     618 -82.6122     619 -82.7281     620 -82.6629
     621 -82.1729     622 -82.3794     623 -82.3201     624 -82.1988     625 -82.2662
     626 -82.3066     627 -82.1846     628 -82.2603     629 -82.3289     630 -82.4342
     631 -82.5904     632 -82.3714     633 -82.4616     634 -82.4351     635 -82.4642
     636 -82.4147     637 -82.4137     638 -82.3392     639 -82.2679     640 -82.4745
     641 -82.4528     642 -82.3685     643 -82.5129     644 -82.4046     645 -82.4491
     646 -82.3939     647 -82.5003     648 -82.3735     649 -82.4113     650 -82.3270
 
 
 
 E-fermi :  -1.4823     XC(G=0):  -6.5317     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.0811      2.00000
      2     -28.9354      2.00000
      3     -28.9192      2.00000
      4     -28.8848      2.00000
      5     -28.8769      2.00000
      6     -28.8433      2.00000
      7     -28.8331      2.00000
      8     -28.8261      2.00000
      9     -28.8017      2.00000
     10     -28.7660      2.00000
     11     -28.7512      2.00000
     12     -28.7366      2.00000
     13     -28.7355      2.00000
     14     -28.7297      2.00000
     15     -28.7280      2.00000
     16     -28.6994      2.00000
     17     -28.6664      2.00000
     18     -28.6607      2.00000
     19     -28.6578      2.00000
     20     -28.5954      2.00000
     21     -28.5886      2.00000
     22     -28.5844      2.00000
     23     -28.5671      2.00000
     24     -28.5295      2.00000
     25     -26.7664      2.00000
     26     -26.7411      2.00000
     27     -26.6631      2.00000
     28     -26.6451      2.00000
     29     -26.6167      2.00000
     30     -26.5772      2.00000
     31     -26.5763      2.00000
     32     -26.5654      2.00000
     33     -26.5557      2.00000
     34     -26.5550      2.00000
     35     -26.5532      2.00000
     36     -26.5504      2.00000
     37     -26.5471      2.00000
     38     -26.5261      2.00000
     39     -26.5208      2.00000
     40     -26.5154      2.00000
     41     -26.5140      2.00000
     42     -26.5016      2.00000
     43     -26.4994      2.00000
     44     -26.4765      2.00000
     45     -26.4590      2.00000
     46     -26.4528      2.00000
     47     -26.4454      2.00000
     48     -26.4330      2.00000
     49     -26.4231      2.00000
     50     -26.4172      2.00000
     51     -26.4103      2.00000
     52     -26.4083      2.00000
     53     -26.3915      2.00000
     54     -26.3906      2.00000
     55     -26.3853      2.00000
     56     -26.3646      2.00000
     57     -26.3484      2.00000
     58     -26.3454      2.00000
     59     -26.3361      2.00000
     60     -26.3305      2.00000
     61     -26.3218      2.00000
     62     -26.3157      2.00000
     63     -26.3058      2.00000
     64     -26.3035      2.00000
     65     -26.3012      2.00000
     66     -26.2929      2.00000
     67     -26.2813      2.00000
     68     -26.2756      2.00000
     69     -26.2430      2.00000
     70     -26.2379      2.00000
     71     -26.2262      2.00000
     72     -26.1452      2.00000
     73     -23.2397      2.00000
     74     -23.2154      2.00000
     75     -23.1540      2.00000
     76     -23.1389      2.00000
     77     -23.1261      2.00000
     78     -23.1244      2.00000
     79     -23.1213      2.00000
     80     -23.1176      2.00000
     81     -23.0945      2.00000
     82     -23.0918      2.00000
     83     -23.0917      2.00000
     84     -23.0909      2.00000
     85     -23.0557      2.00000
     86     -23.0493      2.00000
     87     -23.0423      2.00000
     88     -23.0377      2.00000
     89     -23.0373      2.00000
     90     -23.0069      2.00000
     91     -23.0040      2.00000
     92     -22.9811      2.00000
     93     -22.9538      2.00000
     94     -22.9327      2.00000
     95     -22.9152      2.00000
     96     -22.9001      2.00000
     97     -22.8472      2.00000
     98     -22.7389      2.00000
     99     -22.7042      2.00000
    100     -22.6924      2.00000
    101     -22.6754      2.00000
    102     -22.6713      2.00000
    103     -22.6681      2.00000
    104     -22.6645      2.00000
    105     -22.6535      2.00000
    106     -22.6460      2.00000
    107     -22.6457      2.00000
    108     -22.6334      2.00000
    109     -22.6090      2.00000
    110     -22.5754      2.00000
    111     -22.5724      2.00000
    112     -22.5693      2.00000
    113     -22.5673      2.00000
    114     -22.5602      2.00000
    115     -22.5479      2.00000
    116     -22.5180      2.00000
    117     -22.5133      2.00000
    118     -22.4813      2.00000
    119     -22.4493      2.00000
    120     -22.4357      2.00000
    121     -20.4309      2.00000
    122     -20.4108      2.00000
    123     -20.3868      2.00000
    124     -20.3586      2.00000
    125     -20.3510      2.00000
    126     -20.3386      2.00000
    127     -20.3349      2.00000
    128     -20.3198      2.00000
    129     -20.3109      2.00000
    130     -20.3043      2.00000
    131     -20.2876      2.00000
    132     -20.2726      2.00000
    133     -20.2688      2.00000
    134     -20.2505      2.00000
    135     -20.2463      2.00000
    136     -20.2395      2.00000
    137     -20.2287      2.00000
    138     -20.2100      2.00000
    139     -20.1901      2.00000
    140     -20.1854      2.00000
    141     -20.1267      2.00000
    142     -20.1090      2.00000
    143     -20.0862      2.00000
    144     -20.0841      2.00000
    145     -18.6597      2.00000
    146     -18.5594      2.00000
    147     -18.5573      2.00000
    148     -18.5561      2.00000
    149     -18.4879      2.00000
    150     -18.4812      2.00000
    151     -18.4807      2.00000
    152     -18.4775      2.00000
    153     -18.4555      2.00000
    154     -18.4213      2.00000
    155     -18.3962      2.00000
    156     -18.3929      2.00000
    157     -18.3414      2.00000
    158     -18.2877      2.00000
    159     -18.2590      2.00000
    160     -18.2470      2.00000
    161     -18.2245      2.00000
    162     -18.2212      2.00000
    163     -18.2071      2.00000
    164     -18.1944      2.00000
    165     -18.1600      2.00000
    166     -18.1444      2.00000
    167     -18.1214      2.00000
    168     -18.0770      2.00000
    169     -17.9435      2.00000
    170     -17.9293      2.00000
    171     -17.9176      2.00000
    172     -17.8905      2.00000
    173     -17.8725      2.00000
    174     -17.8536      2.00000
    175     -17.8382      2.00000
    176     -17.8312      2.00000
    177     -17.8138      2.00000
    178     -17.7782      2.00000
    179     -17.7608      2.00000
    180     -17.7518      2.00000
    181     -17.6014      2.00000
    182     -17.5903      2.00000
    183     -17.5577      2.00000
    184     -17.5283      2.00000
    185     -17.5261      2.00000
    186     -17.5177      2.00000
    187     -17.5036      2.00000
    188     -17.4963      2.00000
    189     -17.4869      2.00000
    190     -17.4660      2.00000
    191     -17.4488      2.00000
    192     -17.4466      2.00000
    193     -16.7540      2.00000
    194     -16.7217      2.00000
    195     -16.7025      2.00000
    196     -16.6906      2.00000
    197     -16.6645      2.00000
    198     -16.6399      2.00000
    199     -16.5888      2.00000
    200     -16.5842      2.00000
    201     -16.5522      2.00000
    202     -16.5271      2.00000
    203     -16.4957      2.00000
    204     -16.4813      2.00000
    205     -16.1607      2.00000
    206     -16.1566      2.00000
    207     -16.1476      2.00000
    208     -16.1186      2.00000
    209     -16.0800      2.00000
    210     -16.0574      2.00000
    211     -16.0092      2.00000
    212     -15.9834      2.00000
    213     -15.9570      2.00000
    214     -15.9207      2.00000
    215     -15.9048      2.00000
    216     -15.7837      2.00000
    217     -15.7531      2.00000
    218     -15.6844      2.00000
    219     -15.6521      2.00000
    220     -15.6459      2.00000
    221     -15.6274      2.00000
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    224     -15.5855      2.00000
    225     -15.5827      2.00000
    226     -15.5667      2.00000
    227     -15.5265      2.00000
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    229     -15.4576      2.00000
    230     -15.4429      2.00000
    231     -15.4379      2.00000
    232     -15.4349      2.00000
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    235     -15.4122      2.00000
    236     -15.4057      2.00000
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    238     -15.3961      2.00000
    239     -15.3894      2.00000
    240     -15.3782      2.00000
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    250     -15.2877      2.00000
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    256     -15.2340      2.00000
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    263     -15.1717      2.00000
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    265     -15.1362      2.00000
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    268     -15.1052      2.00000
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    276     -14.8840      2.00000
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    290     -13.5064      2.00000
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    300     -13.3721      2.00000
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   1484       5.4364      0.00000
   1485       5.4420      0.00000
   1486       5.4480      0.00000
   1487       5.4542      0.00000
   1488       5.4669      0.00000
   1489       5.4752      0.00000
   1490       5.4857      0.00000
   1491       5.4970      0.00000
   1492       5.5051      0.00000
   1493       5.5139      0.00000
   1494       5.5220      0.00000
   1495       5.5246      0.00000
   1496       5.5298      0.00000
   1497       5.5366      0.00000
   1498       5.5493      0.00000
   1499       5.5523      0.00000
   1500       5.5601      0.00000
   1501       5.5753      0.00000
   1502       5.5830      0.00000
   1503       5.5970      0.00000
   1504       5.6085      0.00000
   1505       5.6140      0.00000
   1506       5.6207      0.00000
   1507       5.6294      0.00000
   1508       5.6333      0.00000
   1509       5.6363      0.00000
   1510       5.6436      0.00000
   1511       5.6550      0.00000
   1512       5.6567      0.00000
   1513       5.6739      0.00000
   1514       5.6805      0.00000
   1515       5.6966      0.00000
   1516       5.7173      0.00000
   1517       5.7178      0.00000
   1518       5.7262      0.00000
   1519       5.7337      0.00000
   1520       5.7397      0.00000
   1521       5.7512      0.00000
   1522       5.7575      0.00000
   1523       5.7703      0.00000
   1524       5.7854      0.00000
   1525       5.7958      0.00000
   1526       5.7965      0.00000
   1527       5.8114      0.00000
   1528       5.8183      0.00000
   1529       5.8333      0.00000
   1530       5.8346      0.00000
   1531       5.8466      0.00000
   1532       5.8560      0.00000
   1533       5.8689      0.00000
   1534       5.8714      0.00000
   1535       5.8843      0.00000
   1536       5.8952      0.00000
   1537       5.9024      0.00000
   1538       5.9086      0.00000
   1539       5.9222      0.00000
   1540       5.9302      0.00000
   1541       5.9488      0.00000
   1542       5.9567      0.00000
   1543       5.9682      0.00000
   1544       5.9773      0.00000
   1545       5.9815      0.00000
   1546       5.9864      0.00000
   1547       5.9952      0.00000
   1548       6.0072      0.00000
   1549       6.0255      0.00000
   1550       6.0326      0.00000
   1551       6.0331      0.00000
   1552       6.0402      0.00000
   1553       6.0452      0.00000
   1554       6.0581      0.00000
   1555       6.0677      0.00000
   1556       6.0742      0.00000
   1557       6.0830      0.00000
   1558       6.1005      0.00000
   1559       6.1034      0.00000
   1560       6.1137      0.00000
   1561       6.1216      0.00000
   1562       6.1279      0.00000
   1563       6.1406      0.00000
   1564       6.1508      0.00000
   1565       6.1540      0.00000
   1566       6.1671      0.00000
   1567       6.1780      0.00000
   1568       6.1889      0.00000
   1569       6.1976      0.00000
   1570       6.2031      0.00000
   1571       6.2170      0.00000
   1572       6.2180      0.00000
   1573       6.2234      0.00000
   1574       6.2283      0.00000
   1575       6.2382      0.00000
   1576       6.2563      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.088  13.412  -0.001   0.001  -0.000   0.002  -0.005   0.001
 13.412  17.831  -0.001   0.002  -0.000   0.002  -0.006   0.001
 -0.001  -0.001  -4.233   0.003   0.001   8.279  -0.004  -0.001
  0.001   0.002   0.003  -4.233   0.001  -0.004   8.279  -0.001
 -0.000  -0.000   0.001   0.001  -4.226  -0.001  -0.001   8.270
  0.002   0.002   8.279  -0.004  -0.001 -18.323   0.007   0.001
 -0.005  -0.006  -0.004   8.279  -0.001   0.007 -18.320   0.000
  0.001   0.001  -0.001  -0.001   8.270   0.001   0.000 -18.313
 total augmentation occupancy for first ion, spin component:           1
  8.454  -3.807   0.184   0.145  -0.070   0.023   0.027  -0.011
 -3.807   1.787  -0.093  -0.099   0.043  -0.010  -0.016   0.006
  0.184  -0.093   1.772  -0.062  -0.037   0.168  -0.012  -0.007
  0.145  -0.099  -0.062   1.903  -0.096  -0.012   0.178  -0.013
 -0.070   0.043  -0.037  -0.096   1.230  -0.007  -0.013   0.081
  0.023  -0.010   0.168  -0.012  -0.007   0.017  -0.002  -0.001
  0.027  -0.016  -0.012   0.178  -0.013  -0.002   0.018  -0.002
 -0.011   0.006  -0.007  -0.013   0.081  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -49177.45529 84766.55579 19501.40489 -9488.15220  6124.31728 18042.04746
  Hartree  6594.12166111723.54033 57305.81888 -9934.60670  4093.38034 12254.40905
  E(xc)  -10735.36280-10587.45916-10629.36781     2.77531     8.32010    33.82716
  Local    9150.03384************************ 19421.81394-10234.90713-29679.13277
  n-local -5841.20367 -5981.37732 -6036.48376     5.38561    16.29298   -67.44677
  augment  1493.69992  1535.09138  1487.12439     4.37724    12.34769    -4.12235
  Kinetic 45482.81180 43257.13019 43655.48465   -34.76860   -69.68911  -585.93331
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -125.4958254   -393.6865860   -154.5174325    -23.1753986    -49.9378499     -6.3515214
  in kB      -20.9274334    -65.6503894    -25.7670187     -3.8646832     -8.3275362     -1.0591670
  external PRESSURE =     -37.4482805 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.222E+03 -.103E+03 0.240E+03   0.223E+03 0.104E+03 -.242E+03   -.308E+00 -.732E+00 0.151E+01   0.230E-02 0.642E-03 0.861E-03
   -.178E+03 -.131E+03 0.575E+02   0.177E+03 0.132E+03 -.571E+02   0.256E+00 -.118E+01 -.270E+00   0.168E-02 0.121E-02 0.153E-02
   -.146E+03 -.122E+03 0.496E+01   0.145E+03 0.123E+03 -.335E+01   0.332E+00 -.114E+01 -.166E+01   0.199E-02 0.971E-03 0.180E-02
   -.205E+03 -.906E+02 0.328E+03   0.205E+03 0.907E+02 -.330E+03   -.201E+00 -.371E-01 0.253E+01   0.359E-02 -.798E-04 0.156E-02
   -.155E+03 -.143E+03 0.292E+03   0.155E+03 0.144E+03 -.293E+03   0.152E+00 -.859E+00 0.974E+00   0.393E-02 0.388E-03 0.238E-02
   -.132E+03 -.108E+03 0.167E+03   0.131E+03 0.108E+03 -.167E+03   0.123E+00 -.201E+00 0.129E+00   0.273E-02 0.111E-02 0.219E-02
   -.222E+03 -.131E+03 0.170E+03   0.221E+03 0.135E+03 -.171E+03   0.465E+00 -.455E+01 0.980E+00   0.179E-02 0.829E-03 -.465E-03
   -.175E+03 -.101E+03 0.312E+02   0.175E+03 0.105E+03 -.332E+02   -.526E+00 -.405E+01 0.208E+01   0.539E-03 0.168E-02 0.175E-02
   -.922E+02 0.364E+01 0.194E+03   0.921E+02 -.364E+01 -.194E+03   0.121E+00 -.179E-01 0.160E+00   0.255E-02 0.156E-02 0.172E-02
   -.746E+02 0.886E+02 0.602E+02   0.743E+02 -.902E+02 -.591E+02   0.362E+00 0.158E+01 -.115E+01   0.234E-02 0.588E-03 0.118E-02
   -.757E+02 0.102E+03 0.129E+03   0.754E+02 -.104E+03 -.129E+03   0.343E+00 0.107E+01 0.679E-01   0.249E-02 -.272E-03 0.412E-03
   -.918E+02 -.527E+01 0.326E+03   0.919E+02 0.495E+01 -.327E+03   -.313E-01 0.361E+00 0.116E+01   0.264E-02 0.235E-02 0.103E-02
   -.998E+02 -.490E+02 0.354E+03   0.100E+03 0.500E+02 -.356E+03   -.181E+00 -.921E+00 0.234E+01   0.216E-02 0.188E-02 -.522E-03
   -.996E+02 0.152E+02 0.295E+03   0.997E+02 -.152E+02 -.297E+03   -.124E+00 0.599E-01 0.164E+01   0.247E-02 0.343E-03 -.493E-03
   -.908E+02 0.981E+02 0.260E+03   0.902E+02 -.102E+03 -.263E+03   0.749E+00 0.385E+01 0.241E+01   0.293E-02 -.105E-02 -.107E-02
   -.719E+02 0.113E+03 0.966E+02   0.718E+02 -.116E+03 -.998E+02   0.189E+00 0.302E+01 0.355E+01   0.269E-02 -.163E-02 0.129E-02
   -.584E+02 0.977E+02 0.446E+02   0.588E+02 -.931E+02 -.403E+02   -.553E+00 -.475E+01 -.431E+01   0.359E-02 -.201E-02 -.951E-04
   0.838E+01 0.199E+03 -.153E+03   -.892E+01 -.201E+03 0.156E+03   0.569E+00 0.199E+01 -.202E+01   0.344E-02 -.235E-02 0.103E-02
   0.376E+02 0.153E+03 -.198E+03   -.380E+02 -.153E+03 0.199E+03   0.373E+00 0.223E+00 -.196E+01   0.364E-02 -.212E-02 0.948E-03
   -.619E+02 0.979E+02 0.176E+03   0.630E+02 -.970E+02 -.179E+03   -.121E+01 -.904E+00 0.340E+01   0.408E-02 -.121E-02 -.749E-03
   0.727E+01 0.616E+02 0.357E+01   -.850E+01 -.631E+02 -.214E+01   0.110E+01 0.154E+01 -.114E+01   0.400E-02 -.108E-02 -.179E-03
   0.235E+02 0.106E+02 -.120E+03   -.236E+02 -.109E+02 0.121E+03   0.522E-01 0.183E+00 -.859E+00   0.351E-02 -.952E-03 0.807E-03
   -.973E+01 -.404E+02 -.169E+03   0.102E+02 0.407E+02 0.169E+03   -.397E+00 -.178E+00 0.563E+00   0.279E-02 -.374E-03 0.121E-02
   -.252E+02 -.806E+02 -.225E+03   0.263E+02 0.822E+02 0.224E+03   -.112E+01 -.182E+01 0.955E+00   0.195E-02 0.523E-03 0.178E-02
   -.364E+01 -.161E+03 -.326E+03   0.302E+01 0.161E+03 0.328E+03   0.590E+00 -.849E+00 -.173E+01   0.963E-03 0.111E-02 0.218E-02
   -.909E+02 -.161E+03 -.152E+03   0.922E+02 0.161E+03 0.150E+03   -.121E+01 -.217E+00 0.165E+01   0.308E-02 -.218E-03 0.138E-02
   -.867E+02 -.271E+03 -.183E+03   0.873E+02 0.272E+03 0.182E+03   -.517E+00 -.853E+00 0.215E+00   0.246E-02 0.557E-03 0.199E-02
   -.316E+02 -.262E+03 -.276E+03   0.316E+02 0.263E+03 0.277E+03   0.996E-01 -.125E+01 -.413E+00   0.169E-02 0.140E-02 0.244E-02
   -.427E+02 -.280E+02 -.214E+03   0.487E+02 0.360E+02 0.210E+03   -.594E+01 -.797E+01 0.470E+01   0.180E-02 -.260E-03 0.208E-02
   -.173E+01 0.497E+02 0.193E+02   -.278E+01 -.583E+02 -.142E+02   0.451E+01 0.859E+01 -.498E+01   0.430E-02 -.142E-02 0.195E-03
   -.176E+03 -.189E+02 -.501E+02   0.176E+03 0.190E+02 0.517E+02   -.287E+00 -.227E+00 -.170E+01   -.131E-02 -.670E-03 0.109E-02
   -.113E+03 -.139E+03 0.134E+03   0.113E+03 0.140E+03 -.134E+03   0.107E+00 -.130E+01 -.223E+00   -.124E-02 -.241E-04 0.118E-02
   -.121E+03 -.154E+03 0.191E+03   0.120E+03 0.155E+03 -.192E+03   0.426E+00 -.173E+01 0.117E+01   -.852E-03 0.563E-03 0.526E-03
   -.274E+03 0.154E+02 -.178E+03   0.274E+03 -.167E+02 0.181E+03   -.175E+00 0.136E+01 -.262E+01   0.246E-04 -.699E-03 0.595E-03
   -.272E+03 -.570E+02 -.186E+03   0.272E+03 0.571E+02 0.187E+03   -.205E+00 -.300E+00 -.110E+01   0.117E-02 -.484E-04 0.308E-03
   -.186E+03 -.709E+02 0.855E+01   0.186E+03 0.708E+02 -.862E+01   0.417E+00 0.113E+00 0.177E-01   0.283E-03 0.172E-03 0.188E-03
   -.921E+02 -.517E+02 -.218E+02   0.929E+02 0.556E+02 0.245E+02   -.883E+00 -.405E+01 -.257E+01   -.272E-02 -.710E-03 0.149E-02
   -.620E+02 -.132E+03 0.104E+03   0.620E+02 0.135E+03 -.100E+03   -.827E-01 -.304E+01 -.363E+01   -.215E-02 -.717E-03 0.143E-02
   -.162E+03 0.492E+02 0.125E+02   0.162E+03 -.495E+02 -.126E+02   0.113E+00 0.240E+00 0.137E+00   0.560E-03 -.280E-04 -.340E-03
   -.819E+02 0.510E+02 0.215E+03   0.817E+02 -.520E+02 -.217E+03   0.304E+00 0.114E+01 0.183E+01   -.254E-03 -.245E-03 -.109E-02
   -.559E+02 0.719E+02 0.130E+03   0.558E+02 -.733E+02 -.130E+03   0.179E+00 0.132E+01 0.251E+00   -.290E-03 -.179E-02 -.126E-02
   -.200E+03 0.968E+02 -.213E+03   0.200E+03 -.978E+02 0.213E+03   -.159E+00 0.944E+00 -.738E+00   0.156E-02 -.380E-03 0.243E-03
   -.168E+03 0.503E+02 -.286E+03   0.168E+03 -.505E+02 0.289E+03   -.615E-01 0.315E+00 -.227E+01   0.133E-02 -.142E-02 0.427E-03
   -.983E+02 0.562E+02 -.136E+03   0.986E+02 -.571E+02 0.137E+03   -.315E+00 0.910E+00 -.147E+01   0.203E-03 -.197E-02 -.154E-03
   -.497E+02 0.976E+02 -.710E+02   0.497E+02 -.102E+03 0.718E+02   -.620E-01 0.479E+01 -.504E+00   -.391E-03 -.273E-02 -.195E-03
   -.163E+02 0.776E+02 0.141E+03   0.159E+02 -.820E+02 -.139E+03   0.262E+00 0.436E+01 -.196E+01   -.554E-03 -.260E-02 -.294E-02
   0.282E+02 0.435E+02 0.108E+03   -.265E+02 -.379E+02 -.110E+03   -.161E+01 -.575E+01 0.186E+01   0.580E-04 -.167E-02 -.971E-03
   -.166E+02 0.130E+03 0.266E+03   0.176E+02 -.131E+03 -.269E+03   -.906E+00 0.113E+01 0.255E+01   0.152E-02 -.183E-02 -.278E-02
   -.351E+02 0.119E+03 0.223E+03   0.361E+02 -.118E+03 -.225E+03   -.107E+01 -.487E+00 0.203E+01   0.176E-02 -.208E-02 -.239E-02
   0.578E+02 0.649E+02 -.327E+02   -.591E+02 -.650E+02 0.356E+02   0.147E+01 0.254E+00 -.294E+01   -.924E-03 0.556E-03 0.132E-02
   0.142E+02 0.239E+02 0.390E+02   -.137E+02 -.250E+02 -.410E+02   -.449E+00 0.113E+01 0.204E+01   -.753E-03 0.759E-03 0.206E-02
   -.165E+02 0.724E+01 0.842E+02   0.170E+02 -.698E+01 -.852E+02   -.386E+00 -.283E+00 0.776E+00   0.666E-03 -.218E-03 -.167E-03
   -.700E+02 -.725E+00 0.320E+02   0.699E+02 0.625E+00 -.314E+02   0.141E+00 0.835E-01 -.518E+00   0.800E-03 0.612E-04 -.370E-03
   -.136E+03 -.126E+02 0.754E+02   0.135E+03 0.135E+02 -.739E+02   0.895E+00 -.800E+00 -.162E+01   0.214E-02 -.911E-03 -.236E-02
   -.223E+03 -.671E+02 0.140E+03   0.225E+03 0.671E+02 -.143E+03   -.177E+01 -.915E-01 0.320E+01   0.121E-02 -.111E-02 -.182E-02
   -.705E+02 -.104E+03 -.113E+03   0.698E+02 0.104E+03 0.115E+03   0.641E+00 0.483E+00 -.171E+01   -.977E-03 0.243E-02 0.231E-02
   -.973E+02 -.109E+03 -.163E+03   0.965E+02 0.111E+03 0.165E+03   0.890E+00 -.131E+01 -.289E+01   -.135E-02 0.164E-02 0.270E-02
   -.163E+03 -.444E+02 0.155E+02   0.162E+03 0.385E+02 -.134E+02   0.128E+01 0.622E+01 -.199E+01   -.538E-04 0.120E-02 0.859E-03
   -.168E+03 0.170E+02 0.123E+03   0.164E+03 -.111E+02 -.114E+03   0.369E+01 -.593E+01 -.809E+01   0.386E-02 -.204E-02 -.209E-02
   -.380E+02 -.456E+01 -.301E+02   0.393E+02 -.205E+01 0.214E+02   -.127E+01 0.653E+01 0.888E+01   -.115E-02 0.234E-02 0.170E-02
   -.338E+03 -.707E+02 0.836E+02   0.338E+03 0.712E+02 -.849E+02   -.357E+00 -.848E+00 0.137E+01   0.117E-02 0.375E-02 -.736E-03
   -.331E+03 -.986E+02 -.824E+02   0.331E+03 0.998E+02 0.830E+02   0.923E-01 -.140E+01 -.332E+00   0.603E-03 0.407E-02 -.247E-02
   -.300E+03 -.918E+02 -.135E+03   0.300E+03 0.931E+02 0.137E+03   0.424E-01 -.971E+00 -.173E+01   0.110E-02 0.382E-02 -.207E-02
   -.279E+03 -.574E+02 0.174E+03   0.279E+03 0.574E+02 -.176E+03   -.254E-01 -.119E+00 0.240E+01   0.209E-02 0.334E-02 0.227E-03
   -.230E+03 -.105E+03 0.131E+03   0.230E+03 0.106E+03 -.132E+03   0.121E+00 -.879E+00 0.830E+00   0.213E-02 0.233E-02 0.318E-03
   -.251E+03 -.716E+02 -.189E+01   0.251E+03 0.715E+02 0.216E+01   -.315E-01 -.168E+00 -.141E-01   0.158E-02 0.235E-02 -.519E-03
   -.354E+03 -.108E+03 0.164E+02   0.354E+03 0.112E+03 -.174E+02   -.109E-02 -.461E+01 0.605E+00   0.534E-03 0.374E-02 0.342E-03
   -.335E+03 -.925E+02 -.504E+02   0.336E+03 0.964E+02 0.490E+02   -.614E+00 -.411E+01 0.218E+01   -.632E-03 0.320E-02 -.325E-02
   -.212E+03 0.396E+02 0.156E+02   0.212E+03 -.395E+02 -.155E+02   0.424E-01 0.171E+00 -.858E-01   0.131E-02 0.297E-03 0.284E-05
   -.241E+03 0.117E+03 -.840E+02   0.241E+03 -.118E+03 0.852E+02   -.601E-02 0.148E+01 -.126E+01   0.147E-02 -.470E-03 -.381E-03
   -.231E+03 0.125E+03 -.496E+01   0.231E+03 -.126E+03 0.488E+01   0.158E+00 0.125E+01 0.153E+00   0.131E-02 -.193E-02 -.546E-03
   -.155E+03 0.389E+02 0.130E+03   0.155E+03 -.393E+02 -.131E+03   -.749E-02 0.458E+00 0.102E+01   0.784E-03 -.118E-02 0.840E-03
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   0.621E+03 -.191E+03 -.390E+03   -.619E+03 0.207E+03 0.441E+03   -.212E+01 -.162E+02 -.516E+02   -.245E-02 0.229E-02 -.284E-02
   0.494E+03 -.386E+03 -.344E+02   -.490E+03 0.427E+03 0.405E+01   -.362E+01 -.411E+02 0.303E+02   -.183E-02 0.804E-03 -.669E-02
   0.922E+03 0.148E+03 -.103E+03   -.973E+03 -.163E+03 0.955E+02   0.509E+02 0.144E+02 0.782E+01   -.437E-02 -.467E-03 -.422E-02
   -.468E+03 -.175E+02 -.328E+03   0.502E+03 0.241E+02 0.369E+03   -.332E+02 -.650E+01 -.406E+02   0.905E-03 -.351E-03 -.149E-02
   -.410E+02 0.484E+03 -.627E+02   0.313E+02 -.536E+03 0.688E+02   0.960E+01 0.521E+02 -.600E+01   0.761E-03 -.175E-02 -.626E-03
   -.258E+03 -.506E+02 0.207E+03   0.285E+03 0.550E+02 -.252E+03   -.263E+02 -.436E+01 0.454E+02   -.928E-03 -.534E-03 -.507E-03
   -.265E+03 -.357E+03 0.395E+02   0.274E+03 0.394E+03 -.760E+02   -.890E+01 -.374E+02 0.365E+02   -.314E-02 -.190E-02 -.349E-02
   0.241E+02 -.383E+03 -.318E+03   -.331E+02 0.407E+03 0.364E+03   0.915E+01 -.237E+02 -.456E+02   -.834E-03 -.465E-02 -.520E-02
   -.464E+03 -.174E+02 -.116E+02   0.510E+03 -.552E+01 0.200E+02   -.462E+02 0.230E+02 -.849E+01   -.526E-03 0.137E-03 -.302E-02
   0.854E+03 -.792E+02 -.185E+03   -.901E+03 0.102E+03 0.170E+03   0.468E+02 -.225E+02 0.145E+02   -.184E-02 -.263E-02 0.368E-05
   0.457E+03 0.358E+03 0.482E+02   -.448E+03 -.384E+03 -.910E+02   -.950E+01 0.268E+02 0.429E+02   -.804E-03 0.143E-02 -.481E-03
   0.691E+03 0.291E+03 -.395E+03   -.703E+03 -.325E+03 0.435E+03   0.123E+02 0.343E+02 -.391E+02   -.172E-02 -.147E-03 -.772E-03
   0.382E+03 -.841E+02 -.608E+03   -.415E+03 0.981E+02 0.646E+03   0.322E+02 -.139E+02 -.375E+02   0.420E-02 -.251E-02 0.172E-02
   -.128E+02 -.386E+03 -.861E+02   0.443E+02 0.427E+03 0.738E+02   -.315E+02 -.413E+02 0.121E+02   0.128E-02 -.277E-02 0.157E-02
   0.235E+03 0.139E+03 0.163E+03   -.264E+03 -.144E+03 -.208E+03   0.296E+02 0.536E+01 0.452E+02   0.538E-02 -.300E-02 0.109E-02
   -.253E+03 -.193E+03 -.376E+03   0.293E+03 0.200E+03 0.410E+03   -.402E+02 -.685E+01 -.346E+02   -.297E-02 -.256E-02 -.217E-02
   0.214E+03 0.330E+03 -.234E+03   -.226E+03 -.379E+03 0.248E+03   0.125E+02 0.492E+02 -.136E+02   -.749E-03 0.491E-03 0.953E-03
   -.689E+02 -.967E+02 0.143E+03   0.905E+02 0.927E+02 -.191E+03   -.215E+02 0.417E+01 0.480E+02   -.155E-02 -.727E-03 0.260E-02
   -.196E+03 -.433E+03 0.361E+03   0.214E+03 0.470E+03 -.395E+03   -.182E+02 -.363E+02 0.342E+02   0.912E-03 -.264E-02 0.505E-05
   0.114E+03 -.434E+03 -.235E+03   -.130E+03 0.459E+03 0.276E+03   0.156E+02 -.244E+02 -.416E+02   0.337E-03 -.526E-02 0.381E-02
   -.294E+03 -.965E+02 0.606E+02   0.337E+03 0.696E+02 -.436E+02   -.430E+02 0.270E+02 -.172E+02   0.197E-02 -.269E-02 0.225E-02
   0.122E+03 -.245E+03 0.772E+03   -.138E+03 0.276E+03 -.813E+03   0.158E+02 -.309E+02 0.411E+02   -.140E-02 -.407E-02 -.543E-02
   -.108E+03 0.179E+03 0.490E+03   0.149E+03 -.207E+03 -.508E+03   -.409E+02 0.278E+02 0.184E+02   -.175E-02 -.443E-02 -.332E-02
   0.259E+03 0.354E+03 0.428E+03   -.299E+03 -.385E+03 -.423E+03   0.405E+02 0.314E+02 -.453E+01   -.105E-02 -.441E-02 -.483E-02
 -----------------------------------------------------------------------------------------------
   0.341E+02 0.558E+01 -.149E+02   0.500E-11 -.495E-11 -.568E-13   -.340E+02 -.550E+01 0.149E+02   -.107E+00 -.837E-01 -.267E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.19893      3.15950      1.33830        -0.047513     -0.201070     -0.027419
     12.95161      3.59586      2.63462        -0.004021      0.033087      0.138098
     12.88868      4.95322      2.95803        -0.025354      0.148612     -0.052479
     13.24669      4.07195      0.29136         0.099214      0.011080     -0.010998
     13.12090      5.43233      0.60085         0.118685     -0.043607     -0.140744
     13.01422      5.92721      1.92549         0.031452     -0.086043      0.063629
     13.31773      1.67263      1.35480         0.101939     -0.245171     -0.221522
     12.75019      2.38820      3.49703         0.090741     -0.039619      0.049769
     13.09102      7.40610      2.20500         0.037936     -0.011387      0.068468
     13.09297      7.93388      3.52487         0.009082     -0.051686     -0.013355
     13.30547      9.29983      3.72413         0.057010     -0.123810     -0.039197
     13.25724      8.33841      1.14729         0.068541      0.044033     -0.076162
     13.47411      9.70550      1.35253         0.077203      0.137952      0.053288
     13.51784     10.17338      2.66413        -0.022642      0.080648      0.091353
     13.76888     11.53905      3.21492         0.099804      0.159431     -0.315767
     13.38497     10.08123      4.99439         0.004223     -0.177089      0.333124
     13.75497     12.53832      5.56574        -0.091256     -0.209369      0.079220
     13.48751     12.38617      6.93429         0.024428      0.114866      0.191912
     13.56110     13.48817      7.79402        -0.021942     -0.107309     -0.174663
     14.10754     13.82365      5.13613        -0.107094     -0.015324      0.219901
     14.17298     14.91814      6.00747        -0.120278      0.055877      0.298235
     13.86619     14.80763      7.41047        -0.007406     -0.118138     -0.062044
     13.90597     15.92150      8.44274         0.032333      0.099245      0.155775
     13.21473     15.99281      9.71037         0.001774     -0.157244     -0.073224
     13.27950     17.15384     10.50277        -0.025529     -0.234772     -0.044062
     14.70938     17.05010      8.18080         0.038659     -0.144989      0.060469
     14.72221     18.21556      8.93840         0.029891     -0.074546     -0.061732
     13.97234     18.28852     10.10043         0.038799      0.004450      0.009168
     12.39779     14.87209     10.33118         0.048584      0.074751      0.041071
     14.72484     16.14853      5.32639        -0.002015     -0.007994      0.097910
      9.87143      3.84740      4.69158        -0.015601     -0.130912     -0.069983
      9.70937      4.76514      3.65670         0.008842     -0.002051     -0.062354
      9.72082      6.15144      3.89616         0.052339     -0.093373      0.089400
     10.14438      4.27763      5.98798         0.024137      0.000058     -0.215178
     10.22943      5.65400      6.21509         0.011172     -0.167199      0.020038
      9.98469      6.63188      5.21214         0.093189      0.050800     -0.054227
      9.67995      2.46233      4.15930        -0.032781     -0.206152      0.120565
      9.57443      3.97864      2.37394        -0.021256     -0.008863      0.192821
     10.04444      8.09902      5.58451         0.014234     -0.099036      0.036248
     10.05674      9.15430      4.63595         0.056432      0.063438      0.042388
     10.16336     10.47858      5.07520         0.062734     -0.075651     -0.149629
     10.08940      8.48380      6.95222        -0.074232     -0.058240      0.053977
     10.16118      9.81224      7.38764         0.000564      0.096870     -0.013600
     10.21751     10.81808      6.42537        -0.019887      0.038354     -0.184719
     10.28729     12.30326      6.53478        -0.045857      0.305671      0.296382
     10.25210     11.74021      4.27432        -0.105602     -0.041868     -0.055910
     10.68539     14.19334      4.83511         0.077498     -0.202567     -0.116019
     11.23181     14.51800      3.58414         0.062951      0.052184      0.120054
     11.60539     15.83536      3.30111        -0.023202     -0.106917     -0.042533
     10.54178     15.26136      5.73278         0.165890      0.057410     -0.020393
     10.94933     16.58087      5.44427         0.032628      0.032368      0.018386
     11.52978     16.94683      4.16891         0.138718     -0.030843     -0.139953
     12.06166     18.31629      3.70017        -0.004604     -0.016496      0.134573
     12.68745     18.70020      2.45013        -0.042909      0.096112     -0.119326
     12.99598     20.04788      2.17892        -0.140167     -0.020887     -0.051313
     11.94053     19.42137      4.56978        -0.041122      0.109791      0.020451
     12.21998     20.76149      4.30464         0.023341     -0.060969     -0.048212
     12.73258     21.11209      3.05376        -0.070629      0.305676      0.051191
     13.17906     17.81496      1.29442        -0.223347     -0.029126      0.062499
     10.76849     17.49945      6.64554         0.029198     -0.079383      0.105598
     10.64206      7.07831     14.81927        -0.135827     -0.350540      0.032167
     10.55882      7.50075     16.14170         0.008171     -0.208183      0.210066
     10.56778      8.85482     16.48426         0.033604      0.380953      0.014361
     10.63217      8.00354     13.78206         0.041906     -0.087783      0.086678
     10.58047      9.35770     14.12065         0.065315     -0.030675     -0.136032
     10.59838      9.84314     15.45127         0.002655     -0.256281      0.247291
     10.61386      5.58341     14.78748         0.073928     -0.311851     -0.435345
     10.39157      6.26917     16.99759         0.006400     -0.137814      0.835516
     10.64180     11.32877     15.70619         0.047842      0.247194      0.015907
     10.71352     11.93347     16.99496         0.017204     -0.121902     -0.007256
     10.78261     13.32853     17.10339         0.033384     -0.093706      0.074901
     10.65292     12.22143     14.60146         0.044131      0.104247     -0.141465
     10.76614     13.61223     14.70849         0.029747      0.074965      0.070964
     10.82678     14.16191     15.98720         0.023288      0.085719      0.034215
     10.93166     15.58356     16.44351         0.122234      0.185148     -0.240695
     10.81850     14.19878     18.32458         0.017337     -0.086870      0.287315
     10.78807     16.72656     18.71360        -0.051047     -0.091978      0.079527
     10.05160     16.71683     19.89510         0.085855     -0.045025      0.041717
      9.88987     17.88762     20.63885        -0.016281     -0.052903     -0.178608
     11.38251     17.94816     18.38075        -0.056029      0.117357      0.082214
     11.24461     19.12168     19.15455        -0.019904      0.066781     -0.118591
     10.43078     19.15711     20.35883        -0.122833      0.185649      0.148001
     10.08787     20.34366      0.06431         0.019489     -0.043124      0.016744
      9.35832     20.29852      1.33000         0.260622     -0.019832     -0.223561
      9.17707      0.18956      2.12766         0.155887      0.092844     -0.048543
     10.49574      0.40637     21.01811        -0.033213     -0.074296      0.059947
     10.33875      1.54518      0.56673        -0.090528     -0.112212      0.032865
      9.69043      1.45846      1.80418        -0.002416      0.144847      0.052030
      8.71216     19.06983      1.95990         0.267812      0.043084     -0.033261
     12.08395     20.25760     18.56984        -0.131643      0.001711      0.175938
      7.31789      7.66346     17.31566         0.019530     -0.105719     -0.146567
      7.12077      8.57846     16.28715         0.030935      0.127810     -0.119666
      7.06640      9.96031     16.54577        -0.001679      0.015855     -0.088534
      7.59154      8.08794     18.60740         0.013480      0.005775     -0.059372
      7.61896      9.46234     18.84699        -0.021720      0.015632      0.069773
      7.30964     10.44496     17.86460         0.045600     -0.003492      0.027020
      7.17046      6.28492     16.78592        -0.076138     -0.347334      0.114693
      7.03365      7.78250     15.00385        -0.107867      0.016248     -0.095958
      7.27073     11.91171     18.27286         0.022602      0.059165     -0.066208
      7.11154     13.00547     17.36925         0.017478     -0.142203      0.003538
      7.13682     14.32349     17.84937        -0.023146     -0.011963     -0.217499
      7.42222     12.26281     19.64078        -0.057783      0.009027      0.153253
      7.39800     13.57747     20.12366         0.023407      0.048678     -0.086426
      7.25459     14.61745     19.20693        -0.080547      0.114143     -0.095880
      7.19476     16.10487     19.38187        -0.109129      0.157334      0.224605
      7.09626     15.63380     17.10526        -0.042875      0.016495     -0.312454
      7.51339     18.07427     17.76753         0.002104     -0.132506     -0.087191
      8.36186     18.41476     16.70634         0.003022      0.021983      0.072803
      8.75487     19.74438     16.52014         0.063266     -0.007518     -0.000794
      7.04076     19.15006     18.52820         0.064501      0.092297      0.099682
      7.43127     20.49751     18.31337        -0.061689      0.002168      0.107695
      8.37312     20.87215     17.28295         0.192562     -0.058439     -0.152234
      8.98636      1.00208     16.92462        -0.013197     -0.129604      0.189047
      9.77072      1.36799     15.75811        -0.018932      0.302382      0.096054
     10.22159      2.69365     15.58815         0.056953      0.215196     -0.138354
      8.80312      2.10297     17.79826        -0.188804     -0.046832     -0.029048
      9.22257      3.42978     17.61308         0.303470     -0.192123     -0.129931
      9.95956      3.76109     16.46749        -0.018771      0.024399     -0.142189
     10.28715      0.52689     14.58559         0.173023     -0.452674     -0.127254
      6.72013      0.18669     19.26994         0.046759     -0.050675     -0.020253
      6.89965     10.81888      6.25775        -0.072053     -0.119715      0.170469
      6.87248     11.27142      7.57248        -0.017682     -0.017597      0.177125
      6.90986     12.63765      7.89779         0.032177      0.147510      0.014929
      6.98641     11.74687      5.22110        -0.048788     -0.030607      0.064161
      7.03318     13.11253      5.54550        -0.004904     -0.038677     -0.144465
      6.99507     13.62761      6.86953        -0.007123     -0.082522      0.122225
      6.89214      9.31791      6.26713        -0.003074     -0.193868     -0.093856
      6.86598     10.05741      8.46677         0.035220     -0.188987      0.097913
      7.07892     15.13749      7.11212        -0.006546     -0.043437      0.047088
      7.14902     15.75181      8.40022         0.013323     -0.146321     -0.003504
      7.25419     17.15096      8.51384         0.049419     -0.075513      0.058072
      7.14902     16.03138      6.00632        -0.055708      0.066037     -0.152385
      7.24933     17.42217      6.12538        -0.107601      0.032539      0.012970
      7.26595     17.97902      7.39647         0.011856      0.085704      0.121482
      7.39297     19.40779      7.82585         0.025134      0.135966     -0.126488
      7.49414     18.02988      9.71160         0.077648     -0.060578      0.277149
      7.71634     20.55802     10.07572         0.050941     -0.199207      0.033750
      7.22910     20.52284     11.38039         0.066021      0.221414     -0.007657
      7.22616      0.42167     12.15468        -0.001816     -0.026555     -0.031296
      8.36633      0.48396      9.68202         0.029522      0.006064      0.127227
      8.49151      1.60507     10.53916         0.028888      0.022456      0.027113
      7.79909      1.66354     11.81887        -0.167110     -0.051070      0.227923
      7.56374      2.83833     12.80176        -0.007643     -0.137673      0.163332
      6.92479      2.81042     14.12914         0.378991      0.062167     -0.549661
      6.74272      4.00115     14.84269         0.092745      0.259761      0.028645
      7.94441      4.14465     12.42250        -0.014215      0.148753      0.025439
      7.83778      5.31915     13.19658         0.011442     -0.149819     -0.077776
      7.21967      5.26316     14.44774        -0.122219      0.086537      0.172946
      6.31705      1.63801     14.90592         0.193471     -0.200165     -0.341148
      9.50871      2.62555     10.02177        -0.175570     -0.199604     -0.058000
      4.29479     11.55777     10.39041        -0.049237     -0.063015     -0.162463
      4.07208     12.42116      9.32440        -0.017992      0.043819     -0.072090
      4.23515     13.80517      9.45573        -0.073429      0.047666      0.006709
      4.73776     12.05579     11.61371        -0.075143     -0.112248     -0.008897
      4.78812     13.44355     11.78258        -0.013439     -0.106068      0.084479
      4.52179     14.35920     10.73211        -0.022282      0.044733     -0.062229
      3.86740     10.18266      9.99858         0.049904     -0.097211      0.075074
      3.57830     11.60025      8.16979        -0.095170      0.011879     -0.447359
      4.49670     15.84463     10.99841        -0.037490     -0.016635     -0.039933
      4.06924     16.78976     10.01905         0.081168     -0.021332      0.061658
      4.07620     18.15647     10.32355        -0.033920      0.035135     -0.084619
      4.88575     16.35010     12.26694        -0.018256     -0.025138      0.013285
      4.79193     17.70323     12.59600        -0.004735      0.009317      0.037691
      4.38558     18.59237     11.61260        -0.108969     -0.120684     -0.258730
      4.26128     20.05920     11.67383        -0.031681      0.082373      0.231293
      3.87843     19.39073      9.46687         0.134923      0.019914      0.361957
      4.36528      0.62430      9.97023         0.075137     -0.122470     -0.103898
      4.90921      0.98613      8.73268         0.058421     -0.042037      0.134837
      5.45755      2.26075      8.58109        -0.163257     -0.199933     -0.055623
      4.24191      1.67479     10.87815         0.086310      0.000445      0.030105
      4.72442      2.99299     10.66982         0.030133      0.050369     -0.046554
      5.46894      3.35194      9.48640         0.091923     -0.034502     -0.238190
      6.09566      4.71114      9.01108        -0.037884     -0.049515      0.151212
      6.57248      5.03606      7.68576        -0.020853      0.195818     -0.017058
      6.83324      6.36456      7.25837        -0.095883     -0.049578      0.204875
      6.12452      5.85652      9.84064         0.009709      0.125755     -0.015429
      6.33440      7.18727      9.42536        -0.076989     -0.266237     -0.006149
      6.65292      7.48731      8.09053        -0.016387      0.372288      0.104709
      6.77957      4.02836      6.57715        -0.191704      0.070146     -0.262975
      4.11688      3.79862     11.80205         0.004059     -0.020390      0.177403
      0.78672     14.08458      1.04883         0.189002     -0.037194      0.106049
      1.50068     14.52732      2.15590         0.045350     -0.007846      0.121579
      1.52964     15.91330      2.46524         0.101896      0.048235     -0.040019
      0.23904     14.96233      0.13321        -0.088420     -0.068954     -0.088683
      0.37866     16.32449      0.36663        -0.018485     -0.008715      0.131551
      0.95016     16.86452      1.55266         0.053152      0.006642     -0.054508
      0.75993     12.61041      1.00052        -0.063980      0.273832      0.021689
      2.14233     13.26189      2.74923         0.207936     -0.081486      0.391724
      0.91895     18.39605      1.69391         0.063467      0.151284      0.225522
      1.34695     19.15236      2.83504        -0.088913     -0.053579     -0.147692
      1.24624     20.56342      2.82147         0.006657     -0.227042      0.227992
      0.41007     19.17417      0.60926        -0.101009      0.021962     -0.050160
      0.24395     20.56285      0.63348        -0.002894     -0.022751      0.175613
      0.65709     -0.00704      1.76823         0.031921      0.054836     -0.021487
      0.59043      1.45120      2.08432        -0.045138      0.034092     -0.335679
      1.69726      0.34430      3.81721         0.072947     -0.138165      0.221675
      1.32746      2.90056      4.04990         0.059285     -0.198864     -0.014797
      1.99971      2.98908      5.27221         0.004741      0.170735      0.032036
      2.12974      4.21598      5.92043         0.111068     -0.014241      0.006939
      0.72874      4.09853      3.60986         0.033925      0.100664      0.062093
      0.80260      5.30976      4.33872         0.284914     -0.120999      0.410411
      1.59482      5.46135      5.54025        -0.014204     -0.116557     -0.063475
      1.95943      6.70637      6.39390         0.021226      0.047433     -0.174009
      2.42714      6.70129      7.75497        -0.024557      0.019960      0.018369
      2.84895      7.86646      8.41998         0.021283     -0.151097     -0.157600
      1.99522      8.02379      5.85846         0.102792      0.046532     -0.261352
      2.46848      9.19109      6.50260        -0.026501     -0.244471     -0.045735
      2.92164      9.13444      7.83824         0.036255      0.161950     -0.072158
      2.67120      5.49020      8.63382        -0.030937      0.212262      0.041217
     -0.02288      6.40970      3.74654         0.177834     -0.079314     -0.211115
      4.56027     14.11774      0.63445        -0.045612     -0.032532     -0.034007
      3.98776     15.03050     -0.24655        -0.137613      0.118098     -0.181390
      4.04715     16.42155     -0.03204        -0.117546      0.220286     -0.020579
      5.19405     14.59449      1.78024        -0.089678     -0.135714     -0.128869
      5.18631     15.97266      2.02806        -0.018953      0.101169      0.068995
      4.62205     16.96081      1.16563        -0.151123      0.029699     -0.067771
      4.34475     12.72503      0.12207         0.002614      0.018928     -0.110725
      3.33623     14.22415     19.90928        -0.149649      0.143143     -0.411273
      4.64502     18.45565      1.59589        -0.058772      0.132631      0.053736
      4.15612     19.60049      0.87419         0.002096     -0.141797     -0.110775
      4.29784     20.91658      1.39946        -0.054930     -0.063668     -0.218655
      5.20158     18.76983      2.86648         0.045009      0.007945      0.072809
      5.38083     20.06366      3.36962        -0.000656      0.214040     -0.008741
      4.95173     21.15106      2.60543        -0.060392     -0.061101     -0.077256
      5.08114      1.37234      2.83168         0.181670      0.088989      0.282517
      3.84884      1.02392      0.88508         0.026513     -0.060457     -0.028182
      4.05068      3.48680      1.75190         0.055073     -0.000956      0.011411
      3.18084      4.04631      0.79157         0.196724     -0.130214     -0.082464
      2.96666      5.42950      0.71569        -0.053032     -0.092244     -0.004571
      4.60550      4.43772      2.64536        -0.092853     -0.308089     -0.168170
      4.24729      5.80782      2.64484        -0.038067     -0.006288      0.052901
      3.41132      6.40663      1.64312        -0.169892     -0.024927      0.017847
      2.95362      7.88391      1.59474         0.278998     -0.116667     -0.006807
      1.70738      8.41124      1.10488         0.254888      0.021538     -0.208674
      1.37198      9.76449      1.25711         0.296113      0.274141      0.170032
      3.78026      8.88869      2.15561         0.077435     -0.109296     -0.080373
      3.42569     10.22617      2.39709        -0.380398      0.210638     -0.180664
      2.19062     10.72105      1.90718        -0.008303     -0.091532      0.167621
      0.70400      7.64621      0.24223         0.127845      0.281905     -0.320507
      4.89050      6.49527      3.83732        -0.014706      0.190258     -0.072272
     18.01645     17.33690     13.87519        -0.006189     -0.301441      0.018326
     18.98831     17.79911     14.75828         0.041784     -0.005825      0.034215
     19.21314     19.16533     14.95375         0.049775      0.091011     -0.051861
     17.32889     18.23401     13.06154        -0.043019     -0.022248      0.058903
     17.63160     19.59554     13.18137        -0.130665      0.041450     -0.012803
     18.51407     20.11810     14.16250         0.000531      0.156531      0.115835
     17.98401     15.83777     13.94179        -0.073312     -0.217976     -0.033078
     19.70524     16.60884     15.32276         0.115470     -0.214532      0.209453
     18.65231      0.36070     14.35616        -0.091927     -0.100854     -0.069537
     19.53027      0.95034     15.30780        -0.088054     -0.172820     -0.044833
     19.54521      2.33925     15.46949        -0.038627     -0.049830      0.170491
     17.83419      1.25434     13.61286        -0.140400      0.093287     -0.034337
     17.84773      2.64602     13.78635        -0.027107     -0.039700      0.044287
     18.71462      3.18130     14.73283         0.097167      0.154855      0.155815
     18.93634      4.59400     15.18455        -0.173710      0.326626     -0.150769
     20.32742      3.18710     16.42800         0.012004      0.070945      0.025445
     20.53678      5.71694     16.82474         0.051285     -0.284801      0.043609
      0.60976      5.70641     17.24432         0.014332      0.006435     -0.003221
      1.21696      6.87598     17.71010        -0.047279     -0.037138     -0.087111
     19.84790      6.91307     17.05791        -0.244393     -0.027072      0.068800
     20.44542      8.05595     17.63861         0.147215      0.210287     -0.002253
      0.61271      8.13011     17.93099        -0.099076     -0.194479     -0.060757
      1.48375      9.30276     18.47590        -0.144010      0.172208     -0.009368
      2.85190      9.29246     18.97293        -0.013821      0.158083      0.144023
      3.46434     10.48177     19.44996        -0.315329      0.240200      0.118521
      0.92558     10.60803     18.52612         0.220079      0.029498      0.123574
      1.50974     11.76994     19.06696         0.154165     -0.560720     -0.106996
      2.81221     11.71670     19.57567         0.082486     -0.026014      0.011387
      3.94903      8.21402     18.98770        -0.324195      0.022099     -0.081137
     19.41322      9.13218     17.94924         0.136401      0.108826      0.064679
      1.77754     18.31716     14.13796        -0.163202     -0.215904      0.076191
      1.07698     19.21585     13.33302         0.180741      0.071606      0.146844
      1.13649     20.59319     13.56158        -0.084078      0.011392      0.059344
      2.54273     18.77063     15.21134         0.004026     -0.127320     -0.198507
      2.57115     20.14474     15.45796         0.095557     -0.079730      0.069684
      1.87713     21.09250     14.66654         0.051571      0.051876     -0.024832
      1.49337     16.92519     13.67996        -0.000990     -0.016705      0.013707
      0.33122     18.42687     12.31002        -0.456641      0.116188     -0.421624
      2.01879      1.30126     14.96326        -0.033349     -0.227836     -0.070689
      1.51679      2.29492     14.09137        -0.064173      0.005106      0.144332
      1.79329      3.63131     14.36013        -0.067828      0.134428     -0.117703
      2.69696      1.74393     16.12410         0.165153      0.076811      0.132957
      3.06123      3.07843     16.33585         0.039925     -0.038062     -0.058383
      2.65065      4.01418     15.39209        -0.177526      0.285461     -0.171610
      2.87965      5.48511     15.27457         0.330316      0.599057      0.329642
      1.27267      4.86860     13.69123         0.676232     -0.269322      0.723964
      1.46871      7.33156     14.21662        -0.128862     -0.148292      0.053379
      0.13903      7.63155     13.89090        -0.010017     -0.041101      0.078613
     20.93406      8.93379     14.05217        -0.038654     -0.154687      0.013142
      2.26965      8.42218     14.57880        -0.185462      0.019578      0.052281
      1.78975      9.74059     14.69990        -0.061752      0.161551      0.054689
      0.39453     10.06583     14.47183        -0.121400      0.087541      0.050518
     20.88040     11.39559     14.60535         0.101835     -0.073525      0.027791
     19.48481     11.65781     14.28790        -0.075447     -0.025212     -0.066144
     18.92981     12.94892     14.39799         0.173163      0.116520     -0.060020
      0.27664     12.56042     15.06776        -0.065059      0.074996      0.007493
     -0.26075     13.85134     15.13509         0.017671      0.036286      0.003190
     19.66484     14.08718     14.77140         0.188607      0.235963      0.148649
     18.39917     10.65726     13.85472         0.096370      0.084025     -0.039895
      2.88876     10.70761     15.10779         0.091669     -0.032322      0.151287
     16.37326      0.42033      5.24828         0.033297     -0.049905      0.020083
     16.94195      0.78857      6.46206         0.060251     -0.042026      0.161980
     16.85479      2.10816      6.94808        -0.036521      0.010029     -0.024311
     15.72483      1.35209      4.46192         0.032471     -0.050424      0.071517
     15.68544      2.66926      4.91781        -0.022433     -0.041619     -0.122722
     16.22649      3.11349      6.15079        -0.001224     -0.048432      0.087531
     16.67788     20.26179      4.94414        -0.139456     -0.112663     -0.226708
     17.67789     20.83206      6.97068         0.101496     -0.034288      0.270149
     16.18448      4.60637      6.46780         0.016805      0.019681      0.013659
     16.73244      5.24707      7.61993        -0.048895     -0.050024     -0.015159
     16.73905      6.65404      7.69450        -0.034241     -0.029929      0.052634
     15.61878      5.47897      5.49780         0.021050      0.074526     -0.183078
     15.68301      6.87189      5.54742         0.052528      0.049994      0.061758
     16.26588      7.45676      6.66103         0.003620      0.159008      0.162891
     16.53058      8.89559      6.97044        -0.149889     -0.001769     -0.073755
     17.27987      7.57696      8.74892         0.091537     -0.180656      0.409611
     17.66658     10.10702      8.90779        -0.147100     -0.262823      0.009150
     18.69421      9.99643      9.84024        -0.083457      0.222092      0.077809
     19.27552     11.13629     10.39687        -0.062628     -0.024894      0.047693
     17.20407     11.40736      8.65538         0.186414      0.085384      0.090381
     17.82399     12.54866      9.21571         0.023121      0.072113     -0.029822
     18.95383     12.47121     10.11066        -0.062204     -0.008942      0.018284
     19.76243     13.60809     10.76969         0.028816     -0.003801      0.103738
     21.09006     13.54065     11.35583        -0.333334     -0.044991     -0.068027
      0.44174     14.67630     11.91299        -0.147007      0.208969      0.016312
     19.19617     14.89999     10.90296        -0.006241      0.003042      0.110392
     19.81892     16.03469     11.44265        -0.018324     -0.048517      0.015722
     21.11522     15.94087     11.96577        -0.097526      0.115074      0.004138
      0.84488     12.40171     11.35923         0.065340     -0.083047      0.015227
     17.11126     13.82065      8.82158         0.107944     -0.132042      0.048107
     20.24880      1.49658      6.23825         0.056802      0.002129      0.033515
     19.64503      2.51630      5.50676        -0.038682      0.209212     -0.130738
     19.55940      3.81365      5.98592         0.015854     -0.064344     -0.064245
     20.75914      1.75963      7.50286        -0.017995     -0.142640     -0.009385
     20.62384      3.04873      8.01858         0.008184      0.142438      0.115066
     20.04835      4.11245      7.27794        -0.088683      0.145715     -0.027539
     20.24600      0.25857      5.41181         0.081663     -0.059717      0.159953
     19.21986      1.96359      4.18625        -0.125985      0.205227     -0.249170
     20.06894      5.53539      7.73930        -0.063676     -0.069300     -0.002214
     19.62797      6.56249      6.87554         0.054767      0.108625      0.246515
     19.95462      7.88306      7.16215        -0.024608      0.138411      0.073547
     -0.67110      5.93024      8.99430         0.009048      0.038555      0.124416
     -0.37617      7.26297      9.29737         0.023147      0.089953     -0.067881
     20.64723      8.22849      8.31703        -0.077952     -0.040145     -0.201610
     -0.25056      9.67009      8.22938        -0.852379     -0.884121     -0.982899
     19.69040      9.12810      6.37172         0.605512     -0.096540      0.930651
     20.30823     11.59379      6.67930        -0.191894     -0.411603     -0.142952
     19.35314     12.02562      5.74095         0.060698      0.214732      0.056092
     19.17013     13.38751      5.50743        -0.011832     -0.071894     -0.003446
     21.13951     12.58833      7.22816        -0.142699      0.195491     -0.099930
     20.97090     13.95797      6.93518        -0.027103      0.177872     -0.023169
     19.91078     14.43921      6.09309        -0.196940     -0.222625     -0.031682
     19.43277     15.86506      5.88719        -0.067586     -0.094128     -0.000256
     18.69614     16.37996      4.76161         0.110251      0.093578      0.144908
     18.14731     17.67214      4.78892         0.043836      0.025886      0.089608
     19.55851     16.79056      6.94908        -0.015169      0.050517      0.012045
     19.01630     18.07476      6.98530         0.020567     -0.139554     -0.069401
     18.24615     18.52636      5.90741        -0.071265      0.158387      0.112883
     18.35950     15.60923      3.49141         0.143129      0.167316      0.003428
      0.75541     14.87494      7.54706        -0.046208     -0.119269     -0.000826
     12.72423      5.24976      3.99658         0.006349     -0.044610     -0.038074
     13.37291      3.73892     20.51470        -0.005680      0.067131      0.122931
     13.12966      6.11547     21.01017         0.038618      0.071644      0.088287
     12.95590      7.29296      4.39828        -0.032939      0.014938     -0.055083
     13.25435      7.99932      0.11096        -0.023385     -0.058783      0.049693
     13.63316     10.38967      0.51152        -0.051946     -0.127309      0.088854
     13.42986     13.27574      8.84506        -0.079549     -0.101206     -0.018218
     13.21962     11.41410      7.34941         0.134108      0.108498     -0.065968
     14.30176     14.00253      4.09156         0.154601     -0.089974     -0.196248
     12.77807     17.16087     11.46885        -0.131382     -0.014158     -0.060991
     15.37552     17.02567      7.33698         0.054941      0.044309      0.111131
     15.32309     19.05861      8.59182         0.048705      0.007270      0.079873
      9.52048      6.83692      3.07082         0.022526      0.009487      0.001124
     10.26929      3.55504      6.79647         0.081945      0.090057     -0.023494
     10.48315      5.95388      7.23186        -0.001960      0.094198     -0.049892
      9.98948      8.96134      3.56652         0.031631     -0.049935     -0.079759
     10.01717      7.72409      7.73416         0.040981      0.029434     -0.121162
     10.15625     10.04314      8.45745         0.044420      0.003510     -0.108065
     11.99520     15.97707      2.30684         0.085352     -0.054856      0.053656
     11.43722     13.74531      2.84203        -0.146269      0.151867      0.004091
     10.18792     15.05725      6.73415        -0.120454     -0.081653      0.031578
     13.41755     20.27452      1.20953         0.090892      0.071478      0.030766
     11.59600     19.26242      5.56998        -0.131267      0.079709     -0.009509
     11.99792      0.25430      5.06244         0.070823     -0.131584     -0.057737
     10.51321      9.15247     17.53703         0.026219     -0.092337     -0.111500
     10.62934      7.68767     12.73490         0.041471      0.022754      0.100525
     10.51317     10.04777     13.28457         0.074332      0.101966     -0.012010
     10.72229     11.33450     17.91065        -0.027625      0.026508     -0.077294
     10.58841     11.83456     13.58543         0.031469     -0.035016      0.040598
     10.81889     14.23856     13.81043        -0.057604     -0.084645      0.141442
      9.26871     17.75480      0.24059        -0.115896     -0.052429     -0.059875
      9.57703     15.80164     20.25391         0.167938      0.137262     -0.002725
     11.95136     18.01375     17.46293         0.106367     -0.030566     -0.046732
      8.65937      0.07730      3.06967        -0.090408      0.015938      0.129037
     10.96916      0.59320     20.06683         0.110595      0.019111      0.098045
     10.75362      2.49524      0.22557        -0.161570     -0.072371     -0.082138
      6.80852     10.64402     15.73233         0.103377     -0.029255      0.028154
      7.78438      7.36544     19.40358        -0.000058      0.079345     -0.019632
      7.86936      9.75211     19.86580        -0.019068      0.130997     -0.011258
      6.97869     12.83256     16.30000         0.057942      0.015510     -0.037479
      7.54178     11.49130     20.40256        -0.026570      0.000150     -0.117851
      7.50992     13.76261     -0.06341        -0.007364      0.026779     -0.118400
      9.40812     19.90004     15.67989         0.218785     -0.162316      0.102322
      8.75987     17.65529     16.02876        -0.036199      0.128673      0.079364
      6.36265     18.95944     19.35573         0.048056     -0.103968     -0.074962
     10.74101      2.91105     14.65654         0.034713      0.089781      0.278066
      8.23562      1.95260     18.70676         0.136031      0.057700     -0.130463
      8.93669      4.17665     18.35166         0.121662     -0.087946     -0.007911
      6.85279     12.91755      8.95033         0.162887      0.047281     -0.003677
      7.04585     11.42664      4.17596        -0.051161      0.033868      0.098135
      7.13169     13.79006      4.69557        -0.029784      0.039410      0.103058
      7.13152     15.14573      9.31092         0.088320      0.047200     -0.071380
      7.14502     15.66026      4.98058         0.021586     -0.175542      0.096634
      7.38742     18.06728      5.25247        -0.154064     -0.167707      0.005938
      6.73793      0.31600     13.10643        -0.099075     -0.047962     -0.119814
      6.83333     19.59566     11.78809        -0.004397      0.105065      0.050054
      8.81938      0.54090      8.69241         0.010375     -0.056956      0.109149
      6.22322      3.96074     15.78768        -0.027358     -0.057225      0.150321
      8.35636      4.28430     11.42975         0.099115      0.037315      0.087544
      8.28061      6.24657     12.82135        -0.254872     -0.127248     -0.054178
      4.09071     14.44983      8.58801        -0.036346     -0.077366      0.040644
      4.97028     11.38247     12.44188        -0.097762      0.061443     -0.056874
      4.96261     13.80287     12.80036         0.127728      0.025676     -0.167186
      3.73966     16.45368      9.03723         0.032536      0.040168     -0.108047
      5.27864     15.68959     13.04240        -0.062288     -0.028757     -0.116449
      5.06246     18.07204     13.58775         0.037440     -0.110174     -0.019344
      5.87496      2.37743      7.61018         0.126829     -0.116469      0.008105
      4.94435      0.28754      7.89229         0.111857      0.104314      0.137813
      3.74870      1.46520     11.82009        -0.008338      0.018277      0.013277
      7.13546      6.51870      6.22957         0.007751      0.002959      0.005210
      5.92914      5.73171     10.89409        -0.121477      0.035273      0.105251
      6.17972      7.99096     10.14213         0.159766     -0.111637      0.136875
      2.02158     16.25438      3.38356        -0.036202     -0.044398     -0.116783
     -0.24499     14.57283     20.49378        -0.065060      0.140073      0.028172
      0.02322     16.97287     20.83175        -0.135822      0.072059      0.062999
      1.72309     18.65608      3.73415         0.067053      0.040300     -0.075081
      0.09273     18.69848     20.94122         0.024595     -0.048611      0.095888
     -0.20291     -0.15878     21.05409         0.045789     -0.069717     -0.052664
      2.74182      4.18245      6.79510         0.115994     -0.210636     -0.036106
      2.42630      2.10680      5.73888         0.146152     -0.006868     -0.044148
      0.15043      4.09728      2.69123        -0.053762     -0.039953      0.000772
      3.15411      7.76956      9.44829         0.085392      0.054248      0.143290
      1.72227      8.15699      4.80839        -0.006212      0.022176      0.201991
      2.49917     10.12137      5.93625        -0.029536     -0.021529      0.033836
      3.62464     17.06527     20.44857        -0.043384      0.069021      0.154655
      5.64278     13.89145      2.49082        -0.039299      0.184636     -0.030345
      5.63747     16.26100      2.97389         0.057002      0.143296     -0.007646
      3.68457     19.46907     -0.10665         0.022021      0.070051      0.124899
      5.57018     17.96997      3.50751        -0.062900      0.027536     -0.025802
      5.86823     20.21704      4.33798        -0.078572     -0.013047     -0.082416
      2.41914      5.74305     -0.15962        -0.178767      0.000673      0.089897
      2.67149      3.40177      0.07134         0.175025      0.145665      0.006984
      5.31353      4.12966      3.41108        -0.132325     -0.245129     -0.063122
      0.45362     10.12707      0.81411        -0.082032     -0.140685      0.058983
      4.80315      8.60375      2.40407        -0.107966      0.147528      0.101091
      4.13159     10.85522      2.94322        -0.082153      0.060615     -0.216512
     19.94843     19.47903     15.69431         0.033587      0.005270      0.051992
     16.58894     17.89381     12.32941         0.104788      0.005909      0.059922
     17.14831     20.26124     12.46364        -0.012967      0.028875      0.147466
     20.17645      0.32309     15.92592         0.023306      0.107063      0.011545
     17.11003      0.87536     12.88699         0.133218     -0.073449      0.086116
     17.16834      3.28982     13.21989         0.084222     -0.071724      0.003444
      2.25189      6.75175     17.96229         0.123596      0.051206     -0.163054
      1.19578      4.78429     17.21143        -0.148847      0.227384      0.037698
     18.78155      6.95218     16.82430         0.233137      0.038460      0.022041
      4.49136     10.45490     19.79780        -0.034411     -0.172338     -0.022851
     -0.05224     10.74850     18.09859        -0.149971      0.101008      0.029501
      0.92988     12.68304     19.08690        -0.114323      0.188547     -0.071436
      0.60567      0.00856     12.88947        -0.070073     -0.003218     -0.011049
      3.13403     18.07286     15.81464        -0.166590      0.089631     -0.007504
      3.20129     20.47990     16.28203        -0.038799      0.061991     -0.034770
      0.92801      2.03433     13.21420        -0.068809      0.027359     -0.062115
      2.99036      1.03909     16.90319        -0.014844     -0.042903     -0.106386
      3.61781      3.36657     17.23348         0.020970     -0.040844     -0.160521
     19.89264      9.03810     13.83526        -0.029108     -0.150838      0.080667
     20.67513      6.87858     13.56421         0.235976      0.065733      0.100966
      3.29667      8.21985     14.83447         0.254138      0.026105     -0.014968
     17.89300     13.06488     14.12207        -0.139659      0.142831      0.024056
      1.29543     12.48913     15.41506         0.046077      0.052169     -0.132279
      0.39585     14.67567     15.42403        -0.126369     -0.232667      0.090457
     17.32385      2.36278      7.90086         0.002482     -0.026867      0.006524
     15.30325      1.04977      3.50127         0.082616      0.149566      0.063825
     15.23653      3.37028      4.22693        -0.055904      0.205006      0.014553
     17.19590      4.68261      8.43606        -0.117756     -0.009255     -0.091586
     15.12098      5.07729      4.62032         0.077460     -0.113692     -0.040923
     15.30334      7.48799      4.72916         0.030009     -0.119734      0.066575
     20.03057     10.93829     11.13033         0.039479      0.005743     -0.021822
     19.05078      9.01449     10.13089        -0.040770      0.077005      0.203594
     16.35570     11.55999      7.99728         0.028265     -0.050585     -0.073688
      1.41417     14.56205     12.35916         0.224362      0.032331      0.024098
     18.17222     15.05583     10.58771         0.038402     -0.019504      0.189353
     19.25670     16.97046     11.48900         0.142217     -0.117852     -0.131905
     19.15710      4.59126      5.33749        -0.078274     -0.119795     -0.009028
      0.02675      0.98169      8.05392        -0.064361     -0.047851      0.139004
     -0.21149      3.23771      9.00380        -0.084986      0.041191      0.020268
     19.06887      6.34323      5.97574        -0.008999      0.005377     -0.129470
     -0.44312      5.18019      9.75247        -0.066893      0.045193     -0.019065
      0.02908      7.53420     10.27330         0.113917     -0.040050     -0.019763
     18.35381     13.63785      4.84615        -0.087019     -0.091997      0.065493
     18.73256     11.30705      5.20886        -0.038229      0.088459      0.124308
      0.67601     12.30449      7.90011         0.102889     -0.050891      0.048094
     17.55982     17.99646      3.93795         0.020276     -0.000542     -0.031709
     20.05875     16.47337      7.85247         0.034742      0.008387      0.032641
     19.18877     18.71694      7.84835        -0.062081     -0.144219      0.007268
     13.93567     19.19817     10.69510         0.007403      0.076813      0.133359
     19.47854     21.23073      3.42905        -0.018109      0.160461      0.194528
     12.94048      1.23349      2.67004        -0.001603     -0.055577     -0.081042
     13.65372     11.44103      4.64216        -0.076153      0.002663     -0.065387
      9.61538      2.58074      2.72667         0.006823     -0.118831     -0.121061
     10.38756     12.82635      5.19765         0.115779     -0.041190     -0.029565
     10.33515      5.12503     16.11479        -0.036027      0.225482      0.262208
     10.87940     15.56152     17.87032        -0.024491     -0.097512      0.011175
      7.09500      6.38581     15.35839         0.224965      0.086354     -0.041274
      7.20396     16.68532     18.07517         0.145396     -0.039827     -0.114664
      6.76372      8.87865      7.62682         0.047684      0.095649      0.064221
      7.57343     19.39540      9.23868        -0.003853     -0.249979     -0.126540
      3.43695     10.24234      8.61748         0.116374     -0.040777      0.078258
      4.06022     20.52823     10.34748         0.069799      0.038453     -0.156916
      1.76644     12.13049      1.89080        -0.134879     -0.267943      0.099827
      1.21734      1.63686      3.35096         0.013148      0.060418      0.002661
      3.45730     12.83172     20.25630         0.098521      0.121488      0.066304
      4.31956      2.04572      1.82169        -0.124210     -0.198409     -0.171388
     19.12298     15.43297     14.72699        -0.085848     -0.010773     -0.077152
     19.92454      4.54980     16.21493         0.129956      0.124602     -0.009203
      0.53904     17.03892     12.60488         0.038520     -0.008244      0.074461
      1.94504      5.97797     14.29676        -0.210533     -0.011094      0.023582
     17.57348     19.79963      5.94757         0.008120      0.114189      0.070413
     17.14058      8.92872      8.25910        -0.034290     -0.046148      0.099569
     19.60352      0.61522      4.21517        -0.076253     -0.084859     -0.082194
     20.38379     10.19721      7.04267        -0.007328      0.280403     -0.063306
     12.47483      2.38541      4.68722         0.131695     -0.049887      0.085390
     13.70797      0.94410      0.45399        -0.052065      0.347303      0.071050
     13.23646      9.64551      6.12935         0.051467     -0.008617     -0.213198
     14.03231     12.55052      2.57649        -0.127153     -0.276155      0.140823
      9.47635      4.41273      1.24161        -0.018462      0.056087     -0.266277
      9.57972      1.41829      4.78578         0.090620      0.262015     -0.150099
     10.19204     11.84381      3.05753         0.014960      0.005521     -0.103189
     10.22761     12.98277      7.55043         0.000657     -0.250242     -0.228109
     10.31287      6.22984     18.22622         0.066704     -0.090401     -0.784293
     10.80120      4.86640     13.81033        -0.006974      0.335407      0.212333
     10.79646     13.84429     19.49489         0.009560      0.067003     -0.180246
     11.04830     16.59073     15.75397        -0.108977     -0.289874      0.142479
      6.95361      8.19678     13.86069        -0.001116      0.083362     -0.070201
      7.09788      5.25219     17.44245        -0.028102      0.320482     -0.225314
      6.99171     15.80959     15.89983         0.028238     -0.052213      0.055731
      7.11694     16.73435     20.42756        -0.061402     -0.158940     -0.174743
      6.98902     10.03683      9.68064        -0.030423      0.070009      0.054255
      7.03291      8.57594      5.30806        -0.096458      0.188261      0.014641
      7.64240     17.68745     10.87473        -0.013893     -0.046884     -0.176912
      7.32592     20.41485      7.13503         0.047976     -0.164904      0.007999
      3.32687     11.97489      7.03432         0.085914     -0.013069      0.062146
      3.85757      9.19542     10.71882         0.002375      0.078046     -0.043555
      3.65939     19.47321      8.27610        -0.033489     -0.062233     -0.264745
      4.31059     20.75114     12.67991        -0.065367     -0.100672     -0.071306
      2.84050     13.14835      3.74250        -0.082488      0.083162     -0.335803
     -0.04734     11.97460      0.34409        -0.064188     -0.275168     -0.250862
      2.37819      0.16459      4.81162        -0.052514      0.000491     -0.044664
      0.09182      2.32574      1.39155         0.065192     -0.055548      0.055168
      2.82762     14.62458     18.87207        -0.045209      0.050489      0.261290
      4.85485     11.68948      0.53025        -0.015612      0.214285     -0.019179
      3.18807      1.25686     -0.11020        -0.022252     -0.070519     -0.125756
      5.75775      1.91992      3.68950        -0.111565     -0.066603     -0.055603
     -0.63454     16.61104     16.12984        -0.096512      0.056758     -0.071404
     17.15647     15.07630     13.46199         0.159594      0.286631     -0.008244
     -0.11123      2.81451     17.24817         0.057996     -0.064431      0.169535
     18.40000      5.61562     14.77158         0.105257     -0.322637      0.055885
     20.91295     18.85033     11.37944         0.146322     -0.116637      0.274169
      1.95747     15.88241     14.12226        -0.073013      0.230990     -0.135111
      0.41190      4.94119     12.84560        -0.710526      0.070151     -0.712735
      3.69993      6.18627     15.86725        -0.441316     -0.566958     -0.314226
     18.26256     20.71235      8.03668        -0.111645     -0.004507     -0.128278
     16.24003     19.60426      4.00816         0.070745      0.197153     -0.001458
     17.74997      7.26154      9.83342        -0.205472      0.038010     -0.219328
     16.30965      9.86627      6.26402        -0.108991     -0.004521      0.079247
     18.66580      2.52074      3.24770         0.006874     -0.033389      0.157102
     20.69047     20.40728      5.66784         0.067997     -0.031649     -0.032644
     19.00259      9.23117      5.38580        -0.483894      0.055816     -0.895994
      0.46381     10.28075      8.97143         0.917715      0.776836      0.848228
     14.05678     17.30814      5.58502         0.050773      0.001814     -0.050468
     16.03555     16.34961      5.72271        -0.020214     -0.081804     -0.105535
     14.77976     16.04172      3.98163        -0.057950     -0.005910     -0.159480
     11.73775     15.23792     11.47521        -0.027001      0.201433     -0.016954
     11.44246     14.38909      9.49582        -0.024428     -0.084658      0.000700
     13.18410     13.80516     10.73624        -0.046901      0.032962     -0.031249
     11.94809     18.03064      7.08561        -0.012118      0.024791      0.171831
      9.92303     18.55979      6.40247        -0.011009     -0.069587      0.013111
     10.24050     16.86862      7.74032         0.010881      0.030655     -0.110764
     13.58194     18.53954      0.21032         0.224608     -0.061218      0.032034
     14.23652     17.04957      1.66985         0.094206     -0.084040     -0.038173
     12.23893     16.95605      0.76898        -0.019052      0.073371     -0.031010
     11.36384      0.14135     18.30026         0.046274     -0.039996     -0.179215
     13.08984     -0.63962     19.41529         0.025231      0.039767     -0.013534
     12.66349     19.94286     17.37528         0.156022     -0.015621      0.134160
      8.19845     19.30695      3.20177        -0.083609      0.099584      0.098210
      7.67594     18.58382      1.20795        -0.036004      0.098806      0.067797
      9.57632     18.02131      2.16633         0.003772      0.033251      0.019633
      7.57522      0.87982     20.09191        -0.102367     -0.061558      0.196366
      5.94021      1.10653     18.62684         0.105606     -0.005580      0.096969
      5.88246     20.79594     20.13754        -0.064364      0.049415     -0.108632
     10.65320      1.27616     13.49979         0.067106      0.007085      0.129669
     11.42116     -0.18241     14.94007        -0.264922      0.102872      0.057759
      9.41697     20.86860     14.05483         0.017048      0.117667     -0.018284
      8.94968      3.79247      9.54718        -0.017275      0.082990     -0.011961
     10.40753      2.98167     10.97731        -0.002027      0.012868      0.081695
     10.24413      2.14852      8.96118        -0.043247      0.014475      0.224868
      6.07020      1.95949     16.19893        -0.176604      0.085358      0.176085
      5.13593      1.20362     14.38879        -0.076239      0.122672      0.042277
      7.10300      0.51242     14.97903         0.002394      0.131044     -0.061808
      4.43252      5.09897     11.98912         0.116705      0.125946     -0.089779
      2.74256      3.76011     11.65769         0.017477      0.128310     -0.074657
      4.36855      3.20149     13.01772        -0.062712      0.228584     -0.218262
      7.35202      4.56529      5.46682        -0.057638      0.050712     -0.049752
      7.58307      2.97474      6.92709         0.228612      0.119206     -0.030826
      5.59107      3.49976      6.13328        -0.023854      0.012088     -0.182783
     -0.57307      7.25438      4.64317        -0.113838      0.063681      0.107200
      0.75947      7.22330      2.96885        -0.171855     -0.091141      0.283062
     -1.05424      5.93367      2.98660         0.058499      0.201660      0.105495
      3.00479      5.83519      9.90673        -0.134691     -0.104672      0.005216
      1.65485      4.59158      8.76615        -0.063514     -0.047081     -0.191186
      3.73528      4.77256      8.15155        -0.010280      0.123870      0.120847
      6.18687      6.84914      3.54232        -0.098980     -0.113641     -0.131655
      4.27298      7.60629      4.32500        -0.065144      0.048416     -0.161853
      4.93696      5.66626      4.91295         0.082408     -0.138063      0.122981
     -0.26122      8.47852     21.01524        -0.081840     -0.198547      0.152458
      1.35879      7.15660     -0.86574        -0.097422      0.068512     -0.057910
      0.04976      6.57995      0.75139         0.046313     -0.153835      0.080473
     19.47110      9.55547     19.24452        -0.054383      0.016446     -0.063511
     19.55612     10.25309     17.16536        -0.023043      0.132136     -0.097329
     18.12843      8.72603     17.74091        -0.083020     -0.064590      0.102852
      4.81900      8.41671     20.02097         0.282909      0.028287      0.137413
      3.64503      6.89373     19.10670        -0.113587     -0.132942      0.121415
      4.65610      8.32704     17.82577         0.082697      0.002239     -0.179963
      3.13445     11.68171     14.18192        -0.015074     -0.030814      0.039982
      2.62858     11.36042     16.28635         0.140652     -0.068366      0.059310
      4.09540     10.08760     15.31329        -0.045379      0.103892     -0.083651
     17.22869     11.26462     13.51175        -0.174964     -0.027851      0.195770
     18.70671      9.91672     12.73611        -0.133003      0.023913      0.028392
     18.09896      9.76121     14.84244        -0.093193      0.018805     -0.002085
     16.25465     14.22364      9.83123         0.081259      0.055752     -0.236117
     17.92525     14.87724      8.54134         0.063265      0.085386     -0.119301
     16.36524     13.65820      7.69896         0.006790      0.033336     -0.009083
      1.86719     12.63401     12.23267         0.074434      0.123296     -0.049213
      0.44714     11.14233     11.70454        -0.007843      0.005237      0.063208
      1.41808     12.30716     10.12996         0.023777      0.138494     -0.174243
      1.21765     15.81305      6.66620        -0.098627      0.009043     -0.001968
      0.30704     15.55957      8.65834         0.104345     -0.007881      0.047009
      1.84506     14.19444      7.99449         0.002741      0.053014     -0.187869
     17.97299     16.42151      2.46690         0.146568      0.093253     -0.036098
     19.41986     14.88313      3.02705         0.082772     -0.073072     -0.046938
     17.31013     14.73048      3.64895         0.009775      0.048726     -0.065211
 -----------------------------------------------------------------------------------
    total drift:                                0.013353     -0.001960     -0.007677


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4577.5770664725 eV

  energy  without entropy=    -4577.7307701678  energy(sigma->0) =    -4577.62830104
 
 d Force = 0.4848269E+00[ 0.161E+00, 0.809E+00]  d Energy = 0.4844551E+00 0.372E-03
 d Force = 0.6815142E+03[ 0.680E+03, 0.683E+03]  d Ewald  = 0.6815147E+03-0.425E-03


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.484455  1 .order   -0.484827   -0.808703   -0.160951
  (g-gl).g = 0.272E+01      g.g   = 0.273E+01  gl.gl    = 0.285E+01
 g(Force)  = 0.273E+01   g(Stress)= 0.000E+00 ortho     =-0.492E-02
 gamma     =   0.95274
 trial     =   0.29718
 opt step  =   0.37102  (harmonic =   0.37102) maximal distance =0.05636038
 next E    = -4577.597434   (d E  =  -0.50482)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   81(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3160
 total energy-change (2. order) : 0.5467968E-01  (-0.3692577E+01)
 number of electron    2498.0000024 magnetization 
 augmentation part      162.6737093 magnetization 

  free energy =  -0.457752238306E+04  energy without entropy=  -0.457767637402E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   81(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3528
 total energy-change (2. order) :-0.7543594E-01  (-0.9165030E-01)
 number of electron    2498.0000024 magnetization 
 augmentation part      162.6738232 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8712
  0.8712

  free energy =  -0.457759781900E+04  energy without entropy=  -0.457775159344E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   81(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3704
 total energy-change (2. order) : 0.2000334E-02  (-0.1786955E-02)
 number of electron    2498.0000024 magnetization 
 augmentation part      162.6721956 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4226
  1.0729  1.7723

  free energy =  -0.457759581867E+04  energy without entropy=  -0.457774983281E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   81(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3528
 total energy-change (2. order) :-0.7923723E-03  (-0.1494733E-02)
 number of electron    2498.0000024 magnetization 
 augmentation part      162.6711547 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2920
  2.1998  0.8381  0.8381

  free energy =  -0.457759661104E+04  energy without entropy=  -0.457775018756E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   81(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3672
 total energy-change (2. order) :-0.1093627E-03  (-0.2880297E-03)
 number of electron    2498.0000024 magnetization 
 augmentation part      162.6715691 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3304
  2.3975  1.0174  1.0174  0.8895

  free energy =  -0.457759672040E+04  energy without entropy=  -0.457775063651E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   81(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) : 0.9652210E-04  (-0.1511334E-03)
 number of electron    2498.0000024 magnetization 
 augmentation part      162.6713311 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2383
  2.4069  1.0751  1.0751  0.8171  0.8171

  free energy =  -0.457759662388E+04  energy without entropy=  -0.457775022034E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   81(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3496
 total energy-change (2. order) :-0.4354340E-05  (-0.2966465E-04)
 number of electron    2498.0000024 magnetization 
 augmentation part      162.6711938 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2192
  2.3847  0.9819  0.9819  1.1798  1.1798  0.6070

  free energy =  -0.457759662823E+04  energy without entropy=  -0.457775052542E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   81(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3392
 total energy-change (2. order) : 0.6474176E-05  (-0.4687101E-05)
 number of electron    2498.0000024 magnetization 
 augmentation part      162.6711938 magnetization 

  free energy =  -0.457759662176E+04  energy without entropy=  -0.457775041423E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0380       2 -56.1013       3 -55.9965       4 -55.8372       5 -55.8273
       6 -56.2790       7 -58.0994       8 -58.2134       9 -56.2525      10 -55.9251
      11 -56.0104      12 -55.8032      13 -55.7906      14 -55.9589      15 -58.0703
      16 -58.1115      17 -56.3676      18 -55.0166      19 -54.8936      20 -55.0730
      21 -55.6419      22 -55.5844      23 -55.5850      24 -55.6088      25 -55.0130
      26 -54.7494      27 -54.9138      28 -54.9277      29 -60.3857      30 -60.3760
      31 -55.6800      32 -55.7884      33 -55.7031      34 -55.4278      35 -55.5171
      36 -56.0020      37 -57.8020      38 -57.9483      39 -56.1013      40 -55.8113
      41 -55.9361      42 -55.6872      43 -55.7420      44 -55.9225      45 -58.0620
      46 -58.1342      47 -56.4713      48 -55.1502      49 -54.9431      50 -55.2807
      51 -55.8831      52 -55.8280      53 -55.7449      54 -55.7241      55 -55.0367
      56 -54.8381      57 -54.9765      58 -56.3562      59 -60.3481      60 -60.6176
      61 -55.9761      62 -56.0431      63 -55.9163      64 -55.7936      65 -55.7419
      66 -56.2050      67 -58.0245      68 -58.1273      69 -56.1847      70 -55.8811
      71 -55.9680      72 -55.6882      73 -55.6866      74 -55.9122      75 -58.0239
      76 -58.0703      77 -56.3081      78 -55.0687      79 -54.8833      80 -55.1727
      81 -55.7746      82 -55.7824      83 -55.8646      84 -55.8841      85 -55.2689
      86 -54.9966      87 -55.1998      88 -56.3853      89 -60.6560      90 -60.3838
      91 -55.7631      92 -55.8750      93 -55.7855      94 -55.5447      95 -55.6088
      96 -56.1208      97 -57.9116      98 -58.0016      99 -56.2175     100 -55.9133
     101 -56.0478     102 -55.7214     103 -55.7901     104 -56.0048     105 -58.0993
     106 -58.1406     107 -56.4269     108 -55.1737     109 -54.9466     110 -55.3703
     111 -55.8796     112 -55.8267     113 -55.7603     114 -55.7384     115 -55.0525
     116 -54.8433     117 -55.0216     118 -56.3177     119 -60.4076     120 -60.6071
     121 -55.9682     122 -55.9847     123 -55.8644     124 -55.7843     125 -55.7843
     126 -56.2065     127 -58.0576     128 -58.1599     129 -56.1769     130 -55.8113
     131 -55.9088     132 -55.7213     133 -55.6442     134 -55.8214     135 -57.9037
     136 -58.0271     137 -56.3591     138 -55.0563     139 -54.9172     140 -55.3276
     141 -55.8692     142 -55.7958     143 -55.8830     144 -55.8546     145 -55.2013
     146 -55.1028     147 -55.2778     148 -56.4043     149 -60.4976     150 -60.5581
     151 -55.6611     152 -55.7394     153 -55.5927     154 -55.4433     155 -55.4754
     156 -55.9234     157 -57.9149     158 -57.8977     159 -56.0031     160 -55.7480
     161 -55.9152     162 -55.5480     163 -55.5641     164 -55.7812     165 -57.9126
     166 -58.0782     167 -56.3540     168 -55.0463     169 -54.8086     170 -55.1850
     171 -55.8354     172 -55.8649     173 -55.8665     174 -55.7933     175 -55.2859
     176 -55.0091     177 -55.1129     178 -56.4875     179 -60.4554     180 -60.5604
     181 -55.8116     182 -56.0530     183 -55.9279     184 -55.6043     185 -55.6406
     186 -56.2008     187 -57.9556     188 -58.2044     189 -56.2381     190 -55.8616
     191 -56.0024     192 -55.7305     193 -55.7073     194 -55.9014     195 -58.0062
     196 -58.1537     197 -56.5253     198 -55.0939     199 -54.9433     200 -55.3120
     201 -55.8475     202 -55.8584     203 -55.9045     204 -55.8663     205 -55.1186
     206 -55.2143     207 -55.2100     208 -56.4783     209 -60.6964     210 -60.5104
     211 -56.0015     212 -56.0416     213 -55.9333     214 -55.8271     215 -55.7805
     216 -56.2984     217 -58.1526     218 -58.1121     219 -56.1632     220 -55.8389
     221 -55.9425     222 -55.5826     223 -55.5291     224 -55.8210     225 -57.9411
     226 -58.1266     227 -56.4964     228 -55.0550     229 -54.9322     230 -55.2399
     231 -55.7580     232 -55.7667     233 -55.7207     234 -55.7332     235 -55.0245
     236 -55.0995     237 -55.2295     238 -56.4671     239 -60.3540     240 -60.4004
     241 -56.0012     242 -56.0380     243 -55.9168     244 -55.7819     245 -55.7780
     246 -56.2198     247 -58.0633     248 -58.1449     249 -56.2066     250 -55.8815
     251 -55.9819     252 -55.7598     253 -55.7562     254 -55.9359     255 -57.9840
     256 -58.0556     257 -56.3427     258 -55.0734     259 -54.8651     260 -55.2434
     261 -55.7800     262 -55.7715     263 -55.8508     264 -55.8882     265 -55.2607
     266 -54.9691     267 -55.1895     268 -56.3717     269 -60.5923     270 -60.3644
     271 -55.8787     272 -55.9437     273 -55.7994     274 -55.6782     275 -55.6246
     276 -56.0403     277 -58.0765     278 -58.0798     279 -55.9293     280 -55.6450
     281 -55.7546     282 -55.5048     283 -55.5367     284 -55.7981     285 -57.9955
     286 -57.9618     287 -56.3616     288 -55.0652     289 -54.8686     290 -55.1921
     291 -55.8208     292 -55.7801     293 -55.8398     294 -55.8380     295 -55.2006
     296 -54.9641     297 -55.0487     298 -56.4154     299 -60.5234     300 -60.5355
     301 -55.8804     302 -56.0280     303 -55.9339     304 -55.6536     305 -55.6795
     306 -56.2020     307 -58.0290     308 -58.2311     309 -56.2328     310 -55.9131
     311 -55.9888     312 -55.7040     313 -55.6916     314 -55.8756     315 -57.9630
     316 -58.0945     317 -56.3936     318 -55.0276     319 -54.8575     320 -55.2796
     321 -55.7854     322 -55.7541     323 -55.8761     324 -55.8860     325 -55.2117
     326 -55.1012     327 -55.2547     328 -56.4278     329 -60.5568     330 -60.4687
     331 -55.7068     332 -55.7488     333 -55.6266     334 -55.5442     335 -55.5281
     336 -55.9580     337 -57.9188     338 -57.9050     339 -55.8713     340 -55.5955
     341 -55.7080     342 -55.4584     343 -55.4714     344 -55.6984     345 -57.9421
     346 -57.9516     347 -56.4454     348 -55.0160     349 -54.9754     350 -55.2905
     351 -55.8026     352 -55.7509     353 -55.7499     354 -55.7471     355 -55.1897
     356 -54.9632     357 -55.0385     358 -56.4371     359 -60.4872     360 -60.5257
     361 -39.0531     362 -38.7772     363 -38.9141     364 -39.0073     365 -38.9336
     366 -38.7063     367 -38.1155     368 -38.0840     369 -38.1197     370 -38.1464
     371 -38.1381     372 -38.1969     373 -38.7152     374 -38.3441     375 -38.6885
     376 -38.8447     377 -38.8016     378 -38.7456     379 -38.1365     380 -38.1324
     381 -38.2855     382 -38.0067     383 -38.2383     384 -37.9456     385 -38.8844
     386 -38.8091     387 -38.9270     388 -38.8791     389 -38.8460     390 -38.5500
     391 -38.2550     392 -38.2415     393 -38.2251     394 -38.2680     395 -38.1636
     396 -38.3208     397 -38.7429     398 -38.4857     399 -38.7931     400 -38.8938
     401 -38.8000     402 -38.7729     403 -38.1831     404 -38.1622     405 -38.4320
     406 -37.9821     407 -38.0548     408 -37.9390     409 -38.7818     410 -38.7854
     411 -38.9438     412 -38.7309     413 -38.9261     414 -38.6542     415 -38.1983
     416 -38.2883     417 -38.2761     418 -38.2552     419 -38.2454     420 -38.3496
     421 -38.6241     422 -38.3496     423 -38.5742     424 -38.7641     425 -38.5716
     426 -38.5652     427 -38.2526     428 -38.0196     429 -38.2957     430 -38.2463
     431 -38.1315     432 -38.0373     433 -38.7507     434 -38.6306     435 -38.9044
     436 -38.7015     437 -38.9123     438 -38.6841     439 -38.3398     440 -38.1229
     441 -38.1887     442 -38.1683     443 -38.1659     444 -38.1169     445 -38.8402
     446 -38.8507     447 -38.9762     448 -38.7038     449 -38.7892     450 -38.3716
     451 -38.0573     452 -37.9472     453 -38.1319     454 -37.9799     455 -38.1420
     456 -38.2247     457 -38.9671     458 -38.7282     459 -38.8798     460 -38.9169
     461 -38.8745     462 -38.7181     463 -38.1596     464 -38.2477     465 -38.1718
     466 -38.3660     467 -38.1583     468 -38.3643     469 -38.8789     470 -38.6575
     471 -38.7333     472 -38.8204     473 -38.5975     474 -38.5153     475 -38.2941
     476 -38.0485     477 -38.2463     478 -38.2005     479 -38.1623     480 -37.9297
     481 -38.8948     482 -38.7243     483 -38.9330     484 -38.8595     485 -38.9389
     486 -38.7452     487 -38.1346     488 -38.2139     489 -38.3109     490 -38.3582
     491 -38.2347     492 -38.3514     493 -38.7934     494 -38.5088     495 -38.6159
     496 -38.8194     497 -38.4884     498 -38.4754     499 -38.1729     500 -37.9685
     501 -38.3110     502 -38.1521     503 -38.1155     504 -38.0075     505 -38.2676
     506 -41.0688     507 -71.6643     508 -71.6328     509 -71.3321     510 -71.5971
     511 -71.5756     512 -71.5212     513 -71.4127     514 -71.5545     515 -71.5450
     516 -71.4412     517 -71.4401     518 -71.4650     519 -71.5271     520 -71.6161
     521 -71.5390     522 -71.4962     523 -71.5430     524 -71.4851     525 -71.5569
     526 -71.4073     527 -71.6450     528 -71.5300     529 -71.2172     530 -71.3799
     531 -76.8725     532 -76.7191     533 -76.7567     534 -76.7071     535 -76.6084
     536 -76.4558     537 -76.8098     538 -76.6761     539 -76.6941     540 -76.6249
     541 -76.7199     542 -76.6521     543 -76.6421     544 -76.5907     545 -76.7776
     546 -76.6981     547 -76.8189     548 -76.7038     549 -76.6782     550 -76.5502
     551 -76.5176     552 -76.5855     553 -76.7345     554 -76.5703     555 -76.7803
     556 -76.6904     557 -76.7844     558 -76.6533     559 -76.7072     560 -76.8448
     561 -76.7749     562 -76.5578     563 -76.7870     564 -76.6909     565 -76.7250
     566 -76.5856     567 -76.7022     568 -76.7505     569 -76.7246     570 -76.6222
     571 -76.8681     572 -76.6899     573 -76.7410     574 -76.6195     575 -76.5272
     576 -76.5466     577 -76.7275     578 -76.7223     579 -82.3100     580 -82.2764
     581 -82.3462     582 -82.3525     583 -82.3041     584 -82.2479     585 -82.4889
     586 -82.5371     587 -82.5409     588 -82.2269     589 -82.1924     590 -82.2482
     591 -82.3184     592 -82.1968     593 -82.3331     594 -82.6768     595 -82.5586
     596 -82.4979     597 -82.5380     598 -82.4701     599 -82.5871     600 -82.2972
     601 -82.0881     602 -82.3132     603 -82.4807     604 -82.4564     605 -82.4310
     606 -82.4791     607 -82.2723     608 -82.3539     609 -82.7079     610 -82.3060
     611 -82.3031     612 -82.4270     613 -82.3844     614 -82.2174     615 -82.6786
     616 -82.4309     617 -82.4169     618 -82.5984     619 -82.7505     620 -82.6512
     621 -82.1742     622 -82.3800     623 -82.3173     624 -82.1786     625 -82.2772
     626 -82.3047     627 -82.1731     628 -82.2590     629 -82.3376     630 -82.4393
     631 -82.6017     632 -82.3791     633 -82.4672     634 -82.4396     635 -82.4554
     636 -82.4146     637 -82.4216     638 -82.3468     639 -82.2772     640 -82.4793
     641 -82.4546     642 -82.3648     643 -82.5137     644 -82.4248     645 -82.4550
     646 -82.3955     647 -82.5027     648 -82.3705     649 -82.4189     650 -82.3338
 
 
 
 E-fermi :  -1.4824     XC(G=0):  -6.5311     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.0751      2.00000
      2     -28.9390      2.00000
      3     -28.9197      2.00000
      4     -28.9110      2.00000
      5     -28.8768      2.00000
      6     -28.8453      2.00000
      7     -28.8400      2.00000
      8     -28.8250      2.00000
      9     -28.8015      2.00000
     10     -28.7636      2.00000
     11     -28.7597      2.00000
     12     -28.7433      2.00000
     13     -28.7359      2.00000
     14     -28.7355      2.00000
     15     -28.7256      2.00000
     16     -28.7024      2.00000
     17     -28.6651      2.00000
     18     -28.6619      2.00000
     19     -28.6617      2.00000
     20     -28.6003      2.00000
     21     -28.5857      2.00000
     22     -28.5828      2.00000
     23     -28.5755      2.00000
     24     -28.5337      2.00000
     25     -26.7757      2.00000
     26     -26.7267      2.00000
     27     -26.6745      2.00000
     28     -26.6575      2.00000
     29     -26.6098      2.00000
     30     -26.5890      2.00000
     31     -26.5773      2.00000
     32     -26.5719      2.00000
     33     -26.5677      2.00000
     34     -26.5583      2.00000
     35     -26.5516      2.00000
     36     -26.5454      2.00000
     37     -26.5438      2.00000
     38     -26.5330      2.00000
     39     -26.5238      2.00000
     40     -26.5194      2.00000
     41     -26.5177      2.00000
     42     -26.5142      2.00000
     43     -26.5029      2.00000
     44     -26.4780      2.00000
     45     -26.4570      2.00000
     46     -26.4567      2.00000
     47     -26.4514      2.00000
     48     -26.4338      2.00000
     49     -26.4211      2.00000
     50     -26.4161      2.00000
     51     -26.4115      2.00000
     52     -26.4108      2.00000
     53     -26.3899      2.00000
     54     -26.3879      2.00000
     55     -26.3824      2.00000
     56     -26.3747      2.00000
     57     -26.3542      2.00000
     58     -26.3434      2.00000
     59     -26.3390      2.00000
     60     -26.3375      2.00000
     61     -26.3271      2.00000
     62     -26.3201      2.00000
     63     -26.3033      2.00000
     64     -26.3032      2.00000
     65     -26.2993      2.00000
     66     -26.2955      2.00000
     67     -26.2902      2.00000
     68     -26.2784      2.00000
     69     -26.2330      2.00000
     70     -26.2310      2.00000
     71     -26.2278      2.00000
     72     -26.1421      2.00000
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   1218      -2.3692      2.00000
   1219      -2.3662      2.00000
   1220      -2.3650      2.00000
   1221      -2.3547      2.00000
   1222      -2.3504      2.00000
   1223      -2.3459      2.00000
   1224      -2.3423      2.00000
   1225      -2.3320      2.00000
   1226      -2.3208      2.00000
   1227      -2.2990      2.00000
   1228      -2.2857      2.00000
   1229      -2.2836      2.00000
   1230      -2.2785      2.00000
   1231      -2.2717      2.00000
   1232      -2.2678      2.00000
   1233      -2.2489      2.00000
   1234      -2.2379      2.00000
   1235      -2.2261      2.00000
   1236      -2.2182      2.00000
   1237      -2.1923      2.00001
   1238      -1.7959      2.04916
   1239      -1.7537      2.06649
   1240      -1.7369      2.07026
   1241      -1.7293      2.07089
   1242      -1.7139      2.06938
   1243      -1.6877      2.05527
   1244      -1.6613      2.02074
   1245      -1.6462      1.98956
   1246      -1.6329      1.95376
   1247      -1.6299      1.94445
   1248      -1.6147      1.89126
   1249      -1.5978      1.81877
   1250       0.1523     -0.00000
   1251       0.1653     -0.00000
   1252       0.2088     -0.00000
   1253       0.2487     -0.00000
   1254       0.2573     -0.00000
   1255       0.2692     -0.00000
   1256       0.3036     -0.00000
   1257       0.3135     -0.00000
   1258       0.3385     -0.00000
   1259       0.3465     -0.00000
   1260       0.4094     -0.00000
   1261       0.4244     -0.00000
   1262       0.6357     -0.00000
   1263       0.6411     -0.00000
   1264       0.6860     -0.00000
   1265       0.7015     -0.00000
   1266       0.7386     -0.00000
   1267       0.7493     -0.00000
   1268       0.7799     -0.00000
   1269       0.7846     -0.00000
   1270       0.8084     -0.00000
   1271       0.8227     -0.00000
   1272       0.8639     -0.00000
   1273       0.8671     -0.00000
   1274       0.8819     -0.00000
   1275       0.9080     -0.00000
   1276       0.9124     -0.00000
   1277       0.9258     -0.00000
   1278       0.9558     -0.00000
   1279       1.0091     -0.00000
   1280       1.0117     -0.00000
   1281       1.0157     -0.00000
   1282       1.0685     -0.00000
   1283       1.1095     -0.00000
   1284       1.1210     -0.00000
   1285       1.2316     -0.00000
   1286       1.2494     -0.00000
   1287       1.2677     -0.00000
   1288       1.3202     -0.00000
   1289       1.3850     -0.00000
   1290       1.4002     -0.00000
   1291       1.4523     -0.00000
   1292       1.5067     -0.00000
   1293       1.5242     -0.00000
   1294       1.5670     -0.00000
   1295       1.5951     -0.00000
   1296       1.6161     -0.00000
   1297       1.6655     -0.00000
   1298       1.8156     -0.00000
   1299       1.8580     -0.00000
   1300       1.8708     -0.00000
   1301       1.8949     -0.00000
   1302       1.9117     -0.00000
   1303       1.9411     -0.00000
   1304       1.9849     -0.00000
   1305       2.0027     -0.00000
   1306       2.0260     -0.00000
   1307       2.0366     -0.00000
   1308       2.0610     -0.00000
   1309       2.0976     -0.00000
   1310       2.1153     -0.00000
   1311       2.1234     -0.00000
   1312       2.1552     -0.00000
   1313       2.1702     -0.00000
   1314       2.1809     -0.00000
   1315       2.2036     -0.00000
   1316       2.2109     -0.00000
   1317       2.2276     -0.00000
   1318       2.2298     -0.00000
   1319       2.2410     -0.00000
   1320       2.2683     -0.00000
   1321       2.3322     -0.00000
   1322       2.4278     -0.00000
   1323       2.4400     -0.00000
   1324       2.4468     -0.00000
   1325       2.4721     -0.00000
   1326       2.5013     -0.00000
   1327       2.5038     -0.00000
   1328       2.5274     -0.00000
   1329       2.5379     -0.00000
   1330       2.5448     -0.00000
   1331       2.5489     -0.00000
   1332       2.5652     -0.00000
   1333       2.5826     -0.00000
   1334       2.5922     -0.00000
   1335       2.6220     -0.00000
   1336       2.6310     -0.00000
   1337       2.6421     -0.00000
   1338       2.6500     -0.00000
   1339       2.6566     -0.00000
   1340       2.6740     -0.00000
   1341       2.6822     -0.00000
   1342       2.6952     -0.00000
   1343       2.7377     -0.00000
   1344       2.7757     -0.00000
   1345       2.8298     -0.00000
   1346       2.9534     -0.00000
   1347       2.9818     -0.00000
   1348       3.0033     -0.00000
   1349       3.0130     -0.00000
   1350       3.0297     -0.00000
   1351       3.0530     -0.00000
   1352       3.0569     -0.00000
   1353       3.0871     -0.00000
   1354       3.1076     -0.00000
   1355       3.1268     -0.00000
   1356       3.1470     -0.00000
   1357       3.1611     -0.00000
   1358       3.1656     -0.00000
   1359       3.1810     -0.00000
   1360       3.2229     -0.00000
   1361       3.2508     -0.00000
   1362       3.2989     -0.00000
   1363       3.4302     -0.00000
   1364       3.5232     -0.00000
   1365       3.5426     -0.00000
   1366       3.5936     -0.00000
   1367       3.6374     -0.00000
   1368       3.6948     -0.00000
   1369       3.7113     -0.00000
   1370       3.7524     -0.00000
   1371       3.7845     -0.00000
   1372       3.8028     -0.00000
   1373       3.8426      0.00000
   1374       3.8560      0.00000
   1375       3.8669      0.00000
   1376       3.8858      0.00000
   1377       3.9068      0.00000
   1378       3.9206      0.00000
   1379       3.9326      0.00000
   1380       3.9429      0.00000
   1381       3.9501      0.00000
   1382       3.9578      0.00000
   1383       3.9701      0.00000
   1384       3.9847      0.00000
   1385       3.9930      0.00000
   1386       4.0167      0.00000
   1387       4.0225      0.00000
   1388       4.0328      0.00000
   1389       4.0452      0.00000
   1390       4.0574      0.00000
   1391       4.0694      0.00000
   1392       4.0793      0.00000
   1393       4.0951      0.00000
   1394       4.0991      0.00000
   1395       4.1091      0.00000
   1396       4.1220      0.00000
   1397       4.1450      0.00000
   1398       4.1583      0.00000
   1399       4.1657      0.00000
   1400       4.1708      0.00000
   1401       4.1928      0.00000
   1402       4.1942      0.00000
   1403       4.2098      0.00000
   1404       4.2273      0.00000
   1405       4.2400      0.00000
   1406       4.2456      0.00000
   1407       4.2566      0.00000
   1408       4.2880      0.00000
   1409       4.3082      0.00000
   1410       4.3277      0.00000
   1411       4.3304      0.00000
   1412       4.3429      0.00000
   1413       4.3574      0.00000
   1414       4.3613      0.00000
   1415       4.3827      0.00000
   1416       4.3933      0.00000
   1417       4.4185      0.00000
   1418       4.4226      0.00000
   1419       4.4393      0.00000
   1420       4.4476      0.00000
   1421       4.4495      0.00000
   1422       4.4600      0.00000
   1423       4.4820      0.00000
   1424       4.5080      0.00000
   1425       4.5260      0.00000
   1426       4.5338      0.00000
   1427       4.5509      0.00000
   1428       4.5600      0.00000
   1429       4.5889      0.00000
   1430       4.6083      0.00000
   1431       4.6352      0.00000
   1432       4.6459      0.00000
   1433       4.6766      0.00000
   1434       4.7076      0.00000
   1435       4.7276      0.00000
   1436       4.7720      0.00000
   1437       4.7822      0.00000
   1438       4.7945      0.00000
   1439       4.8241      0.00000
   1440       4.8371      0.00000
   1441       4.8634      0.00000
   1442       4.8699      0.00000
   1443       4.9179      0.00000
   1444       4.9199      0.00000
   1445       4.9206      0.00000
   1446       4.9366      0.00000
   1447       4.9582      0.00000
   1448       4.9765      0.00000
   1449       5.0008      0.00000
   1450       5.0134      0.00000
   1451       5.0409      0.00000
   1452       5.0455      0.00000
   1453       5.0649      0.00000
   1454       5.0819      0.00000
   1455       5.0924      0.00000
   1456       5.1022      0.00000
   1457       5.1399      0.00000
   1458       5.1477      0.00000
   1459       5.1551      0.00000
   1460       5.1831      0.00000
   1461       5.1878      0.00000
   1462       5.2081      0.00000
   1463       5.2311      0.00000
   1464       5.2359      0.00000
   1465       5.2486      0.00000
   1466       5.2609      0.00000
   1467       5.2661      0.00000
   1468       5.2766      0.00000
   1469       5.2910      0.00000
   1470       5.3157      0.00000
   1471       5.3182      0.00000
   1472       5.3275      0.00000
   1473       5.3323      0.00000
   1474       5.3421      0.00000
   1475       5.3502      0.00000
   1476       5.3529      0.00000
   1477       5.3676      0.00000
   1478       5.3751      0.00000
   1479       5.3902      0.00000
   1480       5.3970      0.00000
   1481       5.4063      0.00000
   1482       5.4108      0.00000
   1483       5.4191      0.00000
   1484       5.4360      0.00000
   1485       5.4411      0.00000
   1486       5.4485      0.00000
   1487       5.4577      0.00000
   1488       5.4683      0.00000
   1489       5.4762      0.00000
   1490       5.4858      0.00000
   1491       5.4959      0.00000
   1492       5.5060      0.00000
   1493       5.5136      0.00000
   1494       5.5230      0.00000
   1495       5.5261      0.00000
   1496       5.5308      0.00000
   1497       5.5382      0.00000
   1498       5.5512      0.00000
   1499       5.5524      0.00000
   1500       5.5615      0.00000
   1501       5.5764      0.00000
   1502       5.5834      0.00000
   1503       5.5986      0.00000
   1504       5.6088      0.00000
   1505       5.6162      0.00000
   1506       5.6215      0.00000
   1507       5.6320      0.00000
   1508       5.6335      0.00000
   1509       5.6375      0.00000
   1510       5.6446      0.00000
   1511       5.6555      0.00000
   1512       5.6562      0.00000
   1513       5.6750      0.00000
   1514       5.6805      0.00000
   1515       5.6990      0.00000
   1516       5.7181      0.00000
   1517       5.7192      0.00000
   1518       5.7278      0.00000
   1519       5.7335      0.00000
   1520       5.7419      0.00000
   1521       5.7530      0.00000
   1522       5.7583      0.00000
   1523       5.7712      0.00000
   1524       5.7868      0.00000
   1525       5.7958      0.00000
   1526       5.7968      0.00000
   1527       5.8108      0.00000
   1528       5.8196      0.00000
   1529       5.8324      0.00000
   1530       5.8349      0.00000
   1531       5.8469      0.00000
   1532       5.8574      0.00000
   1533       5.8701      0.00000
   1534       5.8727      0.00000
   1535       5.8860      0.00000
   1536       5.8973      0.00000
   1537       5.9040      0.00000
   1538       5.9099      0.00000
   1539       5.9225      0.00000
   1540       5.9320      0.00000
   1541       5.9495      0.00000
   1542       5.9572      0.00000
   1543       5.9689      0.00000
   1544       5.9777      0.00000
   1545       5.9822      0.00000
   1546       5.9868      0.00000
   1547       5.9949      0.00000
   1548       6.0069      0.00000
   1549       6.0252      0.00000
   1550       6.0325      0.00000
   1551       6.0349      0.00000
   1552       6.0409      0.00000
   1553       6.0467      0.00000
   1554       6.0588      0.00000
   1555       6.0693      0.00000
   1556       6.0757      0.00000
   1557       6.0837      0.00000
   1558       6.1019      0.00000
   1559       6.1045      0.00000
   1560       6.1148      0.00000
   1561       6.1226      0.00000
   1562       6.1289      0.00000
   1563       6.1412      0.00000
   1564       6.1516      0.00000
   1565       6.1564      0.00000
   1566       6.1682      0.00000
   1567       6.1787      0.00000
   1568       6.1890      0.00000
   1569       6.1983      0.00000
   1570       6.2042      0.00000
   1571       6.2171      0.00000
   1572       6.2196      0.00000
   1573       6.2238      0.00000
   1574       6.2298      0.00000
   1575       6.2397      0.00000
   1576       6.2575      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.088  13.412  -0.001   0.001  -0.000   0.002  -0.004   0.001
 13.412  17.831  -0.001   0.002  -0.000   0.002  -0.006   0.001
 -0.001  -0.001  -4.233   0.003   0.001   8.279  -0.005  -0.001
  0.001   0.002   0.003  -4.233   0.001  -0.005   8.278  -0.001
 -0.000  -0.000   0.001   0.001  -4.226  -0.001  -0.001   8.269
  0.002   0.002   8.279  -0.005  -0.001 -18.323   0.007   0.001
 -0.004  -0.006  -0.005   8.278  -0.001   0.007 -18.319   0.000
  0.001   0.001  -0.001  -0.001   8.269   0.001   0.000 -18.312
 total augmentation occupancy for first ion, spin component:           1
  8.464  -3.813   0.183   0.143  -0.071   0.023   0.027  -0.011
 -3.813   1.790  -0.092  -0.098   0.044  -0.010  -0.016   0.006
  0.183  -0.092   1.774  -0.063  -0.037   0.168  -0.012  -0.007
  0.143  -0.098  -0.063   1.904  -0.097  -0.012   0.178  -0.013
 -0.071   0.044  -0.037  -0.097   1.231  -0.007  -0.013   0.081
  0.023  -0.010   0.168  -0.012  -0.007   0.018  -0.002  -0.001
  0.027  -0.016  -0.012   0.178  -0.013  -0.002   0.018  -0.002
 -0.011   0.006  -0.007  -0.013   0.081  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -49141.75484 84635.11955 19428.21341 -9462.96201  6118.90053 18007.62796
  Hartree  6628.62364111595.76488 57229.21297 -9910.50631  4091.47687 12216.60027
  E(xc)  -10735.50935-10587.61453-10629.52474     2.77693     8.31108    33.84098
  Local    9080.81709************************ 19372.92751-10228.64954-29605.46825
  n-local -5841.50065 -5981.54566 -6036.77579     5.36215    16.39300   -67.66797
  augment  1493.66440  1535.18306  1487.08403     4.37077    12.36666    -4.17142
  Kinetic 45482.96412 43258.52827 43656.56116   -34.94497   -69.46033  -586.02412
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -124.8368796   -393.6266509   -153.1359729    -22.9759317    -50.6617391     -5.2625498
  in kB      -20.8175489    -65.6403948    -25.5366492     -3.8314205     -8.4482505     -0.8775723
  external PRESSURE =     -37.3315310 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.222E+03 -.103E+03 0.240E+03   0.222E+03 0.104E+03 -.241E+03   -.317E+00 -.737E+00 0.152E+01   0.136E-02 0.220E-03 0.538E-03
   -.177E+03 -.131E+03 0.573E+02   0.177E+03 0.132E+03 -.569E+02   0.250E+00 -.117E+01 -.259E+00   0.823E-03 0.677E-03 0.102E-02
   -.145E+03 -.122E+03 0.497E+01   0.145E+03 0.123E+03 -.338E+01   0.332E+00 -.115E+01 -.168E+01   0.936E-03 0.380E-03 0.102E-02
   -.204E+03 -.908E+02 0.328E+03   0.205E+03 0.909E+02 -.330E+03   -.196E+00 -.216E-01 0.254E+01   0.231E-02 -.182E-03 0.753E-03
   -.155E+03 -.143E+03 0.292E+03   0.155E+03 0.144E+03 -.293E+03   0.148E+00 -.870E+00 0.969E+00   0.256E-02 0.395E-03 0.138E-02
   -.131E+03 -.108E+03 0.167E+03   0.131E+03 0.108E+03 -.167E+03   0.131E+00 -.203E+00 0.131E+00   0.161E-02 0.496E-03 0.119E-02
   -.222E+03 -.130E+03 0.170E+03   0.221E+03 0.134E+03 -.171E+03   0.474E+00 -.456E+01 0.986E+00   0.831E-03 0.289E-03 -.472E-03
   -.174E+03 -.101E+03 0.314E+02   0.175E+03 0.105E+03 -.335E+02   -.509E+00 -.405E+01 0.209E+01   -.749E-04 0.104E-02 0.124E-02
   -.920E+02 0.363E+01 0.194E+03   0.920E+02 -.364E+01 -.194E+03   0.115E+00 -.297E-01 0.166E+00   0.138E-02 0.712E-03 0.713E-03
   -.743E+02 0.885E+02 0.601E+02   0.740E+02 -.901E+02 -.590E+02   0.376E+00 0.160E+01 -.115E+01   0.105E-02 -.526E-04 0.465E-03
   -.755E+02 0.102E+03 0.129E+03   0.752E+02 -.104E+03 -.129E+03   0.338E+00 0.107E+01 0.614E-01   0.122E-02 -.394E-03 -.219E-03
   -.917E+02 -.538E+01 0.326E+03   0.918E+02 0.507E+01 -.327E+03   -.377E-01 0.362E+00 0.117E+01   0.146E-02 0.117E-02 0.435E-03
   -.994E+02 -.490E+02 0.354E+03   0.997E+02 0.500E+02 -.356E+03   -.172E+00 -.932E+00 0.234E+01   0.120E-02 0.109E-02 -.451E-03
   -.994E+02 0.152E+02 0.295E+03   0.995E+02 -.152E+02 -.296E+03   -.136E+00 0.614E-01 0.166E+01   0.137E-02 0.442E-03 -.847E-03
   -.903E+02 0.974E+02 0.260E+03   0.897E+02 -.101E+03 -.263E+03   0.769E+00 0.384E+01 0.242E+01   0.192E-02 0.915E-03 -.212E-02
   -.715E+02 0.113E+03 0.969E+02   0.713E+02 -.116E+03 -.100E+03   0.202E+00 0.302E+01 0.354E+01   0.153E-02 -.767E-03 -.660E-03
   -.582E+02 0.974E+02 0.447E+02   0.586E+02 -.929E+02 -.403E+02   -.560E+00 -.476E+01 -.433E+01   0.160E-02 -.928E-03 -.567E-03
   0.872E+01 0.198E+03 -.154E+03   -.928E+01 -.200E+03 0.156E+03   0.587E+00 0.200E+01 -.200E+01   0.121E-02 -.167E-02 0.870E-03
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 -----------------------------------------------------------------------------------------------
   0.341E+02 0.576E+01 -.150E+02   0.107E-10 0.176E-11 0.904E-11   -.341E+02 -.570E+01 0.149E+02   -.251E-01 -.704E-01 0.837E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.20101      3.15947      1.33820        -0.057453     -0.199795      0.000094
     12.95352      3.59619      2.63445        -0.012931      0.053765      0.155359
     12.88981      4.95399      2.95788        -0.023221      0.120568     -0.084661
     13.24911      4.07096      0.29137         0.099802      0.057810     -0.019198
     13.12407      5.43243      0.60060         0.119316     -0.070915     -0.161247
     13.01593      5.92750      1.92476         0.035346     -0.084124      0.067676
     13.31795      1.67345      1.35575         0.164190     -0.341261     -0.339916
     12.75160      2.38843      3.49721         0.114032     -0.027734      0.007488
     13.09235      7.40650      2.20453         0.031764     -0.031950      0.066522
     13.09296      7.93215      3.52501         0.024396     -0.010477     -0.018722
     13.30573      9.29817      3.72533         0.051619     -0.130175     -0.047896
     13.25861      8.33933      1.14749         0.065677      0.053699     -0.068247
     13.47458      9.70656      1.35455         0.080927      0.112645      0.029323
     13.51824     10.17276      2.66582        -0.034186      0.070538      0.124765
     13.76825     11.53746      3.21747         0.131122      0.206990     -0.332355
     13.38498     10.07900      4.99611         0.018852     -0.162201      0.250861
     13.75474     12.53633      5.56847        -0.095639     -0.243907      0.039280
     13.48675     12.38292      6.93574         0.033996      0.134945      0.237682
     13.56169     13.48482      7.79633        -0.021961     -0.074085     -0.153567
     14.10729     13.82126      5.13803        -0.103709     -0.004836      0.232842
     14.17363     14.91566      6.00888        -0.128858      0.067767      0.374563
     13.86666     14.80584      7.41405        -0.001949     -0.189429     -0.140867
     13.90675     15.91927      8.44487         0.042497      0.102889      0.148896
     13.21417     15.99197      9.71076        -0.014871     -0.178419     -0.054116
     13.27816     17.15316     10.50276        -0.025868     -0.252717     -0.053087
     14.71254     17.04620      8.18307         0.030220     -0.140572      0.066480
     14.72480     18.21193      8.94009         0.048045     -0.076579     -0.068461
     13.97366     18.28580     10.10084         0.028654     -0.000954      0.006853
     12.39701     14.87061     10.33103         0.030909      0.080063      0.060956
     14.72611     16.14623      5.32827        -0.045777     -0.006014      0.112505
      9.87301      3.84677      4.68977        -0.008258     -0.105689     -0.055537
      9.70892      4.76513      3.65539         0.011924     -0.013419     -0.068202
      9.71973      6.15168      3.89440         0.057984     -0.135019      0.119857
     10.14862      4.27751      5.98573         0.021251      0.016515     -0.234092
     10.23428      5.65422      6.21211         0.009078     -0.173021      0.028759
      9.98604      6.63164      5.20992         0.094138      0.073128     -0.052360
      9.68297      2.46110      4.15770        -0.031780     -0.081509      0.072555
      9.57422      3.97788      2.37211        -0.020504     -0.009852      0.294869
     10.04516      8.09953      5.58199         0.011787     -0.123468      0.034425
     10.05639      9.15368      4.63274         0.061603      0.119915      0.080251
     10.16204     10.47895      5.07246         0.071360     -0.097089     -0.160314
     10.09090      8.48469      6.94969        -0.068945     -0.059351      0.038611
     10.16375      9.81289      7.38470        -0.009913      0.100989     -0.014656
     10.21744     10.81915      6.42282        -0.012942      0.002508     -0.227661
     10.28803     12.30243      6.53020        -0.069689      0.499102      0.531172
     10.25159     11.74082      4.27119        -0.121449     -0.051676      0.007145
     10.68535     14.19421      4.83385         0.070440     -0.215593     -0.139298
     11.23188     14.51900      3.58285         0.064275      0.071306      0.121666
     11.60507     15.83702      3.30040        -0.016194     -0.120055     -0.052901
     10.54083     15.26112      5.73167         0.184744      0.102829     -0.024063
     10.94982     16.58096      5.44468         0.027323      0.039519      0.003407
     11.52996     16.94806      4.16966         0.142765     -0.062640     -0.169129
     12.06211     18.31649      3.70015         0.008228      0.006656      0.118362
     12.68891     18.70109      2.44954        -0.061585      0.060836     -0.086182
     12.99614     20.04862      2.17836        -0.131141     -0.044320     -0.060102
     11.94020     19.42172      4.56928        -0.041111      0.119585      0.037924
     12.22064     20.76180      4.30418         0.017924     -0.046648     -0.053846
     12.73327     21.11217      3.05275        -0.080711      0.330604      0.094052
     13.18209     17.81442      1.29504        -0.251204      0.020021      0.071688
     10.76867     17.50100      6.64503         0.004418     -0.137316      0.105874
     10.64541      7.07873     14.82232        -0.138117     -0.365965      0.042755
     10.56288      7.50139     16.14535         0.007977     -0.234933      0.173647
     10.57215      8.85411     16.48706         0.027774      0.471495     -0.014980
     10.63547      8.00235     13.78491         0.037493     -0.042948      0.078837
     10.58406      9.35766     14.12385         0.073271     -0.071354     -0.193823
     10.60250      9.84409     15.45228         0.001048     -0.332209      0.329154
     10.61476      5.58585     14.79274         0.137156     -0.634711     -0.788254
     10.39567      6.26999     16.99758        -0.029783     -0.201299      1.286870
     10.64547     11.32830     15.70759         0.041484      0.236431      0.034002
     10.71664     11.93170     16.99696         0.023986     -0.094928     -0.019397
     10.78514     13.32690     17.10484         0.028595     -0.100937      0.091518
     10.65498     12.22017     14.60318         0.042188      0.137591     -0.155331
     10.76681     13.61107     14.71039         0.038442      0.083916      0.063041
     10.82843     14.16032     15.98891         0.015200      0.088623      0.037753
     10.93151     15.58180     16.44531         0.138977      0.226462     -0.261975
     10.82021     14.19733     18.32616         0.028441     -0.070777      0.235144
     10.78944     16.72570     18.71356        -0.061787     -0.117454      0.106723
     10.05167     16.71646     19.89420         0.061199     -0.054682      0.065780
      9.88850     17.88749     20.63815         0.005922     -0.062528     -0.223604
     11.38561     17.94580     18.38138        -0.050958      0.140370      0.082988
     11.24772     19.11947     19.15475        -0.028056      0.070660     -0.117406
     10.43092     19.15623     20.35702        -0.117135      0.186370      0.160517
     10.08795     20.34323      0.06174         0.006456     -0.012515      0.027860
      9.35698     20.29794      1.32754         0.263784      0.006759     -0.248503
      9.17562      0.18931      2.12541         0.182392      0.081279     -0.096621
     10.49515      0.40697     21.01536        -0.029926     -0.101425      0.076124
     10.33978      1.54512      0.56589        -0.094185     -0.135195      0.001283
      9.69057      1.45754      1.80199        -0.011560      0.180548      0.102980
      8.70932     19.06961      1.95592         0.332470      0.050558      0.014917
     12.08963     20.25472     18.57173        -0.174526      0.002547      0.224111
      7.31799      7.66381     17.31413         0.028502     -0.105292     -0.171678
      7.11927      8.57853     16.28591         0.041690      0.152648     -0.140557
      7.06575      9.96069     16.54354        -0.001315      0.003637     -0.082475
      7.59496      8.08813     18.60447         0.010092      0.038687     -0.040603
      7.62219      9.46299     18.84362        -0.016960      0.011104      0.074182
      7.31073     10.44532     17.86158         0.044760      0.007630      0.049323
      7.17472      6.28607     16.78312        -0.098317     -0.456351      0.181039
      7.03488      7.78318     15.00238        -0.132251     -0.004337     -0.108538
      7.27143     11.91267     18.27007         0.022258      0.032152     -0.083133
      7.10989     13.00528     17.36583         0.018659     -0.108078      0.040872
      7.13483     14.32361     17.84635        -0.016628     -0.035244     -0.232132
      7.42451     12.26383     19.63744        -0.057256      0.031322      0.158443
      7.39990     13.57904     20.12016         0.019111      0.012817     -0.084518
      7.25442     14.61818     19.20376        -0.079355      0.109868     -0.123585
      7.19504     16.10423     19.37602        -0.137456      0.345546      0.514701
      7.09380     15.63335     17.10272        -0.060675      0.046323     -0.426814
      7.51427     18.07454     17.76449        -0.017690     -0.146245     -0.097925
      8.36348     18.41464     16.70386         0.009715      0.039078      0.082594
      8.75773     19.74433     16.51886         0.055107     -0.009356      0.023739
      7.03993     19.14991     18.52379         0.075311      0.123255      0.113414
      7.43201     20.49786     18.30998        -0.081274     -0.011699      0.121459
      8.37564     20.87251     17.28284         0.215007     -0.103089     -0.214511
      8.98968      1.00103     16.92354        -0.014934     -0.102940      0.239244
      9.77675      1.36670     15.75963        -0.026565      0.367215      0.104369
     10.22684      2.69327     15.59052         0.067591      0.213199     -0.129231
      8.80563      2.10208     17.79762        -0.206106     -0.048330     -0.015999
      9.22360      3.42979     17.61258         0.302132     -0.241957     -0.107444
      9.96345      3.76074     16.46998        -0.020729      0.010518     -0.172038
     10.29378      0.52860     14.58821         0.159286     -0.512126     -0.109693
      6.72055      0.18843     19.26472         0.004158     -0.084548     -0.016478
      6.89865     10.81823      6.26035        -0.074268     -0.121731      0.201763
      6.87341     11.27139      7.57544        -0.016726     -0.010062      0.171286
      6.91097     12.63758      7.90067         0.034507      0.141244     -0.021032
      6.98289     11.74551      5.22396        -0.047729      0.001692      0.052627
      7.02917     13.11193      5.54797        -0.002157     -0.058212     -0.163284
      6.99362     13.62715      6.87128        -0.008941     -0.075420      0.147648
      6.89120      9.31728      6.26973        -0.009383     -0.154092     -0.025026
      6.86743     10.05840      8.47030         0.032761     -0.221647      0.045514
      7.07674     15.13746      7.11378        -0.005582     -0.071797      0.065874
      7.14997     15.75105      8.40226         0.013530     -0.148936     -0.019069
      7.25469     17.14976      8.51556         0.053948     -0.063720      0.061251
      7.14340     16.03076      6.00866        -0.046441      0.104451     -0.164478
      7.24444     17.42219      6.12771        -0.111267      0.008483     -0.013763
      7.26385     17.97831      7.39815         0.014477      0.095195      0.154142
      7.39120     19.40771      7.82748         0.024687      0.017084     -0.061376
      7.49649     18.02823      9.71352         0.061015     -0.029442      0.191103
      7.71827     20.55679     10.07781         0.055434     -0.236902     -0.001828
      7.22989     20.52067     11.38110         0.077660      0.307195      0.021099
      7.22688      0.42046     12.15557        -0.022234     -0.047929     -0.002507
      8.36965      0.48154      9.68468         0.036860      0.036662      0.128757
      8.49562      1.60253     10.54223         0.017442      0.026497      0.029036
      7.80144      1.66229     11.82075        -0.177637     -0.083467      0.227454
      7.56528      2.83695     12.80253         0.002229     -0.086499      0.147808
      6.92650      2.81014     14.12978         0.383716      0.057829     -0.577783
      6.74461      4.00218     14.84150         0.078057      0.211278      0.029619
      7.94467      4.14438     12.42068        -0.009204      0.118032      0.022451
      7.83897      5.31915     13.19448        -0.005121     -0.177323     -0.071141
      7.22092      5.26296     14.44563        -0.111440      0.122344      0.191740
      6.31802      1.63757     14.90642         0.194359     -0.180453     -0.372499
      9.51322      2.62311     10.02693        -0.157382     -0.219231     -0.101182
      4.29488     11.55857     10.38604        -0.056040     -0.040919     -0.202616
      4.07325     12.42263      9.31959        -0.017670      0.029541     -0.063756
      4.23816     13.80625      9.45035        -0.068879      0.042328      0.032906
      4.73976     12.05572     11.60793        -0.064093     -0.100779      0.033649
      4.79176     13.44358     11.77747        -0.015586     -0.107309      0.094107
      4.52456     14.35917     10.72769        -0.021090      0.071882     -0.071450
      3.86717     10.18450      9.99380         0.052793     -0.134544      0.096997
      3.57981     11.60145      8.16540        -0.097271      0.001509     -0.459440
      4.49838     15.84525     10.99478        -0.033403     -0.054110     -0.030233
      4.06948     16.78907     10.01549         0.083832      0.011764      0.087725
      4.07450     18.15576     10.32075        -0.016375      0.039861     -0.049313
      4.88673     16.35011     12.26395        -0.022717     -0.018081     -0.012087
      4.79156     17.70311     12.59309        -0.001450      0.001468      0.052819
      4.38454     18.59235     11.61068        -0.121176     -0.159807     -0.312279
      4.26063     20.05807     11.67062        -0.027358      0.190440      0.413187
      3.87659     19.38981      9.46608         0.094559      0.053934      0.152403
      4.36595      0.62396      9.96939         0.077151     -0.148037     -0.122615
      4.91154      0.98433      8.73228         0.076242      0.036235      0.142141
      5.46023      2.26052      8.58087        -0.177582     -0.250946     -0.042111
      4.24259      1.67398     10.87744         0.088256     -0.007952      0.025552
      4.72409      2.99212     10.66936         0.038827      0.060658     -0.060363
      5.46919      3.35131      9.48656         0.107489     -0.034013     -0.249417
      6.09703      4.71051      9.01268        -0.042304     -0.013913      0.166630
      6.57328      5.03681      7.68701        -0.032518      0.192238      0.014588
      6.83256      6.36601      7.26052        -0.106143     -0.087723      0.235280
      6.12610      5.85549      9.84465         0.019870      0.116024     -0.064501
      6.33585      7.18698      9.42904        -0.086939     -0.300426      0.030574
      6.65265      7.48682      8.09454        -0.004165      0.417757      0.070908
      6.78143      4.02923      6.57890        -0.199049      0.117529     -0.314595
      4.11436      3.79769     11.79968         0.006868      0.004326      0.209187
      0.78467     14.08346      1.05032         0.222367     -0.040396      0.148730
      1.50055     14.52652      2.15762         0.021725     -0.046870      0.079569
      1.53019     15.91166      2.46649         0.087091      0.067124     -0.034829
      0.23491     14.96086      0.13658        -0.098391     -0.051032     -0.113045
      0.37463     16.32375      0.36951        -0.003853     -0.070514      0.160201
      0.94847     16.86234      1.55491         0.052102      0.020728     -0.077688
      0.75823     12.60829      1.00056         0.069103      0.428748      0.166511
      2.14166     13.26088      2.75048         0.182295     -0.098643      0.346800
      0.91823     18.39345      1.69522         0.072352      0.171285      0.250300
      1.34751     19.14995      2.83621        -0.107127     -0.006853     -0.194977
      1.24682     20.56195      2.82188         0.017792     -0.262744      0.242910
      0.40935     19.17172      0.61115        -0.118723      0.061044     -0.072718
      0.24319     20.56134      0.63438         0.019500     -0.062653      0.208448
      0.65744     -0.00870      1.76905         0.021966      0.055609     -0.041645
      0.59119      1.45035      2.08402        -0.004041     -0.072341     -0.285858
      1.69858      0.34328      3.81747         0.027812     -0.146871      0.157029
      1.32726      2.90001      4.04983         0.081831     -0.241527     -0.007263
      2.00229      2.98805      5.27067        -0.019638      0.205729      0.027942
      2.13179      4.21507      5.91967         0.128786     -0.021582      0.021763
      0.72677      4.09756      3.61104         0.030435      0.082255      0.040887
      0.79978      5.30785      4.33943         0.325882     -0.094479      0.484260
      1.59487      5.45974      5.54141        -0.059204     -0.122736     -0.135234
      1.95810      6.70495      6.39198         0.045582      0.123565     -0.152276
      2.42544      6.70236      7.75311        -0.016518      0.004039      0.040228
      2.84850      7.86812      8.41819        -0.001717     -0.189317     -0.204511
      1.99566      8.02374      5.85562         0.088135      0.004755     -0.255390
      2.46828      9.19129      6.49972        -0.027919     -0.260486     -0.062639
      2.92119      9.13524      7.83499         0.045804      0.164032     -0.050416
      2.66708      5.49023      8.63326         0.038429      0.275102      0.051283
     -0.02614      6.40894      3.75059         0.204004     -0.102113     -0.282791
      4.55813     14.11977      0.63306        -0.049352     -0.054980     -0.031491
      3.98573     15.03237     -0.24764        -0.141350      0.143389     -0.177988
      4.04577     16.42316     -0.03316        -0.116201      0.249126     -0.003887
      5.19104     14.59584      1.77918        -0.075708     -0.109809     -0.111544
      5.18383     15.97533      2.02678        -0.016864      0.044597      0.069177
      4.62076     16.96402      1.16501        -0.166310     -0.029202     -0.109996
      4.34197     12.72745      0.11996         0.012569     -0.004173     -0.118513
      3.33294     14.22722     19.90967        -0.204701      0.162753     -0.548416
      4.64341     18.45688      1.59416        -0.066433      0.164098      0.047829
      4.15605     19.60178      0.87118         0.006379     -0.147620     -0.099017
      4.29729     20.91747      1.39629        -0.059036     -0.052985     -0.222701
      5.19711     18.77173      2.86517         0.058084      0.022828      0.091381
      5.37671     20.06552      3.36870        -0.003511      0.211532     -0.013108
      4.94939     21.15211      2.60331        -0.061066     -0.026323     -0.083701
      5.07997      1.37424      2.82952         0.114417      0.030367      0.187096
      3.84839      1.02449      0.88037         0.072225     -0.049045      0.050895
      4.05089      3.48727      1.74762         0.053669      0.016401      0.021981
      3.18232      4.04591      0.78639         0.196435     -0.120420     -0.091318
      2.96809      5.42938      0.71110        -0.079831     -0.116930     -0.032329
      4.60446      4.43926      2.64245        -0.065813     -0.395402     -0.172834
      4.24618      5.80743      2.64200        -0.049767      0.028423      0.053971
      3.40919      6.40468      1.63982        -0.149104      0.036799      0.050201
      2.95017      7.88290      1.59362         0.318964     -0.161846     -0.012109
      1.70327      8.40834      1.10729         0.281534      0.050984     -0.222051
      1.36833      9.76198      1.26140         0.275278      0.258345      0.150257
      3.77938      8.88725      2.15066         0.142937     -0.100564     -0.033990
      3.42594     10.22480      2.39437        -0.427458      0.189277     -0.233534
      2.18833     10.71888      1.90766         0.028807     -0.062508      0.202422
      0.70290      7.64270      0.24360         0.041598      0.320882     -0.311861
      4.89007      6.49477      3.83469        -0.027924      0.184714     -0.087544
     18.01626     17.33635     13.87840         0.007649     -0.297242      0.028029
     18.98661     17.79898     14.76256         0.068168      0.000493      0.049557
     19.21130     19.16520     14.95931         0.031590      0.073773     -0.079477
     17.32939     18.23281     13.06472        -0.058595      0.008514      0.048431
     17.63087     19.59472     13.18558        -0.134638      0.047231     -0.034823
     18.51303     20.11729     14.16646        -0.000688      0.186108      0.135717
     17.98556     15.83870     13.94441        -0.200685     -0.363363     -0.093653
     19.70484     16.60853     15.32605         0.059962     -0.209718      0.178437
     18.65098      0.36105     14.36015        -0.086018     -0.138678     -0.069770
     19.52783      0.95002     15.31298        -0.101398     -0.138813     -0.058336
     19.54352      2.33916     15.47315        -0.039367     -0.051871      0.173743
     17.83490      1.25449     13.61532        -0.144173      0.097927     -0.039281
     17.84920      2.64641     13.78785        -0.046432     -0.054628      0.025915
     18.71434      3.18169     14.73476         0.130902      0.149344      0.188915
     18.93719      4.59358     15.18678        -0.243702      0.449417     -0.207155
     20.32627      3.18683     16.43187        -0.045186      0.089151     -0.039582
     20.53595      5.71828     16.82694         0.051765     -0.311269      0.048025
      0.60915      5.70786     17.24619        -0.027561     -0.034415     -0.030686
      1.21620      6.87596     17.70966        -0.022456      0.102318     -0.044447
     19.84816      6.91419     17.06105        -0.359687     -0.050567      0.034632
     20.44376      8.05643     17.64247         0.185968      0.236316     -0.005607
      0.61130      8.13233     17.93246        -0.094954     -0.283506     -0.071790
      1.47975      9.30431     18.47770        -0.047144      0.129140     -0.010249
      2.85042      9.29281     18.97544        -0.098535      0.194234      0.104715
      3.46077     10.48366     19.44975        -0.266552      0.208022      0.124516
      0.92283     10.60866     18.52442         0.202279      0.094206      0.161382
      1.50673     11.77168     19.06691         0.156556     -0.603384     -0.145500
      2.81000     11.71894     19.57391         0.022018     -0.003280      0.004721
      3.94814      8.21464     18.98919        -0.386705      0.097497     -0.065402
     19.41164      9.13251     17.95154         0.143120      0.140221      0.105011
      1.77401     18.31903     14.13826        -0.170773     -0.204192      0.082974
      1.07391     19.21775     13.33256         0.190550      0.077795      0.156895
      1.13310     20.59572     13.56030        -0.066598     -0.047503      0.071805
      2.53746     18.77193     15.21296         0.021593     -0.126020     -0.196795
      2.56753     20.14582     15.45864         0.075390     -0.058984      0.068647
      1.87395     21.09278     14.66558         0.057465      0.107493     -0.007224
      1.48991     16.92780     13.68057         0.050170     -0.121851      0.027503
      0.32901     18.42792     12.31048        -0.475842      0.133032     -0.443221
      2.01543      1.30293     14.96207        -0.037410     -0.278641     -0.090237
      1.51397      2.29471     14.08831        -0.041277      0.059409      0.199982
      1.79007      3.63147     14.35798        -0.060145      0.138794     -0.123185
      2.69257      1.74583     16.12281         0.167059      0.056271      0.144104
      3.05684      3.07970     16.33480         0.036544     -0.037870     -0.062652
      2.64701      4.01470     15.39083        -0.201592      0.291874     -0.205946
      2.87462      5.48537     15.27420         0.372923      0.644134      0.358186
      1.26939      4.86958     13.68815         0.803287     -0.305108      0.862257
      1.46679      7.33263     14.21661        -0.165864     -0.192204      0.020632
      0.13665      7.63205     13.89114        -0.009840     -0.028744      0.091682
     20.93220      8.93485     14.05301        -0.052758     -0.178173      0.000781
      2.26896      8.42184     14.57632        -0.204466      0.049561      0.058261
      1.78985      9.74036     14.69711        -0.072320      0.187984      0.057646
      0.39418     10.06649     14.47162        -0.126736      0.066861      0.041699
     20.88011     11.39564     14.60598         0.098298     -0.052477      0.026369
     19.48387     11.65853     14.28921        -0.060048     -0.043373     -0.059435
     18.92906     12.94970     14.39957         0.201600      0.091111     -0.057903
      0.27722     12.56015     15.06841        -0.068745      0.085921      0.023066
     -0.26103     13.85092     15.13726         0.039084      0.064774     -0.006203
     19.66475     14.08705     14.77274         0.195715      0.245417      0.167523
     18.39760     10.65672     13.85807         0.110617      0.134779     -0.027336
      2.88842     10.70857     15.10439         0.106337     -0.071294      0.146476
     16.37653      0.42045      5.24874         0.038481     -0.030636      0.036571
     16.94252      0.78798      6.46412         0.057546     -0.023541      0.171147
     16.85352      2.10736      6.95196        -0.044208     -0.015948     -0.060597
     15.72977      1.35254      4.46178         0.023430     -0.032436      0.069632
     15.68825      2.66959      4.91940        -0.017420     -0.073372     -0.135163
     16.22646      3.11273      6.15362         0.001389     -0.041653      0.103828
     16.68241     20.26311      4.94469        -0.175896     -0.156888     -0.294538
     17.67869     20.83175      6.97205         0.122939     -0.041548      0.301325
     16.18391      4.60571      6.47124         0.019195      0.001043      0.022943
     16.72802      5.24574      7.62557        -0.054661     -0.022729     -0.035150
     16.73636      6.65294      7.69878        -0.039459     -0.028006      0.052752
     15.62215      5.47788      5.49952         0.018281      0.097195     -0.191899
     15.68721      6.87104      5.54838         0.046411      0.035660      0.061717
     16.26658      7.45578      6.66333         0.013587      0.158312      0.189875
     16.53005      8.89530      6.97335        -0.132918     -0.119150     -0.024455
     17.27598      7.57621      8.75425         0.059996     -0.176688      0.343936
     17.66506     10.10671      8.91108        -0.163728     -0.291516     -0.006113
     18.69235      9.99605      9.84350        -0.087771      0.224809      0.084903
     19.27387     11.13594     10.39983        -0.029314     -0.006506      0.072002
     17.20340     11.40687      8.65705         0.199804      0.089552      0.095226
     17.82402     12.54815      9.21587         0.049936      0.095402      0.005800
     18.95413     12.47153     10.11251        -0.108822     -0.042160     -0.016848
     19.76111     13.60838     10.77061         0.071541      0.004756      0.108640
     21.09029     13.54247     11.35529        -0.342600     -0.067871     -0.080110
      0.44165     14.67767     11.91257        -0.167593      0.217168      0.007829
     19.19513     14.90011     10.90354        -0.011599      0.006243      0.122580
     19.81830     16.03462     11.44364        -0.055911     -0.012725      0.014774
     21.11420     15.94175     11.96657        -0.090540      0.118994     -0.007515
      0.84655     12.40412     11.35624         0.048755     -0.073735      0.067946
     17.11272     13.82140      8.82109         0.123175     -0.165382      0.034616
     20.24700      1.49828      6.23932         0.073951      0.033858      0.069830
     19.64368      2.51851      5.50826        -0.048893      0.199948     -0.150294
     19.55607      3.81567      5.98728         0.013629     -0.066303     -0.061633
     20.75659      1.76186      7.50461        -0.012583     -0.179672     -0.010803
     20.62103      3.05020      8.02047        -0.001420      0.184456      0.110364
     20.04495      4.11400      7.27937        -0.085320      0.163502     -0.019610
     20.24653      0.26105      5.41251         0.084670     -0.031264      0.204214
     19.22021      1.96571      4.18638        -0.082294      0.209933     -0.147593
     20.06518      5.53787      7.74004        -0.068089     -0.099396     -0.000724
     19.62259      6.56395      6.87591         0.091235      0.122992      0.294834
     19.94970      7.88468      7.16195        -0.001180      0.145089      0.112549
     -0.67419      5.93243      8.99507        -0.005204      0.028559      0.099754
     -0.38051      7.26464      9.29791         0.021614      0.135322     -0.097326
     20.64297      8.23046      8.31694        -0.081185     -0.042803     -0.197139
     -0.25155      9.67455      8.23085        -1.299164     -1.342593     -1.432038
     19.68534      9.12942      6.36978         0.878609     -0.156110      1.323529
     20.30725     11.59478      6.67833        -0.230083     -0.495966     -0.170143
     19.35091     12.02548      5.74108         0.054004      0.279756      0.047184
     19.16873     13.38802      5.50585        -0.020527     -0.085109     -0.003864
     21.14016     12.58725      7.22481        -0.141163      0.251615     -0.099357
     20.97208     13.95672      6.93105        -0.031930      0.215651     -0.029233
     19.91090     14.43971      6.09037        -0.172512     -0.273255     -0.015759
     19.43447     15.86497      5.88667        -0.089541     -0.063887     -0.019704
     18.69941     16.38163      4.76006         0.124936      0.075555      0.172236
     18.14993     17.67335      4.78904         0.044147      0.011777      0.080547
     19.55811     16.78885      6.95037        -0.010049      0.061081      0.025856
     19.01680     18.07406      6.98682         0.022736     -0.158199     -0.074523
     18.24783     18.52653      5.90823        -0.060466      0.153340      0.119660
     18.36660     15.61154      3.48820         0.141124      0.206273      0.002047
      0.75762     14.87520      7.54065        -0.065996     -0.144532     -0.006807
     12.72326      5.25086      3.99536         0.006728     -0.041420     -0.019144
     13.37535      3.73710     20.51509        -0.004951      0.069740      0.118828
     13.13409      6.11526     21.00927         0.037732      0.065797      0.097128
     12.95619      7.29116      4.39788        -0.034915      0.004019     -0.046965
     13.25549      8.00091      0.11103        -0.021499     -0.058864      0.047069
     13.63455     10.39186      0.51521        -0.053131     -0.120786      0.073510
     13.43122     13.27244      8.84827        -0.077826     -0.101590     -0.043303
     13.21965     11.41015      7.35034         0.133577      0.118893     -0.067594
     14.30115     14.00052      4.09374         0.156247     -0.094475     -0.205698
     12.77402     17.16132     11.46704        -0.132690     -0.013577     -0.049269
     15.38040     17.01927      7.34089         0.059501      0.046678      0.102875
     15.32787     19.05424      8.59584         0.050396      0.008265      0.074326
      9.51690      6.83645      3.07057         0.016917      0.031942     -0.027701
     10.27585      3.55588      6.79405         0.084133      0.077237     -0.011367
     10.49151      5.95488      7.22798        -0.005182      0.090935     -0.053986
      9.99015      8.96134      3.56379         0.028345     -0.057305     -0.099506
     10.01968      7.72480      7.73111         0.039978      0.023779     -0.111732
     10.16030     10.04433      8.45380         0.044833      0.004099     -0.087873
     11.99488     15.97937      2.30541         0.073691     -0.056907      0.077967
     11.43661     13.74574      2.84107        -0.143599      0.158527      0.001335
     10.18701     15.05741      6.73225        -0.131975     -0.091311      0.057705
     13.41811     20.27462      1.20959         0.097579      0.079303      0.012982
     11.59483     19.26265      5.56973        -0.125523      0.087509     -0.029506
     11.99783      0.25591      5.06123         0.076307     -0.148205     -0.066293
     10.51592      9.15385     17.53884         0.029552     -0.097258     -0.101057
     10.63182      7.68589     12.73765         0.042379      0.027394      0.110627
     10.51789     10.04680     13.28719         0.071764      0.107163     -0.019417
     10.72629     11.33313     17.91268        -0.028505      0.021169     -0.075851
     10.58926     11.83434     13.58703         0.032914     -0.042972      0.037072
     10.81928     14.23927     13.81347        -0.060983     -0.094833      0.138330
      9.26488     17.75608      0.23783        -0.118307     -0.058989     -0.050694
      9.57542     15.80060     20.25169         0.180395      0.162164     -0.008484
     11.95595     18.01108     17.46484         0.112752     -0.032705     -0.056993
      8.65790      0.07603      3.06597        -0.110074      0.019641      0.163526
     10.96835      0.59385     20.06380         0.108511      0.019709      0.100733
     10.75509      2.49479      0.22527        -0.157776     -0.062159     -0.083455
      6.80800     10.64481     15.73089         0.099180     -0.027596      0.016034
      7.79092      7.36632     19.39982         0.002695      0.068524     -0.007804
      7.87629      9.75352     19.86150        -0.023475      0.127430     -0.015790
      6.97526     12.83306     16.29742         0.056138      0.007643     -0.059118
      7.54616     11.49248     20.39879        -0.027632     -0.002386     -0.112528
      7.51220     13.76416     -0.06745        -0.003657      0.030288     -0.102887
      9.41314     19.89936     15.68029         0.218023     -0.157162      0.097618
      8.76203     17.65480     16.02745        -0.032701      0.124996      0.070677
      6.36170     18.95996     19.35130         0.043000     -0.105515     -0.075945
     10.74823      2.90946     14.65960         0.030886      0.102176      0.286023
      8.23777      1.95096     18.70693         0.154288      0.066754     -0.165535
      8.93606      4.17561     18.35032         0.117022     -0.067265      0.010702
      6.85597     12.91769      8.95266         0.161532      0.051984      0.013881
      7.03996     11.42490      4.17891        -0.049600      0.035143      0.093861
      7.12534     13.78924      4.69755        -0.029993      0.038710      0.103282
      7.13577     15.14438      9.31232         0.087103      0.044696     -0.064335
      7.13753     15.66001      4.98313         0.019468     -0.179398      0.086364
      7.38043     18.06779      5.25464        -0.154468     -0.172301      0.007329
      6.73557      0.31524     13.10719        -0.077629     -0.044740     -0.156753
      6.83359     19.59493     11.78749        -0.024659      0.064162      0.071277
      8.82255      0.53975      8.69518         0.015024     -0.063122      0.105918
      6.22443      3.96078     15.78553        -0.032732     -0.045752      0.167152
      8.35552      4.28371     11.42648         0.087708      0.031055      0.114815
      8.28085      6.24624     12.81988        -0.242460     -0.106033     -0.067936
      4.09744     14.45153      8.58282        -0.045037     -0.074481      0.033238
      4.97303     11.38217     12.43586        -0.098994      0.061374     -0.058083
      4.96821     13.80326     12.79529         0.123290      0.016342     -0.180903
      3.74053     16.45320      9.03422         0.024853      0.031679     -0.129280
      5.28128     15.68975     13.03830        -0.062014     -0.032625     -0.108407
      5.06188     18.07176     13.58468         0.040361     -0.107204     -0.010475
      5.88192      2.37671      7.61149         0.117027     -0.120182      0.013332
      4.94846      0.28665      7.89213         0.110329      0.086186      0.125323
      3.75087      1.46307     11.81934        -0.019289      0.018771      0.027501
      7.13269      6.52041      6.23214         0.019721      0.012291     -0.023444
      5.93283      5.72849     10.89825        -0.124677      0.040402      0.105599
      6.18246      7.99064     10.14608         0.158742     -0.111674      0.137586
      2.02167     16.25424      3.38446        -0.030943     -0.049317     -0.116616
     -0.25133     14.57026     20.49812        -0.056809      0.150535      0.040302
      0.01838     16.97090     20.83545        -0.147827      0.097273      0.042516
      1.72479     18.65394      3.73358         0.077181      0.027047     -0.042020
      0.09078     18.69659     20.94315         0.027312     -0.050755      0.098546
     -0.20354     -0.16001     21.05572         0.038544     -0.067226     -0.067113
      2.74664      4.18263      6.79313         0.110695     -0.212318     -0.046517
      2.42918      2.10616      5.73636         0.157862     -0.022137     -0.037526
      0.14878      4.09647      2.69246        -0.062940     -0.042087     -0.005930
      3.15363      7.77048      9.44567         0.092464      0.056150      0.167024
      1.72260      8.15621      4.80538        -0.001333      0.024449      0.203799
      2.50073     10.12118      5.93329        -0.033620     -0.015818      0.026005
      3.62268     17.06752     20.44833        -0.043383      0.064911      0.149855
      5.63925     13.89131      2.48989        -0.048748      0.208132     -0.043181
      5.63389     16.26205      2.97294         0.067753      0.152906      0.010499
      3.68593     19.47041     -0.10972         0.015189      0.066883      0.108122
      5.56400     17.97293      3.50721        -0.055063      0.003221     -0.012608
      5.86228     20.22082      4.33777        -0.078238     -0.024873     -0.084195
      2.42234      5.74339     -0.16530        -0.179453      0.000775      0.092637
      2.67518      3.40124      0.06434         0.177455      0.153217      0.014878
      5.31343      4.12944      3.40771        -0.150339     -0.231087     -0.077969
      0.44867     10.12295      0.82074        -0.091595     -0.132266      0.054441
      4.80473      8.60216      2.39766        -0.169008      0.158381      0.078702
      4.13363     10.85578      2.93363        -0.059965      0.071477     -0.190392
     19.94556     19.47863     15.70011         0.046675      0.011212      0.064434
     16.59023     17.89275     12.33221         0.097992      0.002123      0.052490
     17.14807     20.26118     12.46739        -0.008010      0.014558      0.158398
     20.17203      0.32393     15.93287         0.039280      0.087406      0.023573
     17.11166      0.87529     12.88876         0.131502     -0.072209      0.083682
     17.17112      3.28969     13.21977         0.078464     -0.065117     -0.000667
      2.25277      6.75418     17.95814         0.111031      0.047310     -0.159825
      1.19280      4.78523     17.21311        -0.123547      0.208122      0.036656
     18.77988      6.95359     16.82696         0.293725      0.032394      0.034467
      4.48803     10.45642     19.79708        -0.036643     -0.161894     -0.023033
     -0.05590     10.74819     18.09702        -0.123691      0.105370      0.036329
      0.92741     12.68474     19.08500        -0.121400      0.198534     -0.068913
      0.60285      0.01044     12.88798        -0.076237      0.008891     -0.018379
      3.12764     18.07454     15.81734        -0.164811      0.080182     -0.005289
      3.19506     20.48285     16.28445        -0.041416      0.050173     -0.048400
      0.92452      2.03487     13.21302        -0.086997      0.012216     -0.099490
      2.98419      1.04106     16.90257        -0.012059     -0.044201     -0.105686
      3.61161      3.36830     17.23244         0.035948     -0.036190     -0.139244
     19.88995      9.03891     13.83688        -0.003789     -0.149607      0.087185
     20.67251      6.87771     13.56648         0.243724      0.083048      0.102983
      3.29474      8.21842     14.83169         0.292778      0.024542     -0.008649
     17.89296     13.06536     14.12443        -0.169666      0.149508      0.016926
      1.29597     12.48878     15.41737         0.029954      0.052472     -0.141567
      0.39523     14.67737     15.42503        -0.141425     -0.266433      0.087818
     17.32072      2.36099      7.90517         0.010607     -0.020617      0.024196
     15.31148      1.05073      3.49932         0.080574      0.153380      0.068512
     15.24115      3.37067      4.22792        -0.061738      0.211515      0.008638
     17.18645      4.68151      8.44382        -0.104530     -0.020544     -0.078955
     15.12654      5.07621      4.62114         0.074594     -0.115873     -0.049350
     15.31066      7.48727      4.72912         0.023623     -0.117239      0.057217
     20.02861     10.93895     11.13512         0.020428      0.004394     -0.040480
     19.04614      9.01383     10.13584        -0.031784      0.072470      0.204961
     16.35612     11.55984      7.99854         0.011441     -0.049897     -0.084187
      1.41390     14.56340     12.35705         0.251350      0.033665      0.036871
     18.17041     15.05506     10.59027         0.039084     -0.014765      0.186999
     19.25550     16.97117     11.49188         0.156443     -0.148026     -0.138886
     19.15122      4.59284      5.33912        -0.066387     -0.130936      0.000047
      0.02340      0.98362      8.05690        -0.069065     -0.038899      0.127689
     -0.21423      3.24073      9.00564        -0.089281      0.032871      0.013247
     19.06452      6.34441      5.97693        -0.032024     -0.004763     -0.161694
     -0.44553      5.18237      9.75239        -0.065012      0.034734     -0.008508
      0.02386      7.53754     10.27319         0.123007     -0.042233     -0.002543
     18.35160     13.63978      4.84528        -0.078269     -0.101417      0.074389
     18.72793     11.30710      5.21201        -0.038940      0.086171      0.118147
      0.67621     12.30484      7.89652         0.128560     -0.061653      0.062461
     17.56283     17.99775      3.93812         0.016806      0.006863     -0.038101
     20.05623     16.46940      7.85501         0.025993      0.017273      0.014515
     19.18840     18.71603      7.85032        -0.061586     -0.148363      0.006264
     13.93719     19.19458     10.69503         0.008023      0.108323      0.148785
     19.48157     21.23335      3.42980        -0.010811      0.197874      0.241424
     12.94227      1.23400      2.66995        -0.014490     -0.072801     -0.081163
     13.65371     11.43800      4.64490        -0.072933      0.064384     -0.093303
      9.61583      2.58145      2.72590         0.011439     -0.201186     -0.171536
     10.38566     12.82722      5.19440         0.131619     -0.058610      0.006742
     10.33797      5.12481     16.11896        -0.013457      0.303062      0.190027
     10.88092     15.55962     17.87222        -0.027409     -0.079582     -0.031590
      7.09634      6.38612     15.35732         0.237971      0.092710     -0.077799
      7.20273     16.68503     18.07108         0.161624     -0.030470     -0.087723
      6.76400      8.87906      7.63024         0.042452      0.080133      0.068186
      7.57539     19.39359      9.24028        -0.001560     -0.213348     -0.132521
      3.43689     10.24366      8.61321         0.116334     -0.036280      0.089954
      4.05986     20.52703     10.34615         0.073278      0.063113     -0.170938
      1.76496     12.13000      1.89253        -0.142850     -0.321647      0.065149
      1.21849      1.63446      3.35103        -0.008576      0.150516     -0.003964
      3.45414     12.83490     20.25277         0.143708      0.107926      0.135949
      4.31937      2.04711      1.81719        -0.104790     -0.221231     -0.144664
     19.12250     15.43291     14.73100        -0.098518     -0.013538     -0.111576
     19.92375      4.54932     16.21810         0.120222      0.177192     -0.015748
      0.53785     17.04096     12.60380         0.040721     -0.034809      0.101826
      1.94169      5.97824     14.29514        -0.187797      0.008151      0.044861
     17.57600     19.79996      5.94799         0.011928      0.117731      0.085289
     17.13729      8.92715      8.26330        -0.014656      0.016952      0.113207
     19.60507      0.61860      4.21756        -0.104957     -0.176386     -0.215843
     20.38058     10.19722      7.04127         0.023802      0.384373     -0.047214
     12.47804      2.38504      4.68707         0.116720     -0.046581      0.132758
     13.70873      0.94410      0.45304        -0.097175      0.423573      0.170169
     13.23793      9.64347      6.12982         0.034067     -0.054075     -0.112750
     14.03354     12.54959      2.57917        -0.147366     -0.323142      0.172992
      9.47564      4.41140      1.24093        -0.025766      0.088051     -0.356560
      9.58506      1.41817      4.78323         0.081251      0.156890     -0.092236
     10.19084     11.84533      3.05568         0.015127      0.004118     -0.187457
     10.22875     12.98393      7.54936         0.015293     -0.398751     -0.447631
     10.31733      6.22897     18.23197         0.090244     -0.057599     -1.141060
     10.80004      4.86373     13.81089        -0.067539      0.602344      0.542848
     10.79904     13.84388     19.49576         0.005313      0.036159     -0.109042
     11.04722     16.58968     15.75531        -0.117197     -0.332841      0.171724
      6.95428      8.19580     13.85858         0.005510      0.091608     -0.057911
      7.10542      5.25166     17.44014        -0.024854      0.398548     -0.267735
      6.98641     15.81078     15.89658         0.039049     -0.077513      0.129415
      7.11662     16.73626     20.42549        -0.040266     -0.317781     -0.435763
      6.99135     10.03645      9.68342        -0.025506      0.080992      0.099183
      7.03133      8.57575      5.31137        -0.091997      0.146231     -0.039894
      7.64426     17.68694     10.87582         0.000232     -0.076808     -0.098571
      7.32034     20.41312      7.13742         0.047762     -0.067940     -0.044378
      3.32985     11.97462      7.02928         0.083717     -0.001542      0.052306
      3.85815      9.19714     10.71452        -0.000625      0.091647     -0.053870
      3.65498     19.47445      8.27327         0.003924     -0.082415     -0.074903
      4.30956     20.75064     12.67959        -0.070796     -0.196252     -0.219222
      2.83990     13.14504      3.74264        -0.050497      0.094497     -0.286584
     -0.04788     11.97425      0.34662        -0.198507     -0.399333     -0.370580
      2.37892      0.16433      4.81111        -0.004384     -0.015413      0.023145
      0.09332      2.32286      1.39051         0.032769      0.021646      0.017938
      2.82297     14.62848     18.87153        -0.005208      0.030516      0.350767
      4.85290     11.69147      0.52693        -0.031226      0.237754     -0.027563
      3.18790      1.25896     -0.11346        -0.059069     -0.076262     -0.189956
      5.75545      1.92140      3.68648        -0.059878     -0.025206      0.013192
     -0.63567     16.60971     16.13222        -0.031348      0.068427     -0.015992
     17.15673     15.07558     13.46284         0.276771      0.396742      0.055790
     -0.11239      2.81502     17.25056         0.117714     -0.095076      0.234520
     18.40074      5.61674     14.77116         0.176688     -0.442964      0.114624
     20.90932     18.85113     11.38078         0.140765     -0.109430      0.262784
      1.95504     15.88330     14.12184        -0.113312      0.323472     -0.160372
      0.41015      4.94217     12.84430        -0.837188      0.082687     -0.845419
      3.69325      6.18773     15.87016        -0.484806     -0.610534     -0.354253
     18.26352     20.71127      8.03830        -0.127366     -0.000367     -0.150282
     16.24466     19.60637      4.00691         0.092512      0.221009      0.037920
     17.74467      7.26172      9.83862        -0.181990      0.021896     -0.163846
     16.31069      9.86414      6.26643        -0.125187      0.086560      0.026266
     18.66813      2.52275      3.24815        -0.031597     -0.005914      0.087054
     20.69182     20.41049      5.66920         0.074458     -0.057316     -0.037618
     19.00132      9.23147      5.38807        -0.748677      0.101222     -1.282730
      0.45942     10.27999      8.96740         1.327503      1.147571      1.267967
     14.05758     17.30628      5.58858         0.068203     -0.012496     -0.049827
     16.03696     16.34668      5.72200        -0.013505     -0.076793     -0.103161
     14.77694     16.03930      3.98411        -0.044760     -0.000295     -0.190294
     11.73497     15.23649     11.47434        -0.025714      0.212867     -0.019416
     11.44251     14.38648      9.49557        -0.016757     -0.084754     -0.004335
     13.18270     13.80452     10.73940        -0.038159      0.032348     -0.044975
     11.94701     18.03219      7.08464         0.016568      0.047854      0.180425
      9.92098     18.55884      6.40180        -0.009567     -0.053544      0.009296
     10.24174     16.86912      7.74004         0.004297      0.027521     -0.102891
     13.58872     18.53950      0.21290         0.226927     -0.062149      0.017392
     14.23640     17.04800      1.67243         0.121671     -0.111380     -0.027140
     12.24084     16.95854      0.76754        -0.023574      0.061783     -0.039205
     11.36907      0.13814     18.29868         0.060262     -0.044265     -0.177113
     13.09103     -0.64239     19.42233         0.028272      0.049017     -0.023261
     12.67325     19.93899     17.38135         0.177233     -0.020021      0.096171
      8.19451     19.30769      3.19764        -0.094100      0.093939      0.091936
      7.67674     18.58100      1.20399        -0.067212      0.090136      0.057468
      9.57717     18.02370      2.16604        -0.014178      0.032920      0.010253
      7.57455      0.87897     20.08770        -0.083907     -0.041029      0.221112
      5.94226      1.10900     18.62033         0.114357     -0.011900      0.104966
      5.87947     20.79875     20.13143        -0.054270      0.051314     -0.122788
     10.66225      1.27631     13.50411         0.094303      0.024768      0.104217
     11.42514     -0.18517     14.94564        -0.270983      0.114719      0.038699
      9.42111     20.87343     14.05645         0.010142      0.095576     -0.027030
      8.95533      3.78819      9.54691        -0.024012      0.089903     -0.007439
     10.40904      2.98117     10.98360         0.000226      0.019095      0.091009
     10.25264      2.14387      8.96869        -0.054884      0.018395      0.238520
      6.07122      1.96089     16.19747        -0.199471      0.096638      0.220908
      5.13677      1.20309     14.38803        -0.064564      0.128317      0.049444
      7.10338      0.51244     14.98185         0.012227      0.115071     -0.076984
      4.42509      5.10007     11.98593         0.119330      0.102953     -0.099455
      2.74061      3.75451     11.65574        -0.001036      0.132282     -0.085147
      4.36714      3.20321     13.01647        -0.051168      0.222502     -0.212200
      7.35406      4.56851      5.46859        -0.064483      0.047591     -0.039744
      7.58608      2.97749      6.92675         0.237429      0.090352     -0.016835
      5.59344      3.50117      6.13249        -0.018789      0.001724     -0.166953
     -0.57253      7.25399      4.64708        -0.121883      0.081091      0.119023
      0.75668      7.22079      2.96910        -0.191369     -0.101266      0.315103
     -1.05920      5.93357      2.99143         0.065553      0.209474      0.118929
      2.99884      5.83736      9.90733        -0.150299     -0.118099     -0.018855
      1.65159      4.59315      8.76387        -0.066774     -0.073579     -0.194981
      3.73575      4.77425      8.15454        -0.061026      0.131400      0.128823
      6.18653      6.84692      3.54050        -0.075991     -0.117796     -0.135059
      4.27527      7.60696      4.32101        -0.086555      0.067870     -0.147214
      4.93375      5.66551      4.91002         0.090309     -0.141001      0.135844
     -0.26589      8.47566     21.02062        -0.058150     -0.212201      0.147267
      1.35399      7.15595     -0.86687        -0.090625      0.066997     -0.042485
      0.04916      6.57676      0.75366         0.056995     -0.173598      0.069486
     19.47200      9.55985     19.24650        -0.056902      0.002853     -0.086002
     19.55281     10.25233     17.16548        -0.022706      0.124647     -0.100320
     18.12709      8.72603     17.74709        -0.095631     -0.072476      0.099750
      4.81751      8.42269     20.01999         0.336297      0.014869      0.180275
      3.64321      6.89708     19.11269        -0.127592     -0.202020      0.124759
      4.65239      8.32520     17.82711         0.115204      0.003453     -0.230699
      3.13060     11.68562     14.18138        -0.013908     -0.029036      0.041730
      2.62921     11.35598     16.28578         0.151866     -0.064210      0.061911
      4.09730     10.08863     15.30410        -0.070438      0.120016     -0.081947
     17.22641     11.26502     13.51948        -0.183561     -0.034235      0.184641
     18.70336      9.91860     12.73814        -0.139802      0.008763      0.021934
     18.09996      9.76097     14.84605        -0.094939      0.002494     -0.000415
     16.25575     14.22542      9.82947         0.082450      0.062550     -0.235175
     17.92883     14.87588      8.53974         0.059973      0.091960     -0.106745
     16.36821     13.65831      7.69768        -0.006543      0.035583     -0.015757
      1.86931     12.63793     12.23042         0.056728      0.106217     -0.083578
      0.44922     11.14449     11.70292         0.001616      0.014217      0.053412
      1.41804     12.30986     10.12702         0.031986      0.130930     -0.183395
      1.21458     15.81558      6.66031        -0.094790      0.017281     -0.012234
      0.31207     15.55608      8.65473         0.090648      0.006761      0.064703
      1.84982     14.19588      7.98233         0.021074      0.038741     -0.179600
     17.98421     16.42656      2.46385         0.145202      0.088484     -0.038939
     19.42811     14.88636      3.02580         0.077074     -0.081503     -0.039597
     17.31580     14.73446      3.64084         0.003410      0.034603     -0.061340
 -----------------------------------------------------------------------------------
    total drift:                                0.001163     -0.003914     -0.000527


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4577.5966217588 eV

  energy  without entropy=    -4577.7504142273  energy(sigma->0) =    -4577.64788592
 
 d Force = 0.1966432E-01[-0.664E-03, 0.400E-01]  d Energy = 0.1955529E-01 0.109E-03
 d Force = 0.1689276E+03[ 0.169E+03, 0.169E+03]  d Ewald  = 0.1689276E+03-0.250E-04


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   82(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3160
 total energy-change (2. order) : 0.8510917E+00  (-0.6394419E+02)
 number of electron    2497.9999941 magnetization 
 augmentation part      162.7440912 magnetization 

  free energy =  -0.457674553652E+04  energy without entropy=  -0.457689876200E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   82(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3512
 total energy-change (2. order) :-0.1389656E+01  (-0.1644869E+01)
 number of electron    2497.9999940 magnetization 
 augmentation part      162.8127316 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8584
  0.8584

  free energy =  -0.457813519246E+04  energy without entropy=  -0.457828899497E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   82(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3752
 total energy-change (2. order) : 0.4482168E-01  (-0.3125090E-01)
 number of electron    2497.9999940 magnetization 
 augmentation part      162.7626426 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4153
  1.0710  1.7596

  free energy =  -0.457809037078E+04  energy without entropy=  -0.457824496827E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   82(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3568
 total energy-change (2. order) :-0.5720499E-02  (-0.2592351E-01)
 number of electron    2497.9999940 magnetization 
 augmentation part      162.7215782 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2900
  2.1930  0.8385  0.8385

  free energy =  -0.457809609128E+04  energy without entropy=  -0.457824987174E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   82(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3664
 total energy-change (2. order) :-0.1110493E-02  (-0.5113277E-02)
 number of electron    2497.9999940 magnetization 
 augmentation part      162.7295515 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3343
  2.3994  1.0201  1.0201  0.8977

  free energy =  -0.457809720178E+04  energy without entropy=  -0.457825198895E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   82(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3528
 total energy-change (2. order) : 0.1898860E-02  (-0.2707511E-02)
 number of electron    2497.9999940 magnetization 
 augmentation part      162.7317123 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2494
  2.4023  1.0586  1.0586  0.8637  0.8637

  free energy =  -0.457809530292E+04  energy without entropy=  -0.457824927385E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   82(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3528
 total energy-change (2. order) :-0.4593315E-04  (-0.4965846E-03)
 number of electron    2497.9999940 magnetization 
 augmentation part      162.7343639 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2308
  2.3925  0.9856  0.9856  1.1827  1.1827  0.6558

  free energy =  -0.457809534885E+04  energy without entropy=  -0.457825018926E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   82(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) : 0.1355671E-03  (-0.8063286E-04)
 number of electron    2497.9999940 magnetization 
 augmentation part      162.7380725 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2207
  2.4609  1.0657  1.0657  1.2553  1.2553  0.8375  0.6044

  free energy =  -0.457809521328E+04  energy without entropy=  -0.457824968147E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   82(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3624
 total energy-change (2. order) :-0.2875531E-04  (-0.4409842E-04)
 number of electron    2497.9999940 magnetization 
 augmentation part      162.7367850 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2140
  2.5044  1.5518  1.0195  1.0195  1.1656  0.9260  0.9260  0.5994

  free energy =  -0.457809524204E+04  energy without entropy=  -0.457824978213E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   82(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3432
 total energy-change (2. order) :-0.1163487E-04  (-0.6730862E-05)
 number of electron    2497.9999940 magnetization 
 augmentation part      162.7366260 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2111
  2.5669  1.8415  1.0767  1.0767  1.0909  0.9801  0.9801  0.6963  0.5911

  free energy =  -0.457809525367E+04  energy without entropy=  -0.457824979813E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   82(  11)  ---------------------------------------



 eigenvalue-minimisations  :  2872
 total energy-change (2. order) :-0.1443524E-04  (-0.3944091E-05)
 number of electron    2497.9999940 magnetization 
 augmentation part      162.7366039 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2051
  2.6082  1.9069  1.0365  1.0365  1.2529  0.9673  0.9673  0.9749  0.7048  0.5959

  free energy =  -0.457809526811E+04  energy without entropy=  -0.457824981231E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   82(  12)  ---------------------------------------



 eigenvalue-minimisations  :  2192
 total energy-change (2. order) :-0.1505626E-04  (-0.5109279E-06)
 number of electron    2497.9999940 magnetization 
 augmentation part      162.7365677 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2510
  2.5745  2.2360  1.6276  1.0380  1.0380  1.1432  0.9558  0.9558  0.9374  0.6612
  0.5938

  free energy =  -0.457809528316E+04  energy without entropy=  -0.457824982736E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   82(  13)  ---------------------------------------



 eigenvalue-minimisations  :  2232
 total energy-change (2. order) :-0.1750773E-04  (-0.5371067E-06)
 number of electron    2497.9999940 magnetization 
 augmentation part      162.7365980 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2695
  2.7830  2.4836  1.4313  1.4313  1.0252  1.0252  0.9486  0.9486  0.9517  0.9517
  0.6606  0.5935

  free energy =  -0.457809530067E+04  energy without entropy=  -0.457824984586E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   82(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2208
 total energy-change (2. order) :-0.1169866E-04  (-0.2137036E-06)
 number of electron    2497.9999940 magnetization 
 augmentation part      162.7365825 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3249
  3.2834  2.5682  1.5666  1.5666  1.0328  1.0328  1.0733  1.0733  0.9450  0.9450
  0.8820  0.5932  0.6618

  free energy =  -0.457809531237E+04  energy without entropy=  -0.457824985573E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   82(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2200
 total energy-change (2. order) :-0.8351577E-05  (-0.1339462E-06)
 number of electron    2497.9999940 magnetization 
 augmentation part      162.7365825 magnetization 

  free energy =  -0.457809532072E+04  energy without entropy=  -0.457824986379E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0282       2 -56.1002       3 -55.9910       4 -55.8307       5 -55.8286
       6 -56.2726       7 -58.1037       8 -58.2231       9 -56.2439      10 -55.9120
      11 -55.9945      12 -55.7984      13 -55.7774      14 -55.9411      15 -58.0691
      16 -58.1078      17 -56.3518      18 -55.0061      19 -54.8957      20 -55.0649
      21 -55.6361      22 -55.5794      23 -55.5879      24 -55.6145      25 -55.0199
      26 -54.7641      27 -54.9229      28 -54.9311      29 -60.3902      30 -60.3734
      31 -55.6805      32 -55.7923      33 -55.7026      34 -55.4325      35 -55.5214
      36 -56.0043      37 -57.8238      38 -57.9331      39 -56.1112      40 -55.8238
      41 -55.9482      42 -55.6933      43 -55.7463      44 -55.9278      45 -58.0694
      46 -58.1446      47 -56.4740      48 -55.1476      49 -54.9518      50 -55.2846
      51 -55.8834      52 -55.8298      53 -55.7512      54 -55.7275      55 -55.0420
      56 -54.8481      57 -54.9799      58 -56.3648      59 -60.3476      60 -60.6242
      61 -55.9666      62 -56.0361      63 -55.9090      64 -55.7892      65 -55.7360
      66 -56.1942      67 -58.0091      68 -58.1199      69 -56.1780      70 -55.8756
      71 -55.9598      72 -55.6851      73 -55.6800      74 -55.9000      75 -58.0307
      76 -58.0701      77 -56.2992      78 -55.0659      79 -54.8887      80 -55.1769
      81 -55.7718      82 -55.7799      83 -55.8696      84 -55.8874      85 -55.2791
      86 -55.0062      87 -55.1996      88 -56.3849      89 -60.6596      90 -60.3827
      91 -55.7596      92 -55.8752      93 -55.7829      94 -55.5459      95 -55.6130
      96 -56.1182      97 -57.9130      98 -57.9985      99 -56.2210     100 -55.9174
     101 -56.0542     102 -55.7260     103 -55.7917     104 -56.0087     105 -58.0979
     106 -58.1491     107 -56.4275     108 -55.1754     109 -54.9544     110 -55.3756
     111 -55.8804     112 -55.8266     113 -55.7405     114 -55.7091     115 -55.0327
     116 -54.8277     117 -54.9920     118 -56.2925     119 -60.4078     120 -60.5999
     121 -55.9591     122 -55.9798     123 -55.8597     124 -55.7786     125 -55.7815
     126 -56.1989     127 -58.0723     128 -58.1557     129 -56.1641     130 -55.7968
     131 -55.8902     132 -55.7099     133 -55.6357     134 -55.8021     135 -57.9108
     136 -58.0283     137 -56.3482     138 -55.0582     139 -54.9268     140 -55.3342
     141 -55.8708     142 -55.7924     143 -55.8683     144 -55.8453     145 -55.1862
     146 -55.0954     147 -55.2566     148 -56.3824     149 -60.4974     150 -60.5457
     151 -55.6525     152 -55.7363     153 -55.5911     154 -55.4397     155 -55.4757
     156 -55.9228     157 -57.9000     158 -57.9079     159 -56.0071     160 -55.7567
     161 -55.9314     162 -55.5569     163 -55.5692     164 -55.7908     165 -57.9264
     166 -58.0639     167 -56.3637     168 -55.0495     169 -54.8255     170 -55.1931
     171 -55.8349     172 -55.8676     173 -55.8630     174 -55.7875     175 -55.2751
     176 -55.0133     177 -55.1065     178 -56.4818     179 -60.4598     180 -60.5541
     181 -55.7990     182 -56.0400     183 -55.9133     184 -55.5947     185 -55.6282
     186 -56.1850     187 -57.9147     188 -58.1970     189 -56.2239     190 -55.8456
     191 -55.9934     192 -55.7199     193 -55.6967     194 -55.8868     195 -58.0110
     196 -58.1497     197 -56.5223     198 -55.0846     199 -54.9495     200 -55.3146
     201 -55.8424     202 -55.8519     203 -55.8998     204 -55.8556     205 -55.1082
     206 -55.2105     207 -55.1988     208 -56.4696     209 -60.6799     210 -60.5003
     211 -55.9921     212 -56.0303     213 -55.9242     214 -55.8305     215 -55.7813
     216 -56.2889     217 -58.1448     218 -58.1104     219 -56.1538     220 -55.8269
     221 -55.9379     222 -55.5784     223 -55.5249     224 -55.8097     225 -57.9538
     226 -58.1130     227 -56.4678     228 -55.0308     229 -54.9184     230 -55.2215
     231 -55.7397     232 -55.7422     233 -55.6953     234 -55.7105     235 -55.0060
     236 -55.0946     237 -55.2108     238 -56.4344     239 -60.3386     240 -60.4011
     241 -55.9929     242 -56.0318     243 -55.9164     244 -55.7788     245 -55.7780
     246 -56.2211     247 -58.0612     248 -58.1518     249 -56.2061     250 -55.8776
     251 -55.9803     252 -55.7563     253 -55.7530     254 -55.9317     255 -57.9964
     256 -58.0545     257 -56.3432     258 -55.0704     259 -54.8895     260 -55.2488
     261 -55.7834     262 -55.7726     263 -55.8377     264 -55.8688     265 -55.2396
     266 -54.9597     267 -55.1873     268 -56.3590     269 -60.6005     270 -60.3677
     271 -55.8693     272 -55.9302     273 -55.7921     274 -55.6715     275 -55.6221
     276 -56.0364     277 -58.0607     278 -58.0848     279 -55.9291     280 -55.6530
     281 -55.7721     282 -55.5046     283 -55.5297     284 -55.7926     285 -58.0332
     286 -57.9210     287 -56.3575     288 -55.0501     289 -54.8741     290 -55.2044
     291 -55.8248     292 -55.7842     293 -55.8420     294 -55.8363     295 -55.1980
     296 -54.9739     297 -55.0478     298 -56.4121     299 -60.5223     300 -60.5419
     301 -55.8714     302 -56.0219     303 -55.9302     304 -55.6520     305 -55.6809
     306 -56.1986     307 -58.0251     308 -58.2341     309 -56.2275     310 -55.9063
     311 -55.9803     312 -55.6965     313 -55.6848     314 -55.8648     315 -57.9556
     316 -58.1068     317 -56.3790     318 -55.0174     319 -54.8512     320 -55.2666
     321 -55.7719     322 -55.7375     323 -55.8571     324 -55.8664     325 -55.1886
     326 -55.0921     327 -55.2399     328 -56.4049     329 -60.5436     330 -60.4599
     331 -55.7025     332 -55.7377     333 -55.6242     334 -55.5472     335 -55.5333
     336 -55.9622     337 -57.9101     338 -57.9133     339 -55.8864     340 -55.6160
     341 -55.7389     342 -55.4671     343 -55.4838     344 -55.7322     345 -57.9121
     346 -57.9375     347 -56.4531     348 -55.0041     349 -54.9692     350 -55.2866
     351 -55.7849     352 -55.7351     353 -55.7302     354 -55.7348     355 -55.1755
     356 -54.9632     357 -55.0302     358 -56.4235     359 -60.4788     360 -60.5150
     361 -39.0703     362 -38.7897     363 -38.9178     364 -39.0271     365 -38.9441
     366 -38.7388     367 -38.0656     368 -38.0939     369 -38.0643     370 -38.1602
     371 -38.1609     372 -38.2043     373 -38.7239     374 -38.3459     375 -38.6862
     376 -38.8530     377 -38.8394     378 -38.7803     379 -38.1303     380 -38.1327
     381 -38.2854     382 -38.0206     383 -38.2358     384 -37.9349     385 -38.9226
     386 -38.7992     387 -38.9364     388 -38.9162     389 -38.8763     390 -38.5644
     391 -38.2501     392 -38.2484     393 -38.2231     394 -38.2745     395 -38.1518
     396 -38.3200     397 -38.7753     398 -38.5037     399 -38.7978     400 -38.9225
     401 -38.8361     402 -38.7895     403 -38.1904     404 -38.1875     405 -38.4412
     406 -38.0176     407 -38.0548     408 -37.9201     409 -38.8032     410 -38.7901
     411 -38.9631     412 -38.7567     413 -38.9503     414 -38.6583     415 -38.1806
     416 -38.3159     417 -38.2899     418 -38.2395     419 -38.2123     420 -38.3651
     421 -38.6506     422 -38.3638     423 -38.5882     424 -38.7678     425 -38.6012
     426 -38.5909     427 -38.2435     428 -38.0437     429 -38.3113     430 -38.2335
     431 -38.1012     432 -37.9979     433 -38.7690     434 -38.6316     435 -38.9037
     436 -38.7100     437 -38.9182     438 -38.6692     439 -38.3188     440 -38.1052
     441 -38.1912     442 -38.1290     443 -38.2064     444 -38.0927     445 -38.8603
     446 -38.8436     447 -38.9916     448 -38.7477     449 -38.8211     450 -38.3956
     451 -38.0484     452 -37.9543     453 -38.0973     454 -37.9354     455 -38.1113
     456 -38.2249     457 -38.9799     458 -38.7451     459 -38.8909     460 -38.9458
     461 -38.9041     462 -38.7321     463 -38.1537     464 -38.3142     465 -38.1829
     466 -38.3034     467 -38.0912     468 -38.2514     469 -38.9023     470 -38.6687
     471 -38.7438     472 -38.8297     473 -38.6195     474 -38.5530     475 -38.2852
     476 -38.0399     477 -38.2448     478 -38.1823     479 -38.1456     480 -37.9323
     481 -38.9053     482 -38.7239     483 -38.9353     484 -38.8919     485 -38.9578
     486 -38.7513     487 -38.0909     488 -38.1820     489 -38.2800     490 -38.3132
     491 -38.2340     492 -38.3343     493 -38.7858     494 -38.4992     495 -38.6324
     496 -38.7996     497 -38.5242     498 -38.4757     499 -38.1484     500 -37.9227
     501 -38.2699     502 -38.1339     503 -38.0783     504 -37.9898     505 -38.2862
     506 -41.0662     507 -71.6770     508 -71.5809     509 -71.3254     510 -71.5990
     511 -71.5223     512 -71.4836     513 -71.3958     514 -71.5493     515 -71.5380
     516 -71.4090     517 -71.4239     518 -71.4954     519 -71.4454     520 -71.5803
     521 -71.5217     522 -71.4525     523 -71.5451     524 -71.4749     525 -71.5242
     526 -71.4266     527 -71.6265     528 -71.4940     529 -71.1931     530 -71.5125
     531 -76.8883     532 -76.7424     533 -76.8070     534 -76.7511     535 -76.5639
     536 -76.5310     537 -76.8234     538 -76.7014     539 -76.7270     540 -76.6295
     541 -76.7597     542 -76.7041     543 -76.6406     544 -76.6259     545 -76.7987
     546 -76.6948     547 -76.8224     548 -76.7537     549 -76.7232     550 -76.5991
     551 -76.5702     552 -76.5780     553 -76.6447     554 -76.5929     555 -76.8358
     556 -76.6482     557 -76.8059     558 -76.7013     559 -76.7283     560 -76.8463
     561 -76.7562     562 -76.6380     563 -76.8290     564 -76.6916     565 -76.7230
     566 -76.6327     567 -76.7776     568 -76.7360     569 -76.5451     570 -76.7670
     571 -76.9004     572 -76.7089     573 -76.8152     574 -76.6348     575 -76.5831
     576 -76.5444     577 -76.5939     578 -76.5259     579 -82.2878     580 -82.3103
     581 -82.3271     582 -82.3401     583 -82.2935     584 -82.2590     585 -82.5236
     586 -82.5444     587 -82.5458     588 -82.1979     589 -82.1920     590 -82.2845
     591 -82.3067     592 -82.1960     593 -82.3563     594 -82.6332     595 -82.6121
     596 -82.4864     597 -82.5665     598 -82.4580     599 -82.5416     600 -82.3289
     601 -82.1448     602 -82.3394     603 -82.4568     604 -82.4305     605 -82.4114
     606 -82.4222     607 -82.2691     608 -82.4185     609 -82.6513     610 -82.2918
     611 -82.3517     612 -82.4035     613 -82.4044     614 -82.2399     615 -82.6455
     616 -82.4308     617 -82.4104     618 -82.5601     619 -82.7887     620 -82.5938
     621 -82.2054     622 -82.4131     623 -82.2662     624 -82.1498     625 -82.3400
     626 -82.2058     627 -82.1616     628 -82.2502     629 -82.3338     630 -82.3970
     631 -82.6575     632 -82.3973     633 -82.4673     634 -82.4689     635 -82.4571
     636 -82.3870     637 -82.4526     638 -82.3434     639 -82.3103     640 -82.4481
     641 -82.4265     642 -82.3398     643 -82.4925     644 -82.4287     645 -82.4388
     646 -82.3791     647 -82.5075     648 -82.3533     649 -82.4150     650 -82.3217
 
 
 
 E-fermi :  -1.4760     XC(G=0):  -6.5315     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.0391      2.00000
      2     -28.9284      2.00000
      3     -28.9230      2.00000
      4     -28.9050      2.00000
      5     -28.8808      2.00000
      6     -28.8455      2.00000
      7     -28.8320      2.00000
      8     -28.8235      2.00000
      9     -28.7992      2.00000
     10     -28.7732      2.00000
     11     -28.7687      2.00000
     12     -28.7462      2.00000
     13     -28.7376      2.00000
     14     -28.7221      2.00000
     15     -28.6941      2.00000
     16     -28.6879      2.00000
     17     -28.6742      2.00000
     18     -28.6404      2.00000
     19     -28.6329      2.00000
     20     -28.6187      2.00000
     21     -28.6056      2.00000
     22     -28.5847      2.00000
     23     -28.5770      2.00000
     24     -28.5605      2.00000
     25     -26.7877      2.00000
     26     -26.6867      2.00000
     27     -26.6610      2.00000
     28     -26.6369      2.00000
     29     -26.6183      2.00000
     30     -26.6050      2.00000
     31     -26.5918      2.00000
     32     -26.5835      2.00000
     33     -26.5812      2.00000
     34     -26.5576      2.00000
     35     -26.5521      2.00000
     36     -26.5315      2.00000
     37     -26.5296      2.00000
     38     -26.5276      2.00000
     39     -26.5229      2.00000
     40     -26.4910      2.00000
     41     -26.4879      2.00000
     42     -26.4834      2.00000
     43     -26.4747      2.00000
     44     -26.4725      2.00000
     45     -26.4702      2.00000
     46     -26.4576      2.00000
     47     -26.4433      2.00000
     48     -26.4191      2.00000
     49     -26.4165      2.00000
     50     -26.4114      2.00000
     51     -26.4064      2.00000
     52     -26.4019      2.00000
     53     -26.3968      2.00000
     54     -26.3874      2.00000
     55     -26.3804      2.00000
     56     -26.3661      2.00000
     57     -26.3659      2.00000
     58     -26.3613      2.00000
     59     -26.3581      2.00000
     60     -26.3470      2.00000
     61     -26.3425      2.00000
     62     -26.3213      2.00000
     63     -26.3179      2.00000
     64     -26.3133      2.00000
     65     -26.3014      2.00000
     66     -26.3006      2.00000
     67     -26.2953      2.00000
     68     -26.2501      2.00000
     69     -26.2343      2.00000
     70     -26.2296      2.00000
     71     -26.2286      2.00000
     72     -26.1979      2.00000
     73     -23.2535      2.00000
     74     -23.2179      2.00000
     75     -23.2145      2.00000
     76     -23.1928      2.00000
     77     -23.1775      2.00000
     78     -23.1751      2.00000
     79     -23.1747      2.00000
     80     -23.1568      2.00000
     81     -23.1530      2.00000
     82     -23.1460      2.00000
     83     -23.1383      2.00000
     84     -23.1165      2.00000
     85     -23.1140      2.00000
     86     -23.0925      2.00000
     87     -23.0818      2.00000
     88     -23.0610      2.00000
     89     -23.0538      2.00000
     90     -23.0251      2.00000
     91     -23.0063      2.00000
     92     -23.0032      2.00000
     93     -22.9943      2.00000
     94     -22.9717      2.00000
     95     -22.9637      2.00000
     96     -22.9442      2.00000
     97     -22.7841      2.00000
     98     -22.7771      2.00000
     99     -22.7741      2.00000
    100     -22.7729      2.00000
    101     -22.7580      2.00000
    102     -22.7469      2.00000
    103     -22.7132      2.00000
    104     -22.7126      2.00000
    105     -22.7054      2.00000
    106     -22.7054      2.00000
    107     -22.6861      2.00000
    108     -22.6813      2.00000
    109     -22.6800      2.00000
    110     -22.6603      2.00000
    111     -22.6348      2.00000
    112     -22.6119      2.00000
    113     -22.5812      2.00000
    114     -22.5539      2.00000
    115     -22.5412      2.00000
    116     -22.5254      2.00000
    117     -22.5253      2.00000
    118     -22.5205      2.00000
    119     -22.5149      2.00000
    120     -22.4897      2.00000
    121     -20.4607      2.00000
    122     -20.4082      2.00000
    123     -20.4023      2.00000
    124     -20.3682      2.00000
    125     -20.3543      2.00000
    126     -20.3392      2.00000
    127     -20.3388      2.00000
    128     -20.3302      2.00000
    129     -20.3184      2.00000
    130     -20.3097      2.00000
    131     -20.3057      2.00000
    132     -20.2819      2.00000
    133     -20.2782      2.00000
    134     -20.2774      2.00000
    135     -20.2572      2.00000
    136     -20.2374      2.00000
    137     -20.2200      2.00000
    138     -20.2132      2.00000
    139     -20.1867      2.00000
    140     -20.1363      2.00000
    141     -20.1262      2.00000
    142     -20.1156      2.00000
    143     -20.0990      2.00000
    144     -20.0606      2.00000
    145     -18.6462      2.00000
    146     -18.5562      2.00000
    147     -18.5541      2.00000
    148     -18.5484      2.00000
    149     -18.4858      2.00000
    150     -18.4758      2.00000
    151     -18.4707      2.00000
    152     -18.4659      2.00000
    153     -18.4521      2.00000
    154     -18.4293      2.00000
    155     -18.3999      2.00000
    156     -18.3812      2.00000
    157     -18.3271      2.00000
    158     -18.2732      2.00000
    159     -18.2542      2.00000
    160     -18.2419      2.00000
    161     -18.2130      2.00000
    162     -18.2053      2.00000
    163     -18.2033      2.00000
    164     -18.1840      2.00000
    165     -18.1521      2.00000
    166     -18.1400      2.00000
    167     -18.1191      2.00000
    168     -18.0751      2.00000
    169     -17.9361      2.00000
    170     -17.9226      2.00000
    171     -17.9129      2.00000
    172     -17.8873      2.00000
    173     -17.8679      2.00000
    174     -17.8527      2.00000
    175     -17.8365      2.00000
    176     -17.8283      2.00000
    177     -17.8057      2.00000
    178     -17.7735      2.00000
    179     -17.7570      2.00000
    180     -17.7484      2.00000
    181     -17.5912      2.00000
    182     -17.5786      2.00000
    183     -17.5541      2.00000
    184     -17.5247      2.00000
    185     -17.5209      2.00000
    186     -17.5123      2.00000
    187     -17.4984      2.00000
    188     -17.4905      2.00000
    189     -17.4835      2.00000
    190     -17.4604      2.00000
    191     -17.4526      2.00000
    192     -17.4391      2.00000
    193     -16.7430      2.00000
    194     -16.7150      2.00000
    195     -16.6979      2.00000
    196     -16.6838      2.00000
    197     -16.6557      2.00000
    198     -16.6263      2.00000
    199     -16.5861      2.00000
    200     -16.5795      2.00000
    201     -16.5496      2.00000
    202     -16.5192      2.00000
    203     -16.5033      2.00000
    204     -16.4806      2.00000
    205     -16.1540      2.00000
    206     -16.1514      2.00000
    207     -16.1369      2.00000
    208     -16.1077      2.00000
    209     -16.0738      2.00000
    210     -16.0472      2.00000
    211     -16.0017      2.00000
    212     -15.9729      2.00000
    213     -15.9497      2.00000
    214     -15.9121      2.00000
    215     -15.8905      2.00000
    216     -15.7902      2.00000
    217     -15.7518      2.00000
    218     -15.6899      2.00000
    219     -15.6566      2.00000
    220     -15.6414      2.00000
    221     -15.6282      2.00000
    222     -15.6038      2.00000
    223     -15.5926      2.00000
    224     -15.5887      2.00000
    225     -15.5760      2.00000
    226     -15.5678      2.00000
    227     -15.5174      2.00000
    228     -15.4733      2.00000
    229     -15.4484      2.00000
    230     -15.4430      2.00000
    231     -15.4371      2.00000
    232     -15.4289      2.00000
    233     -15.4215      2.00000
    234     -15.4193      2.00000
    235     -15.4068      2.00000
    236     -15.4002      2.00000
    237     -15.3965      2.00000
    238     -15.3854      2.00000
    239     -15.3790      2.00000
    240     -15.3686      2.00000
    241     -15.3640      2.00000
    242     -15.3569      2.00000
    243     -15.3408      2.00000
    244     -15.3346      2.00000
    245     -15.3294      2.00000
    246     -15.3128      2.00000
    247     -15.3062      2.00000
    248     -15.2993      2.00000
    249     -15.2918      2.00000
    250     -15.2838      2.00000
    251     -15.2780      2.00000
    252     -15.2708      2.00000
    253     -15.2613      2.00000
    254     -15.2446      2.00000
    255     -15.2417      2.00000
    256     -15.2352      2.00000
    257     -15.2276      2.00000
    258     -15.2204      2.00000
    259     -15.2101      2.00000
    260     -15.2065      2.00000
    261     -15.2043      2.00000
    262     -15.1984      2.00000
    263     -15.1666      2.00000
    264     -15.1604      2.00000
    265     -15.1378      2.00000
    266     -15.1287      2.00000
    267     -15.1213      2.00000
    268     -15.1128      2.00000
    269     -15.0799      2.00000
    270     -15.0637      2.00000
    271     -15.0115      2.00000
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   1407       4.2621      0.00000
   1408       4.2960      0.00000
   1409       4.3134      0.00000
   1410       4.3380      0.00000
   1411       4.3396      0.00000
   1412       4.3532      0.00000
   1413       4.3664      0.00000
   1414       4.3717      0.00000
   1415       4.3935      0.00000
   1416       4.4039      0.00000
   1417       4.4227      0.00000
   1418       4.4297      0.00000
   1419       4.4462      0.00000
   1420       4.4505      0.00000
   1421       4.4581      0.00000
   1422       4.4688      0.00000
   1423       4.4921      0.00000
   1424       4.5099      0.00000
   1425       4.5284      0.00000
   1426       4.5334      0.00000
   1427       4.5440      0.00000
   1428       4.5622      0.00000
   1429       4.5905      0.00000
   1430       4.6125      0.00000
   1431       4.6371      0.00000
   1432       4.6448      0.00000
   1433       4.6778      0.00000
   1434       4.7116      0.00000
   1435       4.7297      0.00000
   1436       4.7750      0.00000
   1437       4.7826      0.00000
   1438       4.7968      0.00000
   1439       4.8257      0.00000
   1440       4.8368      0.00000
   1441       4.8640      0.00000
   1442       4.8737      0.00000
   1443       4.9181      0.00000
   1444       4.9215      0.00000
   1445       4.9240      0.00000
   1446       4.9396      0.00000
   1447       4.9569      0.00000
   1448       4.9785      0.00000
   1449       5.0035      0.00000
   1450       5.0135      0.00000
   1451       5.0429      0.00000
   1452       5.0470      0.00000
   1453       5.0645      0.00000
   1454       5.0828      0.00000
   1455       5.0904      0.00000
   1456       5.1052      0.00000
   1457       5.1416      0.00000
   1458       5.1460      0.00000
   1459       5.1578      0.00000
   1460       5.1819      0.00000
   1461       5.1880      0.00000
   1462       5.2066      0.00000
   1463       5.2320      0.00000
   1464       5.2356      0.00000
   1465       5.2500      0.00000
   1466       5.2627      0.00000
   1467       5.2707      0.00000
   1468       5.2734      0.00000
   1469       5.2951      0.00000
   1470       5.3138      0.00000
   1471       5.3160      0.00000
   1472       5.3285      0.00000
   1473       5.3363      0.00000
   1474       5.3384      0.00000
   1475       5.3534      0.00000
   1476       5.3560      0.00000
   1477       5.3701      0.00000
   1478       5.3812      0.00000
   1479       5.3886      0.00000
   1480       5.4018      0.00000
   1481       5.4091      0.00000
   1482       5.4150      0.00000
   1483       5.4203      0.00000
   1484       5.4339      0.00000
   1485       5.4472      0.00000
   1486       5.4494      0.00000
   1487       5.4680      0.00000
   1488       5.4772      0.00000
   1489       5.4805      0.00000
   1490       5.4921      0.00000
   1491       5.4988      0.00000
   1492       5.5114      0.00000
   1493       5.5142      0.00000
   1494       5.5241      0.00000
   1495       5.5303      0.00000
   1496       5.5355      0.00000
   1497       5.5414      0.00000
   1498       5.5520      0.00000
   1499       5.5599      0.00000
   1500       5.5659      0.00000
   1501       5.5785      0.00000
   1502       5.5833      0.00000
   1503       5.6033      0.00000
   1504       5.6086      0.00000
   1505       5.6160      0.00000
   1506       5.6226      0.00000
   1507       5.6364      0.00000
   1508       5.6377      0.00000
   1509       5.6418      0.00000
   1510       5.6521      0.00000
   1511       5.6569      0.00000
   1512       5.6679      0.00000
   1513       5.6793      0.00000
   1514       5.6835      0.00000
   1515       5.7071      0.00000
   1516       5.7223      0.00000
   1517       5.7243      0.00000
   1518       5.7313      0.00000
   1519       5.7351      0.00000
   1520       5.7465      0.00000
   1521       5.7570      0.00000
   1522       5.7627      0.00000
   1523       5.7733      0.00000
   1524       5.7860      0.00000
   1525       5.7972      0.00000
   1526       5.8003      0.00000
   1527       5.8151      0.00000
   1528       5.8249      0.00000
   1529       5.8358      0.00000
   1530       5.8393      0.00000
   1531       5.8514      0.00000
   1532       5.8592      0.00000
   1533       5.8725      0.00000
   1534       5.8777      0.00000
   1535       5.8914      0.00000
   1536       5.9042      0.00000
   1537       5.9079      0.00000
   1538       5.9115      0.00000
   1539       5.9247      0.00000
   1540       5.9361      0.00000
   1541       5.9533      0.00000
   1542       5.9642      0.00000
   1543       5.9765      0.00000
   1544       5.9770      0.00000
   1545       5.9862      0.00000
   1546       5.9928      0.00000
   1547       5.9958      0.00000
   1548       6.0101      0.00000
   1549       6.0268      0.00000
   1550       6.0357      0.00000
   1551       6.0389      0.00000
   1552       6.0436      0.00000
   1553       6.0506      0.00000
   1554       6.0637      0.00000
   1555       6.0766      0.00000
   1556       6.0788      0.00000
   1557       6.0888      0.00000
   1558       6.1082      0.00000
   1559       6.1102      0.00000
   1560       6.1170      0.00000
   1561       6.1261      0.00000
   1562       6.1341      0.00000
   1563       6.1439      0.00000
   1564       6.1519      0.00000
   1565       6.1601      0.00000
   1566       6.1712      0.00000
   1567       6.1858      0.00000
   1568       6.1885      0.00000
   1569       6.2026      0.00000
   1570       6.2103      0.00000
   1571       6.2200      0.00000
   1572       6.2262      0.00000
   1573       6.2302      0.00000
   1574       6.2357      0.00000
   1575       6.2446      0.00000
   1576       6.2613      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.087  13.411  -0.001   0.001  -0.000   0.002  -0.004   0.001
 13.411  17.830  -0.001   0.002  -0.000   0.002  -0.006   0.001
 -0.001  -0.001  -4.232   0.003   0.001   8.278  -0.005  -0.001
  0.001   0.002   0.003  -4.232   0.001  -0.005   8.277  -0.001
 -0.000  -0.000   0.001   0.001  -4.225  -0.001  -0.001   8.269
  0.002   0.002   8.278  -0.005  -0.001 -18.321   0.007   0.001
 -0.004  -0.006  -0.005   8.277  -0.001   0.007 -18.317   0.000
  0.001   0.001  -0.001  -0.001   8.269   0.001   0.000 -18.311
 total augmentation occupancy for first ion, spin component:           1
  8.453  -3.807   0.178   0.134  -0.068   0.022   0.025  -0.011
 -3.807   1.787  -0.091  -0.094   0.042  -0.010  -0.015   0.006
  0.178  -0.091   1.777  -0.064  -0.036   0.168  -0.012  -0.006
  0.134  -0.094  -0.064   1.898  -0.097  -0.012   0.177  -0.013
 -0.068   0.042  -0.036  -0.097   1.229  -0.007  -0.013   0.081
  0.022  -0.010   0.168  -0.012  -0.007   0.018  -0.002  -0.001
  0.025  -0.015  -0.012   0.177  -0.013  -0.002   0.018  -0.002
 -0.011   0.006  -0.006  -0.013   0.081  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -49004.31116 84113.74722 19121.27126 -9364.10456  6099.83290 17849.91251
  Hartree  6772.32762111071.00735 56917.31807 -9811.99410  4087.64131 12058.30759
  E(xc)  -10736.67772-10588.74925-10630.76873     2.76229     8.27578    33.85416
  Local    8800.73617************************ 19175.87061-10210.54828-29287.75637
  n-local -5843.15146 -5983.74505 -6039.67067     5.75306    16.99076   -67.94724
  augment  1493.55511  1535.52644  1487.18462     4.37468    12.50048    -4.26267
  Kinetic 45485.02983 43265.61054 43667.14160   -36.11392   -68.67081  -586.34802
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -124.6329001   -387.4130848   -143.5191977    -23.4519374    -53.9778755     -4.2400345
  in kB      -20.7835337    -64.6042329    -23.9329750     -3.9107983     -9.0012428     -0.7070597
  external PRESSURE =     -36.4402472 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.221E+03 -.104E+03 0.238E+03   0.221E+03 0.105E+03 -.240E+03   -.323E+00 -.612E+00 0.157E+01   0.417E-03 0.366E-04 -.879E-04
   -.176E+03 -.130E+03 0.568E+02   0.176E+03 0.132E+03 -.565E+02   0.227E+00 -.121E+01 -.290E+00   0.282E-03 0.124E-04 -.784E-04
   -.144E+03 -.121E+03 0.507E+01   0.143E+03 0.122E+03 -.350E+01   0.337E+00 -.126E+01 -.169E+01   0.230E-03 -.583E-04 -.326E-04
   -.203E+03 -.911E+02 0.327E+03   0.204E+03 0.913E+02 -.329E+03   -.199E+00 0.328E-02 0.254E+01   0.526E-03 -.617E-04 -.161E-03
   -.154E+03 -.143E+03 0.291E+03   0.154E+03 0.143E+03 -.292E+03   0.119E+00 -.890E+00 0.102E+01   0.360E-03 -.107E-03 -.115E-03
   -.130E+03 -.108E+03 0.167E+03   0.130E+03 0.108E+03 -.168E+03   0.158E+00 -.189E+00 0.108E+00   0.206E-03 -.971E-04 -.338E-04
   -.219E+03 -.130E+03 0.167E+03   0.219E+03 0.134E+03 -.169E+03   0.497E+00 -.448E+01 0.980E+00   0.421E-03 0.107E-03 -.132E-03
   -.172E+03 -.101E+03 0.317E+02   0.173E+03 0.105E+03 -.339E+02   -.456E+00 -.406E+01 0.210E+01   0.253E-03 0.846E-04 -.129E-03
   -.913E+02 0.356E+01 0.195E+03   0.913E+02 -.357E+01 -.195E+03   0.903E-01 -.812E-01 0.157E+00   0.797E-04 -.294E-04 -.397E-04
   -.732E+02 0.884E+02 0.598E+02   0.728E+02 -.900E+02 -.587E+02   0.427E+00 0.167E+01 -.115E+01   0.736E-04 -.144E-04 0.645E-04
   -.751E+02 0.102E+03 0.128E+03   0.748E+02 -.103E+03 -.128E+03   0.304E+00 0.110E+01 0.288E-01   0.154E-04 0.644E-05 0.143E-05
   -.912E+02 -.574E+01 0.326E+03   0.913E+02 0.548E+01 -.327E+03   -.722E-01 0.338E+00 0.126E+01   0.472E-04 0.906E-04 -.162E-03
   -.981E+02 -.486E+02 0.354E+03   0.984E+02 0.495E+02 -.356E+03   -.168E+00 -.104E+01 0.229E+01   -.130E-04 0.231E-03 -.259E-03
   -.982E+02 0.155E+02 0.293E+03   0.983E+02 -.155E+02 -.295E+03   -.153E+00 0.612E-02 0.159E+01   -.388E-04 0.119E-03 -.152E-03
   -.881E+02 0.976E+02 0.257E+03   0.873E+02 -.102E+03 -.260E+03   0.808E+00 0.382E+01 0.243E+01   0.616E-05 0.133E-03 -.200E-03
   -.700E+02 0.112E+03 0.997E+02   0.699E+02 -.115E+03 -.104E+03   0.229E+00 0.298E+01 0.350E+01   0.776E-04 -.398E-04 0.696E-04
   -.574E+02 0.960E+02 0.443E+02   0.579E+02 -.915E+02 -.401E+02   -.568E+00 -.467E+01 -.437E+01   0.827E-04 0.133E-04 -.311E-04
   0.101E+02 0.198E+03 -.155E+03   -.106E+02 -.200E+03 0.157E+03   0.630E+00 0.196E+01 -.201E+01   0.130E-03 -.943E-04 0.558E-04
   0.374E+02 0.152E+03 -.198E+03   -.378E+02 -.152E+03 0.200E+03   0.331E+00 0.304E+00 -.178E+01   0.109E-03 -.768E-04 0.221E-04
   -.610E+02 0.965E+02 0.176E+03   0.621E+02 -.956E+02 -.179E+03   -.118E+01 -.883E+00 0.335E+01   0.433E-04 -.279E-04 -.653E-04
   0.814E+01 0.604E+02 0.335E+01   -.937E+01 -.619E+02 -.185E+01   0.112E+01 0.152E+01 -.111E+01   0.328E-04 -.111E-03 -.585E-04
   0.248E+02 0.109E+02 -.120E+03   -.248E+02 -.113E+02 0.121E+03   0.649E-01 0.990E-01 -.952E+00   0.634E-04 -.120E-03 -.452E-04
   -.834E+01 -.407E+02 -.167E+03   0.879E+01 0.409E+02 0.167E+03   -.392E+00 -.270E+00 0.482E+00   0.478E-04 -.112E-03 0.244E-05
   -.232E+02 -.804E+02 -.224E+03   0.243E+02 0.821E+02 0.223E+03   -.114E+01 -.186E+01 0.102E+01   -.169E-04 -.314E-04 0.180E-03
   -.213E+01 -.161E+03 -.325E+03   0.154E+01 0.162E+03 0.327E+03   0.607E+00 -.833E+00 -.176E+01   -.159E-04 0.686E-04 0.389E-03
   -.904E+02 -.161E+03 -.150E+03   0.917E+02 0.161E+03 0.149E+03   -.126E+01 -.142E+00 0.164E+01   0.848E-04 -.458E-04 0.366E-04
   -.856E+02 -.271E+03 -.181E+03   0.862E+02 0.272E+03 0.181E+03   -.478E+00 -.831E+00 0.299E+00   0.106E-03 0.340E-05 0.180E-03
   -.311E+02 -.262E+03 -.275E+03   0.311E+02 0.263E+03 0.276E+03   0.230E-01 -.127E+01 -.408E+00   0.637E-04 0.554E-04 0.380E-03
   -.428E+02 -.286E+02 -.212E+03   0.487E+02 0.366E+02 0.208E+03   -.597E+01 -.800E+01 0.475E+01   0.966E-05 0.112E-04 0.204E-03
   -.178E+01 0.484E+02 0.185E+02   -.289E+01 -.569E+02 -.134E+02   0.448E+01 0.853E+01 -.502E+01   0.183E-04 -.848E-04 -.209E-03
   -.172E+03 -.185E+02 -.507E+02   0.172E+03 0.186E+02 0.522E+02   -.217E+00 -.806E-01 -.161E+01   -.224E-04 0.869E-04 -.481E-04
   -.110E+03 -.138E+03 0.134E+03   0.110E+03 0.140E+03 -.134E+03   0.135E+00 -.138E+01 -.213E+00   -.198E-04 -.214E-04 0.182E-04
   -.118E+03 -.153E+03 0.191E+03   0.117E+03 0.155E+03 -.192E+03   0.441E+00 -.176E+01 0.117E+01   0.368E-05 -.227E-04 0.496E-04
   -.271E+03 0.162E+02 -.179E+03   0.271E+03 -.175E+02 0.182E+03   -.189E+00 0.136E+01 -.251E+01   0.390E-05 0.112E-03 -.834E-04
   -.270E+03 -.563E+02 -.186E+03   0.270E+03 0.564E+02 0.187E+03   -.221E+00 -.205E+00 -.111E+01   0.887E-04 0.670E-04 -.411E-05
   -.183E+03 -.707E+02 0.803E+01   0.183E+03 0.706E+02 -.801E+01   0.409E+00 0.132E+00 0.338E-01   0.481E-04 0.765E-05 0.256E-04
   -.897E+02 -.547E+02 -.215E+02   0.906E+02 0.593E+02 0.237E+02   -.873E+00 -.396E+01 -.251E+01   -.415E-04 0.667E-04 -.959E-04
   -.607E+02 -.133E+03 0.104E+03   0.607E+02 0.136E+03 -.101E+03   -.815E-01 -.308E+01 -.361E+01   -.150E-04 -.298E-04 0.501E-04
   -.158E+03 0.493E+02 0.130E+02   0.158E+03 -.496E+02 -.131E+02   0.962E-01 0.256E+00 0.923E-01   0.681E-04 0.633E-05 0.429E-04
   -.792E+02 0.505E+02 0.216E+03   0.790E+02 -.515E+02 -.218E+03   0.296E+00 0.121E+01 0.185E+01   0.340E-04 0.281E-04 0.986E-05
   -.529E+02 0.716E+02 0.131E+03   0.528E+02 -.730E+02 -.132E+03   0.224E+00 0.138E+01 0.254E+00   0.179E-04 0.397E-04 -.524E-05
   -.197E+03 0.971E+02 -.211E+03   0.197E+03 -.980E+02 0.212E+03   -.969E-01 0.958E+00 -.827E+00   0.141E-03 -.333E-06 0.537E-04
   -.167E+03 0.513E+02 -.285E+03   0.167E+03 -.516E+02 0.287E+03   -.166E+00 0.286E+00 -.232E+01   0.133E-03 -.326E-04 0.340E-04
   -.953E+02 0.564E+02 -.133E+03   0.955E+02 -.573E+02 0.134E+03   -.244E+00 0.813E+00 -.148E+01   0.439E-04 -.209E-05 0.810E-05
   -.487E+02 0.961E+02 -.684E+02   0.488E+02 -.101E+03 0.692E+02   -.130E+00 0.473E+01 -.479E+00   0.544E-05 0.534E-04 -.581E-05
   -.154E+02 0.782E+02 0.141E+03   0.151E+02 -.827E+02 -.139E+03   0.213E+00 0.442E+01 -.197E+01   0.828E-05 0.623E-04 -.584E-04
   0.280E+02 0.421E+02 0.108E+03   -.263E+02 -.365E+02 -.110E+03   -.170E+01 -.571E+01 0.184E+01   0.160E-04 0.620E-04 -.544E-04
   -.171E+02 0.129E+03 0.266E+03   0.181E+02 -.130E+03 -.268E+03   -.932E+00 0.109E+01 0.251E+01   0.825E-04 -.149E-04 -.590E-04
   -.336E+02 0.118E+03 0.222E+03   0.347E+02 -.117E+03 -.224E+03   -.989E+00 -.502E+00 0.201E+01   0.821E-04 -.962E-04 -.210E-04
   0.588E+02 0.638E+02 -.313E+02   -.601E+02 -.639E+02 0.342E+02   0.153E+01 0.288E+00 -.290E+01   -.287E-04 0.226E-04 -.595E-04
   0.137E+02 0.239E+02 0.389E+02   -.132E+02 -.250E+02 -.409E+02   -.456E+00 0.116E+01 0.189E+01   -.518E-04 -.893E-04 -.493E-04
   -.161E+02 0.699E+01 0.832E+02   0.166E+02 -.683E+01 -.840E+02   -.380E+00 -.317E+00 0.701E+00   -.619E-06 -.992E-04 -.209E-04
   -.704E+02 -.124E+01 0.318E+02   0.703E+02 0.122E+01 -.313E+02   0.137E+00 0.134E+00 -.545E+00   0.385E-04 -.350E-04 -.596E-04
   -.134E+03 -.120E+02 0.726E+02   0.133E+03 0.128E+02 -.710E+02   0.820E+00 -.893E+00 -.149E+01   0.102E-03 -.431E-04 -.553E-04
   -.220E+03 -.669E+02 0.138E+03   0.222E+03 0.670E+02 -.141E+03   -.172E+01 -.871E-01 0.319E+01   0.157E-03 0.118E-05 -.536E-04
   -.690E+02 -.104E+03 -.113E+03   0.682E+02 0.103E+03 0.115E+03   0.686E+00 0.454E+00 -.166E+01   0.244E-04 -.449E-04 -.143E-03
   -.971E+02 -.108E+03 -.163E+03   0.962E+02 0.109E+03 0.166E+03   0.829E+00 -.122E+01 -.291E+01   0.823E-04 -.324E-04 -.156E-03
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   0.585E+03 0.172E+03 0.183E+02   -.636E+03 -.173E+03 -.249E+02   0.503E+02 0.201E+01 0.655E+01   0.172E-03 0.170E-03 0.707E-04
   0.789E+01 0.130E+03 -.305E+03   0.259E+01 -.152E+03 0.351E+03   -.105E+02 0.223E+02 -.462E+02   0.487E-04 0.183E-04 -.796E-04
   -.358E+03 -.108E+03 0.314E+03   0.380E+03 0.128E+03 -.358E+03   -.221E+02 -.203E+02 0.440E+02   -.353E-03 0.130E-04 -.758E-04
   -.442E+03 0.342E+03 -.844E+02   0.475E+03 -.382E+03 0.968E+02   -.323E+02 0.403E+02 -.124E+02   -.429E-03 0.791E-04 -.124E-03
   0.190E+03 0.307E+03 0.158E+03   -.235E+03 -.327E+03 -.178E+03   0.451E+02 0.190E+02 0.192E+02   -.727E-04 0.611E-04 -.632E-04
   0.463E+03 -.210E+03 0.877E+02   -.486E+03 0.245E+03 -.525E+02   0.222E+02 -.351E+02 -.351E+02   0.324E-03 -.320E-03 0.426E-03
   0.154E+03 -.208E+03 0.248E+03   -.125E+03 0.238E+03 -.277E+03   -.292E+02 -.298E+02 0.300E+02   0.596E-03 -.371E-03 0.224E-03
   0.770E+03 0.156E+03 0.461E+03   -.811E+03 -.173E+03 -.491E+03   0.412E+02 0.178E+02 0.302E+02   0.309E-03 -.719E-03 0.262E-03
   0.103E+03 -.149E+03 -.413E+03   -.905E+02 0.161E+03 0.464E+03   -.127E+02 -.129E+02 -.511E+02   0.131E-03 0.420E-04 -.191E-03
   0.486E+03 0.399E+03 -.180E+03   -.525E+03 -.434E+03 0.185E+03   0.395E+02 0.352E+02 -.546E+01   0.273E-03 0.257E-03 -.294E-04
   -.114E+03 0.219E+03 0.814E+02   0.155E+03 -.244E+03 -.972E+02   -.414E+02 0.251E+02 0.160E+02   -.126E-04 0.215E-03 -.472E-04
   -.559E+03 -.188E+03 0.425E+03   0.609E+03 0.201E+03 -.435E+03   -.496E+02 -.134E+02 0.102E+02   -.294E-03 -.103E-03 0.156E-03
   0.167E+02 -.394E+03 0.484E+02   -.405E+02 0.438E+03 -.282E+02   0.237E+02 -.443E+02 -.203E+02   0.763E-04 -.768E-04 0.159E-03
   -.563E+02 0.133E+03 -.459E+02   0.571E+02 -.165E+03 0.882E+02   -.628E+00 0.323E+02 -.423E+02   0.206E-06 0.211E-04 0.192E-05
   0.765E+03 -.174E+03 0.835E+02   -.805E+03 0.206E+03 -.102E+03   0.394E+02 -.317E+02 0.188E+02   0.757E-03 -.534E-04 -.608E-03
   0.181E+03 0.292E+03 0.250E+03   -.158E+03 -.310E+03 -.292E+03   -.224E+02 0.173E+02 0.423E+02   0.413E-03 -.137E-03 -.125E-03
   0.645E+03 0.393E+03 0.171E+03   -.672E+03 -.436E+03 -.150E+03   0.272E+02 0.425E+02 -.207E+02   0.562E-03 -.534E-03 -.250E-03
   0.615E+03 -.197E+03 -.387E+03   -.613E+03 0.214E+03 0.438E+03   -.245E+01 -.169E+02 -.512E+02   -.288E-03 0.273E-03 -.754E-03
   0.494E+03 -.382E+03 -.317E+02   -.491E+03 0.423E+03 0.106E+01   -.314E+01 -.407E+02 0.306E+02   -.545E-03 0.135E-03 -.563E-04
   0.920E+03 0.150E+03 -.106E+03   -.971E+03 -.164E+03 0.987E+02   0.509E+02 0.145E+02 0.697E+01   -.108E-02 -.303E-03 -.632E-03
   -.473E+03 -.240E+02 -.322E+03   0.507E+03 0.316E+02 0.362E+03   -.333E+02 -.759E+01 -.400E+02   0.335E-04 0.343E-04 0.541E-04
   -.457E+02 0.482E+03 -.617E+02   0.355E+02 -.535E+03 0.689E+02   0.101E+02 0.526E+02 -.715E+01   0.175E-03 -.157E-04 0.973E-04
   -.260E+03 -.455E+02 0.212E+03   0.286E+03 0.494E+02 -.258E+03   -.263E+02 -.395E+01 0.457E+02   0.599E-04 0.170E-03 0.163E-03
   -.260E+03 -.361E+03 0.357E+02   0.269E+03 0.399E+03 -.719E+02   -.821E+01 -.381E+02 0.363E+02   0.157E-03 0.855E-04 -.341E-04
   0.186E+02 -.374E+03 -.320E+03   -.275E+02 0.397E+03 0.367E+03   0.915E+01 -.228E+02 -.464E+02   0.152E-03 0.118E-03 0.105E-03
   -.469E+03 -.152E+02 -.702E+01   0.515E+03 -.753E+01 0.140E+02   -.463E+02 0.228E+02 -.706E+01   0.128E-03 0.155E-03 0.680E-04
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   0.686E+03 0.292E+03 -.393E+03   -.698E+03 -.326E+03 0.432E+03   0.120E+02 0.343E+02 -.393E+02   -.127E-02 -.575E-03 -.793E-04
   0.383E+03 -.882E+02 -.607E+03   -.415E+03 0.103E+03 0.644E+03   0.326E+02 -.143E+02 -.374E+02   0.460E-04 -.268E-03 0.626E-04
   -.144E+02 -.383E+03 -.853E+02   0.461E+02 0.424E+03 0.728E+02   -.317E+02 -.407E+02 0.125E+02   0.561E-04 -.131E-03 -.527E-04
   0.236E+03 0.138E+03 0.167E+03   -.265E+03 -.143E+03 -.212E+03   0.292E+02 0.536E+01 0.453E+02   0.151E-04 -.227E-03 -.308E-04
   -.254E+03 -.194E+03 -.373E+03   0.294E+03 0.201E+03 0.407E+03   -.398E+02 -.719E+01 -.344E+02   -.572E-04 -.431E-04 -.139E-03
   0.210E+03 0.328E+03 -.235E+03   -.222E+03 -.377E+03 0.249E+03   0.126E+02 0.490E+02 -.138E+02   0.735E-05 0.228E-04 -.273E-03
   -.679E+02 -.991E+02 0.143E+03   0.892E+02 0.952E+02 -.191E+03   -.212E+02 0.405E+01 0.484E+02   -.119E-03 -.109E-03 0.661E-04
   -.191E+03 -.437E+03 0.356E+03   0.208E+03 0.474E+03 -.391E+03   -.172E+02 -.370E+02 0.341E+02   0.328E-04 -.131E-03 -.153E-03
   0.110E+03 -.429E+03 -.242E+03   -.125E+03 0.453E+03 0.285E+03   0.151E+02 -.239E+02 -.422E+02   -.136E-03 -.199E-03 0.532E-04
   -.299E+03 -.940E+02 0.668E+02   0.343E+03 0.672E+02 -.510E+02   -.439E+02 0.268E+02 -.160E+02   0.224E-03 -.293E-03 0.861E-04
   0.130E+03 -.251E+03 0.765E+03   -.144E+03 0.282E+03 -.806E+03   0.149E+02 -.313E+02 0.409E+02   -.297E-03 -.401E-04 -.703E-03
   -.100E+03 0.178E+03 0.479E+03   0.142E+03 -.206E+03 -.497E+03   -.411E+02 0.278E+02 0.181E+02   -.137E-03 0.109E-03 -.228E-03
   0.269E+03 0.348E+03 0.435E+03   -.310E+03 -.379E+03 -.431E+03   0.408E+02 0.312E+02 -.354E+01   -.245E-03 -.194E-04 -.383E-03
 -----------------------------------------------------------------------------------------------
   0.364E+02 0.608E+01 -.119E+02   0.136E-11 0.341E-12 0.927E-11   -.364E+02 -.608E+01 0.119E+02   -.633E-02 -.794E-02 0.141E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.20854      3.15643      1.33782        -0.096352     -0.026127      0.153009
     12.96106      3.59832      2.63602        -0.016620      0.017821      0.032686
     12.89399      4.95884      2.95606        -0.017537     -0.076265     -0.118804
     13.26028      4.06781      0.29114         0.084780      0.129473      0.042011
     13.13858      5.43178      0.59724         0.101012     -0.127326     -0.065922
     13.02334      5.92748      1.92281         0.061511     -0.003710     -0.058459
     13.32124      1.67181      1.35464         0.107589     -0.065794     -0.147262
     12.75895      2.38898      3.49807         0.173019      0.025182     -0.073586
     13.09818      7.40763      2.20360         0.014479     -0.089402     -0.041065
     13.09326      7.92502      3.52534         0.080414      0.115570     -0.043959
     13.30751      9.28963      3.72947         0.037936     -0.030570      0.001226
     13.26510      8.34381      1.14731         0.046723      0.080999      0.081743
     13.47767      9.71246      1.36309         0.059320     -0.107849      0.012348
     13.51936     10.17131      2.67441        -0.060046     -0.037511      0.136873
     13.76763     11.53406      3.22291         0.052680     -0.231436      0.104410
     13.38529     10.06771      5.00666         0.129212      0.087179     -0.574587
     13.75245     12.52480      5.58001        -0.071404     -0.177411     -0.120171
     13.48418     12.37177      6.94502         0.062320      0.039450      0.189069
     13.56376     13.47023      7.80340        -0.035068      0.112043      0.157587
     14.10477     13.81156      5.14907        -0.059971     -0.005873      0.080484
     14.17437     14.90668      6.01996        -0.109107      0.058626      0.392261
     13.86851     14.79592      7.42642         0.004175     -0.286968     -0.221037
     13.91047     15.91177      8.45559         0.062447     -0.090524     -0.015725
     13.21172     15.98597      9.71155        -0.082259     -0.185270      0.074717
     13.27240     17.14676     10.50197         0.018527     -0.147655     -0.063307
     14.72568     17.02846      8.19316         0.036739     -0.044151      0.076838
     14.73592     18.19620      8.94588         0.094592     -0.038411     -0.005045
     13.97940     18.27480     10.10255        -0.047582     -0.085370      0.015317
     12.39431     14.86579     10.33128        -0.086593      0.026130      0.095478
     14.73055     16.13692      5.33745        -0.193683     -0.020261      0.062881
      9.87924      3.84271      4.68168         0.011852      0.043461     -0.066708
      9.70727      4.76490      3.64914         0.025614     -0.148756     -0.020418
      9.71619      6.15072      3.88908         0.053489     -0.144700      0.097557
     10.16602      4.27729      5.97326         0.032739     -0.021964     -0.140831
     10.25393      5.65259      6.20055        -0.002569     -0.022221     -0.021543
      9.99281      6.63174      5.20022         0.098754      0.026055      0.044769
      9.69467      2.45498      4.15230         0.000608      0.633655     -0.308312
      9.57307      3.97466      2.36903        -0.067401      0.117704     -0.040330
     10.04824      8.09980      5.57235         0.006918     -0.098057      0.021406
     10.05588      9.15291      4.62097         0.063925      0.126637      0.087455
     10.15779     10.47903      5.05912         0.089847     -0.018046     -0.116381
     10.09594      8.48739      6.94009        -0.028214      0.027518     -0.088587
     10.17397      9.81698      7.37268        -0.058455      0.065324     -0.150634
     10.21698     10.82349      6.40922         0.016317     -0.104439     -0.208985
     10.29000     12.30635      6.51946        -0.103979      0.332851      0.337170
     10.24774     11.74252      4.25871        -0.141563     -0.042688      0.099829
     10.68624     14.19457      4.82676         0.024416     -0.108945     -0.078916
     11.23311     14.52407      3.57942         0.059822      0.030556      0.029940
     11.60352     15.84197      3.29676         0.045878     -0.050957     -0.060773
     10.53969     15.26167      5.72684         0.193569      0.105604     -0.006580
     10.95218     16.58190      5.44639         0.050928      0.055598     -0.098225
     11.53274     16.95211      4.17023         0.111431     -0.154853     -0.182370
     12.06402     18.31741      3.70177         0.070265      0.116676     -0.014015
     12.69392     18.70558      2.44589        -0.170900     -0.109312      0.125263
     12.99488     20.05095      2.17523        -0.085959      0.045066     -0.036864
     11.93829     19.42487      4.56781        -0.038421      0.028736      0.072398
     12.22355     20.76235      4.30157        -0.004914      0.105428     -0.056265
     12.73488     21.11732      3.05002        -0.085009      0.161951      0.125376
     13.19061     17.81253      1.29858        -0.140286      0.167073      0.041188
     10.76946     17.50523      6.64452        -0.059334     -0.263914      0.042180
     10.65690      7.07513     14.83521        -0.125953     -0.233157      0.190499
     10.57934      7.50055     16.16256         0.014953     -0.111634     -0.036638
     10.59015      8.85806     16.49811         0.000819      0.218311     -0.129631
     10.64928      7.99695     13.79753         0.008411      0.107216      0.068735
     10.59959      9.35648     14.13392         0.103247     -0.242170     -0.188484
     10.61913      9.84311     15.46115         0.003692     -0.246272      0.279026
     10.62037      5.58647     14.80251         0.107415     -0.697752     -0.574572
     10.41172      6.27038     17.01617         0.009626     -0.191203      0.551998
     10.66085     11.32984     15.71370         0.005166     -0.009399      0.011772
     10.72954     11.92317     17.00472         0.051985      0.129143     -0.064527
     10.79575     13.31888     17.11203         0.016013     -0.024091      0.104158
     10.66392     12.21712     14.60787         0.034499      0.217441     -0.061887
     10.77008     13.60761     14.71897         0.062461      0.085162      0.044773
     10.83527     14.15521     15.99637        -0.005180      0.005381      0.098570
     10.93291     15.57799     16.44873         0.101319     -0.256950      0.124923
     10.82749     14.19049     18.33596         0.072780      0.094208     -0.433613
     10.79407     16.72053     18.71494        -0.024227     -0.140566      0.109079
     10.05287     16.71414     19.89151         0.001189     -0.056621      0.083858
      9.88306     17.88605     20.63211         0.015601      0.038636     -0.189801
     11.39736     17.93834     18.38513        -0.014747      0.077760     -0.019819
     11.25984     19.11160     19.15386        -0.149156      0.122529      0.057619
     10.42980     19.15535     20.35207        -0.040032      0.051199      0.064095
     10.08837     20.34131      0.05180        -0.013534      0.065564      0.007572
      9.35540     20.29573      1.31405         0.177974      0.146831     -0.141688
      9.17243      0.18951      2.11499         0.178288     -0.032743     -0.128038
     10.49237      0.40794     21.00541         0.026645     -0.133016      0.082979
     10.34255      1.54291      0.56253        -0.072849     -0.138279     -0.142324
      9.69094      1.45647      1.79466        -0.036657      0.188073      0.198081
      8.70270     19.06944      1.94012         0.407491      0.088577      0.216754
     12.10997     20.24318     18.58255        -0.193457      0.027389      0.246441
      7.31882      7.66369     17.30550         0.075354      0.000971     -0.167014
      7.11386      8.58102     16.27889         0.075474      0.062604     -0.173512
      7.06310      9.96231     16.53339         0.031082     -0.020640      0.043489
      7.60885      8.08950     18.59209        -0.022056      0.120737     -0.047990
      7.63493      9.46576     18.83111        -0.001595      0.013364      0.034433
      7.31579     10.44686     17.85012         0.025369      0.041522      0.086261
      7.19044      6.28409     16.77444        -0.107061      0.065070     -0.061948
      7.03790      7.78583     14.99487        -0.168635     -0.068065     -0.095873
      7.27456     11.91699     18.25763         0.032501     -0.123877      0.000103
      7.10352     13.00296     17.35264         0.015096      0.078073      0.078720
      7.12659     14.32361     17.83085         0.007146     -0.044099     -0.142809
      7.43289     12.26839     19.62628        -0.058434      0.122438     -0.021749
      7.40784     13.58553     20.10484        -0.017903     -0.069581     -0.088199
      7.25261     14.62272     19.18919        -0.070126      0.027278     -0.238554
      7.19414     16.10668     19.35992        -0.162736      0.390865      0.565836
      7.08303     15.63222     17.08629        -0.054467      0.046620     -0.210749
      7.51756     18.07348     17.75084        -0.109226     -0.087705     -0.063511
      8.37015     18.41474     16.69507         0.019224      0.081257      0.107760
      8.77002     19.74396     16.51404         0.071216     -0.040981      0.060101
      7.03767     19.15108     18.50767         0.148193      0.105918      0.073096
      7.43379     20.49911     18.29811        -0.022955     -0.056910      0.045365
      8.38894     20.87245     17.27925         0.157714     -0.212126     -0.261682
      9.00280      0.99532     16.92262         0.043704      0.062946      0.269344
      9.80063      1.36685     15.76727        -0.042992      0.376231      0.062421
     10.24894      2.69483     15.59818         0.013108      0.085127      0.027154
      8.81271      2.09777     17.79481        -0.143716     -0.029304     -0.046711
      9.23212      3.42631     17.60900         0.178962     -0.331844      0.096741
      9.97882      3.75946     16.47747         0.008646      0.138199     -0.216212
     10.32281      0.52810     14.59717        -0.036364     -0.310437      0.134749
      6.72233      0.19421     19.24344        -0.163876     -0.146668      0.052494
      6.89354     10.81386      6.27378        -0.071062     -0.027116      0.255361
      6.87690     11.27108      7.58984        -0.008908     -0.014006      0.079512
      6.91592     12.63936      7.91195         0.037337     -0.001834     -0.079942
      6.96805     11.74007      5.23623        -0.048249      0.071284      0.052771
      7.01298     13.10867      5.55553        -0.005326     -0.132849     -0.030944
      6.98768     13.62422      6.88047        -0.004435      0.006190      0.063299
      6.88728      9.31254      6.27984        -0.053652      0.221131      0.374587
      6.87377     10.05917      8.48516         0.019949     -0.188112     -0.114242
      7.06786     15.13628      7.12141        -0.000082     -0.129511      0.039243
      7.15397     15.74585      8.41022         0.023960     -0.052393     -0.109864
      7.25753     17.14401      8.52341         0.067686     -0.005170      0.051916
      7.12010     16.02978      6.01571        -0.015650      0.157060     -0.016606
      7.22318     17.42239      6.13691        -0.121593     -0.080249     -0.025411
      7.25565     17.97682      7.40711         0.010513     -0.001080      0.162274
      7.38443     19.40764      7.83318         0.028575     -0.564183      0.263011
      7.50682     18.02115      9.72404        -0.059294      0.090857     -0.517115
      7.72681     20.54842     10.08622         0.117588     -0.225964     -0.161542
      7.23421     20.51636     11.38429         0.051047      0.285061      0.073311
      7.22945      0.41494     12.15913        -0.097174      0.001463      0.162860
      8.38357      0.47233      9.69724         0.033278      0.032073      0.098624
      8.51240      1.59267     10.55501        -0.125665      0.003748      0.139582
      7.80835      1.65602     11.83160        -0.102957     -0.149803      0.086758
      7.57150      2.83017     12.80781         0.123981      0.189616     -0.107017
      6.93893      2.80989     14.12399         0.183814      0.081770     -0.264229
      6.75336      4.00941     14.83712        -0.016819     -0.154903      0.027227
      7.94559      4.14501     12.41366         0.015956     -0.122385     -0.006583
      7.84370      5.31655     13.18501        -0.118519     -0.193410      0.066340
      7.22435      5.26390     14.43992         0.016138      0.240851      0.106709
      6.32476      1.63320     14.90306         0.109590      0.112256     -0.255718
      9.52909      2.61007     10.04623         0.000154     -0.107911     -0.149402
      4.29447     11.56120     10.36549        -0.032956      0.082486     -0.219033
      4.07768     12.42896      9.29931        -0.042048     -0.058737     -0.093029
      4.24925     13.81123      9.42918        -0.044376     -0.010227      0.133340
      4.74687     12.05400     11.58516        -0.055855      0.020963      0.066898
      4.80619     13.44218     11.75828        -0.053751     -0.079646     -0.038899
      4.53542     14.36007     10.70885        -0.005240      0.078152     -0.015681
      3.86697     10.18997      9.97597         0.044001     -0.023439     -0.019341
      3.58448     11.60631      8.14104         0.053988     -0.138865      0.142915
      4.50467     15.84699     10.97973        -0.003446     -0.163463      0.030476
      4.07166     16.78644     10.00243         0.037089      0.098350      0.032668
      4.06738     18.15349     10.30873         0.042828      0.025757      0.037083
      4.89035     16.34986     12.25173        -0.047029      0.045279     -0.109224
      4.79002     17.70266     12.58216        -0.032892     -0.065046     -0.049127
      4.37860     18.58993     11.59842        -0.088943     -0.184014     -0.175957
      4.25764     20.05624     11.66369        -0.046114      0.118845      0.415735
      3.87056     19.38688      9.46509        -0.123436      0.224276     -0.912296
      4.36973      0.62047      9.96422         0.048783     -0.142581     -0.042769
      4.92203      0.97761      8.73276         0.106971      0.200341      0.059333
      5.46847      2.25597      8.57937        -0.084634     -0.217435     -0.060259
      4.24660      1.67058     10.87496         0.101180     -0.064732     -0.042346
      4.72335      2.98946     10.66662         0.075257      0.058169     -0.112046
      5.47176      3.34825      9.48359         0.089448     -0.036209     -0.154324
      6.10193      4.70780      9.02156        -0.026176      0.115295      0.072985
      6.57605      5.04265      7.69224        -0.133607     -0.013282      0.177833
      6.82831      6.37061      7.27259        -0.074492      0.042481      0.173617
      6.13273      5.85303      9.85985        -0.009392     -0.155676     -0.067010
      6.34045      7.18145      9.44428        -0.073764     -0.041180      0.144818
      6.65147      7.49093      8.11170         0.026840      0.291689     -0.052902
      6.78605      4.03446      6.58138        -0.130946      0.273644     -0.339941
      4.10430      3.79399     11.79317         0.004283      0.168713      0.102547
      0.77962     14.07839      1.05845         0.188681      0.067613      0.128335
      1.50036     14.52261      2.16572        -0.012504     -0.133219     -0.024276
      1.53369     15.90605      2.47104        -0.012164      0.075728     -0.075893
      0.21685     14.95418      0.14848         0.005552      0.030535      0.026989
      0.35835     16.31976      0.38343        -0.023906     -0.263623      0.091269
      0.94246     16.85386      1.56283         0.091214      0.106653     -0.045666
      0.75240     12.60597      1.00314         0.110294      0.220566      0.306782
      2.14162     13.25540      2.76056        -0.342338     -0.100733     -0.440214
      0.91636     18.38544      1.70412        -0.020736      0.122939      0.017258
      1.34820     19.14015      2.83810        -0.054204      0.117751     -0.085629
      1.24940     20.55219      2.82704        -0.049082     -0.101062      0.096480
      0.40477     19.16272      0.61771        -0.096419      0.143794      0.036018
      0.24039     20.55436      0.64100         0.022807     -0.142629      0.130476
      0.65918     -0.01456      1.77175         0.080036     -0.069155      0.080601
      0.59418      1.44588      2.07866         0.241406     -0.489917      0.121764
      1.70428      0.33705      3.82077        -0.249994     -0.112505     -0.246907
      1.32762      2.89432      4.04945         0.072040     -0.158858     -0.027060
      2.01241      2.98690      5.26486        -0.034053      0.096805      0.036622
      2.14187      4.21111      5.91695         0.173902     -0.024209      0.072934
      0.71928      4.09482      3.61639         0.082620     -0.145250      0.007987
      0.79318      5.29876      4.34930         0.214359      0.037845      0.364863
      1.59418      5.45146      5.54411        -0.067541     -0.037683     -0.159348
      1.95342      6.70105      6.38202         0.129667      0.314718     -0.040965
      2.41832      6.70672      7.74620        -0.019509     -0.066281      0.000039
      2.84668      7.87203      8.40801         0.005716     -0.120155     -0.163351
      1.99871      8.02361      5.84048         0.044156     -0.254625     -0.027272
      2.46707      9.18832      6.48720         0.029210     -0.074844     -0.128083
      2.92005      9.14082      7.82118         0.058102     -0.024514      0.079102
      2.65107      5.49437      8.63176         0.231705      0.345489      0.065290
     -0.03632      6.40440      3.76277         0.211230     -0.122543     -0.188689
      4.54884     14.12715      0.62701        -0.147171     -0.009862     -0.162730
      3.97552     15.04197     -0.25461        -0.086666      0.206036     -0.069683
      4.03853     16.43324     -0.03775        -0.097248      0.154833      0.066121
      5.17782     14.59970      1.77331        -0.012423      0.160633      0.002235
      5.17360     15.98670      2.02266        -0.055934     -0.233811     -0.035287
      4.61317     16.97653      1.16092        -0.147914     -0.197616     -0.123559
      4.33095     12.73712      0.10975        -0.008625      0.106018     -0.171790
      3.31672     14.24195     19.90328         0.011036      0.013850     -0.195416
      4.63598     18.46421      1.58786        -0.060974      0.163248      0.049697
      4.15589     19.60484      0.85760         0.037605     -0.037758      0.028850
      4.29424     20.92026      1.38030        -0.014908     -0.001608     -0.122056
      5.17996     18.77969      2.86122         0.061440      0.180461      0.096893
      5.36008     20.07610      3.36481        -0.033395      0.038303     -0.072144
      4.93906     21.15596      2.59357        -0.062273      0.151342     -0.134263
      5.07691      1.38233      2.82352        -0.358841     -0.376375     -0.474258
      3.84761      1.02611      0.86212         0.103655      0.038536      0.128667
      4.05250      3.48941      1.73070        -0.009853     -0.104008     -0.061017
      3.19112      4.04255      0.76419         0.164054      0.078541     -0.096846
      2.97267      5.42718      0.69216        -0.153320     -0.193964     -0.094993
      4.59932      4.43972      2.62824         0.074950     -0.421956     -0.038966
      4.24098      5.80631      2.63136        -0.115056      0.021452     -0.013035
      3.39846      6.39735      1.62727         0.022461      0.150914      0.190640
      2.94091      7.87649      1.58890         0.339654     -0.252863     -0.078806
      1.69080      8.39742      1.11376         0.370695      0.279233     -0.215759
      1.35760      9.75561      1.28089        -0.017311     -0.116424     -0.098353
      3.77792      8.88001      2.13023         0.180100      0.128187      0.129346
      3.42072     10.22201      2.38003        -0.172414     -0.096453     -0.274447
      2.17953     10.70926      1.91254         0.002469      0.206962      0.238585
      0.69909      7.63322      0.24457        -0.290659      0.243704     -0.050785
      4.88792      6.49545      3.82281        -0.092907     -0.017469     -0.076674
     18.01559     17.32985     13.89171         0.075405     -0.053652      0.068517
     18.98076     17.79846     14.78053         0.097624     -0.065811      0.049353
     19.20432     19.16576     14.98053        -0.011439     -0.016299     -0.133686
     17.33059     18.22810     13.07819        -0.036713      0.082412      0.081672
     17.62599     19.59208     13.20202        -0.037128      0.015919      0.031198
     18.50884     20.11674     14.18435        -0.093196      0.158808      0.086140
     17.98890     15.83722     13.95360        -0.179554     -0.309219     -0.041926
     19.70408     16.60421     15.34188        -0.382195     -0.045902     -0.157149
     18.64438      0.36044     14.37523        -0.052032     -0.144450     -0.031129
     19.51651      0.94669     15.33301        -0.141764      0.065904     -0.087406
     19.53612      2.33805     15.49037        -0.071689     -0.001197      0.131238
     17.83566      1.25652     13.62469        -0.048365      0.033075      0.032504
     17.85446      2.64722     13.79428        -0.014403     -0.022006      0.064271
     18.71510      3.18541     14.74528         0.120010     -0.004153      0.174203
     18.93706      4.59839     15.19277        -0.029573      0.050202     -0.061012
     20.32101      3.18705     16.44690        -0.053044      0.089603     -0.055554
     20.53340      5.71916     16.83650        -0.105376     -0.114161      0.109757
      0.60633      5.71322     17.25326        -0.194168     -0.070385     -0.101402
      1.21283      6.87738     17.70724         0.151134      0.473507      0.090955
     19.84399      6.91796     17.07420        -0.266564     -0.155065      0.002622
     20.43974      8.06182     17.65790         0.097537      0.084983     -0.126772
      0.60423      8.13716     17.93734         0.001468     -0.360398     -0.045384
      1.46297      9.31244     18.48481         0.384095     -0.190404     -0.009175
      2.84301      9.29705     18.98704        -0.489512      0.257539     -0.100378
      3.44254     10.49424     19.45074         0.200508     -0.071049      0.180716
      0.91470     10.61255     18.51989        -0.219607      0.124574      0.085858
      1.49688     11.76995     19.06460        -0.012340     -0.004160     -0.152675
      2.80143     11.72791     19.56689        -0.171739      0.163895      0.044717
      3.93894      8.21858     18.99425        -0.303750      0.325814      0.088358
     19.40738      9.13587     17.96236         0.068358      0.239011      0.169317
      1.75734     18.32360     14.14067        -0.163929     -0.048249      0.075753
      1.06435     19.22653     13.33297         0.046380     -0.018574      0.021640
      1.11849     20.60521     13.55620         0.033237     -0.205995      0.123549
      2.51659     18.77537     15.21664         0.085499     -0.012639     -0.103174
      2.55407     20.14932     15.46239        -0.085616      0.025244     -0.066773
      1.86197     21.09548     14.66161         0.087623      0.168929      0.086262
      1.47668     16.93657     13.68341         0.025804     -0.118432     -0.118793
      0.31319     18.43410     12.30589         0.182707     -0.085751      0.405498
      2.00136      1.30557     14.95598         0.023141     -0.194754     -0.029211
      1.50204      2.29470     14.07885        -0.033850      0.128001      0.255821
      1.77622      3.63411     14.34755         0.079427      0.098126      0.018790
      2.67734      1.75432     16.11973         0.048483     -0.103397     -0.028853
      3.03968      3.08425     16.32968        -0.039134      0.136311     -0.217096
      2.62947      4.02103     15.38277        -0.107398      0.124072     -0.064471
      2.85975      5.49574     15.27790        -0.474428     -0.300356     -0.260484
      1.26782      4.86911     13.68824        -0.633724      0.018992     -0.531696
      1.45664      7.33418     14.21690        -0.266479     -0.221985     -0.104602
      0.12693      7.63364     13.89344        -0.004444      0.030255      0.141531
     20.92397      8.93654     14.05641        -0.063017     -0.119070      0.002659
      2.26320      8.42118     14.56714        -0.072696      0.080302      0.115671
      1.78919      9.74216     14.68675        -0.119939      0.175234      0.067481
      0.39090     10.07012     14.47138        -0.119672     -0.085495     -0.007834
     20.88037     11.39509     14.60888        -0.011258      0.083161      0.007319
     19.47923     11.66078     14.29360         0.095010     -0.033458     -0.002811
     18.92900     12.95419     14.40510         0.158203      0.020617     -0.062989
      0.27855     12.56030     15.07133        -0.026554      0.045829      0.075130
     -0.26159     13.85015     15.14594         0.092598      0.112671     -0.036537
     19.66721     14.09011     14.78059         0.069052      0.147010      0.143312
     18.39290     10.65649     13.87120         0.013877      0.250783      0.041809
      2.88857     10.71141     15.09284         0.083322     -0.156123      0.046586
     16.39022      0.42049      5.25112         0.074218      0.044567      0.158481
     16.94567      0.78526      6.47487        -0.006990      0.006885      0.084683
     16.84776      2.10389      6.96666        -0.024167     -0.114441     -0.096181
     15.75000      1.35388      4.46222        -0.008519      0.044253      0.045957
     15.69933      2.66985      4.92386         0.025916     -0.078416     -0.069384
     16.22633      3.10907      6.16651        -0.048638      0.004048      0.026034
     16.69810     20.26614      4.94264        -0.072583      0.034009     -0.036939
     17.68372     20.82992      6.98195        -0.092442      0.014520     -0.095041
     16.18188      4.60306      6.48541        -0.011877     -0.055457     -0.020500
     16.70944      5.24005      7.64775        -0.080789      0.105406     -0.120573
     16.72498      6.64811      7.71677        -0.047946      0.007668      0.079487
     15.63599      5.47490      5.50368         0.072995      0.124481     -0.083227
     15.70479      6.86813      5.55317         0.036549     -0.012465      0.093136
     16.26957      7.45410      6.67531        -0.000170      0.004026      0.194977
     16.52598      8.89240      6.98471        -0.015739     -0.368295      0.202520
     17.26117      7.57064      8.78068        -0.332560      0.028423     -0.527558
     17.65655     10.10123      8.92426        -0.153546     -0.136949      0.002144
     18.68363      9.99781      9.85785        -0.119994     -0.024260      0.096264
     19.26678     11.13443     10.41280         0.089044      0.171099      0.154476
     17.20360     11.40619      8.66518         0.092641     -0.027938     -0.011716
     17.82484     12.54744      9.21662         0.179773      0.115679      0.154443
     18.95376     12.47221     10.11974        -0.201598     -0.135899     -0.079730
     19.75683     13.60963     10.77586         0.082478     -0.000198      0.052473
     21.08622     13.54879     11.35193        -0.095080     -0.070676      0.003459
      0.43885     14.68633     11.91098        -0.096903      0.045630     -0.007540
     19.19078     14.90065     10.90764        -0.018306      0.017068      0.166481
     19.81497     16.03416     11.44782        -0.191025      0.088641     -0.001139
     21.10879     15.94701     11.96968         0.015528      0.103847     -0.008048
      0.85399     12.41276     11.34517        -0.076118      0.019197      0.143622
     17.12041     13.82200      8.81962         0.153956     -0.139712     -0.121469
     20.24080      1.50561      6.24464         0.064604      0.197763      0.087003
     19.63753      2.53031      5.51213         0.002563     -0.055180     -0.150432
     19.54288      3.82281      5.99187        -0.017065      0.038584     -0.026090
     20.74613      1.76825      7.51150        -0.012280     -0.080776      0.080605
     20.60967      3.05876      8.02969        -0.084272      0.198542     -0.074396
     20.03002      4.12259      7.28480        -0.022523      0.084463      0.042806
     20.24992      0.27057      5.41828         0.003506      0.098749      0.160128
     19.22045      1.97729      4.18478         0.251530     -0.071635      0.476499
     20.04905      5.54640      7.74303        -0.044585     -0.080650      0.088765
     19.60229      6.57165      6.88165         0.039023      0.068181      0.150239
     19.92988      7.89330      7.16277         0.006464     -0.018028      0.178078
     -0.68673      5.94162      8.99960        -0.079587      0.051175     -0.079148
     -0.39765      7.27332      9.29865         0.051747      0.206572     -0.106591
     20.62463      8.23776      8.31373        -0.025284     -0.079610     -0.037522
     -0.27432      9.67304      8.21603         0.380006      0.153188      0.294670
     19.67770      9.13246      6.38118        -0.230113      0.091278     -0.390847
     20.29997     11.59160      6.67196        -0.132202     -0.101222     -0.160211
     19.34270     12.02897      5.74229        -0.081143      0.113339     -0.049472
     19.16279     13.38884      5.49944        -0.083681      0.006580     -0.019766
     21.14076     12.58655      7.20988        -0.087438      0.136902     -0.036180
     20.97637     13.95481      6.91398        -0.105872      0.202739     -0.064969
     19.90891     14.43780      6.07922        -0.043681     -0.246831      0.055768
     19.44003     15.86370      5.88428        -0.129744      0.048996     -0.010050
     18.71436     16.38945      4.75633         0.133085     -0.024975      0.164003
     18.16111     17.67843      4.79071         0.004894      0.058796      0.047497
     19.55634     16.78284      6.95593         0.045789     -0.059465      0.041837
     19.01913     18.06899      6.99187        -0.006172     -0.072820     -0.014809
     18.25370     18.52942      5.91329        -0.005865      0.045135      0.063711
     18.39721     15.62379      3.47533         0.109179      0.251845     -0.006911
      0.76558     14.87417      7.51472        -0.103690     -0.105688     -0.027845
     12.71944      5.25469      3.99018         0.008942     -0.012118      0.048984
     13.38507      3.73080     20.51838         0.010642      0.057310      0.032072
     13.15246      6.11535     21.00704         0.041084      0.063071      0.083150
     12.95683      7.28393      4.39556        -0.041334     -0.046316     -0.002206
     13.25977      8.00644      0.11199        -0.008533     -0.056557      0.000867
     13.63936     10.39894      0.53114        -0.038793     -0.024076     -0.050335
     13.43555     13.25768      8.86056        -0.060648     -0.079823     -0.194771
     13.22169     11.39596      7.35311         0.113794      0.112540     -0.015155
     14.30095     13.99103      4.09954         0.115986     -0.125274     -0.008776
     12.75582     17.16293     11.45903        -0.120797     -0.023952     -0.031204
     15.40091     16.99421      7.35810         0.077070      0.031586      0.057224
     15.34783     19.03676      8.61309         0.052672     -0.006386      0.041976
      9.50273      6.83500      3.06917         0.013139      0.052135     -0.068061
     10.30350      3.56037      6.78411         0.081543      0.052713     -0.019987
     10.52509      5.96021      7.21156        -0.018210      0.045701     -0.065654
      9.99327      8.96054      3.55136         0.023551     -0.064308     -0.083814
     10.03036      7.72801      7.71719         0.027585     -0.050111     -0.006063
     10.17726     10.04919      8.43784         0.045254      0.027033      0.033095
     11.99464     15.98780      2.30078         0.035672     -0.077167      0.133101
     11.43207     13.74978      2.83722        -0.124406      0.171860     -0.017024
     10.18145     15.05672      6.72546        -0.132904     -0.090134      0.065966
     13.42178     20.27615      1.21002         0.106496      0.087757     -0.043403
     11.58831     19.26484      5.56831        -0.105365      0.121412     -0.086526
     11.99858      0.26024      5.05540         0.087191     -0.183457     -0.062853
     10.52725      9.15799     17.54465         0.041820     -0.042819      0.043360
     10.64243      7.67909     12.75031         0.046489      0.029436      0.121812
     10.53791     10.04441     13.29743         0.063749      0.121118     -0.052095
     10.74197     11.32791     17.91976        -0.030928     -0.042296     -0.034786
     10.59312     11.83284     13.59401         0.036171     -0.077133     -0.028629
     10.81993     14.24073     13.82768        -0.066577     -0.077140      0.066834
      9.24777     17.76039      0.22598        -0.067924     -0.076536     -0.103443
      9.57157     15.79879     20.24265         0.173661      0.159378      0.015387
     11.97603     17.99989     17.47169         0.086538     -0.037347     -0.012384
      8.65035      0.07121      3.05348        -0.094020      0.039334      0.133804
     10.96670      0.59674     20.05307         0.081876      0.012070      0.130430
     10.75873      2.49208      0.22284        -0.149652     -0.046679     -0.085273
      6.80731     10.64758     15.72530         0.068071      0.017850     -0.070901
      7.81728      7.37084     19.38457         0.010667      0.023420      0.038969
      7.90382      9.76106     19.84397        -0.037348      0.104495     -0.011439
      6.96224     12.83521     16.28620         0.053889     -0.035878     -0.113354
      7.56337     11.49716     20.38197        -0.025778     -0.052836     -0.028781
      7.52134     13.77085     -0.08517         0.012657      0.052792     -0.028157
      9.43650     19.89431     15.68331         0.204215     -0.140319      0.087991
      8.77026     17.65465     16.02321        -0.002940      0.085558      0.015411
      6.35850     18.96052     19.33236        -0.005195     -0.101592     -0.040383
     10.77776      2.90456     14.67605         0.100647      0.157718      0.150817
      8.24868      1.94530     18.70522         0.126783      0.083173     -0.159958
      8.93521      4.17045     18.34510         0.133874     -0.071192      0.009509
      6.87113     12.91897      8.96223         0.152272      0.080586      0.082854
      7.01552     11.41841      4.19217        -0.042711      0.021383      0.057414
      7.09935     13.78651      4.70701        -0.025178      0.061859      0.044865
      7.15413     15.13960      9.31702         0.078426     -0.012170      0.014076
      7.10765     15.65640      4.99466         0.008239     -0.190094     -0.021157
      7.35003     18.06731      5.26349        -0.149281     -0.140343     -0.024781
      6.72493      0.31151     13.10797        -0.016762     -0.048141     -0.256552
      6.83428     19.59292     11.78613        -0.067675      0.002431      0.120776
      8.83551      0.53421      8.70786         0.037437     -0.077712      0.093432
      6.22880      3.96029     15.77929        -0.007297     -0.021284      0.139471
      8.35342      4.28177     11.41500         0.049683      0.008903      0.193992
      8.27834      6.24336     12.81301        -0.178225     -0.001422     -0.134728
      4.12391     14.45728      8.56239        -0.085121     -0.036917     -0.018498
      4.98265     11.38189     12.41077        -0.089008     -0.000018     -0.008298
      4.99255     13.80507     12.77227         0.114724     -0.006636     -0.149332
      3.74438     16.45171      9.02023         0.025316      0.022531     -0.124692
      5.29103     15.68990     13.02023        -0.046778     -0.068121     -0.047938
      5.06015     18.06907     13.57217         0.054575     -0.067017      0.051473
      5.91161      2.37206      7.61696         0.052520     -0.157876      0.064254
      4.96662      0.28434      7.89329         0.102711     -0.001804      0.067873
      3.75932      1.45476     11.81674        -0.054368      0.028067      0.061585
      7.12182      6.52749      6.24215         0.026278      0.022810     -0.006196
      5.94585      5.71610     10.91654        -0.110062      0.083902      0.008239
      6.19582      7.98776     10.16394         0.153985     -0.180963      0.104697
      2.02160     16.25297      3.38638         0.022988     -0.037534     -0.057174
     -0.27764     14.56207     20.51615        -0.060713      0.146055      0.021875
     -0.00326     16.96437     20.85093        -0.163847      0.129469      0.041042
      1.73277     18.64574      3.73069         0.088667     -0.008721      0.025329
      0.08335     18.68822     20.95235         0.015972     -0.073994      0.057525
     -0.20548     -0.16595     21.06131         0.044337     -0.088253     -0.047306
      2.76766      4.18027      6.78450         0.102998     -0.196633     -0.057716
      2.44308      2.10325      5.72568         0.164546      0.011238     -0.042400
      0.14122      4.09264      2.69733        -0.074755     -0.020884      0.009337
      3.15305      7.77500      9.43753         0.067146      0.063853      0.090442
      1.72391      8.15341      4.79624        -0.025862      0.055989      0.021881
      2.50654     10.12016      5.92176        -0.059725     -0.060952      0.015817
      3.61417     17.07750     20.44954        -0.087284      0.130363      0.053436
      5.62433     13.89378      2.48549        -0.061458      0.238704     -0.063654
      5.62047     16.26849      2.96930         0.103534      0.177809      0.073224
      3.69164     19.47677     -0.12051        -0.050306      0.017736     -0.051934
      5.53835     17.98490      3.50583        -0.008537     -0.112494      0.067305
      5.83721     20.23570      4.33570        -0.051873     -0.039728     -0.042609
      2.43263      5.74474     -0.18682        -0.183137     -0.012603      0.093806
      2.69261      3.40134      0.03638         0.153031      0.105443     -0.017728
      5.31082      4.12524      3.39299        -0.209841     -0.180919     -0.128321
      0.42742     10.10442      0.84818        -0.022232     -0.091283      0.091405
      4.80867      8.59807      2.37303        -0.268260      0.178333      0.024056
      4.14098     10.85910      2.89229        -0.049060      0.071145     -0.137335
     19.93473     19.47721     15.72440         0.073109      0.027367      0.083708
     16.59685     17.88851     12.34427         0.030676     -0.024589     -0.013530
     17.14701     20.26113     12.48479        -0.035813      0.004064      0.135460
     20.15476      0.32857     15.96121         0.093172     -0.009061      0.064692
     17.12013      0.87398     12.89707         0.051661     -0.077443      0.006784
     17.18346      3.28824     13.21930         0.034335     -0.016676     -0.032845
      2.25793      6.76462     17.93909        -0.005537      0.045903     -0.151574
      1.17901      4.79202     17.22041         0.051249      0.019562      0.024958
     18.77743      6.95976     16.83816         0.251472      0.020667      0.034193
      4.47411     10.46019     19.79386        -0.128531     -0.098974     -0.039797
     -0.07240     10.74845     18.09122         0.137787      0.115133      0.131238
      0.91570     12.69446     19.07635         0.047355     -0.105404     -0.070174
      0.59042      0.01817     12.88169        -0.083221      0.024338     -0.021040
      3.09950     18.08243     15.82815        -0.121311     -0.005631      0.025770
      3.16941     20.49546     16.29348        -0.014963     -0.003488     -0.061072
      0.90925      2.03725     13.20685        -0.093897     -0.007856     -0.141516
      2.95918      1.04834     16.89855         0.031257     -0.076392     -0.032842
      3.58720      3.37473     17.22624         0.108936     -0.002141     -0.026831
     19.87907      9.04003     13.84464         0.058447     -0.143499      0.100753
     20.66549      6.87539     13.57714         0.200954      0.064862      0.070602
      3.29119      8.21300     14.82037         0.218578      0.067658     -0.038392
     17.89036     13.06946     14.13417        -0.119525      0.156500      0.025718
      1.29856     12.48814     15.42458        -0.052407      0.059279     -0.177722
      0.39066     14.68035     15.43031        -0.097568     -0.283901      0.113862
     17.30828      2.35350      7.92285         0.022317      0.000980      0.059627
     15.34578      1.05681      3.49247         0.063117      0.142361      0.063231
     15.25889      3.37533      4.23200        -0.060609      0.177288      0.007740
     17.14692      4.67676      8.47391        -0.047223     -0.076462     -0.011930
     15.15003      5.07019      4.62373         0.052043     -0.107841     -0.110041
     15.34047      7.48265      4.72979        -0.004780     -0.071583      0.002931
     20.02101     10.94167     11.15384        -0.042050     -0.006144     -0.106089
     19.02703      9.01220     10.15877        -0.014137      0.142327      0.193220
     16.35795     11.55851      8.00235         0.034880     -0.045085     -0.056801
      1.41645     14.56934     12.34906         0.157962      0.066860      0.000305
     18.16370     15.05174     10.60325         0.008232      0.004302      0.157404
     19.25292     16.97187     11.50147         0.140615     -0.180496     -0.159369
     19.12655      4.59730      5.34569        -0.027637     -0.146076      0.021432
      0.00894      0.99086      8.07072        -0.077463     -0.025637      0.086059
     -0.22654      3.25336      9.01321        -0.079437      0.017957      0.045756
     19.04656      6.34910      5.97939        -0.006546      0.017222     -0.095587
     -0.45614      5.19169      9.75195        -0.042643     -0.018354      0.080228
      0.00463      7.55034     10.27272         0.140596     -0.031857      0.015968
     18.34157     13.64610      4.84283        -0.045094     -0.138596      0.102499
     18.70875     11.30856      5.22642        -0.009284      0.113288      0.109247
      0.67888     12.30532      7.88294         0.081985     -0.067864      0.014435
     17.57520     18.00304      3.93823         0.036358      0.012958     -0.024772
     20.04645     16.45364      7.86540        -0.014045      0.060114     -0.066555
     19.18600     18.71020      7.85832        -0.053630     -0.184511     -0.013345
     13.94343     19.18168     10.69688         0.010992      0.161694      0.163454
     19.49361     21.24672      3.43630        -0.020525      0.125941      0.166032
     12.94924      1.23503      2.66841        -0.064783     -0.094205     -0.011178
     13.65261     11.42670      4.65461        -0.066109      0.218395     -0.112048
      9.61784      2.58139      2.72030         0.015055     -0.299497     -0.213623
     10.37991     12.82988      5.18141         0.167316     -0.063114      0.109048
     10.34915      5.12831     16.13850         0.040220      0.150173     -0.188678
     10.88667     15.55079     17.87940        -0.022346      0.078279     -0.135642
      7.10519      6.38868     15.35190         0.223632      0.065082     -0.206293
      7.20012     16.68342     18.05334         0.186649      0.077965      0.029026
      6.76576      8.88187      7.64501         0.019164     -0.080367      0.095020
      7.58326     19.38321      9.24481         0.034631      0.075060     -0.011256
      3.43835     10.24844      8.59730         0.063715     -0.054364     -0.033043
      4.05945     20.52314     10.33831         0.085847      0.118155     -0.095208
      1.75694     12.12337      1.90045        -0.188351     -0.277032     -0.029215
      1.22302      1.62697      3.35124        -0.075104      0.297865     -0.075066
      3.44350     12.84927     20.24055         0.165671     -0.041036      0.209190
      4.31709      2.04948      1.79698         0.045705     -0.211772      0.072866
     19.11914     15.43248     14.74553        -0.004775     -0.102319     -0.123737
     19.92231      4.54993     16.23062         0.056095      0.228508     -0.057544
      0.53364     17.04866     12.60094        -0.070097     -0.096366      0.085292
      1.92549      5.97944     14.28926        -0.040605      0.061087      0.138740
     17.58631     19.80299      5.95093         0.008403      0.050484      0.090399
     17.12379      8.92106      8.28187         0.015087      0.170064      0.104493
     19.60981      0.62968      4.22407        -0.122828     -0.168713     -0.274339
     20.36801     10.20287      7.03494         0.077734      0.053460      0.162726
     12.49266      2.38283      4.68838         0.083328     -0.049794      0.199968
     13.71039      0.95025      0.45169         0.007594      0.150916     -0.078039
     13.24437      9.63446      6.13009        -0.075511     -0.355887      0.654104
     14.03637     12.54115      2.59248        -0.052837      0.103102     -0.105969
      9.47242      4.40734      1.23302        -0.002062      0.002843     -0.084094
      9.60776      1.41996      4.77164         0.013643     -0.539356      0.313513
     10.18627     11.85147      3.04550         0.013174     -0.011269     -0.329449
     10.23357     12.98280      7.53857         0.014987     -0.273145     -0.305124
     10.33658      6.22466     18.23857         0.039317     -0.038662     -0.282641
     10.79439      4.86172     13.82102        -0.061899      0.621226      0.561599
     10.80949     13.84274     19.49770        -0.015692     -0.186836      0.559078
     11.04117     16.58061     15.76320        -0.070137      0.093260     -0.113254
      6.95707      8.19319     13.84925         0.009558      0.116914     -0.046852
      7.13539      5.25530     17.42696        -0.066512     -0.088625      0.040344
      6.96564     15.81447     15.88537         0.027400     -0.074948     -0.141773
      7.11477     16.73938     20.41081        -0.027446     -0.358869     -0.540061
      7.00034     10.03611      9.69605        -0.006556      0.071452      0.247215
      7.02361      8.57709      5.32410        -0.059379     -0.159285     -0.366937
      7.65178     17.68374     10.87882         0.098064     -0.246382      0.512762
      7.29860     20.40518      7.14638         0.042705      0.399378     -0.295726
      3.34305     11.97350      7.00974        -0.032442      0.153286     -0.459302
      3.86050      9.20539     10.69642        -0.005934     -0.071619      0.067614
      3.63728     19.47826      8.26078         0.197484     -0.172716      0.840574
      4.30441     20.74578     12.67511        -0.060959     -0.198819     -0.253627
      2.83672     13.13309      3.73905         0.469596      0.060471      0.476954
     -0.05293     11.96706      0.35144        -0.158345     -0.311746     -0.372046
      2.38177      0.16307      4.80939         0.269206     -0.097770      0.418377
      0.09984      2.31161      1.38655        -0.153379      0.395883     -0.234368
      2.80421     14.64462     18.87443        -0.208557      0.188672     -0.047728
      4.84459     11.70296      0.51315        -0.009691      0.134853     -0.000880
      3.18638      1.26633     -0.12933        -0.086439     -0.137604     -0.255357
      5.74533      1.92696      3.67449         0.271662      0.248969      0.447714
     -0.64067     16.60535     16.14155         0.383958      0.052110      0.343703
     17.16180     15.07843     13.46704         0.177388      0.265101     -0.009191
     -0.11540      2.81571     17.26359         0.123708     -0.094804      0.249871
     18.40629      5.61480     14.77115         0.028294     -0.094805      0.021478
     20.89675     18.85275     11.38998        -0.410044      0.216984     -0.490334
      1.94362     15.89160     14.11781        -0.066595      0.233599     -0.064207
      0.39098      4.94731     12.82680         0.397268     -0.069233      0.361766
      3.65936      6.18474     15.87674         0.355011      0.153767      0.230850
     18.26556     20.70692      8.04265         0.074140     -0.048250      0.235392
     16.26466     19.61807      4.00244         0.002853      0.022583     -0.192167
     17.72068      7.26274      9.85721         0.154011     -0.207719      0.614822
     16.31306      9.85682      6.27652        -0.182506      0.316807     -0.108350
     18.67705      2.53078      3.25126        -0.325102      0.264793     -0.437461
     20.69833     20.42258      5.67412         0.111596     -0.151102     -0.017257
     18.98537      9.23415      5.37863         0.133744     -0.047620      0.021126
      0.46099     10.29357      8.96956        -0.205558     -0.187630     -0.315383
     14.06179     17.29861      5.60219         0.123345     -0.043964     -0.039998
     16.04243     16.33378      5.71762         0.010940     -0.056150     -0.085925
     14.76495     16.02956      3.99131        -0.012321      0.011927     -0.151496
     11.72340     15.23380     11.47053        -0.007488      0.237272     -0.045208
     11.44246     14.37477      9.49450         0.024254     -0.062764      0.002961
     13.17652     13.80244     10.75145        -0.005773      0.035766     -0.073088
     11.94291     18.03911      7.08334         0.107431      0.120851      0.193106
      9.91261     18.55428      6.39925         0.003269      0.002352     -0.007197
     10.24681     16.87156      7.73739        -0.047585     -0.032413     -0.005378
     13.61928     18.53843      0.22351         0.181596     -0.078158     -0.001598
     14.23768     17.04007      1.68241         0.098714     -0.151468      0.009084
     12.24819     16.96946      0.76118        -0.058058      0.014842     -0.064823
     11.39103      0.12458     18.28977         0.094396     -0.059464     -0.130038
     13.09624     -0.65286     19.45030         0.006275      0.089315     -0.028309
     12.71512     19.92310     17.40719         0.213208     -0.039101      0.005715
      8.17726     19.31202      3.18232        -0.050899      0.063081     -0.034697
      7.67900     18.57095      1.18890        -0.119365      0.077160      0.039522
      9.58042     18.03381      2.16498        -0.062909      0.015150     -0.014450
      7.57067      0.87493     20.07395        -0.002057      0.024166      0.282187
      5.95218      1.11877     18.59563         0.134258     -0.008761      0.098182
      5.86663     20.81079     20.10509        -0.030167      0.018566     -0.153312
     10.70007      1.27729     13.52299         0.218217      0.066091     -0.038954
     11.43722     -0.19459     14.96859        -0.132076      0.014110     -0.010776
      9.43792     20.89428     14.06257        -0.066229     -0.092966     -0.109506
      8.97776      3.77226      9.54571        -0.031256      0.032368      0.031007
     10.41513      2.97941     11.01024        -0.060415      0.010874      0.073267
     10.28613      2.12540      9.00239        -0.078083      0.002426      0.220585
      6.07241      1.96792     16.19478        -0.192779      0.079228      0.108276
      5.13921      1.20281     14.38568         0.009166      0.135352      0.045092
      7.10510      0.51415     14.99209         0.076891     -0.014277     -0.130343
      4.39692      5.10601     11.97167         0.124285      0.000183     -0.119056
      2.73278      3.73386     11.64665        -0.061862      0.144523     -0.109363
      4.36073      3.21334     13.00836         0.017630      0.131949     -0.038853
      7.36135      4.58215      5.47517        -0.074865      0.059421     -0.059845
      7.60161      2.98990      6.92515         0.174275      0.046630      0.006519
      5.60271      3.50686      6.12690        -0.000659     -0.055877     -0.097827
     -0.57212      7.25357      4.66453        -0.081619      0.042150      0.085917
      0.74264      7.20919      2.97466        -0.145620     -0.059850      0.307647
     -1.07820      5.93618      3.01260         0.070718      0.158197      0.119069
      2.97269      5.84440      9.90946        -0.205858     -0.125939     -0.064669
      1.63751      4.59841      8.75184        -0.049807     -0.117280     -0.210866
      3.73675      4.78296      8.16844        -0.239389      0.162567      0.136537
      6.18402      6.83626      3.53124         0.043483     -0.100408     -0.138192
      4.28325      7.61064      4.30281        -0.149148      0.131839     -0.065815
      4.92213      5.66046      4.90019         0.096400     -0.029995      0.071996
     -0.28550      8.46111     21.04442        -0.029529     -0.166886      0.068143
      1.33334      7.15432     -0.87205        -0.047787      0.048820     -0.044779
      0.04758      6.56138      0.76379         0.181937     -0.125438     -0.035410
     19.47482      9.57756     19.25322        -0.049893     -0.017177     -0.107769
     19.53915     10.25109     17.16454        -0.032363      0.056877     -0.069937
     18.12027      8.72499     17.77343        -0.029258     -0.065530      0.081497
      4.81637      8.44699     20.01865         0.330934     -0.080154      0.129973
      3.63402      6.90763     19.13860        -0.144021     -0.293717      0.101934
      4.63913      8.31785     17.82916         0.090747     -0.018897     -0.253321
      3.11490     11.70093     14.17978        -0.007693     -0.016063      0.052986
      2.63393     11.33718     16.28435         0.187503     -0.030926      0.099357
      4.10393     10.09451     15.26591        -0.094439      0.129892     -0.047360
     17.21455     11.26616     13.55326        -0.153128     -0.050233      0.136147
     18.68786      9.92627     12.74663        -0.150871     -0.029846      0.007411
     18.10262      9.76006     14.86056        -0.061431     -0.035773     -0.009595
     16.26138     14.23350      9.81901         0.070433      0.086663     -0.176371
     17.94412     14.87172      8.53178         0.032780      0.055748     -0.032415
     16.38009     13.65925      7.69232        -0.027635      0.021232     -0.022208
      1.87869     12.65523     12.22015        -0.012589      0.032066     -0.208544
      0.45760     11.15339     11.69719         0.067747      0.065641      0.016175
      1.41833     12.32263     10.11256         0.042648      0.133061     -0.091885
      1.20086     15.82600      6.63643        -0.089663      0.040630     -0.050314
      0.33367     15.54214      8.64116         0.054681      0.022091      0.092884
      1.86928     14.20220      7.93078         0.088283     -0.039690     -0.152199
     18.03146     16.44820      2.45102         0.147196      0.076247     -0.030966
     19.46243     14.89818      3.02017         0.021056     -0.068392      0.010863
     17.33868     14.75098      3.60727         0.058451      0.052623     -0.053431
 -----------------------------------------------------------------------------------
    total drift:                               -0.014212     -0.015553      0.000797


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4578.0953207222 eV

  energy  without entropy=    -4578.2498637929  energy(sigma->0) =    -4578.14683508
 
 d Force = 0.5007711E+00[ 0.188E+00, 0.814E+00]  d Energy = 0.4986990E+00 0.207E-02
 d Force = 0.6908746E+03[ 0.690E+03, 0.692E+03]  d Ewald  = 0.6908712E+03 0.343E-02


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.498699  1 .order   -0.500771   -0.813969   -0.187573
  (g-gl).g = 0.270E+01      g.g   = 0.272E+01  gl.gl    = 0.273E+01
 g(Force)  = 0.272E+01   g(Stress)= 0.000E+00 ortho     =-0.899E-02
 gamma     =   0.98942
 trial     =   0.30043
 opt step  =   0.39278  (harmonic =   0.39039) maximal distance =0.06178607
 next E    = -4578.124093   (d E  =  -0.52747)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   83(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3160
 total energy-change (2. order) : 0.9377120E-01  (-0.6046980E+01)
 number of electron    2497.9999931 magnetization 
 augmentation part      162.7577613 magnetization 

  free energy =  -0.457800154118E+04  energy without entropy=  -0.457815591201E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   83(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3464
 total energy-change (2. order) :-0.1245348E+00  (-0.1497144E+00)
 number of electron    2497.9999931 magnetization 
 augmentation part      162.7638756 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8763
  0.8763

  free energy =  -0.457812607595E+04  energy without entropy=  -0.457828067140E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   83(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3712
 total energy-change (2. order) : 0.3211612E-02  (-0.2831681E-02)
 number of electron    2497.9999931 magnetization 
 augmentation part      162.7582704 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4362
  1.0636  1.8088

  free energy =  -0.457812286434E+04  energy without entropy=  -0.457827764581E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   83(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3568
 total energy-change (2. order) :-0.1192897E-02  (-0.2325720E-02)
 number of electron    2497.9999931 magnetization 
 augmentation part      162.7556771 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2944
  2.2088  0.8372  0.8372

  free energy =  -0.457812405724E+04  energy without entropy=  -0.457827858330E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   83(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3672
 total energy-change (2. order) :-0.1398057E-03  (-0.4668877E-03)
 number of electron    2497.9999931 magnetization 
 augmentation part      162.7561714 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3327
  2.4019  1.0188  1.0188  0.8913

  free energy =  -0.457812419704E+04  energy without entropy=  -0.457827903379E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   83(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) : 0.1621741E-03  (-0.2399045E-03)
 number of electron    2497.9999931 magnetization 
 augmentation part      162.7555395 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2453
  2.4068  1.0649  1.0649  0.8449  0.8449

  free energy =  -0.457812403487E+04  energy without entropy=  -0.457827862281E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   83(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3496
 total energy-change (2. order) :-0.4682486E-05  (-0.4387351E-04)
 number of electron    2497.9999931 magnetization 
 augmentation part      162.7557711 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2308
  2.3954  0.9825  0.9825  1.1869  1.1869  0.6504

  free energy =  -0.457812403955E+04  energy without entropy=  -0.457827888440E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   83(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3496
 total energy-change (2. order) : 0.1193260E-04  (-0.7044901E-05)
 number of electron    2497.9999931 magnetization 
 augmentation part      162.7562629 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2280
  2.4701  1.0632  1.0632  1.2795  1.2795  0.8391  0.6012

  free energy =  -0.457812402762E+04  energy without entropy=  -0.457827877404E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   83(   9)  ---------------------------------------



 eigenvalue-minimisations  :  2848
 total energy-change (2. order) :-0.3526366E-05  (-0.4104158E-05)
 number of electron    2497.9999931 magnetization 
 augmentation part      162.7562629 magnetization 

  free energy =  -0.457812403115E+04  energy without entropy=  -0.457827879801E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0254       2 -56.1001       3 -55.9894       4 -55.8288       5 -55.8292
       6 -56.2708       7 -58.1053       8 -58.2261       9 -56.2413      10 -55.9080
      11 -55.9896      12 -55.7969      13 -55.7733      14 -55.9357      15 -58.0688
      16 -58.1069      17 -56.3471      18 -55.0031      19 -54.8965      20 -55.0624
      21 -55.6344      22 -55.5779      23 -55.5889      24 -55.6164      25 -55.0221
      26 -54.7688      27 -54.9257      28 -54.9322      29 -60.3916      30 -60.3727
      31 -55.6806      32 -55.7936      33 -55.7024      34 -55.4340      35 -55.5227
      36 -56.0050      37 -57.8308      38 -57.9287      39 -56.1141      40 -55.8275
      41 -55.9518      42 -55.6951      43 -55.7476      44 -55.9294      45 -58.0716
      46 -58.1478      47 -56.4748      48 -55.1469      49 -54.9545      50 -55.2858
      51 -55.8836      52 -55.8304      53 -55.7531      54 -55.7286      55 -55.0436
      56 -54.8512      57 -54.9810      58 -56.3674      59 -60.3477      60 -60.6264
      61 -55.9637      62 -56.0339      63 -55.9067      64 -55.7879      65 -55.7341
      66 -56.1908      67 -58.0043      68 -58.1181      69 -56.1757      70 -55.8737
      71 -55.9570      72 -55.6840      73 -55.6777      74 -55.8960      75 -58.0325
      76 -58.0700      77 -56.2966      78 -55.0652      79 -54.8905      80 -55.1784
      81 -55.7712      82 -55.7793      83 -55.8713      84 -55.8887      85 -55.2823
      86 -55.0093      87 -55.1997      88 -56.3849      89 -60.6610      90 -60.3826
      91 -55.7584      92 -55.8752      93 -55.7820      94 -55.5462      95 -55.6143
      96 -56.1173      97 -57.9135      98 -57.9976      99 -56.2220     100 -55.9187
     101 -56.0561     102 -55.7274     103 -55.7921     104 -56.0098     105 -58.0974
     106 -58.1518     107 -56.4277     108 -55.1759     109 -54.9568     110 -55.3772
     111 -55.8808     112 -55.8266     113 -55.7346     114 -55.7002     115 -55.0269
     116 -54.8231     117 -54.9832     118 -56.2849     119 -60.4078     120 -60.5979
     121 -55.9563     122 -55.9782     123 -55.8582     124 -55.7767     125 -55.7806
     126 -56.1966     127 -58.0768     128 -58.1545     129 -56.1603     130 -55.7924
     131 -55.8845     132 -55.7064     133 -55.6331     134 -55.7962     135 -57.9131
     136 -58.0289     137 -56.3451     138 -55.0591     139 -54.9300     140 -55.3365
     141 -55.8716     142 -55.7918     143 -55.8642     144 -55.8428     145 -55.1817
     146 -55.0935     147 -55.2503     148 -56.3758     149 -60.4977     150 -60.5423
     151 -55.6501     152 -55.7357     153 -55.5909     154 -55.4388     155 -55.4761
     156 -55.9228     157 -57.8959     158 -57.9117     159 -56.0086     160 -55.7596
     161 -55.9365     162 -55.5599     163 -55.5711     164 -55.7941     165 -57.9308
     166 -58.0601     167 -56.3669     168 -55.0506     169 -54.8308     170 -55.1959
     171 -55.8350     172 -55.8687     173 -55.8621     174 -55.7859     175 -55.2718
     176 -55.0149     177 -55.1048     178 -56.4802     179 -60.4610     180 -60.5527
     181 -55.7954     182 -56.0363     183 -55.9090     184 -55.5920     185 -55.6246
     186 -56.1803     187 -57.9024     188 -58.1952     189 -56.2197     190 -55.8409
     191 -55.9908     192 -55.7168     193 -55.6936     194 -55.8825     195 -58.0128
     196 -58.1489     197 -56.5218     198 -55.0823     199 -54.9519     200 -55.3159
     201 -55.8414     202 -55.8506     203 -55.8991     204 -55.8529     205 -55.1056
     206 -55.2100     207 -55.1961     208 -56.4677     209 -60.6755     210 -60.4981
     211 -55.9893     212 -56.0269     213 -55.9214     214 -55.8314     215 -55.7815
     216 -56.2860     217 -58.1425     218 -58.1102     219 -56.1508     220 -55.8232
     221 -55.9364     222 -55.5770     223 -55.5234     224 -55.8061     225 -57.9577
     226 -58.1087     227 -56.4590     228 -55.0234     229 -54.9144     230 -55.2158
     231 -55.7342     232 -55.7347     233 -55.6880     234 -55.7041     235 -55.0011
     236 -55.0933     237 -55.2055     238 -56.4248     239 -60.3348     240 -60.4014
     241 -55.9899     242 -56.0294     243 -55.9158     244 -55.7774     245 -55.7776
     246 -56.2210     247 -58.0602     248 -58.1538     249 -56.2055     250 -55.8760
     251 -55.9793     252 -55.7547     253 -55.7516     254 -55.9300     255 -57.9998
     256 -58.0537     257 -56.3434     258 -55.0696     259 -54.8971     260 -55.2504
     261 -55.7845     262 -55.7730     263 -55.8339     264 -55.8629     265 -55.2332
     266 -54.9571     267 -55.1870     268 -56.3553     269 -60.6028     270 -60.3690
     271 -55.8665     272 -55.9260     273 -55.7900     274 -55.6696     275 -55.6215
     276 -56.0353     277 -58.0559     278 -58.0869     279 -55.9289     280 -55.6555
     281 -55.7772     282 -55.5045     283 -55.5274     284 -55.7907     285 -58.0453
     286 -57.9095     287 -56.3566     288 -55.0458     289 -54.8760     290 -55.2085
     291 -55.8264     292 -55.7857     293 -55.8429     294 -55.8360     295 -55.1973
     296 -54.9771     297 -55.0477     298 -56.4113     299 -60.5220     300 -60.5440
     301 -55.8685     302 -56.0200     303 -55.9290     304 -55.6514     305 -55.6811
     306 -56.1974     307 -58.0239     308 -58.2352     309 -56.2259     310 -55.9042
     311 -55.9776     312 -55.6941     313 -55.6827     314 -55.8615     315 -57.9533
     316 -58.1110     317 -56.3747     318 -55.0145     319 -54.8496     320 -55.2628
     321 -55.7679     322 -55.7326     323 -55.8516     324 -55.8608     325 -55.1819
     326 -55.0896     327 -55.2357     328 -56.3981     329 -60.5399     330 -60.4574
     331 -55.7014     332 -55.7345     333 -55.6237     334 -55.5483     335 -55.5352
     336 -55.9636     337 -57.9076     338 -57.9160     339 -55.8913     340 -55.6227
     341 -55.7487     342 -55.4703     343 -55.4880     344 -55.7425     345 -57.9046
     346 -57.9342     347 -56.4556     348 -55.0012     349 -54.9678     350 -55.2860
     351 -55.7801     352 -55.7307     353 -55.7243     354 -55.7314     355 -55.1714
     356 -54.9635     357 -55.0280     358 -56.4194     359 -60.4766     360 -60.5124
     361 -39.0758     362 -38.7939     363 -38.9192     364 -39.0332     365 -38.9474
     366 -38.7488     367 -38.0506     368 -38.0970     369 -38.0476     370 -38.1639
     371 -38.1677     372 -38.2062     373 -38.7264     374 -38.3461     375 -38.6851
     376 -38.8552     377 -38.8510     378 -38.7910     379 -38.1286     380 -38.1329
     381 -38.2856     382 -38.0251     383 -38.2352     384 -37.9318     385 -38.9342
     386 -38.7962     387 -38.9391     388 -38.9271     389 -38.8853     390 -38.5685
     391 -38.2487     392 -38.2505     393 -38.2224     394 -38.2764     395 -38.1485
     396 -38.3201     397 -38.7851     398 -38.5091     399 -38.7987     400 -38.9310
     401 -38.8469     402 -38.7947     403 -38.1922     404 -38.1953     405 -38.4442
     406 -38.0288     407 -38.0551     408 -37.9144     409 -38.8095     410 -38.7912
     411 -38.9688     412 -38.7644     413 -38.9578     414 -38.6595     415 -38.1751
     416 -38.3245     417 -38.2943     418 -38.2347     419 -38.2026     420 -38.3703
     421 -38.6585     422 -38.3682     423 -38.5925     424 -38.7691     425 -38.6105
     426 -38.5991     427 -38.2399     428 -38.0514     429 -38.3163     430 -38.2297
     431 -38.0921     432 -37.9861     433 -38.7747     434 -38.6319     435 -38.9037
     436 -38.7127     437 -38.9202     438 -38.6647     439 -38.3125     440 -38.1002
     441 -38.1926     442 -38.1177     443 -38.2198     444 -38.0860     445 -38.8667
     446 -38.8414     447 -38.9963     448 -38.7612     449 -38.8308     450 -38.4025
     451 -38.0459     452 -37.9565     453 -38.0869     454 -37.9219     455 -38.1022
     456 -38.2237     457 -38.9832     458 -38.7499     459 -38.8937     460 -38.9539
     461 -38.9126     462 -38.7358     463 -38.1511     464 -38.3348     465 -38.1861
     466 -38.2843     467 -38.0714     468 -38.2178     469 -38.9094     470 -38.6724
     471 -38.7468     472 -38.8327     473 -38.6263     474 -38.5645     475 -38.2826
     476 -38.0376     477 -38.2446     478 -38.1768     479 -38.1406     480 -37.9332
     481 -38.9082     482 -38.7234     483 -38.9358     484 -38.9009     485 -38.9633
     486 -38.7529     487 -38.0778     488 -38.1722     489 -38.2705     490 -38.2997
     491 -38.2339     492 -38.3293     493 -38.7834     494 -38.4966     495 -38.6378
     496 -38.7938     497 -38.5359     498 -38.4765     499 -38.1412     500 -37.9091
     501 -38.2580     502 -38.1286     503 -38.0672     504 -37.9847     505 -38.2917
     506 -41.0655     507 -71.6809     508 -71.5648     509 -71.3233     510 -71.5993
     511 -71.5059     512 -71.4718     513 -71.3906     514 -71.5477     515 -71.5357
     516 -71.3991     517 -71.4194     518 -71.5049     519 -71.4203     520 -71.5696
     521 -71.5166     522 -71.4387     523 -71.5456     524 -71.4713     525 -71.5142
     526 -71.4324     527 -71.6208     528 -71.4827     529 -71.1859     530 -71.5530
     531 -76.8933     532 -76.7498     533 -76.8229     534 -76.7647     535 -76.5504
     536 -76.5545     537 -76.8276     538 -76.7091     539 -76.7376     540 -76.6309
     541 -76.7719     542 -76.7200     543 -76.6402     544 -76.6366     545 -76.8053
     546 -76.6938     547 -76.8235     548 -76.7691     549 -76.7374     550 -76.6142
     551 -76.5869     552 -76.5761     553 -76.6182     554 -76.5999     555 -76.8536
     556 -76.6355     557 -76.8129     558 -76.7165     559 -76.7351     560 -76.8469
     561 -76.7504     562 -76.6628     563 -76.8419     564 -76.6916     565 -76.7219
     566 -76.6468     567 -76.8018     568 -76.7317     569 -76.4928     570 -76.8123
     571 -76.9106     572 -76.7147     573 -76.8385     574 -76.6396     575 -76.6005
     576 -76.5439     577 -76.5552     578 -76.4700     579 -82.2816     580 -82.3204
     581 -82.3216     582 -82.3363     583 -82.2903     584 -82.2623     585 -82.5346
     586 -82.5464     587 -82.5479     588 -82.1888     589 -82.1918     590 -82.2963
     591 -82.3036     592 -82.1952     593 -82.3630     594 -82.6208     595 -82.6282
     596 -82.4829     597 -82.5758     598 -82.4538     599 -82.5281     600 -82.3386
     601 -82.1615     602 -82.3475     603 -82.4503     604 -82.4224     605 -82.4053
     606 -82.4052     607 -82.2686     608 -82.4384     609 -82.6338     610 -82.2874
     611 -82.3679     612 -82.3961     613 -82.4100     614 -82.2469     615 -82.6353
     616 -82.4326     617 -82.4088     618 -82.5492     619 -82.8006     620 -82.5767
     621 -82.2149     622 -82.4237     623 -82.2508     624 -82.1412     625 -82.3599
     626 -82.1760     627 -82.1579     628 -82.2478     629 -82.3325     630 -82.3835
     631 -82.6740     632 -82.4033     633 -82.4668     634 -82.4783     635 -82.4571
     636 -82.3781     637 -82.4625     638 -82.3420     639 -82.3206     640 -82.4382
     641 -82.4184     642 -82.3325     643 -82.4876     644 -82.4295     645 -82.4337
     646 -82.3753     647 -82.5092     648 -82.3478     649 -82.4138     650 -82.3187
 
 
 
 E-fermi :  -1.4740     XC(G=0):  -6.5319     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.0290      2.00000
      2     -28.9316      2.00000
      3     -28.9203      2.00000
      4     -28.9010      2.00000
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     10     -28.7745      2.00000
     11     -28.7700      2.00000
     12     -28.7467      2.00000
     13     -28.7387      2.00000
     14     -28.7182      2.00000
     15     -28.6842      2.00000
     16     -28.6836      2.00000
     17     -28.6768      2.00000
     18     -28.6413      2.00000
     19     -28.6332      2.00000
     20     -28.6254      2.00000
     21     -28.6085      2.00000
     22     -28.5873      2.00000
     23     -28.5741      2.00000
     24     -28.5532      2.00000
     25     -26.7923      2.00000
     26     -26.6930      2.00000
     27     -26.6414      2.00000
     28     -26.6381      2.00000
     29     -26.6251      2.00000
     30     -26.6172      2.00000
     31     -26.5976      2.00000
     32     -26.5822      2.00000
     33     -26.5730      2.00000
     34     -26.5617      2.00000
     35     -26.5531      2.00000
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     39     -26.5191      2.00000
     40     -26.4831      2.00000
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     44     -26.4712      2.00000
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     46     -26.4656      2.00000
     47     -26.4393      2.00000
     48     -26.4166      2.00000
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     50     -26.4107      2.00000
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     68     -26.2547      2.00000
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   1115      -3.5676      2.00000
   1116      -3.5350      2.00000
   1117      -3.5281      2.00000
   1118      -3.4688      2.00000
   1119      -3.4016      2.00000
   1120      -3.3751      2.00000
   1121      -3.3468      2.00000
   1122      -3.3420      2.00000
   1123      -3.3032      2.00000
   1124      -3.2621      2.00000
   1125      -3.2335      2.00000
   1126      -3.2320      2.00000
   1127      -3.2196      2.00000
   1128      -3.2123      2.00000
   1129      -3.2071      2.00000
   1130      -3.1428      2.00000
   1131      -3.1301      2.00000
   1132      -3.1285      2.00000
   1133      -3.1247      2.00000
   1134      -3.1120      2.00000
   1135      -3.1019      2.00000
   1136      -3.0973      2.00000
   1137      -3.0689      2.00000
   1138      -3.0454      2.00000
   1139      -3.0410      2.00000
   1140      -3.0375      2.00000
   1141      -3.0301      2.00000
   1142      -3.0266      2.00000
   1143      -3.0212      2.00000
   1144      -3.0109      2.00000
   1145      -3.0031      2.00000
   1146      -2.9971      2.00000
   1147      -2.9953      2.00000
   1148      -2.9780      2.00000
   1149      -2.9699      2.00000
   1150      -2.9681      2.00000
   1151      -2.9625      2.00000
   1152      -2.9607      2.00000
   1153      -2.9545      2.00000
   1154      -2.9518      2.00000
   1155      -2.9467      2.00000
   1156      -2.9278      2.00000
   1157      -2.9254      2.00000
   1158      -2.9154      2.00000
   1159      -2.9075      2.00000
   1160      -2.9053      2.00000
   1161      -2.9005      2.00000
   1162      -2.8954      2.00000
   1163      -2.8831      2.00000
   1164      -2.8662      2.00000
   1165      -2.8631      2.00000
   1166      -2.8449      2.00000
   1167      -2.8277      2.00000
   1168      -2.8078      2.00000
   1169      -2.7805      2.00000
   1170      -2.7725      2.00000
   1171      -2.7654      2.00000
   1172      -2.7508      2.00000
   1173      -2.7170      2.00000
   1174      -2.7043      2.00000
   1175      -2.6896      2.00000
   1176      -2.6700      2.00000
   1177      -2.6504      2.00000
   1178      -2.6400      2.00000
   1179      -2.6312      2.00000
   1180      -2.6305      2.00000
   1181      -2.6214      2.00000
   1182      -2.6114      2.00000
   1183      -2.6040      2.00000
   1184      -2.5957      2.00000
   1185      -2.5870      2.00000
   1186      -2.5689      2.00000
   1187      -2.5603      2.00000
   1188      -2.5553      2.00000
   1189      -2.5379      2.00000
   1190      -2.5348      2.00000
   1191      -2.5316      2.00000
   1192      -2.5286      2.00000
   1193      -2.5179      2.00000
   1194      -2.5122      2.00000
   1195      -2.5081      2.00000
   1196      -2.4907      2.00000
   1197      -2.4892      2.00000
   1198      -2.4863      2.00000
   1199      -2.4746      2.00000
   1200      -2.4676      2.00000
   1201      -2.4578      2.00000
   1202      -2.4514      2.00000
   1203      -2.4419      2.00000
   1204      -2.4328      2.00000
   1205      -2.4280      2.00000
   1206      -2.4251      2.00000
   1207      -2.4218      2.00000
   1208      -2.4168      2.00000
   1209      -2.4097      2.00000
   1210      -2.4053      2.00000
   1211      -2.4012      2.00000
   1212      -2.3974      2.00000
   1213      -2.3915      2.00000
   1214      -2.3901      2.00000
   1215      -2.3850      2.00000
   1216      -2.3829      2.00000
   1217      -2.3771      2.00000
   1218      -2.3747      2.00000
   1219      -2.3735      2.00000
   1220      -2.3638      2.00000
   1221      -2.3555      2.00000
   1222      -2.3495      2.00000
   1223      -2.3438      2.00000
   1224      -2.3422      2.00000
   1225      -2.3310      2.00000
   1226      -2.3113      2.00000
   1227      -2.2939      2.00000
   1228      -2.2911      2.00000
   1229      -2.2809      2.00000
   1230      -2.2717      2.00000
   1231      -2.2683      2.00000
   1232      -2.2488      2.00000
   1233      -2.2458      2.00000
   1234      -2.2335      2.00000
   1235      -2.2241      2.00000
   1236      -2.2209      2.00000
   1237      -2.1944      2.00000
   1238      -1.7835      2.05099
   1239      -1.7372      2.06865
   1240      -1.7320      2.06972
   1241      -1.7158      2.07084
   1242      -1.7063      2.06958
   1243      -1.6842      2.05929
   1244      -1.6534      2.02190
   1245      -1.6400      1.99487
   1246      -1.6231      1.94977
   1247      -1.6185      1.93513
   1248      -1.6071      1.89482
   1249      -1.5884      1.81444
   1250       0.1667     -0.00000
   1251       0.1750     -0.00000
   1252       0.2029     -0.00000
   1253       0.2515     -0.00000
   1254       0.2660     -0.00000
   1255       0.2848     -0.00000
   1256       0.3118     -0.00000
   1257       0.3354     -0.00000
   1258       0.3451     -0.00000
   1259       0.3524     -0.00000
   1260       0.3982     -0.00000
   1261       0.4100     -0.00000
   1262       0.6405     -0.00000
   1263       0.6565     -0.00000
   1264       0.6699     -0.00000
   1265       0.7128     -0.00000
   1266       0.7603     -0.00000
   1267       0.7729     -0.00000
   1268       0.7810     -0.00000
   1269       0.8091     -0.00000
   1270       0.8263     -0.00000
   1271       0.8305     -0.00000
   1272       0.8516     -0.00000
   1273       0.8769     -0.00000
   1274       0.8965     -0.00000
   1275       0.9168     -0.00000
   1276       0.9249     -0.00000
   1277       0.9318     -0.00000
   1278       0.9693     -0.00000
   1279       1.0090     -0.00000
   1280       1.0141     -0.00000
   1281       1.0216     -0.00000
   1282       1.0692     -0.00000
   1283       1.1155     -0.00000
   1284       1.1349     -0.00000
   1285       1.2218     -0.00000
   1286       1.2594     -0.00000
   1287       1.2734     -0.00000
   1288       1.3249     -0.00000
   1289       1.3985     -0.00000
   1290       1.4098     -0.00000
   1291       1.4566     -0.00000
   1292       1.5132     -0.00000
   1293       1.5296     -0.00000
   1294       1.5746     -0.00000
   1295       1.6080     -0.00000
   1296       1.6176     -0.00000
   1297       1.6745     -0.00000
   1298       1.8288     -0.00000
   1299       1.8727     -0.00000
   1300       1.8798     -0.00000
   1301       1.9047     -0.00000
   1302       1.9176     -0.00000
   1303       1.9489     -0.00000
   1304       1.9922     -0.00000
   1305       2.0125     -0.00000
   1306       2.0280     -0.00000
   1307       2.0413     -0.00000
   1308       2.0633     -0.00000
   1309       2.1131     -0.00000
   1310       2.1275     -0.00000
   1311       2.1317     -0.00000
   1312       2.1539     -0.00000
   1313       2.1805     -0.00000
   1314       2.1942     -0.00000
   1315       2.2155     -0.00000
   1316       2.2188     -0.00000
   1317       2.2361     -0.00000
   1318       2.2445     -0.00000
   1319       2.2586     -0.00000
   1320       2.2775     -0.00000
   1321       2.3410     -0.00000
   1322       2.4331     -0.00000
   1323       2.4440     -0.00000
   1324       2.4554     -0.00000
   1325       2.4807     -0.00000
   1326       2.5071     -0.00000
   1327       2.5109     -0.00000
   1328       2.5369     -0.00000
   1329       2.5489     -0.00000
   1330       2.5521     -0.00000
   1331       2.5579     -0.00000
   1332       2.5741     -0.00000
   1333       2.5835     -0.00000
   1334       2.6067     -0.00000
   1335       2.6177     -0.00000
   1336       2.6427     -0.00000
   1337       2.6448     -0.00000
   1338       2.6588     -0.00000
   1339       2.6638     -0.00000
   1340       2.6738     -0.00000
   1341       2.6868     -0.00000
   1342       2.7016     -0.00000
   1343       2.7410     -0.00000
   1344       2.7738     -0.00000
   1345       2.8004     -0.00000
   1346       2.9644     -0.00000
   1347       2.9865     -0.00000
   1348       3.0251     -0.00000
   1349       3.0389     -0.00000
   1350       3.0431     -0.00000
   1351       3.0599     -0.00000
   1352       3.0714     -0.00000
   1353       3.0896     -0.00000
   1354       3.1101     -0.00000
   1355       3.1298     -0.00000
   1356       3.1547     -0.00000
   1357       3.1680     -0.00000
   1358       3.1736     -0.00000
   1359       3.1820     -0.00000
   1360       3.2273     -0.00000
   1361       3.2507     -0.00000
   1362       3.2995     -0.00000
   1363       3.4250     -0.00000
   1364       3.5251     -0.00000
   1365       3.5435     -0.00000
   1366       3.5970     -0.00000
   1367       3.6423     -0.00000
   1368       3.6947     -0.00000
   1369       3.7135     -0.00000
   1370       3.7624     -0.00000
   1371       3.7869     -0.00000
   1372       3.8186     -0.00000
   1373       3.8502      0.00000
   1374       3.8631      0.00000
   1375       3.8771      0.00000
   1376       3.8943      0.00000
   1377       3.9170      0.00000
   1378       3.9273      0.00000
   1379       3.9394      0.00000
   1380       3.9509      0.00000
   1381       3.9619      0.00000
   1382       3.9657      0.00000
   1383       3.9764      0.00000
   1384       3.9973      0.00000
   1385       4.0037      0.00000
   1386       4.0253      0.00000
   1387       4.0302      0.00000
   1388       4.0446      0.00000
   1389       4.0551      0.00000
   1390       4.0621      0.00000
   1391       4.0765      0.00000
   1392       4.0889      0.00000
   1393       4.1010      0.00000
   1394       4.1068      0.00000
   1395       4.1169      0.00000
   1396       4.1404      0.00000
   1397       4.1556      0.00000
   1398       4.1592      0.00000
   1399       4.1711      0.00000
   1400       4.1889      0.00000
   1401       4.1989      0.00000
   1402       4.2036      0.00000
   1403       4.2218      0.00000
   1404       4.2342      0.00000
   1405       4.2503      0.00000
   1406       4.2572      0.00000
   1407       4.2655      0.00000
   1408       4.2983      0.00000
   1409       4.3147      0.00000
   1410       4.3403      0.00000
   1411       4.3428      0.00000
   1412       4.3558      0.00000
   1413       4.3691      0.00000
   1414       4.3745      0.00000
   1415       4.3963      0.00000
   1416       4.4080      0.00000
   1417       4.4236      0.00000
   1418       4.4316      0.00000
   1419       4.4447      0.00000
   1420       4.4532      0.00000
   1421       4.4610      0.00000
   1422       4.4719      0.00000
   1423       4.4952      0.00000
   1424       4.5098      0.00000
   1425       4.5295      0.00000
   1426       4.5329      0.00000
   1427       4.5449      0.00000
   1428       4.5626      0.00000
   1429       4.5912      0.00000
   1430       4.6137      0.00000
   1431       4.6376      0.00000
   1432       4.6447      0.00000
   1433       4.6780      0.00000
   1434       4.7125      0.00000
   1435       4.7303      0.00000
   1436       4.7754      0.00000
   1437       4.7824      0.00000
   1438       4.7974      0.00000
   1439       4.8258      0.00000
   1440       4.8365      0.00000
   1441       4.8638      0.00000
   1442       4.8743      0.00000
   1443       4.9177      0.00000
   1444       4.9217      0.00000
   1445       4.9247      0.00000
   1446       4.9402      0.00000
   1447       4.9562      0.00000
   1448       4.9788      0.00000
   1449       5.0038      0.00000
   1450       5.0132      0.00000
   1451       5.0427      0.00000
   1452       5.0476      0.00000
   1453       5.0639      0.00000
   1454       5.0826      0.00000
   1455       5.0895      0.00000
   1456       5.1056      0.00000
   1457       5.1392      0.00000
   1458       5.1459      0.00000
   1459       5.1582      0.00000
   1460       5.1804      0.00000
   1461       5.1886      0.00000
   1462       5.2055      0.00000
   1463       5.2316      0.00000
   1464       5.2351      0.00000
   1465       5.2494      0.00000
   1466       5.2629      0.00000
   1467       5.2701      0.00000
   1468       5.2730      0.00000
   1469       5.2957      0.00000
   1470       5.3119      0.00000
   1471       5.3146      0.00000
   1472       5.3274      0.00000
   1473       5.3339      0.00000
   1474       5.3403      0.00000
   1475       5.3535      0.00000
   1476       5.3566      0.00000
   1477       5.3703      0.00000
   1478       5.3816      0.00000
   1479       5.3874      0.00000
   1480       5.4025      0.00000
   1481       5.4093      0.00000
   1482       5.4159      0.00000
   1483       5.4200      0.00000
   1484       5.4326      0.00000
   1485       5.4478      0.00000
   1486       5.4489      0.00000
   1487       5.4683      0.00000
   1488       5.4784      0.00000
   1489       5.4808      0.00000
   1490       5.4937      0.00000
   1491       5.5005      0.00000
   1492       5.5123      0.00000
   1493       5.5141      0.00000
   1494       5.5235      0.00000
   1495       5.5305      0.00000
   1496       5.5366      0.00000
   1497       5.5420      0.00000
   1498       5.5516      0.00000
   1499       5.5618      0.00000
   1500       5.5676      0.00000
   1501       5.5784      0.00000
   1502       5.5838      0.00000
   1503       5.6030      0.00000
   1504       5.6088      0.00000
   1505       5.6144      0.00000
   1506       5.6230      0.00000
   1507       5.6367      0.00000
   1508       5.6378      0.00000
   1509       5.6420      0.00000
   1510       5.6527      0.00000
   1511       5.6586      0.00000
   1512       5.6712      0.00000
   1513       5.6803      0.00000
   1514       5.6845      0.00000
   1515       5.7091      0.00000
   1516       5.7229      0.00000
   1517       5.7255      0.00000
   1518       5.7315      0.00000
   1519       5.7359      0.00000
   1520       5.7474      0.00000
   1521       5.7566      0.00000
   1522       5.7645      0.00000
   1523       5.7734      0.00000
   1524       5.7858      0.00000
   1525       5.7972      0.00000
   1526       5.8011      0.00000
   1527       5.8157      0.00000
   1528       5.8261      0.00000
   1529       5.8363      0.00000
   1530       5.8401      0.00000
   1531       5.8522      0.00000
   1532       5.8593      0.00000
   1533       5.8728      0.00000
   1534       5.8791      0.00000
   1535       5.8929      0.00000
   1536       5.9057      0.00000
   1537       5.9085      0.00000
   1538       5.9113      0.00000
   1539       5.9254      0.00000
   1540       5.9366      0.00000
   1541       5.9541      0.00000
   1542       5.9658      0.00000
   1543       5.9761      0.00000
   1544       5.9781      0.00000
   1545       5.9870      0.00000
   1546       5.9940      0.00000
   1547       5.9962      0.00000
   1548       6.0106      0.00000
   1549       6.0269      0.00000
   1550       6.0362      0.00000
   1551       6.0395      0.00000
   1552       6.0443      0.00000
   1553       6.0515      0.00000
   1554       6.0647      0.00000
   1555       6.0782      0.00000
   1556       6.0795      0.00000
   1557       6.0897      0.00000
   1558       6.1090      0.00000
   1559       6.1118      0.00000
   1560       6.1173      0.00000
   1561       6.1264      0.00000
   1562       6.1351      0.00000
   1563       6.1445      0.00000
   1564       6.1519      0.00000
   1565       6.1608      0.00000
   1566       6.1716      0.00000
   1567       6.1859      0.00000
   1568       6.1893      0.00000
   1569       6.2033      0.00000
   1570       6.2104      0.00000
   1571       6.2219      0.00000
   1572       6.2268      0.00000
   1573       6.2322      0.00000
   1574       6.2366      0.00000
   1575       6.2466      0.00000
   1576       6.2619      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.087  13.411  -0.001   0.001  -0.000   0.002  -0.004   0.001
 13.411  17.829  -0.001   0.002  -0.000   0.002  -0.006   0.001
 -0.001  -0.001  -4.232   0.003   0.001   8.278  -0.005  -0.001
  0.001   0.002   0.003  -4.232   0.001  -0.005   8.277  -0.001
 -0.000  -0.000   0.001   0.001  -4.225  -0.001  -0.001   8.268
  0.002   0.002   8.278  -0.005  -0.001 -18.320   0.007   0.001
 -0.004  -0.006  -0.005   8.277  -0.001   0.007 -18.317   0.000
  0.001   0.001  -0.001  -0.001   8.268   0.001   0.000 -18.310
 total augmentation occupancy for first ion, spin component:           1
  8.449  -3.805   0.177   0.132  -0.067   0.022   0.025  -0.011
 -3.805   1.786  -0.091  -0.092   0.042  -0.010  -0.015   0.006
  0.177  -0.091   1.778  -0.064  -0.035   0.168  -0.012  -0.006
  0.132  -0.092  -0.064   1.897  -0.097  -0.012   0.177  -0.013
 -0.067   0.042  -0.035  -0.097   1.228  -0.006  -0.013   0.081
  0.022  -0.010   0.168  -0.012  -0.006   0.018  -0.002  -0.001
  0.025  -0.015  -0.012   0.177  -0.013  -0.002   0.018  -0.002
 -0.011   0.006  -0.006  -0.013   0.081  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -48961.70590 83953.29706 19027.14335 -9333.82445  6093.91162 17801.47028
  Hartree  6816.23396110910.03300 56821.87501 -9781.85078  4086.40964 12009.85385
  E(xc)  -10737.01876-10589.08448-10631.13653     2.75779     8.26470    33.85649
  Local    8714.63685************************ 19115.56923-10204.87066-29190.23576
  n-local -5843.62525 -5984.36805 -6040.52063     5.86866    17.16916   -68.03299
  augment  1493.51703  1535.62833  1487.19697     4.37374    12.54360    -4.30316
  Kinetic 45485.61003 43267.78881 43670.36604   -36.47264   -68.40986  -586.40909
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -124.4933225   -385.4159243   -140.4189648    -23.5784551    -54.9817934     -3.8003772
  in kB      -20.7602580    -64.2711904    -23.4159864     -3.9318961     -9.1686542     -0.6337433
  external PRESSURE =     -36.1491449 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.220E+03 -.104E+03 0.238E+03   0.220E+03 0.105E+03 -.239E+03   -.325E+00 -.572E+00 0.158E+01   0.997E-03 -.445E-03 0.699E-03
   -.176E+03 -.130E+03 0.566E+02   0.176E+03 0.132E+03 -.564E+02   0.220E+00 -.123E+01 -.299E+00   0.679E-03 -.742E-03 0.224E-03
   -.143E+03 -.120E+03 0.511E+01   0.143E+03 0.121E+03 -.354E+01   0.339E+00 -.129E+01 -.169E+01   0.489E-03 -.406E-03 0.250E-03
   -.203E+03 -.912E+02 0.326E+03   0.203E+03 0.914E+02 -.329E+03   -.201E+00 0.109E-01 0.255E+01   0.142E-02 -.417E-03 0.414E-03
   -.154E+03 -.142E+03 0.291E+03   0.154E+03 0.143E+03 -.292E+03   0.110E+00 -.896E+00 0.103E+01   0.121E-02 -.219E-03 0.343E-03
   -.130E+03 -.108E+03 0.168E+03   0.129E+03 0.108E+03 -.168E+03   0.167E+00 -.185E+00 0.100E+00   0.634E-03 -.205E-03 0.336E-03
   -.219E+03 -.130E+03 0.167E+03   0.218E+03 0.134E+03 -.168E+03   0.504E+00 -.445E+01 0.978E+00   0.625E-03 -.243E-03 0.130E-02
   -.172E+03 -.101E+03 0.318E+02   0.172E+03 0.105E+03 -.340E+02   -.440E+00 -.406E+01 0.210E+01   0.436E-03 -.851E-03 -.315E-03
   -.911E+02 0.353E+01 0.196E+03   0.911E+02 -.354E+01 -.196E+03   0.828E-01 -.969E-01 0.154E+00   0.194E-03 0.221E-03 0.289E-03
   -.728E+02 0.884E+02 0.598E+02   0.725E+02 -.899E+02 -.587E+02   0.443E+00 0.169E+01 -.115E+01   -.930E-04 0.117E-03 0.415E-03
   -.749E+02 0.102E+03 0.128E+03   0.746E+02 -.103E+03 -.128E+03   0.293E+00 0.111E+01 0.180E-01   -.308E-03 0.130E-03 0.123E-03
   -.910E+02 -.586E+01 0.326E+03   0.911E+02 0.561E+01 -.327E+03   -.827E-01 0.330E+00 0.128E+01   0.698E-04 0.428E-03 0.351E-04
   -.977E+02 -.485E+02 0.354E+03   0.980E+02 0.493E+02 -.356E+03   -.167E+00 -.107E+01 0.228E+01   -.208E-03 0.821E-03 -.226E-03
   -.978E+02 0.156E+02 0.293E+03   0.979E+02 -.156E+02 -.294E+03   -.159E+00 -.110E-01 0.157E+01   -.360E-03 0.466E-03 -.120E-03
   -.873E+02 0.977E+02 0.257E+03   0.866E+02 -.102E+03 -.259E+03   0.820E+00 0.381E+01 0.243E+01   -.314E-03 0.550E-03 -.314E-03
   -.696E+02 0.111E+03 0.101E+03   0.695E+02 -.114E+03 -.105E+03   0.237E+00 0.297E+01 0.348E+01   -.305E-03 0.101E-03 0.183E-03
   -.572E+02 0.956E+02 0.442E+02   0.577E+02 -.911E+02 -.400E+02   -.571E+00 -.464E+01 -.438E+01   -.313E-03 -.521E-04 -.496E-03
   0.105E+02 0.198E+03 -.155E+03   -.110E+02 -.200E+03 0.157E+03   0.643E+00 0.195E+01 -.201E+01   -.229E-03 -.268E-03 -.311E-03
   0.374E+02 0.152E+03 -.199E+03   -.377E+02 -.152E+03 0.200E+03   0.320E+00 0.324E+00 -.173E+01   -.522E-04 0.493E-04 -.245E-03
   -.608E+02 0.961E+02 0.175E+03   0.619E+02 -.953E+02 -.179E+03   -.117E+01 -.878E+00 0.333E+01   -.369E-03 -.210E-03 -.156E-03
   0.835E+01 0.601E+02 0.336E+01   -.957E+01 -.615E+02 -.185E+01   0.112E+01 0.152E+01 -.111E+01   -.144E-03 -.127E-03 -.178E-03
   0.251E+02 0.109E+02 -.120E+03   -.252E+02 -.113E+02 0.121E+03   0.669E-01 0.826E-01 -.971E+00   -.538E-04 0.704E-04 -.171E-03
   -.800E+01 -.408E+02 -.167E+03   0.846E+01 0.409E+02 0.166E+03   -.392E+00 -.297E+00 0.460E+00   0.706E-04 -.297E-04 -.788E-04
   -.228E+02 -.804E+02 -.224E+03   0.238E+02 0.821E+02 0.223E+03   -.115E+01 -.187E+01 0.105E+01   -.150E-03 0.235E-03 0.221E-03
   -.179E+01 -.162E+03 -.325E+03   0.121E+01 0.162E+03 0.327E+03   0.612E+00 -.823E+00 -.176E+01   -.477E-03 0.501E-03 0.758E-03
   -.903E+02 -.161E+03 -.150E+03   0.916E+02 0.161E+03 0.148E+03   -.127E+01 -.120E+00 0.163E+01   0.375E-03 -.185E-03 0.145E-03
   -.854E+02 -.271E+03 -.181E+03   0.859E+02 0.272E+03 0.180E+03   -.469E+00 -.824E+00 0.323E+00   0.369E-03 0.810E-05 0.479E-03
   -.310E+02 -.262E+03 -.275E+03   0.309E+02 0.263E+03 0.275E+03   0.325E-02 -.128E+01 -.405E+00   -.838E-04 0.270E-03 0.801E-03
   -.428E+02 -.287E+02 -.212E+03   0.487E+02 0.367E+02 0.207E+03   -.598E+01 -.800E+01 0.476E+01   -.126E-03 0.263E-03 0.105E-03
   -.179E+01 0.481E+02 0.184E+02   -.292E+01 -.566E+02 -.133E+02   0.447E+01 0.852E+01 -.503E+01   0.323E-03 -.202E-03 0.548E-03
   -.171E+03 -.184E+02 -.508E+02   0.171E+03 0.185E+02 0.524E+02   -.199E+00 -.428E-01 -.159E+01   -.120E-03 -.372E-03 0.305E-03
   -.110E+03 -.138E+03 0.134E+03   0.110E+03 0.139E+03 -.134E+03   0.140E+00 -.140E+01 -.213E+00   -.816E-04 -.337E-03 0.723E-03
   -.117E+03 -.153E+03 0.191E+03   0.117E+03 0.155E+03 -.192E+03   0.445E+00 -.177E+01 0.117E+01   -.143E-03 0.123E-03 0.622E-03
   -.270E+03 0.164E+02 -.180E+03   0.270E+03 -.177E+02 0.182E+03   -.192E+00 0.135E+01 -.248E+01   0.346E-03 -.340E-03 -.514E-03
   -.269E+03 -.561E+02 -.186E+03   0.270E+03 0.563E+02 0.187E+03   -.224E+00 -.177E+00 -.112E+01   0.756E-03 0.987E-04 -.478E-03
   -.182E+03 -.707E+02 0.789E+01   0.182E+03 0.705E+02 -.785E+01   0.406E+00 0.133E+00 0.386E-01   0.208E-03 0.270E-03 0.371E-04
   -.891E+02 -.555E+02 -.214E+02   0.900E+02 0.603E+02 0.235E+02   -.869E+00 -.394E+01 -.249E+01   -.369E-03 -.664E-03 0.679E-03
   -.604E+02 -.133E+03 0.104E+03   0.604E+02 0.137E+03 -.101E+03   -.804E-01 -.310E+01 -.360E+01   0.137E-04 -.569E-03 0.126E-02
   -.158E+03 0.493E+02 0.132E+02   0.157E+03 -.496E+02 -.132E+02   0.920E-01 0.261E+00 0.802E-01   0.171E-03 0.357E-03 -.754E-04
   -.785E+02 0.504E+02 0.216E+03   0.783E+02 -.515E+02 -.218E+03   0.294E+00 0.122E+01 0.185E+01   -.984E-04 0.265E-03 0.172E-03
   -.522E+02 0.715E+02 0.132E+03   0.521E+02 -.728E+02 -.132E+03   0.233E+00 0.140E+01 0.258E+00   -.702E-04 0.166E-03 0.167E-03
   -.196E+03 0.971E+02 -.211E+03   0.196E+03 -.980E+02 0.212E+03   -.810E-01 0.963E+00 -.851E+00   0.649E-03 0.253E-03 -.565E-03
   -.166E+03 0.516E+02 -.284E+03   0.166E+03 -.518E+02 0.286E+03   -.193E+00 0.275E+00 -.234E+01   0.631E-03 0.216E-03 -.570E-03
   -.945E+02 0.564E+02 -.132E+03   0.948E+02 -.573E+02 0.133E+03   -.227E+00 0.782E+00 -.147E+01   0.958E-04 0.715E-04 -.494E-03
   -.485E+02 0.960E+02 -.674E+02   0.485E+02 -.100E+03 0.681E+02   -.145E+00 0.471E+01 -.472E+00   -.342E-04 -.830E-04 -.872E-03
   -.152E+02 0.783E+02 0.141E+03   0.148E+02 -.828E+02 -.139E+03   0.205E+00 0.443E+01 -.196E+01   0.545E-04 0.223E-03 0.809E-03
   0.279E+02 0.418E+02 0.108E+03   -.262E+02 -.362E+02 -.110E+03   -.172E+01 -.569E+01 0.184E+01   0.106E-03 -.219E-03 0.199E-03
   -.173E+02 0.128E+03 0.266E+03   0.183E+02 -.129E+03 -.268E+03   -.940E+00 0.108E+01 0.249E+01   0.140E-03 0.971E-04 0.977E-03
   -.333E+02 0.117E+03 0.222E+03   0.343E+02 -.117E+03 -.224E+03   -.966E+00 -.502E+00 0.201E+01   0.175E-03 0.623E-03 0.956E-03
   0.590E+02 0.635E+02 -.310E+02   -.604E+02 -.637E+02 0.339E+02   0.154E+01 0.291E+00 -.288E+01   0.290E-03 -.477E-03 -.105E-02
   0.136E+02 0.239E+02 0.390E+02   -.131E+02 -.250E+02 -.410E+02   -.456E+00 0.116E+01 0.186E+01   0.524E-03 -.183E-04 -.113E-02
   -.161E+02 0.695E+01 0.829E+02   0.165E+02 -.681E+01 -.837E+02   -.381E+00 -.322E+00 0.688E+00   0.293E-03 0.250E-03 -.292E-04
   -.705E+02 -.139E+01 0.318E+02   0.705E+02 0.139E+01 -.313E+02   0.136E+00 0.146E+00 -.555E+00   0.334E-04 0.395E-03 0.271E-03
   -.134E+03 -.119E+02 0.719E+02   0.132E+03 0.126E+02 -.703E+02   0.802E+00 -.918E+00 -.146E+01   -.305E-03 0.384E-03 0.166E-02
   -.219E+03 -.669E+02 0.138E+03   0.221E+03 0.670E+02 -.141E+03   -.170E+01 -.826E-01 0.318E+01   -.194E-03 0.672E-03 0.147E-02
   -.686E+02 -.104E+03 -.114E+03   0.679E+02 0.103E+03 0.115E+03   0.697E+00 0.443E+00 -.165E+01   -.167E-05 -.607E-03 -.137E-02
   -.970E+02 -.107E+03 -.163E+03   0.962E+02 0.109E+03 0.166E+03   0.813E+00 -.119E+01 -.291E+01   0.795E-04 -.301E-03 -.128E-02
   -.161E+03 -.422E+02 0.140E+02   0.160E+03 0.362E+02 -.118E+02   0.133E+01 0.612E+01 -.197E+01   0.181E-03 0.430E-04 -.836E-05
   -.165E+03 0.174E+02 0.121E+03   0.162E+03 -.113E+02 -.113E+03   0.373E+01 -.594E+01 -.801E+01   0.713E-03 -.440E-04 0.124E-02
   -.381E+02 -.626E+01 -.275E+02   0.393E+02 -.505E+00 0.187E+02   -.129E+01 0.646E+01 0.884E+01   0.192E-05 0.363E-03 -.111E-02
   -.335E+03 -.715E+02 0.825E+02   0.335E+03 0.721E+02 -.836E+02   -.342E+00 -.845E+00 0.138E+01   0.131E-02 -.381E-04 0.996E-04
   -.329E+03 -.992E+02 -.818E+02   0.329E+03 0.100E+03 0.822E+02   0.815E-01 -.133E+01 -.514E+00   0.106E-02 0.442E-03 0.513E-04
   -.297E+03 -.904E+02 -.134E+03   0.297E+03 0.916E+02 0.136E+03   -.115E-01 -.108E+01 -.177E+01   0.932E-03 0.269E-03 0.543E-03
   -.277E+03 -.578E+02 0.174E+03   0.277E+03 0.580E+02 -.177E+03   -.690E-01 -.139E-01 0.239E+01   0.157E-02 -.551E-04 0.216E-03
   -.228E+03 -.102E+03 0.132E+03   0.228E+03 0.103E+03 -.133E+03   0.164E+00 -.967E+00 0.818E+00   0.128E-02 0.615E-04 0.240E-03
   -.249E+03 -.702E+02 -.183E+01   0.249E+03 0.702E+02 0.209E+01   -.199E-01 -.225E+00 -.176E-02   0.877E-03 0.138E-03 0.432E-03
   -.351E+03 -.106E+03 0.179E+02   0.351E+03 0.110E+03 -.190E+02   -.282E-01 -.464E+01 0.566E+00   0.141E-02 0.120E-03 0.113E-03
   -.332E+03 -.950E+02 -.473E+02   0.333E+03 0.989E+02 0.455E+02   -.618E+00 -.415E+01 0.210E+01   0.837E-03 0.340E-03 -.225E-03
   -.211E+03 0.401E+02 0.163E+02   0.211E+03 -.402E+02 -.163E+02   -.963E-02 -.261E-01 -.559E-01   0.701E-03 0.221E-03 0.480E-03
   -.239E+03 0.116E+03 -.856E+02   0.239E+03 -.118E+03 0.868E+02   0.425E-01 0.166E+01 -.130E+01   0.826E-03 0.638E-04 0.717E-03
   -.231E+03 0.124E+03 -.577E+01   0.230E+03 -.125E+03 0.574E+01   0.113E+00 0.128E+01 0.133E+00   0.737E-03 -.479E-04 0.298E-03
   -.153E+03 0.388E+02 0.131E+03   0.153E+03 -.391E+02 -.132E+03   -.210E-01 0.528E+00 0.113E+01   0.530E-03 0.398E-03 0.135E-03
   -.148E+03 -.161E+02 0.142E+03   0.148E+03 0.171E+02 -.144E+03   -.281E-01 -.885E+00 0.256E+01   0.378E-03 0.782E-03 0.336E-05
   -.199E+03 0.309E+02 0.119E+03   0.199E+03 -.311E+02 -.121E+03   -.628E-01 0.182E+00 0.161E+01   0.584E-03 0.449E-03 -.769E-04
   -.215E+03 0.100E+03 0.115E+03   0.214E+03 -.104E+03 -.117E+03   0.494E+00 0.399E+01 0.221E+01   0.751E-03 0.506E-03 -.718E-03
   -.247E+03 0.143E+03 0.632E+02   0.247E+03 -.146E+03 -.672E+02   0.419E-01 0.333E+01 0.332E+01   0.800E-03 -.321E-03 0.378E-03
   -.235E+03 0.107E+03 0.846E+02   0.234E+03 -.102E+03 -.808E+02   0.575E+00 -.487E+01 -.370E+01   0.669E-03 -.475E-03 -.192E-03
   -.118E+03 0.196E+03 0.856E+01   0.117E+03 -.197E+03 -.714E+01   0.127E+01 0.116E+01 -.133E+01   0.333E-03 -.281E-03 0.751E-04
   -.702E+02 0.116E+03 0.364E+02   0.690E+02 -.116E+03 -.347E+02   0.122E+01 0.128E-01 -.187E+01   0.791E-04 0.753E-05 0.999E-04
   -.295E+03 0.989E+02 0.181E+03   0.296E+03 -.985E+02 -.183E+03   -.188E+01 -.332E+00 0.209E+01   0.896E-03 -.304E-03 -.409E-03
   -.194E+03 0.531E+02 0.104E+03   0.193E+03 -.543E+02 -.102E+03   0.112E+01 0.130E+01 -.951E+00   0.633E-03 -.360E-03 -.181E-04
   -.127E+03 -.488E+01 0.805E+02   0.127E+03 0.475E+01 -.801E+02   0.365E+00 0.147E+00 -.430E+00   0.151E-03 -.192E-03 0.312E-03
   -.115E+03 -.789E+01 0.106E+03   0.115E+03 0.813E+01 -.107E+03   -.544E+00 -.151E+00 0.795E+00   0.128E-03 -.206E-03 0.624E-03
   -.615E+02 -.429E+02 0.630E+02   0.628E+02 0.447E+02 -.644E+02   -.119E+01 -.162E+01 0.120E+01   -.516E-04 0.837E-04 0.679E-03
   0.122E+02 -.570E+02 -.277E+02   -.139E+02 0.566E+02 0.300E+02   0.191E+01 0.319E+00 -.235E+01   -.130E-03 0.307E-04 0.928E-03
   -.167E+03 -.127E+03 0.156E+03   0.168E+03 0.127E+03 -.158E+03   -.927E+00 -.272E+00 0.208E+01   0.235E-03 -.352E-03 0.709E-03
   -.137E+03 -.190E+03 0.178E+03   0.138E+03 0.191E+03 -.180E+03   -.112E+01 -.136E+01 0.127E+01   0.329E-03 -.749E-03 0.109E-02
   -.353E+02 -.820E+02 0.879E+02   0.357E+02 0.779E+02 -.917E+02   -.462E+00 0.432E+01 0.397E+01   0.499E-04 -.548E-03 0.112E-02
   -.448E+02 -.303E+02 0.461E+02   0.501E+02 0.392E+02 -.507E+02   -.482E+01 -.877E+01 0.483E+01   -.494E-03 0.117E-03 -.656E-03
   -.237E+03 0.389E+02 0.959E+02   0.231E+03 -.466E+02 -.916E+02   0.610E+01 0.776E+01 -.406E+01   0.177E-02 -.642E-03 0.499E-04
   -.185E+03 -.218E+02 -.115E+03   0.185E+03 0.221E+02 0.117E+03   -.272E-01 -.236E+00 -.161E+01   -.405E-03 0.226E-03 0.485E-03
   -.156E+03 -.139E+03 0.488E+02   0.156E+03 0.141E+03 -.487E+02   0.293E+00 -.136E+01 -.269E+00   -.333E-03 0.296E-04 0.501E-03
   -.152E+03 -.169E+03 0.102E+03   0.152E+03 0.171E+03 -.103E+03   0.406E+00 -.163E+01 0.122E+01   -.884E-04 0.956E-04 0.317E-03
   -.247E+03 0.283E+02 -.206E+03   0.247E+03 -.295E+02 0.208E+03   -.304E+00 0.132E+01 -.246E+01   0.152E-03 0.175E-03 -.158E-03
   -.260E+03 -.471E+02 -.171E+03   0.260E+03 0.473E+02 0.172E+03   -.170E+00 -.232E+00 -.104E+01   0.590E-03 0.126E-03 -.927E-04
   -.181E+03 -.904E+02 -.141E+02   0.181E+03 0.903E+02 0.141E+02   0.258E+00 0.140E+00 0.162E+00   0.268E-03 -.293E-04 0.170E-03
   -.122E+03 -.704E+02 -.955E+02   0.123E+03 0.747E+02 0.977E+02   -.662E+00 -.403E+01 -.227E+01   -.686E-03 -.492E-04 0.776E-03
   -.139E+03 -.130E+03 0.720E+00   0.139E+03 0.133E+03 0.286E+01   0.259E-01 -.318E+01 -.367E+01   -.271E-03 0.773E-04 0.866E-03
   -.137E+03 0.303E+02 0.339E+02   0.137E+03 -.306E+02 -.340E+02   0.614E-01 0.183E+00 0.106E+00   0.399E-03 -.287E-04 0.504E-04
   -.645E+02 0.251E+02 0.175E+03   0.643E+02 -.261E+02 -.176E+03   0.190E+00 0.106E+01 0.184E+01   0.980E-04 -.501E-04 -.808E-04
   -.255E+02 0.616E+02 0.135E+03   0.255E+02 -.630E+02 -.136E+03   0.340E-01 0.131E+01 0.416E+00   0.237E-03 -.160E-03 0.527E-04
   -.184E+03 0.105E+03 -.927E+02   0.184E+03 -.106E+03 0.936E+02   -.280E+00 0.114E+01 -.964E+00   0.807E-03 0.207E-05 0.112E-03
   -.148E+03 0.696E+02 -.121E+03   0.149E+03 -.700E+02 0.124E+03   -.258E+00 0.331E+00 -.241E+01   0.636E-03 -.213E-04 0.824E-04
   -.601E+02 0.634E+02 -.202E+02   0.604E+02 -.642E+02 0.213E+02   -.371E+00 0.803E+00 -.140E+01   0.399E-03 -.283E-04 0.169E-03
   0.106E+01 0.101E+03 0.569E+02   -.546E+00 -.105E+03 -.561E+02   -.682E+00 0.453E+01 -.223E+00   0.322E-03 -.176E-03 0.386E-03
   0.548E+01 0.794E+02 0.890E+02   -.551E+01 -.838E+02 -.874E+02   -.271E-01 0.446E+01 -.176E+01   0.468E-03 -.322E-03 0.239E-03
   0.338E+02 0.560E+02 0.105E+03   -.320E+02 -.505E+02 -.107E+03   -.196E+01 -.566E+01 0.143E+01   0.506E-03 -.154E-03 -.118E-03
   -.972E+02 0.132E+03 0.194E+03   0.987E+02 -.133E+03 -.196E+03   -.145E+01 0.105E+01 0.191E+01   0.820E-03 -.157E-03 -.557E-03
   -.148E+03 0.123E+03 0.134E+03   0.150E+03 -.122E+03 -.135E+03   -.126E+01 -.556E+00 0.152E+01   0.999E-03 -.323E-03 -.659E-03
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 -----------------------------------------------------------------------------------------------
   0.370E+02 0.619E+01 -.109E+02   -.109E-10 -.284E-12 -.739E-12   -.371E+02 -.618E+01 0.109E+02   0.688E-01 -.345E-01 0.624E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.21085      3.15549      1.33770        -0.108311      0.027742      0.199585
     12.96338      3.59897      2.63651        -0.017837      0.006931     -0.004587
     12.89528      4.96033      2.95550        -0.015680     -0.136737     -0.128920
     13.26371      4.06684      0.29106         0.079970      0.151620      0.060972
     13.14304      5.43158      0.59621         0.095197     -0.144803     -0.036545
     13.02562      5.92747      1.92222         0.069775      0.021256     -0.097221
     13.32225      1.67131      1.35430         0.089544      0.019922     -0.086109
     12.76120      2.38914      3.49834         0.190945      0.041353     -0.098052
     13.09997      7.40798      2.20332         0.009156     -0.106589     -0.073943
     13.09335      7.92283      3.52544         0.097644      0.154526     -0.051794
     13.30806      9.28701      3.73074         0.033653      0.000059      0.015832
     13.26710      8.34518      1.14725         0.041025      0.089800      0.128221
     13.47862      9.71427      1.36571         0.052424     -0.176081      0.007256
     13.51971     10.17087      2.67705        -0.068029     -0.071471      0.140921
     13.76744     11.53301      3.22458         0.026999     -0.370340      0.239759
     13.38539     10.06423      5.00990         0.163389      0.168656     -0.839345
     13.75175     12.52126      5.58356        -0.064006     -0.157198     -0.169398
     13.48339     12.36834      6.94787         0.070857      0.009093      0.174398
     13.56440     13.46574      7.80557        -0.038762      0.169487      0.252571
     14.10399     13.80858      5.15246        -0.046549     -0.005967      0.034636
     14.17460     14.90391      6.02337        -0.102672      0.055458      0.398073
     13.86908     14.79287      7.43022         0.005828     -0.316633     -0.246051
     13.91161     15.90946      8.45889         0.069122     -0.149633     -0.067209
     13.21097     15.98413      9.71179        -0.103443     -0.186967      0.115069
     13.27063     17.14480     10.50172         0.032182     -0.114879     -0.065325
     14.72972     17.02300      8.19626         0.039095     -0.014457      0.079690
     14.73934     18.19137      8.94766         0.108960     -0.025892      0.014493
     13.98116     18.27142     10.10308        -0.071521     -0.111458      0.017950
     12.39348     14.86431     10.33135        -0.122577      0.009311      0.106281
     14.73192     16.13405      5.34028        -0.239060     -0.024737      0.047364
      9.88116      3.84146      4.67919         0.018055      0.089327     -0.069459
      9.70677      4.76483      3.64722         0.029864     -0.190431     -0.005746
      9.71510      6.15043      3.88744         0.051993     -0.147383      0.090793
     10.17137      4.27722      5.96942         0.036479     -0.034696     -0.112601
     10.25997      5.65209      6.19700        -0.005851      0.024551     -0.036411
      9.99490      6.63176      5.19724         0.100597      0.011318      0.074512
      9.69827      2.45310      4.15064         0.008893      0.863168     -0.430447
      9.57271      3.97368      2.36809        -0.081942      0.156173     -0.141329
     10.04919      8.09988      5.56939         0.005491     -0.090253      0.016928
     10.05573      9.15268      4.61735         0.064446      0.128771      0.090051
     10.15648     10.47905      5.05502         0.095840      0.005972     -0.102811
     10.09749      8.48822      6.93713        -0.015807      0.054452     -0.128016
     10.17711      9.81824      7.36898        -0.073536      0.054472     -0.193307
     10.21683     10.82483      6.40504         0.025278     -0.137905     -0.202240
     10.29060     12.30756      6.51616        -0.114657      0.281478      0.276864
     10.24655     11.74304      4.25487        -0.147557     -0.040188      0.128614
     10.68651     14.19468      4.82458         0.009992     -0.076667     -0.060393
     11.23349     14.52563      3.57837         0.058671      0.018136      0.001138
     11.60304     15.84349      3.29564         0.064845     -0.029999     -0.063139
     10.53934     15.26183      5.72535         0.196368      0.106620     -0.000977
     10.95291     16.58220      5.44691         0.058083      0.060486     -0.129185
     11.53359     16.95335      4.17041         0.101730     -0.183214     -0.186470
     12.06461     18.31769      3.70227         0.088738      0.150105     -0.053457
     12.69545     18.70696      2.44477        -0.203907     -0.161717      0.188743
     12.99449     20.05167      2.17427        -0.071926      0.072715     -0.030240
     11.93770     19.42584      4.56736        -0.037704      0.001047      0.083102
     12.22445     20.76252      4.30077        -0.011962      0.152218     -0.056870
     12.73537     21.11890      3.04918        -0.086444      0.109903      0.134915
     13.19323     17.81195      1.29967        -0.105195      0.212268      0.031474
     10.76970     17.50653      6.64437        -0.079411     -0.302471      0.022062
     10.66044      7.07402     14.83917        -0.121632     -0.192358      0.234983
     10.58440      7.50029     16.16786         0.016553     -0.073950     -0.101461
     10.59568      8.85928     16.50150        -0.007222      0.140655     -0.165013
     10.65353      7.99529     13.80141        -0.000114      0.152807      0.065589
     10.60436      9.35611     14.13701         0.112118     -0.294237     -0.186693
     10.62424      9.84280     15.46387         0.004588     -0.220007      0.263326
     10.62209      5.58666     14.80552         0.098768     -0.717407     -0.510836
     10.41666      6.27050     17.02189         0.021889     -0.186201      0.312846
     10.66558     11.33032     15.71558        -0.005923     -0.084633      0.004657
     10.73351     11.92055     17.00710         0.060109      0.198546     -0.078396
     10.79902     13.31641     17.11424         0.011478     -0.000176      0.108080
     10.66667     12.21619     14.60931         0.032217      0.242508     -0.033078
     10.77109     13.60654     14.72160         0.069988      0.085258      0.039122
     10.83737     14.15364     15.99866        -0.011469     -0.019882      0.117205
     10.93334     15.57681     16.44979         0.090504     -0.410121      0.246164
     10.82973     14.18839     18.33897         0.086157      0.146744     -0.647051
     10.79549     16.71894     18.71537        -0.012683     -0.147961      0.109592
     10.05323     16.71343     19.89068        -0.017587     -0.057297      0.089612
      9.88138     17.88561     20.63026         0.017978      0.069168     -0.179289
     11.40097     17.93605     18.38628        -0.003563      0.058386     -0.052003
     11.26356     19.10918     19.15358        -0.186703      0.139356      0.110754
     10.42945     19.15509     20.35055        -0.016096      0.009656      0.034656
     10.08850     20.34072      0.04875        -0.019778      0.089608      0.001280
      9.35492     20.29505      1.30990         0.151277      0.189427     -0.108864
      9.17145      0.18957      2.11178         0.176600     -0.067602     -0.137499
     10.49152      0.40824     21.00234         0.044321     -0.142315      0.085599
     10.34341      1.54223      0.56149        -0.066102     -0.139512     -0.186856
      9.69106      1.45614      1.79241        -0.044630      0.190669      0.227584
      8.70067     19.06939      1.93526         0.430859      0.099745      0.278026
     12.11622     20.23964     18.58588        -0.198103      0.035728      0.251851
      7.31907      7.66366     17.30285         0.089749      0.033046     -0.164058
      7.11219      8.58178     16.27673         0.085955      0.034532     -0.183756
      7.06229      9.96281     16.53027         0.041053     -0.028248      0.082517
      7.61312      8.08992     18.58828        -0.031603      0.145553     -0.050674
      7.63884      9.46661     18.82727         0.003753      0.014717      0.023804
      7.31734     10.44733     17.84660         0.019275      0.051865      0.097315
      7.19527      6.28348     16.77177        -0.111579      0.229652     -0.138622
      7.03883      7.78665     14.99256        -0.179857     -0.087537     -0.092147
      7.27552     11.91832     18.25380         0.036074     -0.172042      0.025829
      7.10156     13.00225     17.34858         0.013686      0.135202      0.090161
      7.12405     14.32360     17.82608         0.014802     -0.046734     -0.115099
      7.43546     12.26980     19.62285        -0.059037      0.150615     -0.076725
      7.41029     13.58752     20.10013        -0.029250     -0.094395     -0.090438
      7.25206     14.62412     19.18471        -0.067789      0.001318     -0.274009
      7.19386     16.10744     19.35497        -0.170743      0.404569      0.581477
      7.07971     15.63187     17.08124        -0.051936      0.046497     -0.144056
      7.51857     18.07316     17.74664        -0.137412     -0.069230     -0.053723
      8.37220     18.41477     16.69237         0.022372      0.094174      0.115091
      8.77379     19.74385     16.51256         0.076192     -0.050643      0.070573
      7.03698     19.15143     18.50272         0.170782      0.100975      0.060339
      7.43434     20.49949     18.29446        -0.004399     -0.070868      0.021295
      8.39303     20.87243     17.27815         0.139401     -0.246109     -0.276154
      9.00684      0.99356     16.92233         0.062089      0.114339      0.278294
      9.80797      1.36689     15.76962        -0.048452      0.378867      0.050109
     10.25574      2.69531     15.60054        -0.004483      0.046130      0.074783
      8.81489      2.09645     17.79395        -0.124544     -0.023579     -0.056422
      9.23474      3.42524     17.60790         0.140321     -0.359172      0.160042
      9.98354      3.75906     16.47978         0.017754      0.177593     -0.229931
     10.33174      0.52794     14.59993        -0.096474     -0.248962      0.210146
      6.72287      0.19599     19.23690        -0.216243     -0.165644      0.073805
      6.89197     10.81252      6.27791        -0.069812      0.002536      0.271729
      6.87798     11.27099      7.59427        -0.006972     -0.015276      0.050437
      6.91744     12.63990      7.91542         0.038205     -0.045752     -0.097557
      6.96348     11.73840      5.24000        -0.048529      0.092139      0.052301
      7.00800     13.10767      5.55785        -0.006065     -0.155658      0.009904
      6.98585     13.62332      6.88329        -0.003077      0.031291      0.037118
      6.88607      9.31109      6.28295        -0.066927      0.338647      0.500378
      6.87572     10.05941      8.48972         0.015927     -0.177758     -0.163810
      7.06513     15.13592      7.12376         0.001598     -0.146654      0.031227
      7.15519     15.74424      8.41266         0.026452     -0.023085     -0.138317
      7.25840     17.14224      8.52582         0.071666      0.013046      0.048602
      7.11293     16.02948      6.01788        -0.005755      0.172781      0.029909
      7.21664     17.42245      6.13974        -0.124512     -0.106704     -0.028585
      7.25313     17.97636      7.40987         0.009322     -0.031148      0.164776
      7.38235     19.40762      7.83493         0.032333     -0.745296      0.364154
      7.51000     18.01897      9.72728        -0.097123      0.129452     -0.742092
      7.72944     20.54585     10.08880         0.136910     -0.222543     -0.210972
      7.23553     20.51504     11.38527         0.042671      0.278460      0.089665
      7.23024      0.41324     12.16022        -0.120843      0.016830      0.213631
      8.38785      0.46950      9.70110         0.032513      0.031115      0.089042
      8.51756      1.58964     10.55894        -0.169641     -0.003796      0.173617
      7.81048      1.65410     11.83493        -0.079832     -0.170673      0.043523
      7.57341      2.82809     12.80943         0.162269      0.272550     -0.189418
      6.94275      2.80981     14.12221         0.120672      0.088190     -0.165001
      6.75605      4.01163     14.83577        -0.046614     -0.267070      0.028633
      7.94587      4.14520     12.41150         0.024630     -0.194579     -0.015841
      7.84515      5.31576     13.18209        -0.153162     -0.198473      0.108625
      7.22541      5.26419     14.43816         0.055422      0.279259      0.080725
      6.32683      1.63186     14.90202         0.082597      0.202403     -0.220281
      9.53397      2.60607     10.05216         0.049747     -0.073258     -0.164955
      4.29434     11.56201     10.35918        -0.025581      0.121071     -0.223939
      4.07904     12.43091      9.29307        -0.049537     -0.085350     -0.102259
      4.25266     13.81276      9.42267        -0.037065     -0.025879      0.163234
      4.74905     12.05347     11.57816        -0.052823      0.058280      0.076668
      4.81063     13.44175     11.75238        -0.065679     -0.071271     -0.079224
      4.53876     14.36035     10.70306        -0.000178      0.080205      0.000950
      3.86691     10.19166      9.97049         0.041373      0.011314     -0.054958
      3.58592     11.60780      8.13355         0.100894     -0.182750      0.333884
      4.50660     15.84752     10.97510         0.005922     -0.196723      0.048429
      4.07233     16.78563      9.99842         0.022585      0.125260      0.016000
      4.06519     18.15279     10.30504         0.061238      0.019772      0.064007
      4.89146     16.34978     12.24798        -0.054678      0.064780     -0.139219
      4.78955     17.70252     12.57879        -0.042567     -0.085829     -0.080856
      4.37678     18.58919     11.59465        -0.078970     -0.191828     -0.133863
      4.25673     20.05568     11.66156        -0.052204      0.096700      0.416358
      3.86871     19.38599      9.46479        -0.189567      0.277309     -1.222757
      4.37089      0.61940      9.96263         0.039812     -0.141155     -0.017932
      4.92525      0.97555      8.73291         0.116413      0.250239      0.033982
      5.47100      2.25457      8.57891        -0.054306     -0.206776     -0.067990
      4.24784      1.66954     10.87420         0.104855     -0.082012     -0.063120
      4.72312      2.98865     10.66577         0.086211      0.057717     -0.127844
      5.47255      3.34730      9.48267         0.083913     -0.036860     -0.125454
      6.10343      4.70697      9.02429        -0.021141      0.154386      0.044447
      6.57691      5.04444      7.69385        -0.164246     -0.077049      0.227862
      6.82701      6.37203      7.27630        -0.064840      0.082888      0.154171
      6.13477      5.85227      9.86453        -0.018527     -0.239365     -0.067182
      6.34187      7.17975      9.44896        -0.069004      0.039217      0.179332
      6.65111      7.49220      8.11698         0.036195      0.253277     -0.090402
      6.78747      4.03607      6.58214        -0.109769      0.320584     -0.347927
      4.10121      3.79285     11.79117         0.002821      0.220224      0.068425
      0.77807     14.07683      1.06095         0.177770      0.101101      0.121451
      1.50030     14.52141      2.16820        -0.022922     -0.159866     -0.055657
      1.53477     15.90432      2.47244        -0.042795      0.078501     -0.088732
      0.21130     14.95213      0.15214         0.037927      0.054802      0.069728
      0.35335     16.31853      0.38771        -0.030183     -0.322432      0.070343
      0.94061     16.85125      1.56527         0.103087      0.132821     -0.036139
      0.75061     12.60526      1.00393         0.122586      0.156316      0.349773
      2.14160     13.25371      2.76365        -0.513002     -0.097820     -0.692823
      0.91579     18.38298      1.70686        -0.049901      0.107370     -0.055389
      1.34841     19.13714      2.83869        -0.037629      0.156501     -0.051013
      1.25019     20.54920      2.82863        -0.069311     -0.051538      0.051906
      0.40336     19.15995      0.61973        -0.089476      0.169611      0.069189
      0.23953     20.55221      0.64304         0.023442     -0.166945      0.106505
      0.65971     -0.01637      1.77258         0.097573     -0.106680      0.117573
      0.59510      1.44450      2.07701         0.318167     -0.621777      0.249128
      1.70604      0.33513      3.82178        -0.337770     -0.101974     -0.374331
      1.32773      2.89257      4.04934         0.069401     -0.134050     -0.032305
      2.01552      2.98655      5.26308        -0.038412      0.063348      0.038802
      2.14497      4.20989      5.91612         0.188016     -0.024642      0.088743
      0.71698      4.09398      3.61803         0.098458     -0.214863     -0.002152
      0.79115      5.29597      4.35234         0.180416      0.077855      0.328763
      1.59398      5.44891      5.54494        -0.069934     -0.012130     -0.166583
      1.95198      6.69985      6.37895         0.155839      0.372871     -0.006409
      2.41614      6.70806      7.74408        -0.020355     -0.087913     -0.012017
      2.84611      7.87323      8.40488         0.007980     -0.099512     -0.150929
      1.99965      8.02357      5.83583         0.031058     -0.333420      0.043548
      2.46669      9.18740      6.48335         0.046664     -0.017638     -0.148619
      2.91969      9.14254      7.81693         0.061742     -0.081285      0.118793
      2.64615      5.49564      8.63129         0.291064      0.367696      0.069779
     -0.03944      6.40300      3.76652         0.212434     -0.128569     -0.159614
      4.54598     14.12942      0.62515        -0.177494      0.003488     -0.203217
      3.97238     15.04492     -0.25676        -0.069998      0.225364     -0.036993
      4.03630     16.43634     -0.03916        -0.090936      0.125919      0.087932
      5.17375     14.60088      1.77150         0.006950      0.241320      0.037021
      5.17045     15.99019      2.02139        -0.068594     -0.316847     -0.067146
      4.61084     16.98037      1.15966        -0.142183     -0.250246     -0.127901
      4.32757     12.74010      0.10661        -0.014745      0.140463     -0.188193
      3.31173     14.24647     19.90131         0.079484     -0.033585     -0.084239
      4.63369     18.46646      1.58593        -0.058944      0.163235      0.050519
      4.15584     19.60578      0.85342         0.047469     -0.003873      0.069412
      4.29330     20.92112      1.37539        -0.001452      0.013944     -0.090760
      5.17468     18.78213      2.86000         0.062071      0.228908      0.098151
      5.35497     20.07935      3.36361        -0.042714     -0.014631     -0.089750
      4.93588     21.15714      2.59057        -0.062672      0.205209     -0.150421
      5.07597      1.38482      2.82168        -0.507461     -0.505678     -0.682466
      3.84737      1.02660      0.85651         0.113157      0.065733      0.152118
      4.05300      3.49007      1.72550        -0.029592     -0.141102     -0.086822
      3.19382      4.04152      0.75737         0.153744      0.139593     -0.097951
      2.97408      5.42651      0.68634        -0.175297     -0.217337     -0.113938
      4.59774      4.43986      2.62388         0.118418     -0.430551      0.002419
      4.23939      5.80596      2.62809        -0.135307      0.019865     -0.033620
      3.39516      6.39509      1.62342         0.074674      0.185678      0.233661
      2.93806      7.87452      1.58746         0.347115     -0.280304     -0.098798
      1.68697      8.39407      1.11575         0.398914      0.348913     -0.213304
      1.35430      9.75365      1.28688        -0.109884     -0.232096     -0.175093
      3.77747      8.87779      2.12395         0.190544      0.196973      0.178430
      3.41911     10.22115      2.37563        -0.090680     -0.180385     -0.285452
      2.17683     10.70630      1.91403        -0.004537      0.291487      0.250946
      0.69792      7.63031      0.24487        -0.392476      0.222073      0.028520
      4.88726      6.49566      3.81916        -0.113234     -0.079472     -0.074386
     18.01539     17.32785     13.89580         0.095899      0.022386      0.081689
     18.97896     17.79830     14.78605         0.106051     -0.086217      0.048551
     19.20218     19.16593     14.98705        -0.025102     -0.043523     -0.150399
     17.33096     18.22665     13.08234        -0.030183      0.105244      0.091955
     17.62449     19.59127     13.20708        -0.007303      0.005819      0.051550
     18.50755     20.11657     14.18985        -0.121737      0.150583      0.071234
     17.98993     15.83676     13.95643        -0.173229     -0.293128     -0.025590
     19.70385     16.60289     15.34675        -0.522221      0.004511     -0.263032
     18.64236      0.36026     14.37986        -0.041847     -0.145904     -0.019240
     19.51303      0.94566     15.33917        -0.154440      0.128140     -0.095857
     19.53385      2.33770     15.49567        -0.081611      0.015274      0.117744
     17.83590      1.25714     13.62757        -0.018939      0.012961      0.054780
     17.85608      2.64747     13.79626        -0.004567     -0.011640      0.076114
     18.71534      3.18656     14.74851         0.116609     -0.051730      0.169983
     18.93703      4.59987     15.19461         0.036440     -0.074865     -0.014299
     20.31940      3.18712     16.45152        -0.055556      0.089561     -0.060635
     20.53261      5.71944     16.83944        -0.153469     -0.054304      0.128631
      0.60547      5.71486     17.25543        -0.246869     -0.081620     -0.123628
      1.21180      6.87782     17.70649         0.207407      0.588340      0.133014
     19.84271      6.91913     17.07825        -0.238849     -0.186510     -0.007349
     20.43850      8.06347     17.66265         0.069550      0.038762     -0.164554
      0.60206      8.13864     17.93885         0.031179     -0.382985     -0.037404
      1.45781      9.31494     18.48699         0.514627     -0.290978     -0.009396
      2.84073      9.29835     18.99060        -0.606807      0.277041     -0.162026
      3.43694     10.49750     19.45104         0.344441     -0.158128      0.198068
      0.91220     10.61375     18.51850        -0.348004      0.134782      0.062737
      1.49385     11.76942     19.06389        -0.061278      0.177614     -0.154835
      2.79880     11.73066     19.56474        -0.232102      0.215968      0.056725
      3.93611      8.21978     18.99581        -0.277736      0.395667      0.134752
     19.40607      9.13691     17.96569         0.044889      0.269220      0.188705
      1.75221     18.32500     14.14141        -0.161706      0.000038      0.073854
      1.06141     19.22923     13.33310         0.002491     -0.047537     -0.018955
      1.11399     20.60813     13.55494         0.063219     -0.254667      0.139757
      2.51017     18.77643     15.21777         0.104806      0.021789     -0.074206
      2.54992     20.15039     15.46354        -0.133648      0.050950     -0.107654
      1.85829     21.09631     14.66039         0.096385      0.188017      0.114803
      1.47262     16.93926     13.68428         0.017684     -0.117589     -0.163996
      0.30833     18.43600     12.30447         0.396029     -0.159795      0.678799
      1.99703      1.30638     14.95410         0.041136     -0.168782     -0.011013
      1.49837      2.29470     14.07594        -0.031433      0.148906      0.273408
      1.77196      3.63493     14.34435         0.123232      0.082024      0.064041
      2.67266      1.75692     16.11879         0.011949     -0.153303     -0.081295
      3.03440      3.08565     16.32811        -0.062014      0.190251     -0.264519
      2.62408      4.02298     15.38030        -0.079087      0.072174     -0.021439
      2.85518      5.49893     15.27904        -0.753646     -0.609014     -0.470845
      1.26734      4.86896     13.68827        -1.033802      0.117415     -0.920004
      1.45351      7.33466     14.21699        -0.296882     -0.230808     -0.143132
      0.12394      7.63413     13.89415        -0.003012      0.048393      0.156694
     20.92144      8.93706     14.05746        -0.065850     -0.100757      0.003189
      2.26143      8.42098     14.56433        -0.032403      0.089090      0.133084
      1.78899      9.74271     14.68357        -0.134928      0.171616      0.070593
      0.38990     10.07124     14.47130        -0.117035     -0.133096     -0.023167
     20.88044     11.39492     14.60977        -0.044769      0.125506      0.001879
     19.47780     11.66147     14.29494         0.142103     -0.030439      0.014235
     18.92898     12.95556     14.40680         0.144824     -0.000861     -0.064527
      0.27896     12.56035     15.07223        -0.014058      0.033406      0.091066
     -0.26176     13.84991     15.14861         0.108971      0.127506     -0.045730
     19.66797     14.09105     14.78300         0.029926      0.116701      0.135533
     18.39145     10.65643     13.87523        -0.016757      0.286260      0.063007
      2.88862     10.71228     15.08929         0.077785     -0.181138      0.016372
     16.39443      0.42050      5.25186         0.084364      0.067679      0.196489
     16.94664      0.78443      6.47818        -0.026868      0.016236      0.057225
     16.84599      2.10282      6.97119        -0.017858     -0.145084     -0.107340
     15.75623      1.35430      4.46236        -0.018387      0.067839      0.037667
     15.70274      2.66993      4.92523         0.038847     -0.079966     -0.049150
     16.22629      3.10794      6.17048        -0.063978      0.018327      0.001777
     16.70292     20.26707      4.94200        -0.040749      0.093129      0.043600
     17.68527     20.82935      6.98499        -0.160480      0.032526     -0.219611
     16.18126      4.60224      6.48977        -0.021355     -0.072258     -0.033772
     16.70373      5.23830      7.65457        -0.088103      0.144012     -0.147453
     16.72148      6.64663      7.72230        -0.050897      0.018403      0.086988
     15.64024      5.47398      5.50496         0.089951      0.132217     -0.048623
     15.71020      6.86724      5.55465         0.033302     -0.026426      0.103627
     16.27049      7.45359      6.67900        -0.004670     -0.044506      0.196473
     16.52473      8.89151      6.98821         0.019514     -0.445746      0.273312
     17.25661      7.56892      8.78880        -0.457217      0.093776     -0.809139
     17.65394     10.09954      8.92832        -0.150037     -0.089509      0.004830
     18.68095      9.99835      9.86226        -0.130676     -0.101359      0.100273
     19.26460     11.13397     10.41679         0.125705      0.225870      0.179478
     17.20366     11.40598      8.66767         0.059421     -0.064211     -0.044565
     17.82509     12.54723      9.21685         0.219461      0.122020      0.200150
     18.95364     12.47242     10.12196        -0.229853     -0.164699     -0.098966
     19.75551     13.61001     10.77747         0.085750     -0.001924      0.035283
     21.08497     13.55073     11.35090        -0.019358     -0.071398      0.028877
      0.43799     14.68899     11.91049        -0.075111     -0.006563     -0.012468
     19.18944     14.90082     10.90890        -0.020945      0.020735      0.179868
     19.81394     16.03402     11.44910        -0.232837      0.119876     -0.005933
     21.10713     15.94863     11.97064         0.048595      0.099635     -0.008085
      0.85628     12.41541     11.34177        -0.114082      0.047711      0.166707
     17.12277     13.82218      8.81917         0.163355     -0.131709     -0.169378
     20.23890      1.50786      6.24627         0.062180      0.247481      0.092681
     19.63564      2.53394      5.51333         0.018160     -0.133234     -0.151437
     19.53882      3.82501      5.99329        -0.027393      0.071568     -0.015294
     20.74291      1.77022      7.51361        -0.011761     -0.051104      0.108493
     20.60618      3.06139      8.03252        -0.109382      0.202998     -0.131192
     20.02543      4.12523      7.28648        -0.003292      0.060457      0.062058
     20.25096      0.27350      5.42005        -0.021728      0.138460      0.146501
     19.22052      1.98085      4.18429         0.356326     -0.161496      0.674467
     20.04409      5.54903      7.74395        -0.037981     -0.075277      0.115852
     19.59604      6.57401      6.88341         0.022931      0.050549      0.106214
     19.92379      7.89595      7.16302         0.008183     -0.071667      0.198738
     -0.69059      5.94445      9.00100        -0.102862      0.058168     -0.133857
     -0.40292      7.27599      9.29888         0.061202      0.228180     -0.109087
     20.61899      8.24000      8.31274        -0.006936     -0.092280      0.012812
     -0.28133      9.67257      8.21147         0.836622      0.556263      0.760159
     19.67536      9.13340      6.38468        -0.544954      0.163230     -0.885199
     20.29773     11.59062      6.67001        -0.101688      0.021660     -0.158642
     19.34018     12.03004      5.74266        -0.124122      0.061923     -0.079296
     19.16097     13.38909      5.49747        -0.103407      0.034420     -0.024868
     21.14095     12.58633      7.20529        -0.071562      0.101806     -0.016971
     20.97769     13.95423      6.90873        -0.128349      0.198763     -0.075394
     19.90829     14.43721      6.07579        -0.003908     -0.238819      0.077639
     19.44174     15.86331      5.88355        -0.142826      0.084129     -0.007049
     18.71896     16.39185      4.75519         0.135594     -0.056248      0.161244
     18.16455     17.67999      4.79123        -0.007160      0.073239      0.037415
     19.55580     16.78099      6.95764         0.062846     -0.097088      0.046508
     19.01985     18.06743      6.99342        -0.015319     -0.046723      0.003339
     18.25551     18.53031      5.91485         0.010912      0.011282      0.046405
     18.40662     15.62756      3.47137         0.097603      0.265381     -0.010071
      0.76803     14.87385      7.50675        -0.113865     -0.092555     -0.033107
     12.71827      5.25587      3.98859         0.009383     -0.003223      0.069643
     13.38806      3.72886     20.51939         0.015426      0.053336      0.005172
     13.15811      6.11538     21.00635         0.042058      0.062358      0.078761
     12.95702      7.28172      4.39485        -0.043346     -0.061823      0.011588
     13.26109      8.00814      0.11229        -0.004615     -0.055802     -0.013405
     13.64084     10.40111      0.53604        -0.034289      0.006240     -0.088713
     13.43688     13.25314      8.86434        -0.055650     -0.073266     -0.240463
     13.22232     11.39160      7.35396         0.107822      0.110734      0.000898
     14.30089     13.98812      4.10132         0.103753     -0.134467      0.050650
     12.75023     17.16343     11.45657        -0.116436     -0.027055     -0.027109
     15.40722     16.98650      7.36339         0.081920      0.026914      0.044141
     15.35396     19.03139      8.61839         0.052435     -0.011670      0.032347
      9.49837      6.83456      3.06874         0.011886      0.057956     -0.079815
     10.31200      3.56176      6.78105         0.080542      0.045684     -0.023463
     10.53541      5.96185      7.20651        -0.022765      0.031439     -0.070507
      9.99423      8.96030      3.54754         0.021981     -0.066425     -0.078719
     10.03364      7.72899      7.71291         0.023855     -0.073167      0.026656
     10.18247     10.05068      8.43294         0.045615      0.034141      0.070269
     11.99457     15.99039      2.29935         0.023969     -0.083479      0.150047
     11.43067     13.75103      2.83603        -0.118534      0.176070     -0.022573
     10.17974     15.05651      6.72337        -0.133162     -0.089780      0.068361
     13.42290     20.27662      1.21015         0.109265      0.090272     -0.060707
     11.58630     19.26551      5.56788        -0.099166      0.131920     -0.104044
     11.99882      0.26157      5.05361         0.090591     -0.194388     -0.061845
     10.53074      9.15927     17.54643         0.045193     -0.025931      0.088190
     10.64569      7.67700     12.75421         0.047703      0.030107      0.125325
     10.54407     10.04368     13.30057         0.061381      0.125374     -0.062062
     10.74679     11.32631     17.92193        -0.031734     -0.061708     -0.022001
     10.59431     11.83237     13.59616         0.037091     -0.087657     -0.048916
     10.82013     14.24118     13.83205        -0.068356     -0.071662      0.044997
      9.24251     17.76172      0.22234        -0.051104     -0.082107     -0.120806
      9.57039     15.79823     20.23987         0.171739      0.158748      0.022633
     11.98220     17.99644     17.47379         0.078283     -0.038925      0.001501
      8.64803      0.06973      3.04964        -0.088945      0.045455      0.124605
     10.96619      0.59763     20.04978         0.073908      0.009656      0.139436
     10.75985      2.49124      0.22209        -0.147222     -0.041904     -0.085829
      6.80710     10.64843     15.72358         0.058461      0.032153     -0.097812
      7.82538      7.37223     19.37989         0.013346      0.010113      0.052322
      7.91229      9.76338     19.83858        -0.042048      0.097207     -0.011482
      6.95824     12.83587     16.28274         0.053033     -0.049295     -0.129905
      7.56866     11.49860     20.37680        -0.024930     -0.068115     -0.003404
      7.52415     13.77290     -0.09062         0.017703      0.059659     -0.004986
      9.44368     19.89276     15.68424         0.199150     -0.135413      0.085869
      8.77279     17.65460     16.02191         0.006266      0.073346     -0.001460
      6.35752     18.96070     19.32654        -0.020112     -0.100448     -0.029350
     10.78684      2.90306     14.68111         0.123011      0.174725      0.109021
      8.25203      1.94356     18.70470         0.118369      0.088169     -0.158172
      8.93496      4.16886     18.34349         0.139251     -0.072784      0.008763
      6.87579     12.91936      8.96517         0.149552      0.089391      0.103598
      7.00801     11.41641      4.19625        -0.040701      0.017181      0.046694
      7.09135     13.78567      4.70992        -0.023820      0.068747      0.027298
      7.15977     15.13813      9.31847         0.075980     -0.029310      0.037246
      7.09846     15.65529      4.99821         0.004845     -0.193722     -0.054160
      7.34069     18.06716      5.26621        -0.147764     -0.130782     -0.034230
      6.72166      0.31037     13.10821         0.002694     -0.049109     -0.287542
      6.83450     19.59231     11.78571        -0.081074     -0.016564      0.135927
      8.83949      0.53251      8.71176         0.044246     -0.082213      0.089516
      6.23015      3.96014     15.77737         0.000857     -0.013699      0.130801
      8.35277      4.28118     11.41147         0.038295      0.002194      0.218280
      8.27756      6.24248     12.81089        -0.158633      0.031236     -0.155424
      4.13205     14.45905      8.55610        -0.097172     -0.026016     -0.033643
      4.98561     11.38180     12.40306        -0.085797     -0.018995      0.006985
      5.00003     13.80562     12.76520         0.112258     -0.013899     -0.140459
      3.74557     16.45126      9.01593         0.025485      0.019686     -0.123283
      5.29403     15.68995     13.01467        -0.042077     -0.078907     -0.029605
      5.05962     18.06825     13.56832         0.059055     -0.054651      0.070727
      5.92074      2.37063      7.61864         0.031249     -0.169529      0.082394
      4.97220      0.28363      7.89365         0.100477     -0.028737      0.050237
      3.76192      1.45221     11.81594        -0.065120      0.030957      0.071975
      7.11848      6.52966      6.24523         0.028304      0.025870     -0.000684
      5.94985      5.71229     10.92216        -0.106075      0.097537     -0.021900
      6.19993      7.98687     10.16943         0.152257     -0.202278      0.094517
      2.02158     16.25258      3.38698         0.039472     -0.033784     -0.038873
     -0.28573     14.55956     20.52169        -0.061677      0.144845      0.016678
     -0.00991     16.96236     20.85569        -0.168567      0.139374      0.040760
      1.73523     18.64322      3.72980         0.092317     -0.019572      0.045766
      0.08107     18.68564     20.95518         0.012351     -0.081180      0.044758
     -0.20608     -0.16778     21.06303         0.046133     -0.094720     -0.041314
      2.77412      4.17954      6.78185         0.099502     -0.191574     -0.061720
      2.44736      2.10235      5.72240         0.166281      0.021691     -0.043951
      0.13890      4.09146      2.69883        -0.078329     -0.014497      0.014156
      3.15288      7.77639      9.43503         0.059450      0.066117      0.067255
      1.72431      8.15255      4.79343        -0.033942      0.065658     -0.035190
      2.50832     10.11985      5.91822        -0.067878     -0.074925      0.012666
      3.61156     17.08057     20.44991        -0.101059      0.150783      0.023622
      5.61974     13.89454      2.48414        -0.065407      0.248096     -0.069979
      5.61634     16.27047      2.96817         0.114545      0.185465      0.092553
      3.69339     19.47872     -0.12383        -0.070735      0.002564     -0.102091
      5.53046     17.98858      3.50540         0.005358     -0.148067      0.092109
      5.82951     20.24027      4.33507        -0.044231     -0.044023     -0.030273
      2.43579      5.74516     -0.19344        -0.184292     -0.016851      0.094792
      2.69797      3.40138      0.02778         0.145830      0.091120     -0.027308
      5.31001      4.12395      3.38846        -0.228099     -0.165358     -0.143498
      0.42089     10.09872      0.85662         0.000688     -0.079044      0.103234
      4.80989      8.59682      2.36545        -0.298937      0.184020      0.007419
      4.14324     10.86012      2.87958        -0.049336      0.068558     -0.123786
     19.93140     19.47677     15.73187         0.081242      0.032269      0.089601
     16.59888     17.88720     12.34798         0.009931     -0.032884     -0.034053
     17.14668     20.26111     12.49014        -0.044319      0.000777      0.128393
     20.14946      0.32999     15.96992         0.109382     -0.038324      0.077171
     17.12274      0.87358     12.89963         0.027250     -0.079272     -0.017153
     17.18725      3.28780     13.21916         0.021148     -0.002038     -0.042704
      2.25951      6.76783     17.93323        -0.043511      0.045303     -0.148466
      1.17477      4.79411     17.22265         0.105573     -0.040115      0.021234
     18.77668      6.96165     16.84160         0.238424      0.017003      0.034063
      4.46983     10.46134     19.79286        -0.156530     -0.079351     -0.044753
     -0.07747     10.74853     18.08944         0.216073      0.118830      0.159224
      0.91210     12.69745     19.07370         0.096527     -0.195627     -0.069815
      0.58659      0.02055     12.87976        -0.085235      0.028922     -0.021773
      3.09085     18.08486     15.83147        -0.108168     -0.031736      0.035251
      3.16152     20.49934     16.29626        -0.007500     -0.020196     -0.065964
      0.90456      2.03799     13.20495        -0.096192     -0.013962     -0.154389
      2.95149      1.05058     16.89731         0.044295     -0.086141     -0.010585
      3.57970      3.37670     17.22434         0.131294      0.008545      0.008164
     19.87572      9.04037     13.84703         0.077672     -0.141599      0.104733
     20.66334      6.87468     13.58042         0.187903      0.059406      0.060744
      3.29010      8.21133     14.81689         0.195967      0.080832     -0.047508
     17.88956     13.07072     14.13716        -0.104219      0.158544      0.028346
      1.29936     12.48795     15.42680        -0.077562      0.061368     -0.188827
      0.38926     14.68127     15.43193        -0.084158     -0.289238      0.121898
     17.30445      2.35120      7.92828         0.025745      0.007522      0.070127
     15.35633      1.05868      3.49036         0.058264      0.139493      0.063148
     15.26434      3.37677      4.23326        -0.060031      0.166577      0.007848
     17.13477      4.67530      8.48316        -0.031200     -0.092543      0.006844
     15.15725      5.06834      4.62452         0.045490     -0.105417     -0.128085
     15.34964      7.48123      4.73000        -0.012858     -0.058040     -0.013056
     20.01868     10.94251     11.15960        -0.061008     -0.009499     -0.126128
     19.02115      9.01170     10.16582        -0.008657      0.164452      0.189343
     16.35852     11.55810      8.00353         0.042013     -0.043707     -0.048266
      1.41723     14.57116     12.34660         0.128908      0.077232     -0.010720
     18.16163     15.05072     10.60724        -0.000692      0.009992      0.148614
     19.25212     16.97209     11.50442         0.135716     -0.190573     -0.165709
     19.11897      4.59867      5.34771        -0.015288     -0.151228      0.028341
      0.00449      0.99308      8.07497        -0.080020     -0.021463      0.072891
     -0.23032      3.25725      9.01554        -0.076447      0.013621      0.055946
     19.04103      6.35055      5.98015         0.001291      0.023966     -0.075190
     -0.45940      5.19456      9.75181        -0.035703     -0.034951      0.107603
     -0.00129      7.55427     10.27257         0.145984     -0.028739      0.021731
     18.33849     13.64804      4.84207        -0.034541     -0.150002      0.111171
     18.70286     11.30901      5.23085         0.000913      0.122766      0.106976
      0.67971     12.30547      7.87876         0.067732     -0.069849     -0.000046
     17.57900     18.00466      3.93827         0.042316      0.014850     -0.020728
     20.04344     16.44880      7.86860        -0.026146      0.073794     -0.092306
     19.18526     18.70841      7.86078        -0.051156     -0.195659     -0.019616
     13.94535     19.17771     10.69745         0.011994      0.178080      0.167948
     19.49731     21.25084      3.43830        -0.023268      0.104114      0.143007
     12.95138      1.23534      2.66793        -0.080045     -0.100640      0.010298
     13.65227     11.42323      4.65759        -0.064135      0.266124     -0.116912
      9.61846      2.58138      2.71858         0.016191     -0.330211     -0.227028
     10.37814     12.83070      5.17742         0.178965     -0.064161      0.141310
     10.35258      5.12939     16.14451         0.056142      0.102257     -0.303630
     10.88844     15.54808     17.88161        -0.020673      0.127235     -0.167928
      7.10791      6.38947     15.35023         0.218702      0.056397     -0.245378
      7.19932     16.68292     18.04789         0.194466      0.110995      0.062625
      6.76630      8.88273      7.64955         0.013189     -0.130435      0.104040
      7.58568     19.38002      9.24620         0.045537      0.164492      0.025247
      3.43880     10.24991      8.59242         0.046912     -0.060692     -0.071992
      4.05933     20.52195     10.33590         0.089625      0.135353     -0.072169
      1.75448     12.12133      1.90288        -0.201910     -0.262963     -0.058579
      1.22442      1.62466      3.35130        -0.095123      0.343324     -0.096351
      3.44023     12.85369     20.23680         0.172541     -0.086869      0.231482
      4.31639      2.05021      1.79077         0.091037     -0.208086      0.139833
     19.11811     15.43235     14.75000         0.024288     -0.129000     -0.127474
     19.92187      4.55012     16.23447         0.037601      0.244763     -0.070018
      0.53234     17.05103     12.60005        -0.103974     -0.115133      0.079759
      1.92051      5.97981     14.28745         0.005615      0.080559      0.167577
     17.58948     19.80392      5.95183         0.007423      0.030202      0.092172
     17.11964      8.91919      8.28758         0.025338      0.218491      0.102246
     19.61127      0.63309      4.22608        -0.128638     -0.166866     -0.292605
     20.36415     10.20460      7.03299         0.092753     -0.046384      0.225224
     12.49715      2.38216      4.68879         0.072922     -0.050657      0.220659
     13.71090      0.95214      0.45128         0.040237      0.066221     -0.156570
     13.24635      9.63169      6.13017        -0.109554     -0.453671      0.900737
     14.03724     12.53855      2.59657        -0.022035      0.238456     -0.193826
      9.47143      4.40609      1.23059         0.005081     -0.022434     -0.002319
      9.61473      1.42051      4.76807        -0.005003     -0.762972      0.442452
     10.18486     11.85336      3.04237         0.012737     -0.015785     -0.372260
     10.23506     12.98245      7.53526         0.015491     -0.234054     -0.260392
     10.34250      6.22333     18.24060         0.023994     -0.034330     -0.004596
     10.79265      4.86110     13.82414        -0.060435      0.627306      0.567900
     10.81270     13.84239     19.49830        -0.021715     -0.257270      0.772646
     11.03931     16.57783     15.76563        -0.056180      0.228684     -0.203535
      6.95793      8.19239     13.84638         0.011142      0.124767     -0.043238
      7.14461      5.25642     17.42290        -0.076769     -0.242308      0.137165
      6.95925     15.81560     15.88192         0.022955     -0.074463     -0.223094
      7.11420     16.74034     20.40629        -0.023445     -0.370896     -0.570683
      7.00310     10.03600      9.69994         0.000191      0.068499      0.293024
      7.02123      8.57751      5.32801        -0.048587     -0.255098     -0.470981
      7.65408     17.68276     10.87974         0.128739     -0.300444      0.707835
      7.29191     20.40274      7.14913         0.038634      0.545156     -0.374356
      3.34711     11.97316      7.00373        -0.067907      0.201301     -0.621484
      3.86123      9.20793     10.69085        -0.007560     -0.123413      0.106506
      3.63184     19.47943      8.25695         0.256377     -0.200681      1.104692
      4.30283     20.74428     12.67373        -0.058121     -0.199435     -0.264274
      2.83574     13.12942      3.73795         0.639258      0.046798      0.722863
     -0.05449     11.96485      0.35292        -0.145981     -0.284367     -0.372347
      2.38265      0.16268      4.80886         0.355555     -0.123243      0.543240
      0.10184      2.30815      1.38533        -0.212547      0.514574     -0.315278
      2.79845     14.64958     18.87533        -0.273210      0.238503     -0.172277
      4.84203     11.70649      0.50892        -0.002882      0.102674      0.007581
      3.18591      1.26859     -0.13422        -0.094647     -0.156252     -0.275766
      5.74222      1.92867      3.67081         0.377834      0.337389      0.587675
     -0.64221     16.60401     16.14441         0.515833      0.046913      0.457762
     17.16336     15.07930     13.46834         0.146861      0.224505     -0.029774
     -0.11632      2.81593     17.26760         0.125479     -0.094625      0.254762
     18.40799      5.61420     14.77114        -0.018430      0.014530     -0.009130
     20.89289     18.85324     11.39281        -0.591057      0.323690     -0.735000
      1.94010     15.89415     14.11657        -0.051576      0.204536     -0.033885
      0.38509      4.94890     12.82142         0.732677     -0.113337      0.689630
      3.64894      6.18383     15.87876         0.633466      0.407358      0.431850
     18.26618     20.70558      8.04398         0.137670     -0.063887      0.356723
     16.27081     19.62167      4.00106        -0.024722     -0.038719     -0.264277
     17.71331      7.26306      9.86292         0.261076     -0.281408      0.868129
     16.31379      9.85457      6.27961        -0.199847      0.388880     -0.150765
     18.67980      2.53325      3.25221        -0.417423      0.351833     -0.604703
     20.70034     20.42629      5.67563         0.123329     -0.179918     -0.011199
     18.98047      9.23498      5.37572         0.375855     -0.088301      0.383697
      0.46147     10.29775      8.97022        -0.611739     -0.538401     -0.729805
     14.06308     17.29626      5.60638         0.140690     -0.054380     -0.037753
     16.04411     16.32981      5.71628         0.017827     -0.049871     -0.080566
     14.76126     16.02656      3.99352        -0.002381      0.016445     -0.138213
     11.71984     15.23297     11.46937        -0.001224      0.244775     -0.053503
     11.44244     14.37117      9.49417         0.037086     -0.055877      0.005724
     13.17462     13.80180     10.75516         0.003822      0.037266     -0.081655
     11.94165     18.04124      7.08294         0.135280      0.143519      0.196950
      9.91004     18.55287      6.39846         0.007433      0.018809     -0.012011
     10.24837     16.87232      7.73658        -0.063409     -0.050776      0.024738
     13.62867     18.53810      0.22678         0.168358     -0.084746     -0.005464
     14.23807     17.03763      1.68548         0.090076     -0.163483      0.019359
     12.25045     16.97282      0.75922        -0.068220      0.000837     -0.073173
     11.39777      0.12041     18.28703         0.108058     -0.067883     -0.115370
     13.09783     -0.65608     19.45890        -0.002739      0.100412     -0.033490
     12.72799     19.91821     17.41514         0.222937     -0.043166     -0.018074
      8.17196     19.31335      3.17761        -0.038034      0.053518     -0.073365
      7.67969     18.56786      1.18426        -0.134906      0.073107      0.034557
      9.58141     18.03692      2.16466        -0.079172      0.010815     -0.022128
      7.56948      0.87368     20.06972         0.022232      0.043873      0.300628
      5.95524      1.12177     18.58804         0.141569     -0.009006      0.097483
      5.86269     20.81449     20.09699        -0.021114      0.009186     -0.164185
     10.71169      1.27759     13.52879         0.255046      0.076774     -0.082631
     11.44094     -0.19749     14.97565        -0.090903     -0.016724     -0.026438
      9.44309     20.90069     14.06445        -0.088409     -0.148530     -0.135270
      8.98465      3.76737      9.54534        -0.031407      0.012752      0.043160
     10.41701      2.97887     11.01842        -0.079901      0.009040      0.064802
     10.29642      2.11972      9.01275        -0.086026     -0.001474      0.217702
      6.07278      1.97008     16.19396        -0.190718      0.073908      0.073310
      5.13996      1.20273     14.38496         0.031986      0.137282      0.043749
      7.10563      0.51468     14.99524         0.097053     -0.055363     -0.146381
      4.38826      5.10783     11.96728         0.124854     -0.032999     -0.126247
      2.73037      3.72752     11.64386        -0.078781      0.149795     -0.116780
      4.35876      3.21646     13.00587         0.038723      0.104932      0.016070
      7.36360      4.58634      5.47719        -0.078127      0.063361     -0.065301
      7.60639      2.99371      6.92465         0.154746      0.034241      0.013577
      5.60556      3.50861      6.12519         0.005466     -0.072684     -0.077474
     -0.57200      7.25344      4.66990        -0.068789      0.029433      0.075404
      0.73832      7.20562      2.97637        -0.133208     -0.047981      0.306353
     -1.08405      5.93698      3.01911         0.073731      0.143109      0.117784
      2.96465      5.84657      9.91011        -0.222155     -0.128802     -0.080478
      1.63319      4.60003      8.74815        -0.044829     -0.130445     -0.215106
      3.73706      4.78564      8.17271        -0.294884      0.172357      0.138149
      6.18326      6.83298      3.52839         0.079826     -0.095579     -0.139127
      4.28570      7.61177      4.29722        -0.168309      0.151631     -0.041238
      4.91856      5.65891      4.89717         0.098602      0.004109      0.053262
     -0.29153      8.45664     21.05173        -0.019465     -0.154809      0.044356
      1.32699      7.15382     -0.87364        -0.034908      0.043226     -0.045158
      0.04709      6.55665      0.76691         0.219576     -0.111416     -0.067950
     19.47569      9.58300     19.25529        -0.047993     -0.023846     -0.116007
     19.53496     10.25071     17.16425        -0.035850      0.034996     -0.059686
     18.11818      8.72467     17.78153        -0.007669     -0.061535      0.076518
      4.81602      8.45446     20.01825         0.327732     -0.110590      0.113022
      3.63119      6.91087     19.14656        -0.149960     -0.320937      0.094769
      4.63505      8.31559     17.82979         0.082933     -0.026893     -0.258481
      3.11008     11.70563     14.17929        -0.006562     -0.015033      0.059013
      2.63539     11.33140     16.28392         0.200167     -0.021136      0.107957
      4.10596     10.09631     15.25417        -0.105269      0.133930     -0.031833
     17.21090     11.26651     13.56365        -0.141989     -0.057111      0.122470
     18.68310      9.92863     12.74924        -0.154159     -0.040834      0.004003
     18.10343      9.75978     14.86503        -0.050618     -0.046707     -0.014474
     16.26311     14.23598      9.81580         0.067224      0.093606     -0.158245
     17.94882     14.87044      8.52933         0.024367      0.043853     -0.009117
     16.38375     13.65955      7.69067        -0.034119      0.016599     -0.023868
      1.88157     12.66055     12.21699        -0.033666      0.009220     -0.246308
      0.46017     11.15613     11.69543         0.087451      0.080490      0.005757
      1.41842     12.32656     10.10811         0.045309      0.133783     -0.062853
      1.19664     15.82921      6.62909        -0.088766      0.044802     -0.058162
      0.34031     15.53786      8.63698         0.046784      0.025601      0.099299
      1.87527     14.20415      7.91493         0.105460     -0.060419     -0.147197
     18.04599     16.45485      2.44708         0.150360      0.070667     -0.026130
     19.47298     14.90182      3.01845         0.005476     -0.062552      0.026327
     17.34572     14.75606      3.59695         0.077631      0.059548     -0.051372
 -----------------------------------------------------------------------------------
    total drift:                               -0.007894     -0.014680     -0.002475


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4578.1240311472 eV

  energy  without entropy=    -4578.2787980105  energy(sigma->0) =    -4578.17562010
 
 d Force = 0.2872158E-01[-0.222E-03, 0.577E-01]  d Energy = 0.2871042E-01 0.112E-04
 d Force = 0.2119723E+03[ 0.212E+03, 0.212E+03]  d Ewald  = 0.2119723E+03 0.651E-04


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   84(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3160
 total energy-change (2. order) : 0.7175272E+00  (-0.5819628E+02)
 number of electron    2497.9999915 magnetization 
 augmentation part      162.7445866 magnetization 

  free energy =  -0.457740650043E+04  energy without entropy=  -0.457756002688E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   84(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3528
 total energy-change (2. order) :-0.1262742E+01  (-0.1497583E+01)
 number of electron    2497.9999915 magnetization 
 augmentation part      162.7988833 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8611
  0.8611

  free energy =  -0.457866924207E+04  energy without entropy=  -0.457882306208E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   84(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3720
 total energy-change (2. order) : 0.3908306E-01  (-0.2796219E-01)
 number of electron    2497.9999915 magnetization 
 augmentation part      162.7502618 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4278
  1.0597  1.7960

  free energy =  -0.457863015900E+04  energy without entropy=  -0.457878401614E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   84(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) :-0.7155268E-02  (-0.2353852E-01)
 number of electron    2497.9999915 magnetization 
 augmentation part      162.7070105 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2886
  2.1945  0.8356  0.8356

  free energy =  -0.457863731427E+04  energy without entropy=  -0.457879143796E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   84(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3736
 total energy-change (2. order) :-0.4482035E-03  (-0.4545235E-02)
 number of electron    2497.9999915 magnetization 
 augmentation part      162.7183188 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3403
  2.4117  1.0249  1.0249  0.8998

  free energy =  -0.457863776248E+04  energy without entropy=  -0.457879179014E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   84(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3512
 total energy-change (2. order) : 0.1553330E-02  (-0.2456401E-02)
 number of electron    2497.9999915 magnetization 
 augmentation part      162.7226343 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2565
  2.3993  1.0421  1.0421  0.8994  0.8994

  free energy =  -0.457863620915E+04  energy without entropy=  -0.457879034646E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   84(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) :-0.2429355E-04  (-0.3969157E-03)
 number of electron    2497.9999915 magnetization 
 augmentation part      162.7253200 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2489
  2.4021  0.9970  0.9970  1.2039  1.2039  0.6896

  free energy =  -0.457863623344E+04  energy without entropy=  -0.457879023362E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   84(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) : 0.9236042E-04  (-0.7561503E-04)
 number of electron    2497.9999915 magnetization 
 augmentation part      162.7282441 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2295
  2.4680  1.0587  1.0587  1.2693  1.2693  0.8343  0.6480

  free energy =  -0.457863614108E+04  energy without entropy=  -0.457879023990E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   84(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3616
 total energy-change (2. order) :-0.2812772E-04  (-0.3254013E-04)
 number of electron    2497.9999915 magnetization 
 augmentation part      162.7267872 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2295
  2.5104  1.6340  1.0298  1.0298  1.1030  0.9513  0.9513  0.6261

  free energy =  -0.457863616921E+04  energy without entropy=  -0.457879016707E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   84(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3112
 total energy-change (2. order) :-0.7466762E-05  (-0.5146726E-05)
 number of electron    2497.9999915 magnetization 
 augmentation part      162.7267872 magnetization 

  free energy =  -0.457863617667E+04  energy without entropy=  -0.457879023598E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0285       2 -56.1114       3 -55.9966       4 -55.8313       5 -55.8384
       6 -56.2791       7 -58.1178       8 -58.2298       9 -56.2522      10 -55.9177
      11 -56.0072      12 -55.8089      13 -55.7784      14 -55.9443      15 -58.0714
      16 -58.0950      17 -56.3428      18 -54.9943      19 -54.8939      20 -55.0586
      21 -55.6315      22 -55.5719      23 -55.5847      24 -55.6127      25 -55.0203
      26 -54.7740      27 -54.9274      28 -54.9308      29 -60.3970      30 -60.3692
      31 -55.7060      32 -55.8170      33 -55.7167      34 -55.4536      35 -55.5365
      36 -56.0182      37 -57.8181      38 -57.9451      39 -56.1196      40 -55.8384
      41 -55.9598      42 -55.7001      43 -55.7474      44 -55.9265      45 -58.0972
      46 -58.1512      47 -56.4783      48 -55.1421      49 -54.9598      50 -55.3013
      51 -55.8909      52 -55.8340      53 -55.7563      54 -55.7339      55 -55.0532
      56 -54.8559      57 -54.9741      58 -56.3717      59 -60.3436      60 -60.6325
      61 -55.9363      62 -56.0156      63 -55.8901      64 -55.7674      65 -55.7238
      66 -56.1753      67 -58.0191      68 -58.1223      69 -56.1782      70 -55.8766
      71 -55.9684      72 -55.6917      73 -55.6799      74 -55.9002      75 -58.0358
      76 -58.0612      77 -56.3097      78 -55.0751      79 -54.9060      80 -55.1977
      81 -55.7825      82 -55.7901      83 -55.8753      84 -55.8906      85 -55.2840
      86 -55.0183      87 -55.2021      88 -56.3895      89 -60.6634      90 -60.3833
      91 -55.7584      92 -55.8752      93 -55.7791      94 -55.5481      95 -55.6134
      96 -56.1138      97 -57.9115      98 -57.9986      99 -56.2160     100 -55.9139
     101 -56.0512     102 -55.7205     103 -55.7814     104 -55.9971     105 -58.1178
     106 -58.1535     107 -56.4233     108 -55.1723     109 -54.9651     110 -55.3856
     111 -55.8835     112 -55.8296     113 -55.7186     114 -55.6797     115 -55.0138
     116 -54.8057     117 -54.9552     118 -56.2600     119 -60.4086     120 -60.5923
     121 -55.9753     122 -55.9972     123 -55.8748     124 -55.7878     125 -55.7958
     126 -56.2127     127 -58.0939     128 -58.1724     129 -56.1806     130 -55.8118
     131 -55.9116     132 -55.7265     133 -55.6561     134 -55.8245     135 -57.9199
     136 -58.0334     137 -56.3520     138 -55.0662     139 -54.9351     140 -55.3442
     141 -55.8699     142 -55.7918     143 -55.8504     144 -55.8395     145 -55.1741
     146 -55.0884     147 -55.2384     148 -56.3645     149 -60.4964     150 -60.5345
     151 -55.6518     152 -55.7468     153 -55.5971     154 -55.4403     155 -55.4771
     156 -55.9247     157 -57.8963     158 -57.9160     159 -55.9998     160 -55.7499
     161 -55.9205     162 -55.5498     163 -55.5604     164 -55.7827     165 -57.9409
     166 -58.0760     167 -56.3566     168 -55.0388     169 -54.8346     170 -55.1913
     171 -55.8303     172 -55.8647     173 -55.8692     174 -55.7894     175 -55.2730
     176 -55.0309     177 -55.1162     178 -56.4969     179 -60.4611     180 -60.5595
     181 -55.8196     182 -56.0608     183 -55.9233     184 -55.6050     185 -55.6371
     186 -56.1917     187 -57.8908     188 -58.1853     189 -56.2318     190 -55.8529
     191 -56.0170     192 -55.7268     193 -55.7041     194 -55.9052     195 -58.0003
     196 -58.1497     197 -56.5163     198 -55.0659     199 -54.9485     200 -55.3059
     201 -55.8266     202 -55.8360     203 -55.8907     204 -55.8428     205 -55.1039
     206 -55.2008     207 -55.1877     208 -56.4636     209 -60.6627     210 -60.4862
     211 -55.9900     212 -56.0293     213 -55.9202     214 -55.8367     215 -55.7898
     216 -56.2878     217 -58.1398     218 -58.1228     219 -56.1552     220 -55.8231
     221 -55.9429     222 -55.5816     223 -55.5264     224 -55.8135     225 -57.9419
     226 -58.1069     227 -56.4456     228 -55.0046     229 -54.9059     230 -55.1996
     231 -55.7265     232 -55.7252     233 -55.6766     234 -55.6903     235 -54.9964
     236 -55.0895     237 -55.1937     238 -56.4192     239 -60.3239     240 -60.3989
     241 -55.9857     242 -56.0356     243 -55.9241     244 -55.7765     245 -55.7806
     246 -56.2257     247 -58.0841     248 -58.1476     249 -56.2114     250 -55.8806
     251 -55.9879     252 -55.7573     253 -55.7565     254 -55.9356     255 -58.0163
     256 -58.0549     257 -56.3399     258 -55.0635     259 -54.9044     260 -55.2490
     261 -55.7847     262 -55.7624     263 -55.8259     264 -55.8611     265 -55.2222
     266 -54.9573     267 -55.1871     268 -56.3530     269 -60.5904     270 -60.3802
     271 -55.8670     272 -55.9335     273 -55.7972     274 -55.6722     275 -55.6289
     276 -56.0379     277 -58.0586     278 -58.0750     279 -55.9309     280 -55.6637
     281 -55.7803     282 -55.5041     283 -55.5232     284 -55.7890     285 -58.0267
     286 -57.9368     287 -56.3538     288 -55.0430     289 -54.8877     290 -55.2173
     291 -55.8297     292 -55.7920     293 -55.8518     294 -55.8460     295 -55.2114
     296 -54.9909     297 -55.0505     298 -56.4178     299 -60.5244     300 -60.5486
     301 -55.8721     302 -56.0250     303 -55.9353     304 -55.6543     305 -55.6906
     306 -56.2060     307 -58.0282     308 -58.2324     309 -56.2436     310 -55.9228
     311 -56.0081     312 -55.7095     313 -55.6990     314 -55.8859     315 -57.9574
     316 -58.1134     317 -56.3900     318 -55.0235     319 -54.8640     320 -55.2735
     321 -55.7748     322 -55.7383     323 -55.8518     324 -55.8616     325 -55.1819
     326 -55.0918     327 -55.2287     328 -56.3980     329 -60.5454     330 -60.4589
     331 -55.7127     332 -55.7464     333 -55.6325     334 -55.5605     335 -55.5463
     336 -55.9689     337 -57.9070     338 -57.8988     339 -55.8834     340 -55.6194
     341 -55.7410     342 -55.4643     343 -55.4797     344 -55.7375     345 -57.9037
     346 -57.9304     347 -56.4458     348 -54.9887     349 -54.9619     350 -55.2825
     351 -55.7686     352 -55.7156     353 -55.7111     354 -55.7262     355 -55.1667
     356 -54.9647     357 -55.0216     358 -56.4134     359 -60.4706     360 -60.5032
     361 -39.0750     362 -38.8054     363 -38.9265     364 -39.0359     365 -38.9480
     366 -38.7697     367 -38.0587     368 -38.1033     369 -37.9893     370 -38.1528
     371 -38.1711     372 -38.2086     373 -38.7116     374 -38.3472     375 -38.6916
     376 -38.8329     377 -38.8626     378 -38.7978     379 -38.1441     380 -38.1347
     381 -38.2802     382 -38.0303     383 -38.2427     384 -37.9311     385 -38.9429
     386 -38.7800     387 -38.9265     388 -38.9335     389 -38.9019     390 -38.5973
     391 -38.2362     392 -38.2941     393 -38.2219     394 -38.2192     395 -38.1453
     396 -38.3163     397 -38.7908     398 -38.5025     399 -38.7991     400 -38.9172
     401 -38.8414     402 -38.7944     403 -38.1955     404 -38.1968     405 -38.4537
     406 -38.0696     407 -38.0741     408 -37.8774     409 -38.8157     410 -38.7971
     411 -38.9851     412 -38.7846     413 -38.9779     414 -38.6826     415 -38.2187
     416 -38.2975     417 -38.2964     418 -38.2039     419 -38.1982     420 -38.3557
     421 -38.6588     422 -38.3898     423 -38.6007     424 -38.7473     425 -38.5998
     426 -38.5980     427 -38.2156     428 -38.0468     429 -38.3045     430 -38.2006
     431 -38.0765     432 -37.9867     433 -38.7978     434 -38.6418     435 -38.8784
     436 -38.7154     437 -38.9332     438 -38.6436     439 -38.3055     440 -38.0544
     441 -38.1625     442 -38.0706     443 -38.2440     444 -38.0708     445 -38.8924
     446 -38.8408     447 -38.9815     448 -38.7906     449 -38.8426     450 -38.4085
     451 -38.0418     452 -37.9562     453 -38.0855     454 -37.9085     455 -38.1250
     456 -38.1723     457 -38.9600     458 -38.7570     459 -38.9060     460 -38.9376
     461 -38.9353     462 -38.7481     463 -38.1469     464 -38.3694     465 -38.2419
     466 -38.3016     467 -38.0820     468 -38.1601     469 -38.8880     470 -38.6934
     471 -38.7472     472 -38.8018     473 -38.6459     474 -38.5555     475 -38.2964
     476 -38.0675     477 -38.2035     478 -38.1532     479 -38.1440     480 -37.9746
     481 -38.8961     482 -38.7306     483 -38.9249     484 -38.9020     485 -38.9768
     486 -38.7617     487 -38.1022     488 -38.1579     489 -38.2483     490 -38.2562
     491 -38.2410     492 -38.3606     493 -38.7925     494 -38.5087     495 -38.6344
     496 -38.7465     497 -38.5299     498 -38.4705     499 -38.1383     500 -37.8984
     501 -38.2126     502 -38.1178     503 -38.0594     504 -37.9725     505 -38.2663
     506 -41.1573     507 -71.6953     508 -71.5938     509 -71.3577     510 -71.6032
     511 -71.4341     512 -71.5030     513 -71.4006     514 -71.5119     515 -71.6023
     516 -71.4636     517 -71.4422     518 -71.4552     519 -71.4467     520 -71.5876
     521 -71.5287     522 -71.4668     523 -71.5796     524 -71.4733     525 -71.5362
     526 -71.4445     527 -71.6285     528 -71.5275     529 -71.1870     530 -71.5674
     531 -76.8820     532 -76.7832     533 -76.7499     534 -76.7601     535 -76.5597
     536 -76.4723     537 -76.8055     538 -76.7977     539 -76.8086     540 -76.7606
     541 -76.7124     542 -76.7129     543 -76.6372     544 -76.6351     545 -76.8176
     546 -76.7994     547 -76.8188     548 -76.7500     549 -76.6862     550 -76.5658
     551 -76.5642     552 -76.5776     553 -76.7136     554 -76.6643     555 -76.7867
     556 -76.5718     557 -76.7747     558 -76.6552     559 -76.7601     560 -76.8371
     561 -76.7217     562 -76.5906     563 -76.7897     564 -76.7519     565 -76.7013
     566 -76.6887     567 -76.7445     568 -76.7486     569 -76.5554     570 -76.7589
     571 -76.8911     572 -76.7275     573 -76.7796     574 -76.6091     575 -76.5292
     576 -76.5406     577 -76.5501     578 -76.4639     579 -82.2838     580 -82.3203
     581 -82.2801     582 -82.3416     583 -82.2877     584 -82.2706     585 -82.5209
     586 -82.5315     587 -82.5862     588 -82.1731     589 -82.1467     590 -82.3131
     591 -82.3135     592 -82.2017     593 -82.3279     594 -82.5957     595 -82.6090
     596 -82.5168     597 -82.5502     598 -82.4499     599 -82.5269     600 -82.3109
     601 -82.2407     602 -82.3748     603 -82.4198     604 -82.3827     605 -82.4296
     606 -82.3229     607 -82.2749     608 -82.4805     609 -82.6185     610 -82.2842
     611 -82.4220     612 -82.4190     613 -82.3545     614 -82.2621     615 -82.5489
     616 -82.4735     617 -82.4107     618 -82.5678     619 -82.7538     620 -82.5544
     621 -82.2248     622 -82.4375     623 -82.2070     624 -82.1814     625 -82.3704
     626 -82.0982     627 -82.2023     628 -82.2451     629 -82.3048     630 -82.3325
     631 -82.6426     632 -82.3681     633 -82.4522     634 -82.4783     635 -82.4846
     636 -82.3689     637 -82.4706     638 -82.3200     639 -82.3335     640 -82.4129
     641 -82.4082     642 -82.3419     643 -82.5030     644 -82.4169     645 -82.4079
     646 -82.3532     647 -82.4997     648 -82.3547     649 -82.4032     650 -82.2807
 
 
 
 E-fermi :  -1.4725     XC(G=0):  -6.5338     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.0048      2.00000
      2     -28.9128      2.00000
      3     -28.8998      2.00000
      4     -28.8783      2.00000
      5     -28.8437      2.00000
      6     -28.8352      2.00000
      7     -28.8242      2.00000
      8     -28.8058      2.00000
      9     -28.7830      2.00000
     10     -28.7752      2.00000
     11     -28.7454      2.00000
     12     -28.7315      2.00000
     13     -28.7230      2.00000
     14     -28.7078      2.00000
     15     -28.6784      2.00000
     16     -28.6639      2.00000
     17     -28.6575      2.00000
     18     -28.6542      2.00000
     19     -28.6191      2.00000
     20     -28.6036      2.00000
     21     -28.5891      2.00000
     22     -28.5772      2.00000
     23     -28.5584      2.00000
     24     -28.5482      2.00000
     25     -26.7592      2.00000
     26     -26.6582      2.00000
     27     -26.6390      2.00000
     28     -26.6055      2.00000
     29     -26.6009      2.00000
     30     -26.5825      2.00000
     31     -26.5810      2.00000
     32     -26.5755      2.00000
     33     -26.5753      2.00000
     34     -26.5713      2.00000
     35     -26.5641      2.00000
     36     -26.5326      2.00000
     37     -26.5257      2.00000
     38     -26.5102      2.00000
     39     -26.5068      2.00000
     40     -26.4948      2.00000
     41     -26.4774      2.00000
     42     -26.4635      2.00000
     43     -26.4464      2.00000
     44     -26.4425      2.00000
     45     -26.4307      2.00000
     46     -26.4218      2.00000
     47     -26.4116      2.00000
     48     -26.4082      2.00000
     49     -26.4001      2.00000
     50     -26.3925      2.00000
     51     -26.3874      2.00000
     52     -26.3866      2.00000
     53     -26.3842      2.00000
     54     -26.3792      2.00000
     55     -26.3757      2.00000
     56     -26.3754      2.00000
     57     -26.3686      2.00000
     58     -26.3681      2.00000
     59     -26.3640      2.00000
     60     -26.3587      2.00000
     61     -26.3386      2.00000
     62     -26.3335      2.00000
     63     -26.3186      2.00000
     64     -26.3051      2.00000
     65     -26.2932      2.00000
     66     -26.2879      2.00000
     67     -26.2804      2.00000
     68     -26.2699      2.00000
     69     -26.2456      2.00000
     70     -26.2369      2.00000
     71     -26.1986      2.00000
     72     -26.1482      2.00000
     73     -23.2713      2.00000
     74     -23.2178      2.00000
     75     -23.2148      2.00000
     76     -23.2125      2.00000
     77     -23.2109      2.00000
     78     -23.1810      2.00000
     79     -23.1689      2.00000
     80     -23.1505      2.00000
     81     -23.1476      2.00000
     82     -23.1396      2.00000
     83     -23.1095      2.00000
     84     -23.1089      2.00000
     85     -23.1074      2.00000
     86     -23.0941      2.00000
     87     -23.0821      2.00000
     88     -23.0633      2.00000
     89     -23.0297      2.00000
     90     -23.0168      2.00000
     91     -23.0088      2.00000
     92     -22.9709      2.00000
     93     -22.9669      2.00000
     94     -22.9332      2.00000
     95     -22.9142      2.00000
     96     -22.8952      2.00000
     97     -22.8315      2.00000
     98     -22.8099      2.00000
     99     -22.7996      2.00000
    100     -22.7760      2.00000
    101     -22.7699      2.00000
    102     -22.7520      2.00000
    103     -22.7422      2.00000
    104     -22.7285      2.00000
    105     -22.7128      2.00000
    106     -22.7021      2.00000
    107     -22.6679      2.00000
    108     -22.6576      2.00000
    109     -22.6562      2.00000
    110     -22.6395      2.00000
    111     -22.6073      2.00000
    112     -22.5976      2.00000
    113     -22.5804      2.00000
    114     -22.5589      2.00000
    115     -22.5402      2.00000
    116     -22.5330      2.00000
    117     -22.5193      2.00000
    118     -22.4591      2.00000
    119     -22.4326      2.00000
    120     -22.3703      2.00000
    121     -20.4942      2.00000
    122     -20.4168      2.00000
    123     -20.4158      2.00000
    124     -20.3864      2.00000
    125     -20.3863      2.00000
    126     -20.3579      2.00000
    127     -20.3496      2.00000
    128     -20.3437      2.00000
    129     -20.3284      2.00000
    130     -20.3236      2.00000
    131     -20.3136      2.00000
    132     -20.3083      2.00000
    133     -20.2950      2.00000
    134     -20.2934      2.00000
    135     -20.2700      2.00000
    136     -20.2660      2.00000
    137     -20.2649      2.00000
    138     -20.2309      2.00000
    139     -20.2028      2.00000
    140     -20.1546      2.00000
    141     -20.1118      2.00000
    142     -20.1036      2.00000
    143     -20.0843      2.00000
    144     -20.0617      2.00000
    145     -18.6569      2.00000
    146     -18.5594      2.00000
    147     -18.5547      2.00000
    148     -18.5498      2.00000
    149     -18.4880      2.00000
    150     -18.4837      2.00000
    151     -18.4826      2.00000
    152     -18.4782      2.00000
    153     -18.4645      2.00000
    154     -18.4455      2.00000
    155     -18.4027      2.00000
    156     -18.3875      2.00000
    157     -18.3407      2.00000
    158     -18.2849      2.00000
    159     -18.2556      2.00000
    160     -18.2352      2.00000
    161     -18.2206      2.00000
    162     -18.2152      2.00000
    163     -18.2141      2.00000
    164     -18.1891      2.00000
    165     -18.1612      2.00000
    166     -18.1530      2.00000
    167     -18.1284      2.00000
    168     -18.0801      2.00000
    169     -17.9402      2.00000
    170     -17.9239      2.00000
    171     -17.9164      2.00000
    172     -17.8918      2.00000
    173     -17.8703      2.00000
    174     -17.8605      2.00000
    175     -17.8395      2.00000
    176     -17.8334      2.00000
    177     -17.8072      2.00000
    178     -17.7800      2.00000
    179     -17.7628      2.00000
    180     -17.7523      2.00000
    181     -17.5930      2.00000
    182     -17.5749      2.00000
    183     -17.5561      2.00000
    184     -17.5269      2.00000
    185     -17.5217      2.00000
    186     -17.5122      2.00000
    187     -17.4995      2.00000
    188     -17.4909      2.00000
    189     -17.4826      2.00000
    190     -17.4601      2.00000
    191     -17.4530      2.00000
    192     -17.4352      2.00000
    193     -16.7571      2.00000
    194     -16.7340      2.00000
    195     -16.7019      2.00000
    196     -16.6938      2.00000
    197     -16.6684      2.00000
    198     -16.6395      2.00000
    199     -16.6006      2.00000
    200     -16.5910      2.00000
    201     -16.5532      2.00000
    202     -16.5281      2.00000
    203     -16.5241      2.00000
    204     -16.4869      2.00000
    205     -16.1680      2.00000
    206     -16.1648      2.00000
    207     -16.1465      2.00000
    208     -16.1183      2.00000
    209     -16.0810      2.00000
    210     -16.0575      2.00000
    211     -16.0089      2.00000
    212     -15.9822      2.00000
    213     -15.9548      2.00000
    214     -15.9154      2.00000
    215     -15.8942      2.00000
    216     -15.8031      2.00000
    217     -15.7642      2.00000
    218     -15.6934      2.00000
    219     -15.6612      2.00000
    220     -15.6492      2.00000
    221     -15.6342      2.00000
    222     -15.6056      2.00000
    223     -15.6003      2.00000
    224     -15.5974      2.00000
    225     -15.5854      2.00000
    226     -15.5626      2.00000
    227     -15.5245      2.00000
    228     -15.4719      2.00000
    229     -15.4511      2.00000
    230     -15.4474      2.00000
    231     -15.4437      2.00000
    232     -15.4335      2.00000
    233     -15.4259      2.00000
    234     -15.4204      2.00000
    235     -15.4076      2.00000
    236     -15.4006      2.00000
    237     -15.3964      2.00000
    238     -15.3895      2.00000
    239     -15.3828      2.00000
    240     -15.3702      2.00000
    241     -15.3676      2.00000
    242     -15.3639      2.00000
    243     -15.3393      2.00000
    244     -15.3341      2.00000
    245     -15.3318      2.00000
    246     -15.3122      2.00000
    247     -15.3068      2.00000
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   1382       3.9710      0.00000
   1383       3.9751      0.00000
   1384       4.0003      0.00000
   1385       4.0032      0.00000
   1386       4.0206      0.00000
   1387       4.0290      0.00000
   1388       4.0393      0.00000
   1389       4.0478      0.00000
   1390       4.0590      0.00000
   1391       4.0657      0.00000
   1392       4.0870      0.00000
   1393       4.0939      0.00000
   1394       4.1016      0.00000
   1395       4.1098      0.00000
   1396       4.1287      0.00000
   1397       4.1543      0.00000
   1398       4.1598      0.00000
   1399       4.1643      0.00000
   1400       4.1896      0.00000
   1401       4.1959      0.00000
   1402       4.2011      0.00000
   1403       4.2230      0.00000
   1404       4.2331      0.00000
   1405       4.2452      0.00000
   1406       4.2571      0.00000
   1407       4.2703      0.00000
   1408       4.2997      0.00000
   1409       4.3096      0.00000
   1410       4.3304      0.00000
   1411       4.3368      0.00000
   1412       4.3518      0.00000
   1413       4.3582      0.00000
   1414       4.3711      0.00000
   1415       4.3889      0.00000
   1416       4.3979      0.00000
   1417       4.4171      0.00000
   1418       4.4264      0.00000
   1419       4.4357      0.00000
   1420       4.4425      0.00000
   1421       4.4515      0.00000
   1422       4.4635      0.00000
   1423       4.4876      0.00000
   1424       4.5025      0.00000
   1425       4.5229      0.00000
   1426       4.5283      0.00000
   1427       4.5384      0.00000
   1428       4.5614      0.00000
   1429       4.5885      0.00000
   1430       4.6134      0.00000
   1431       4.6343      0.00000
   1432       4.6428      0.00000
   1433       4.6749      0.00000
   1434       4.7106      0.00000
   1435       4.7279      0.00000
   1436       4.7722      0.00000
   1437       4.7792      0.00000
   1438       4.7929      0.00000
   1439       4.8248      0.00000
   1440       4.8354      0.00000
   1441       4.8610      0.00000
   1442       4.8735      0.00000
   1443       4.9124      0.00000
   1444       4.9181      0.00000
   1445       4.9264      0.00000
   1446       4.9407      0.00000
   1447       4.9538      0.00000
   1448       4.9776      0.00000
   1449       5.0031      0.00000
   1450       5.0099      0.00000
   1451       5.0405      0.00000
   1452       5.0483      0.00000
   1453       5.0612      0.00000
   1454       5.0810      0.00000
   1455       5.0857      0.00000
   1456       5.1052      0.00000
   1457       5.1352      0.00000
   1458       5.1454      0.00000
   1459       5.1553      0.00000
   1460       5.1808      0.00000
   1461       5.1885      0.00000
   1462       5.2035      0.00000
   1463       5.2338      0.00000
   1464       5.2351      0.00000
   1465       5.2471      0.00000
   1466       5.2608      0.00000
   1467       5.2682      0.00000
   1468       5.2717      0.00000
   1469       5.2971      0.00000
   1470       5.3042      0.00000
   1471       5.3147      0.00000
   1472       5.3201      0.00000
   1473       5.3305      0.00000
   1474       5.3387      0.00000
   1475       5.3478      0.00000
   1476       5.3530      0.00000
   1477       5.3702      0.00000
   1478       5.3792      0.00000
   1479       5.3829      0.00000
   1480       5.3988      0.00000
   1481       5.4095      0.00000
   1482       5.4147      0.00000
   1483       5.4174      0.00000
   1484       5.4305      0.00000
   1485       5.4429      0.00000
   1486       5.4466      0.00000
   1487       5.4663      0.00000
   1488       5.4741      0.00000
   1489       5.4780      0.00000
   1490       5.4935      0.00000
   1491       5.4988      0.00000
   1492       5.5060      0.00000
   1493       5.5115      0.00000
   1494       5.5148      0.00000
   1495       5.5251      0.00000
   1496       5.5321      0.00000
   1497       5.5385      0.00000
   1498       5.5475      0.00000
   1499       5.5607      0.00000
   1500       5.5676      0.00000
   1501       5.5715      0.00000
   1502       5.5801      0.00000
   1503       5.5941      0.00000
   1504       5.6037      0.00000
   1505       5.6055      0.00000
   1506       5.6207      0.00000
   1507       5.6299      0.00000
   1508       5.6325      0.00000
   1509       5.6355      0.00000
   1510       5.6494      0.00000
   1511       5.6569      0.00000
   1512       5.6730      0.00000
   1513       5.6758      0.00000
   1514       5.6865      0.00000
   1515       5.7082      0.00000
   1516       5.7227      0.00000
   1517       5.7241      0.00000
   1518       5.7296      0.00000
   1519       5.7329      0.00000
   1520       5.7413      0.00000
   1521       5.7510      0.00000
   1522       5.7639      0.00000
   1523       5.7684      0.00000
   1524       5.7805      0.00000
   1525       5.7933      0.00000
   1526       5.8000      0.00000
   1527       5.8151      0.00000
   1528       5.8274      0.00000
   1529       5.8359      0.00000
   1530       5.8405      0.00000
   1531       5.8521      0.00000
   1532       5.8575      0.00000
   1533       5.8731      0.00000
   1534       5.8750      0.00000
   1535       5.8896      0.00000
   1536       5.9020      0.00000
   1537       5.9045      0.00000
   1538       5.9062      0.00000
   1539       5.9243      0.00000
   1540       5.9331      0.00000
   1541       5.9515      0.00000
   1542       5.9622      0.00000
   1543       5.9716      0.00000
   1544       5.9806      0.00000
   1545       5.9858      0.00000
   1546       5.9917      0.00000
   1547       5.9963      0.00000
   1548       6.0086      0.00000
   1549       6.0254      0.00000
   1550       6.0351      0.00000
   1551       6.0357      0.00000
   1552       6.0416      0.00000
   1553       6.0508      0.00000
   1554       6.0632      0.00000
   1555       6.0753      0.00000
   1556       6.0787      0.00000
   1557       6.0869      0.00000
   1558       6.1029      0.00000
   1559       6.1092      0.00000
   1560       6.1136      0.00000
   1561       6.1213      0.00000
   1562       6.1330      0.00000
   1563       6.1415      0.00000
   1564       6.1470      0.00000
   1565       6.1567      0.00000
   1566       6.1657      0.00000
   1567       6.1825      0.00000
   1568       6.1918      0.00000
   1569       6.1979      0.00000
   1570       6.2069      0.00000
   1571       6.2228      0.00000
   1572       6.2251      0.00000
   1573       6.2302      0.00000
   1574       6.2377      0.00000
   1575       6.2474      0.00000
   1576       6.2638      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.087  13.411  -0.001   0.001  -0.000   0.002  -0.004   0.001
 13.411  17.830  -0.001   0.002  -0.000   0.002  -0.006   0.001
 -0.001  -0.001  -4.232   0.003   0.000   8.278  -0.004  -0.001
  0.001   0.002   0.003  -4.232   0.001  -0.004   8.277  -0.001
 -0.000  -0.000   0.000   0.001  -4.225  -0.001  -0.001   8.269
  0.002   0.002   8.278  -0.004  -0.001 -18.321   0.007   0.001
 -0.004  -0.006  -0.004   8.277  -0.001   0.007 -18.317   0.000
  0.001   0.001  -0.001  -0.001   8.269   0.001   0.000 -18.312
 total augmentation occupancy for first ion, spin component:           1
  8.439  -3.799   0.172   0.133  -0.064   0.021   0.025  -0.010
 -3.799   1.783  -0.089  -0.093   0.039  -0.009  -0.015   0.006
  0.172  -0.089   1.779  -0.061  -0.035   0.168  -0.012  -0.006
  0.133  -0.093  -0.061   1.893  -0.098  -0.012   0.177  -0.013
 -0.064   0.039  -0.035  -0.098   1.227  -0.006  -0.013   0.081
  0.021  -0.009   0.168  -0.012  -0.006   0.018  -0.002  -0.001
  0.025  -0.015  -0.012   0.177  -0.013  -0.002   0.018  -0.002
 -0.010   0.006  -0.006  -0.013   0.081  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -48847.77319 83444.07157 18706.18150 -9251.01956  6123.64929 17649.93458
  Hartree  6927.91353110385.72478 56519.75056 -9694.66169  4086.00836 11868.56557
  E(xc)  -10736.77845-10588.78847-10631.02161     2.72039     8.36869    33.85062
  Local    8490.05928************************ 18945.07260-10226.81511-28899.21610
  n-local -5843.48112 -5984.42191 -6040.45050     6.25738    16.46297   -67.65462
  augment  1493.00669  1535.53629  1487.17923     4.37765    12.53223    -4.27424
  Kinetic 45481.69724 43266.11104 43674.12760   -36.90025   -71.17371  -587.61784
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -127.4972978   -384.6303910   -143.3665247    -24.1534763    -50.9672784     -6.4120312
  in kB      -21.2611949    -64.1401964    -23.9075155     -4.0277855     -8.4992016     -1.0692575
  external PRESSURE =     -36.4363023 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.218E+03 -.105E+03 0.236E+03   0.218E+03 0.105E+03 -.238E+03   -.288E+00 -.456E+00 0.154E+01   0.210E-02 0.305E-02 -.119E-02
   -.175E+03 -.130E+03 0.557E+02   0.175E+03 0.131E+03 -.555E+02   0.198E+00 -.130E+01 -.322E+00   0.192E-02 0.325E-02 0.159E-03
   -.141E+03 -.120E+03 0.510E+01   0.141E+03 0.121E+03 -.350E+01   0.342E+00 -.133E+01 -.165E+01   0.167E-02 0.162E-02 0.346E-03
   -.202E+03 -.906E+02 0.325E+03   0.202E+03 0.906E+02 -.327E+03   -.228E+00 -.678E-02 0.255E+01   0.201E-02 0.181E-02 -.146E-02
   -.154E+03 -.143E+03 0.290E+03   0.154E+03 0.143E+03 -.291E+03   0.784E-01 -.835E+00 0.108E+01   0.175E-02 0.113E-02 -.104E-02
   -.128E+03 -.108E+03 0.168E+03   0.128E+03 0.108E+03 -.168E+03   0.174E+00 -.179E+00 0.113E+00   0.149E-02 0.613E-03 -.613E-04
   -.217E+03 -.129E+03 0.164E+03   0.216E+03 0.134E+03 -.165E+03   0.503E+00 -.439E+01 0.962E+00   0.297E-02 0.320E-02 -.277E-02
   -.170E+03 -.101E+03 0.309E+02   0.171E+03 0.105E+03 -.328E+02   -.422E+00 -.409E+01 0.212E+01   0.218E-02 0.483E-02 0.526E-03
   -.903E+02 0.346E+01 0.196E+03   0.903E+02 -.345E+01 -.196E+03   0.762E-01 -.917E-01 0.178E+00   0.151E-02 -.697E-03 -.213E-03
   -.718E+02 0.888E+02 0.596E+02   0.714E+02 -.904E+02 -.585E+02   0.469E+00 0.170E+01 -.113E+01   0.159E-02 -.122E-02 -.131E-03
   -.743E+02 0.102E+03 0.127E+03   0.741E+02 -.103E+03 -.127E+03   0.281E+00 0.125E+01 0.891E-01   0.174E-02 -.189E-02 -.736E-04
   -.904E+02 -.576E+01 0.326E+03   0.905E+02 0.548E+01 -.327E+03   -.117E+00 0.248E+00 0.130E+01   0.163E-02 -.127E-02 -.764E-03
   -.969E+02 -.488E+02 0.353E+03   0.972E+02 0.498E+02 -.355E+03   -.179E+00 -.112E+01 0.227E+01   0.209E-02 -.211E-02 -.464E-03
   -.965E+02 0.157E+02 0.292E+03   0.965E+02 -.159E+02 -.294E+03   -.122E+00 -.187E-01 0.151E+01   0.210E-02 -.229E-02 -.265E-03
   -.868E+02 0.956E+02 0.256E+03   0.860E+02 -.995E+02 -.258E+03   0.823E+00 0.385E+01 0.248E+01   0.235E-02 -.328E-02 0.116E-03
   -.679E+02 0.113E+03 0.966E+02   0.677E+02 -.116E+03 -.100E+03   0.242E+00 0.302E+01 0.357E+01   0.163E-02 -.251E-02 0.369E-03
   -.563E+02 0.941E+02 0.431E+02   0.569E+02 -.894E+02 -.387E+02   -.576E+00 -.458E+01 -.443E+01   0.286E-02 -.143E-02 0.102E-02
   0.114E+02 0.197E+03 -.155E+03   -.119E+02 -.199E+03 0.157E+03   0.670E+00 0.194E+01 -.212E+01   0.201E-02 -.764E-03 0.186E-02
   0.375E+02 0.152E+03 -.199E+03   -.379E+02 -.152E+03 0.201E+03   0.302E+00 0.290E+00 -.173E+01   0.206E-02 -.442E-03 0.246E-02
   -.601E+02 0.945E+02 0.175E+03   0.612E+02 -.936E+02 -.178E+03   -.115E+01 -.913E+00 0.330E+01   0.388E-02 -.629E-03 0.151E-02
   0.874E+01 0.587E+02 0.433E+01   -.993E+01 -.602E+02 -.300E+01   0.114E+01 0.144E+01 -.126E+01   0.430E-02 -.129E-03 0.177E-02
   0.262E+02 0.107E+02 -.121E+03   -.263E+02 -.110E+02 0.122E+03   0.655E-01 0.136E+00 -.928E+00   0.299E-02 -.131E-03 0.223E-02
   -.690E+01 -.409E+02 -.166E+03   0.736E+01 0.410E+02 0.165E+03   -.410E+00 -.352E+00 0.436E+00   0.254E-02 -.820E-03 0.197E-02
   -.218E+02 -.803E+02 -.223E+03   0.228E+02 0.820E+02 0.222E+03   -.113E+01 -.185E+01 0.107E+01   0.163E-02 -.116E-02 0.227E-02
   -.102E+01 -.162E+03 -.324E+03   0.438E+00 0.163E+03 0.326E+03   0.596E+00 -.784E+00 -.173E+01   0.146E-02 -.121E-02 0.255E-02
   -.897E+02 -.160E+03 -.149E+03   0.910E+02 0.160E+03 0.147E+03   -.128E+01 -.813E-01 0.159E+01   0.367E-02 -.937E-03 0.112E-02
   -.845E+02 -.271E+03 -.180E+03   0.851E+02 0.272E+03 0.179E+03   -.471E+00 -.814E+00 0.408E+00   0.308E-02 -.983E-03 0.105E-02
   -.305E+02 -.262E+03 -.274E+03   0.305E+02 0.263E+03 0.275E+03   -.190E-01 -.124E+01 -.379E+00   0.200E-02 -.942E-03 0.223E-02
   -.423E+02 -.286E+02 -.211E+03   0.481E+02 0.365E+02 0.206E+03   -.599E+01 -.800E+01 0.478E+01   0.979E-03 -.983E-03 0.182E-02
   -.193E+01 0.482E+02 0.185E+02   -.276E+01 -.568E+02 -.135E+02   0.443E+01 0.851E+01 -.504E+01   0.543E-02 -.909E-03 0.311E-02
   -.169E+03 -.180E+02 -.520E+02   0.169E+03 0.183E+02 0.535E+02   -.183E+00 -.706E-01 -.165E+01   0.970E-03 0.254E-02 -.273E-03
   -.108E+03 -.138E+03 0.134E+03   0.107E+03 0.139E+03 -.133E+03   0.137E+00 -.140E+01 -.264E+00   0.815E-03 0.212E-02 -.355E-03
   -.115E+03 -.153E+03 0.191E+03   0.114E+03 0.154E+03 -.192E+03   0.455E+00 -.174E+01 0.111E+01   0.608E-03 0.948E-03 -.375E-03
   -.267E+03 0.170E+02 -.180E+03   0.268E+03 -.184E+02 0.183E+03   -.215E+00 0.139E+01 -.240E+01   0.203E-02 0.240E-02 0.587E-05
   -.267E+03 -.553E+02 -.187E+03   0.268E+03 0.555E+02 0.188E+03   -.226E+00 -.107E+00 -.115E+01   0.202E-02 0.101E-02 -.809E-04
   -.180E+03 -.705E+02 0.769E+01   0.180E+03 0.703E+02 -.761E+01   0.370E+00 0.109E+00 0.198E-01   0.845E-03 0.349E-03 -.398E-03
   -.866E+02 -.518E+02 -.246E+02   0.873E+02 0.557E+02 0.271E+02   -.869E+00 -.403E+01 -.254E+01   0.375E-03 0.353E-02 -.745E-03
   -.591E+02 -.133E+03 0.104E+03   0.591E+02 0.137E+03 -.101E+03   -.628E-01 -.312E+01 -.367E+01   0.765E-03 0.257E-02 -.288E-03
   -.155E+03 0.491E+02 0.139E+02   0.155E+03 -.494E+02 -.140E+02   0.875E-01 0.298E+00 0.338E-01   0.343E-03 -.649E-03 -.508E-03
   -.764E+02 0.508E+02 0.217E+03   0.762E+02 -.520E+02 -.219E+03   0.287E+00 0.120E+01 0.178E+01   0.661E-04 -.145E-02 -.205E-03
   -.503E+02 0.709E+02 0.134E+03   0.501E+02 -.723E+02 -.134E+03   0.227E+00 0.148E+01 0.284E+00   -.524E-03 -.202E-02 0.455E-03
   -.193E+03 0.973E+02 -.210E+03   0.193E+03 -.982E+02 0.211E+03   -.500E-01 0.918E+00 -.877E+00   0.604E-03 -.374E-03 0.927E-04
   -.165E+03 0.524E+02 -.283E+03   0.165E+03 -.526E+02 0.285E+03   -.267E+00 0.208E+00 -.231E+01   -.590E-04 0.718E-05 0.840E-03
   -.924E+02 0.557E+02 -.129E+03   0.927E+02 -.565E+02 0.130E+03   -.204E+00 0.689E+00 -.137E+01   -.898E-03 -.121E-02 0.151E-02
   -.471E+02 0.975E+02 -.622E+02   0.472E+02 -.103E+03 0.622E+02   -.150E+00 0.459E+01 -.452E+00   -.163E-02 -.180E-02 0.297E-02
   -.134E+02 0.780E+02 0.143E+03   0.130E+02 -.824E+02 -.141E+03   0.234E+00 0.449E+01 -.196E+01   -.755E-03 -.308E-02 -.103E-04
   0.283E+02 0.406E+02 0.109E+03   -.266E+02 -.349E+02 -.110E+03   -.173E+01 -.559E+01 0.188E+01   -.116E-02 -.154E-02 0.173E-02
   -.176E+02 0.128E+03 0.265E+03   0.186E+02 -.129E+03 -.268E+03   -.992E+00 0.105E+01 0.245E+01   0.573E-03 -.136E-02 -.110E-02
   -.320E+02 0.117E+03 0.222E+03   0.330E+02 -.116E+03 -.224E+03   -.902E+00 -.491E+00 0.204E+01   0.173E-03 -.224E-02 -.126E-02
   0.594E+02 0.632E+02 -.302E+02   -.608E+02 -.634E+02 0.330E+02   0.150E+01 0.240E+00 -.279E+01   -.240E-02 0.216E-03 0.488E-02
   0.132E+02 0.231E+02 0.392E+02   -.127E+02 -.242E+02 -.412E+02   -.460E+00 0.112E+01 0.185E+01   -.196E-02 -.742E-03 0.463E-02
   -.160E+02 0.638E+01 0.819E+02   0.165E+02 -.622E+01 -.828E+02   -.417E+00 -.284E+00 0.719E+00   -.311E-03 -.108E-02 0.123E-02
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   0.110E+03 -.638E+02 -.434E+03   -.120E+03 0.756E+02 0.485E+03   0.969E+01 -.118E+02 -.511E+02   -.782E-03 -.723E-03 -.353E-02
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   -.207E+03 0.431E+03 -.581E+02   0.237E+03 -.475E+03 0.636E+02   -.303E+02 0.435E+02 -.563E+01   -.323E-03 -.793E-03 -.177E-02
   -.129E+03 -.416E+03 -.174E+03   0.139E+03 0.468E+03 0.181E+03   -.946E+01 -.528E+02 -.707E+01   -.328E-02 0.955E-03 0.561E-03
   0.584E+03 0.179E+03 0.201E+02   -.635E+03 -.181E+03 -.270E+02   0.502E+02 0.284E+01 0.676E+01   -.243E-02 0.265E-03 0.234E-02
   0.183E+01 0.128E+03 -.310E+03   0.910E+01 -.150E+03 0.358E+03   -.108E+02 0.222E+02 -.471E+02   -.314E-02 0.284E-03 0.744E-04
   -.359E+03 -.111E+03 0.310E+03   0.381E+03 0.132E+03 -.354E+03   -.224E+02 -.207E+02 0.439E+02   0.108E-02 0.381E-02 -.717E-03
   -.445E+03 0.338E+03 -.863E+02   0.478E+03 -.377E+03 0.984E+02   -.326E+02 0.393E+02 -.121E+02   -.283E-03 0.434E-02 -.101E-02
   0.186E+03 0.308E+03 0.156E+03   -.231E+03 -.327E+03 -.176E+03   0.452E+02 0.194E+02 0.196E+02   0.394E-03 0.348E-02 -.573E-03
   0.455E+03 -.209E+03 0.852E+02   -.476E+03 0.243E+03 -.505E+02   0.214E+02 -.347E+02 -.347E+02   -.879E-03 0.258E-02 0.540E-02
   0.151E+03 -.207E+03 0.253E+03   -.121E+03 0.237E+03 -.283E+03   -.295E+02 -.302E+02 0.308E+02   0.672E-03 0.185E-02 0.355E-02
   0.769E+03 0.153E+03 0.459E+03   -.811E+03 -.171E+03 -.489E+03   0.420E+02 0.173E+02 0.298E+02   -.184E-02 0.201E-02 0.498E-02
   0.108E+03 -.147E+03 -.415E+03   -.965E+02 0.160E+03 0.466E+03   -.122E+02 -.129E+02 -.516E+02   -.272E-02 0.251E-02 0.290E-03
   0.479E+03 0.399E+03 -.175E+03   -.519E+03 -.434E+03 0.180E+03   0.392E+02 0.351E+02 -.473E+01   -.363E-02 0.299E-02 -.964E-03
   -.120E+03 0.217E+03 0.778E+02   0.161E+03 -.242E+03 -.928E+02   -.415E+02 0.247E+02 0.151E+02   -.238E-02 0.341E-02 -.160E-03
   -.561E+03 -.185E+03 0.422E+03   0.611E+03 0.198E+03 -.432E+03   -.499E+02 -.129E+02 0.102E+02   -.168E-03 0.146E-02 0.467E-03
   0.109E+02 -.394E+03 0.484E+02   -.344E+02 0.439E+03 -.283E+02   0.234E+02 -.450E+02 -.201E+02   0.108E-02 -.112E-03 -.843E-03
   -.559E+02 0.133E+03 -.471E+02   0.563E+02 -.165E+03 0.887E+02   -.276E+00 0.321E+02 -.416E+02   -.519E-03 0.367E-02 -.183E-02
   0.770E+03 -.173E+03 0.837E+02   -.810E+03 0.205E+03 -.102E+03   0.405E+02 -.317E+02 0.178E+02   -.240E-02 0.392E-02 -.801E-03
   0.185E+03 0.290E+03 0.252E+03   -.163E+03 -.307E+03 -.295E+03   -.221E+02 0.173E+02 0.431E+02   0.293E-03 0.384E-02 -.290E-02
   0.636E+03 0.396E+03 0.171E+03   -.662E+03 -.438E+03 -.151E+03   0.263E+02 0.419E+02 -.206E+02   0.272E-04 0.413E-02 0.103E-02
   0.609E+03 -.203E+03 -.386E+03   -.606E+03 0.220E+03 0.437E+03   -.272E+01 -.176E+02 -.514E+02   -.125E-02 0.160E-02 0.225E-02
   0.494E+03 -.378E+03 -.291E+02   -.492E+03 0.418E+03 -.202E+01   -.263E+01 -.401E+02 0.311E+02   -.644E-03 0.139E-02 0.711E-04
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   -.477E+03 -.287E+02 -.313E+03   0.510E+03 0.366E+02 0.352E+03   -.332E+02 -.811E+01 -.388E+02   -.322E-02 0.202E-02 -.103E-02
   -.521E+02 0.476E+03 -.601E+02   0.419E+02 -.529E+03 0.682E+02   0.100E+02 0.523E+02 -.809E+01   -.190E-02 0.409E-02 -.276E-03
   -.260E+03 -.396E+02 0.212E+03   0.286E+03 0.426E+02 -.258E+03   -.261E+02 -.312E+01 0.453E+02   -.340E-02 0.172E-02 0.992E-03
   -.255E+03 -.365E+03 0.319E+02   0.262E+03 0.404E+03 -.675E+02   -.744E+01 -.386E+02 0.357E+02   -.172E-02 0.211E-03 -.106E-02
   0.127E+02 -.365E+03 -.321E+03   -.215E+02 0.387E+03 0.368E+03   0.902E+01 -.219E+02 -.469E+02   0.972E-04 -.466E-03 0.681E-03
   -.474E+03 -.127E+02 -.235E+01   0.521E+03 -.993E+01 0.803E+01   -.468E+02 0.227E+02 -.569E+01   -.780E-03 0.426E-03 -.795E-03
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   0.681E+03 0.293E+03 -.389E+03   -.693E+03 -.327E+03 0.429E+03   0.117E+02 0.342E+02 -.391E+02   -.108E-02 -.513E-03 -.476E-03
   0.383E+03 -.925E+02 -.605E+03   -.416E+03 0.108E+03 0.642E+03   0.330E+02 -.149E+02 -.371E+02   0.279E-02 -.423E-03 0.281E-02
   -.158E+02 -.380E+03 -.849E+02   0.475E+02 0.421E+03 0.723E+02   -.317E+02 -.403E+02 0.126E+02   0.326E-02 -.138E-02 -.436E-02
   0.236E+03 0.137E+03 0.170E+03   -.265E+03 -.142E+03 -.215E+03   0.290E+02 0.521E+01 0.453E+02   0.779E-02 0.421E-03 0.140E-02
   -.256E+03 -.195E+03 -.370E+03   0.296E+03 0.202E+03 0.404E+03   -.398E+02 -.759E+01 -.342E+02   -.237E-02 -.349E-03 -.278E-02
   0.205E+03 0.327E+03 -.235E+03   -.218E+03 -.376E+03 0.249E+03   0.127E+02 0.491E+02 -.140E+02   -.205E-02 0.157E-02 -.280E-02
   -.663E+02 -.101E+03 0.143E+03   0.871E+02 0.975E+02 -.191E+03   -.207E+02 0.375E+01 0.484E+02   -.332E-02 0.466E-04 -.132E-02
   -.185E+03 -.440E+03 0.351E+03   0.201E+03 0.478E+03 -.385E+03   -.161E+02 -.374E+02 0.338E+02   -.626E-02 0.148E-02 -.465E-02
   0.105E+03 -.424E+03 -.249E+03   -.120E+03 0.447E+03 0.292E+03   0.143E+02 -.233E+02 -.426E+02   -.502E-02 -.323E-02 -.544E-02
   -.304E+03 -.924E+02 0.739E+02   0.348E+03 0.659E+02 -.595E+02   -.447E+02 0.264E+02 -.146E+02   -.302E-02 -.743E-03 -.258E-02
   0.137E+03 -.256E+03 0.758E+03   -.151E+03 0.288E+03 -.799E+03   0.141E+02 -.316E+02 0.409E+02   0.749E-02 0.195E-02 0.280E-02
   -.922E+02 0.177E+03 0.468E+03   0.133E+03 -.205E+03 -.485E+03   -.410E+02 0.279E+02 0.176E+02   0.456E-02 0.223E-02 0.480E-02
   0.279E+03 0.342E+03 0.442E+03   -.320E+03 -.373E+03 -.439E+03   0.408E+02 0.308E+02 -.251E+01   0.807E-02 0.201E-02 0.438E-02
 -----------------------------------------------------------------------------------------------
   0.369E+02 0.721E+01 -.152E+02   0.124E-10 -.233E-11 -.489E-11   -.368E+02 -.724E+01 0.152E+02   -.495E-01 0.361E-01 0.164E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.21650      3.15302      1.33981        -0.091612      0.200102      0.149264
     12.97015      3.60103      2.63791        -0.025830     -0.079019     -0.073682
     12.89897      4.96313      2.95221        -0.020216     -0.158688     -0.052865
     13.27507      4.06579      0.29160         0.062792      0.034251      0.116629
     13.15768      5.42919      0.59265         0.066953     -0.030968      0.053476
     13.03336      5.92771      1.91921         0.078854      0.023220     -0.160375
     13.32640      1.67003      1.35221         0.000932      0.252827      0.138837
     12.77038      2.39016      3.49792         0.139316      0.016252      0.149010
     13.10548      7.40771      2.20154         0.007169     -0.076910     -0.091374
     13.09484      7.91814      3.52510         0.106569      0.061806     -0.034955
     13.31012      9.27908      3.73478         0.026979      0.110934      0.051681
     13.27363      8.35045      1.14867         0.008295     -0.033289      0.129638
     13.48213      9.71756      1.37373         0.047770     -0.190189      0.022885
     13.51991     10.16864      2.68677        -0.053498     -0.161020     -0.009452
     13.76721     11.52527      3.23259         0.077089     -0.114890      0.223518
     13.38770     10.05584      5.00930         0.055230     -0.111366      0.162253
     13.74883     12.50861      5.59217        -0.025870      0.090375     -0.107418
     13.48188     12.35811      6.95864         0.111246      0.003574      0.021532
     13.56585     13.45430      7.81525        -0.044485      0.121347      0.256659
     14.10107     13.79951      5.16313        -0.015309     -0.016765     -0.041909
     14.17402     14.89626      6.03859        -0.050342     -0.068388      0.071387
     13.87087     14.77975      7.43865         0.004233     -0.169293     -0.049894
     13.91592     15.90065      8.46801         0.052883     -0.306544     -0.154713
     13.20741     15.97625      9.71394        -0.083060     -0.153508      0.103143
     13.26568     17.13744     10.50018         0.016929     -0.013914      0.006883
     14.74240     17.00636      8.20662         0.051596      0.007216      0.043040
     14.75100     18.17646      8.95321         0.098269      0.012003      0.136342
     13.98559     18.25984     10.10490        -0.083861     -0.054770      0.041749
     12.38945     14.85995     10.33290        -0.181691     -0.041126      0.099163
     14.73308     16.12510      5.34939        -0.254944     -0.039972     -0.034313
      9.88716      3.83879      4.67082         0.032708      0.149249     -0.087046
      9.70561      4.76226      3.64135         0.025232     -0.122943     -0.030664
      9.71246      6.14771      3.88362         0.028714     -0.070599     -0.023505
     10.18796      4.27659      5.95645         0.059872     -0.024338      0.046689
     10.27814      5.65088      6.18581        -0.005112      0.107150     -0.067264
     10.00243      6.63199      5.18916         0.078078     -0.056252      0.095954
      9.70924      2.45810      4.14029        -0.076473     -0.177733      0.016447
      9.57063      3.97263      2.36348        -0.095451      0.147659     -0.360721
     10.05211      8.09901      5.56066         0.010388      0.022786     -0.030974
     10.05606      9.15356      4.60754         0.052578     -0.015134     -0.032648
     10.15372     10.47920      5.04136         0.088510      0.114333     -0.055651
     10.10197      8.49141      6.92663         0.015385      0.037426     -0.154284
     10.18568      9.82271      7.35543        -0.107404      0.014203     -0.195171
     10.21671     10.82715      6.38991         0.044679     -0.093003     -0.076630
     10.29100     12.31469      6.50962        -0.093666     -0.385756     -0.459910
     10.24115     11.74412      4.24488        -0.132124      0.044892     -0.198033
     10.68745     14.19407      4.81724        -0.012010      0.090346      0.034328
     11.23536     14.53056      3.57521         0.025711     -0.034632     -0.058543
     11.60241     15.84771      3.29148         0.099230      0.007283     -0.015419
     10.54071     15.26366      5.72086         0.143318     -0.011369      0.044890
     10.95582     16.58382      5.44689         0.084918      0.031150     -0.189845
     11.53743     16.95484      4.16863         0.072557     -0.131385     -0.130901
     12.06749     18.32039      3.70311         0.066529      0.129903     -0.074293
     12.69757     18.70912      2.44373        -0.187207     -0.108710      0.217443
     12.99243     20.05473      2.17099        -0.049940      0.102218      0.037733
     11.93546     19.42878      4.56703         0.014057      0.014595     -0.000461
     12.22700     20.76491      4.29764        -0.062332      0.111241     -0.007094
     12.73579     21.12503      3.04831        -0.046343     -0.125742      0.025880
     13.19983     17.81283      1.30335         0.077091      0.164693     -0.002187
     10.76944     17.50672      6.64418        -0.038222     -0.207225     -0.022731
     10.66959      7.06829     14.85405        -0.080837      0.005593      0.162468
     10.59988      7.49860     16.18258         0.006567      0.012901     -0.186050
     10.61229      8.86469     16.50971        -0.036267     -0.223915     -0.072934
     10.66634      7.99217     13.81393        -0.019299      0.033791      0.088883
     10.62016      9.35137     14.14404         0.121444     -0.180485     -0.038351
     10.63972      9.83917     15.47536         0.010665     -0.015284     -0.050602
     10.62852      5.57835     14.80826        -0.096208      0.361293      0.800879
     10.43183      6.26855     17.04301         0.096652     -0.054272     -0.899804
     10.67978     11.33070     15.72131        -0.028787     -0.215334     -0.041488
     10.74623     11.91510     17.01333         0.069144      0.205881     -0.039725
     10.80901     13.30896     17.12225         0.008406      0.127620      0.051335
     10.67537     12.21636     14.61325         0.016845      0.119657      0.061762
     10.77499     13.60438     14.73005         0.082621      0.103195      0.052145
     10.84357     14.14865     16.00704        -0.010847     -0.107266      0.114067
     10.93576     15.56819     16.45601         0.086793     -0.174684      0.136753
     10.83756     14.18386     18.34005         0.089607     -0.047671      0.155356
     10.79963     16.71231     18.71800         0.079304     -0.014361      0.051920
     10.05412     16.71057     19.88929        -0.009603      0.015399      0.032007
      9.87656     17.88512     20.62243        -0.042706      0.114154     -0.042279
     11.41183     17.92985     18.38911        -0.030442     -0.048401     -0.066025
     11.27250     19.10360     19.15413        -0.241023      0.101196      0.188216
     10.42822     19.15440     20.34638         0.040597     -0.070849     -0.048093
     10.08864     20.34005      0.03954        -0.021453      0.068476     -0.039067
      9.35533     20.29534      1.29603         0.044176      0.195639      0.041200
      9.17067      0.18891      2.10040         0.070872     -0.064666      0.044358
     10.48949      0.40738     20.99416         0.115814     -0.104236      0.023253
     10.34516      1.53845      0.55606        -0.098886     -0.046681     -0.133274
      9.69086      1.45750      1.78843         0.003383     -0.008382      0.062204
      8.69986     19.07047      1.92404         0.289362      0.119029      0.302308
     12.13264     20.22937     18.59904        -0.065724      0.057528      0.105225
      7.32095      7.66396     17.29281         0.120976      0.158010     -0.105901
      7.10823      8.58452     16.26794         0.102087     -0.072387     -0.158336
      7.06035      9.96396     16.52187         0.055824      0.013122      0.119151
      7.62563      8.09298     18.57616        -0.043349      0.100621     -0.046743
      7.65071      9.46935     18.81595         0.018512      0.052567     -0.001002
      7.32227     10.44940     17.83718        -0.002397      0.037677      0.081002
      7.20848      6.28448     16.76200        -0.114199      0.264295     -0.129876
      7.03941      7.78803     14.98446        -0.158872     -0.057383     -0.120802
      7.27887     11.92019     18.24258         0.024315     -0.155381      0.060465
      7.09582     13.00177     17.33746         0.006946      0.105271     -0.010797
      7.11658     14.32302     17.81027         0.023245      0.084345     -0.021305
      7.44251     12.27590     19.61155        -0.033967      0.024301     -0.175128
      7.41729     13.59238     20.08479        -0.075352      0.008669     -0.109960
      7.24954     14.62835     19.16779        -0.046023     -0.077352     -0.170512
      7.19091     16.11473     19.34723        -0.096863     -0.303346     -0.479382
      7.06907     15.63139     17.06421        -0.019067      0.066568      0.085345
      7.51991     18.07133     17.73331        -0.155869      0.044189     -0.028778
      8.37866     18.41603     16.68563         0.012876      0.021527      0.102752
      8.78614     19.74289     16.50896         0.161360     -0.097865     -0.002527
      7.03699     19.15377     18.48851         0.167592     -0.007544      0.047011
      7.43594     20.49977     18.28370         0.103272     -0.066367     -0.085653
      8.40710     20.86933     17.27141        -0.004158     -0.159430     -0.127579
      9.01979      0.98967     16.92493         0.140257      0.152230      0.113079
      9.82953      1.37172     15.77733        -0.104338      0.149152      0.040365
     10.27620      2.69733     15.60857         0.000356      0.034134      0.115339
      8.81992      2.09216     17.79064        -0.029179     -0.018148     -0.042898
      9.24438      3.41756     17.60656         0.100366     -0.182706      0.202494
      9.99803      3.76007     16.48389        -0.039462      0.237263     -0.064439
     10.35748      0.52439     14.61085        -0.243982      0.098086      0.280818
      6.72184      0.19931     19.21807        -0.202660     -0.118339      0.132627
      6.88636     10.80850      6.29373        -0.056046      0.132364      0.161737
      6.88113     11.27052      7.60825        -0.001716     -0.044958      0.022685
      6.92251     12.64099      7.92467         0.038404     -0.100075      0.001041
      6.94911     11.73449      5.25203        -0.051266      0.014553      0.075042
      6.99290     13.10272      5.56499        -0.004337     -0.073987      0.118223
      6.98030     13.62098      6.89227         0.001735      0.042386     -0.065844
      6.88160      9.31088      6.29853        -0.005899     -0.012992     -0.000497
      6.88180     10.05793      8.50148         0.037789     -0.070407      0.174667
      7.05691     15.13301      7.13123         0.012517     -0.095601     -0.026028
      7.15923     15.73912      8.41832         0.039165      0.002580     -0.100466
      7.26191     17.13707      8.53371         0.066842      0.018673     -0.012528
      7.09124     16.03071      6.02480         0.005772      0.017886      0.105600
      7.19536     17.42131      6.14792        -0.113078     -0.058720      0.028455
      7.24562     17.97460      7.42023        -0.009548     -0.192358      0.023814
      7.37647     19.39832      7.84473        -0.034171      0.055018     -0.128810
      7.51838     18.01400      9.72785        -0.002720     -0.110191      0.140861
      7.73906     20.53533     10.09399         0.167691      0.013311     -0.110861
      7.24007     20.51449     11.38934        -0.018509     -0.000485      0.037196
      7.23114      0.40832     12.16617        -0.091241      0.089474      0.163215
      8.40118      0.46133      9.71387         0.009810     -0.051840      0.027299
      8.53103      1.58044     10.57295        -0.240730     -0.042388      0.190371
      7.81590      1.64618     11.84554         0.015475     -0.091461     -0.061360
      7.58119      2.82517     12.81198         0.225512      0.288589     -0.403247
      6.95578      2.81067     14.11479        -0.097776      0.092746      0.192658
      6.76360      4.01503     14.83206        -0.071168     -0.328091      0.030521
      7.94703      4.14338     12.40478         0.057872     -0.267283     -0.012578
      7.84763      5.31089     13.17465        -0.176956     -0.046170      0.156133
      7.22928      5.26852     14.43386         0.102238      0.092106     -0.007760
      6.33410      1.63031     14.89617        -0.018277      0.373561      0.004331
      9.54931      2.59307     10.06803         0.106167      0.066253     -0.062213
      4.29364     11.56595     10.33734         0.041589      0.142499     -0.039489
      4.08254     12.43573      9.27299        -0.057748     -0.089462     -0.115681
      4.26250     13.81707      9.40505        -0.036165     -0.027621      0.113063
      4.75499     12.05259     11.55797        -0.080010      0.115385     -0.019190
      4.82321     13.43957     11.73358        -0.080981      0.000319     -0.146530
      4.54883     14.36218     10.68559         0.006003      0.003495      0.052640
      3.86725     10.19687      9.95327         0.036771     -0.012200     -0.041971
      3.59151     11.61005      8.11509         0.025224     -0.043011     -0.061163
      4.51251     15.84669     10.96173        -0.001153     -0.141970      0.019778
      4.07463     16.78474      9.98650        -0.013948      0.086220     -0.053565
      4.05934     18.15093     10.29468         0.058999      0.033596     -0.048480
      4.89413     16.35035     12.23492        -0.024453     -0.021120     -0.130054
      4.78760     17.70104     12.56764        -0.059991     -0.094655     -0.119424
      4.37029     18.58457     11.58161        -0.036674     -0.044897      0.086215
      4.25331     20.05518     11.66028        -0.110870     -0.359478     -0.290435
      3.86077     19.38670      9.44873         0.032520      0.124357     -0.022830
      4.37490      0.61441      9.95762         0.030290     -0.051758      0.097854
      4.93643      0.97241      8.73377         0.058237      0.126212     -0.083141
      5.47796      2.24778      8.57668         0.118545      0.038512     -0.081214
      4.25286      1.66537     10.87112         0.084009     -0.076061     -0.056666
      4.72350      2.98690     10.66165         0.076610      0.030497     -0.118725
      5.47598      3.34401      9.47836         0.041639     -0.024319      0.001327
      6.10772      4.70636      9.03309        -0.045610      0.051187     -0.090081
      6.57744      5.04889      7.70153        -0.189040     -0.129544      0.194342
      6.82226      6.37732      7.28941        -0.021363      0.161463      0.026876
      6.14070      5.84702      9.87780        -0.037508     -0.234308      0.028090
      6.34528      7.17511      9.46532        -0.006572      0.163061      0.091547
      6.65047      7.49915      8.13179         0.013907     -0.027555     -0.013982
      6.79040      4.04490      6.58014        -0.017211      0.262851     -0.179860
      4.09192      3.79214     11.78599         0.023382      0.242592     -0.127615
      0.77558     14.07337      1.07000         0.022109      0.103769     -0.025337
      1.49984     14.51581      2.17502        -0.008888     -0.126008     -0.079341
      1.53748     15.90008      2.47556        -0.092162      0.058571     -0.086019
      0.19501     14.94662      0.16405         0.107871     -0.014607      0.152838
      0.33787     16.31083      0.40150        -0.071490     -0.175081     -0.066922
      0.93630     16.84503      1.57218         0.119682      0.128994     -0.004491
      0.74672     12.60504      1.01066        -0.343962     -0.464134     -0.042611
      2.13521     13.24741      2.76442         0.054097     -0.282133      0.024293
      0.91344     18.37688      1.71443        -0.117323      0.051442     -0.233737
      1.34859     19.12998      2.83981         0.055833      0.108401      0.138138
      1.25173     20.53951      2.83406        -0.106115      0.133759     -0.048086
      0.39799     19.15370      0.62667        -0.062288      0.064518      0.114044
      0.23722     20.54366      0.65050        -0.017665     -0.047087     -0.022083
      0.66253     -0.02313      1.77655         0.099664     -0.228098      0.137671
      0.60182      1.43266      2.07513        -0.001025      0.112109     -0.056607
      1.70715      0.32809      3.82021         0.042763     -0.077286      0.216414
      1.32893      2.88562      4.04859         0.012915      0.097630     -0.037288
      2.02444      2.98626      5.25817         0.009534     -0.109722      0.075106
      2.15666      4.20591      5.91469         0.127103      0.016412      0.012329
      0.71124      4.08879      3.62296         0.129065     -0.281446      0.024108
      0.78726      5.28851      4.36557        -0.030799      0.026805     -0.031251
      1.59248      5.44107      5.54538         0.073703      0.095978      0.018580
      1.94957      6.70084      6.36963         0.175621      0.210234      0.105835
      2.40928      6.71102      7.73752         0.002021     -0.044812     -0.048787
      2.84452      7.87563      8.39357         0.057488     -0.016883      0.045572
      2.00287      8.01931      5.82231         0.016268     -0.258299      0.148266
      2.46614      9.18443      6.46989         0.118179      0.052302     -0.049837
      2.91940      9.14671      7.80558         0.016804     -0.228599      0.008729
      2.63490      5.50403      8.63076         0.214704      0.206669      0.011608
     -0.04625      6.39719      3.77585         0.117242     -0.086939      0.132429
      4.53515     14.13631      0.61702        -0.174260      0.180952     -0.186127
      3.96203     15.05661     -0.26368        -0.023006      0.130668      0.029208
      4.02846     16.44726     -0.04232        -0.112810      0.059166      0.060872
      5.16157     14.60745      1.76651        -0.011719      0.227677     -0.021202
      5.16010     15.99682      2.01674        -0.053450     -0.280589     -0.019121
      4.60203     16.98888      1.15428        -0.081311     -0.253264     -0.021202
      4.31716     12.75081      0.09480         0.034538      0.142183     -0.134376
      3.29765     14.25972     19.89434         0.160758     -0.030166      0.074966
      4.62606     18.47529      1.58071        -0.026328      0.042499      0.062395
      4.15627     19.60857      0.84168         0.012315      0.098641      0.070095
      4.29045     20.92389      1.35942         0.036681      0.085940      0.015033
      5.15953     18.79235      2.85754         0.052505      0.173301      0.070723
      5.33900     20.08898      3.35889        -0.044112     -0.015988     -0.083917
      4.92552     21.16326      2.57967        -0.044075      0.168070     -0.171268
      5.06685      1.38607      2.80766        -0.002965     -0.013205     -0.049511
      3.84804      1.02891      0.84146        -0.100745      0.118461     -0.165721
      4.05413      3.49030      1.70872         0.000373     -0.213457     -0.061072
      3.20389      4.04013      0.73556         0.081056      0.193304     -0.132562
      2.97616      5.42178      0.66735        -0.138708     -0.060626      0.017152
      4.59443      4.43496      2.61072         0.060214     -0.205356      0.000464
      4.23289      5.80516      2.61780        -0.102893     -0.151134     -0.050665
      3.38613      6.39059      1.61467         0.154014      0.062043      0.160978
      2.93376      7.86509      1.58186         0.330717     -0.084352     -0.094920
      1.68033      8.38825      1.11911         0.382034      0.274466     -0.241958
      1.34298      9.74486      1.30279        -0.175345     -0.257807     -0.220921
      3.77848      8.87351      2.10721        -0.023139      0.167539      0.149698
      3.41314     10.21633      2.35879         0.266032     -0.137862     -0.157241
      2.16860     10.70098      1.92167        -0.187922      0.208360      0.091840
      0.68953      7.62427      0.24613        -0.401956      0.057527      0.258051
      4.88386      6.49530      3.80721        -0.125080     -0.194027     -0.016484
     18.01596     17.32209     13.90916         0.074023      0.221884      0.058854
     18.97484     17.79674     14.80333         0.062359     -0.124604     -0.002670
     19.19540     19.16590     15.00488         0.024662     -0.046182     -0.081989
     17.33170     18.22358     13.09598        -0.000203      0.077266      0.123590
     17.61988     19.58889     13.22297         0.068143      0.019397      0.115225
     18.50216     20.11792     14.20734        -0.170743     -0.002909      0.020843
     17.99089     15.83175     13.96464         0.125328      0.154436      0.151939
     19.69668     16.59894     15.35818         0.001382      0.068684      0.183815
     18.63572      0.35789     14.39362        -0.018805     -0.028156      0.034368
     19.50062      0.94416     15.35657        -0.070738      0.147443     -0.004567
     19.52597      2.33686     15.51312        -0.070386      0.075487      0.091811
     17.83637      1.25918     13.63694         0.051256     -0.077460      0.099601
     17.86090      2.64808     13.80317         0.046766      0.036842      0.127682
     18.71749      3.18937     14.76037        -0.006901     -0.159411      0.054795
     18.93736      4.60341     15.19999         0.205695     -0.337173      0.126785
     20.31383      3.18843     16.46472         0.176786      0.008904      0.190138
     20.52834      5.71959     16.84991        -0.248702      0.134902      0.162983
      0.59979      5.71882     17.26046        -0.145224      0.147115     -0.038131
      1.21124      6.88642     17.70590         0.144679      0.305710      0.037638
     19.83588      6.92032     17.09036         0.073278     -0.087792      0.069724
     20.43563      8.06895     17.67493        -0.136929     -0.178904     -0.277026
      0.59588      8.13837     17.94292         0.145427     -0.135674      0.055643
      1.44860      9.31888     18.49347         0.398578     -0.254587     -0.088441
      2.82634      9.30571     18.99936        -0.466413      0.219328     -0.205079
      3.42429     10.50537     19.45441         0.247026     -0.088700      0.146582
      0.90034     10.61903     18.51507        -0.312030     -0.061233      0.080798
      1.48395     11.77001     19.05982        -0.201205      0.551475     -0.162394
      2.78797     11.74166     19.55893        -0.117775      0.064431      0.111750
      3.92413      8.22834     19.00218        -0.060679      0.271050      0.175481
     19.40267      9.14336     17.97807        -0.023593      0.196364      0.089437
      1.73474     18.32925     14.14456        -0.071054      0.087795      0.093048
      1.05256     19.23678     13.33324        -0.113772     -0.180656     -0.083340
      1.10121     20.61379     13.55287         0.086159     -0.140579      0.103960
      2.49210     18.77988     15.22026         0.093532      0.114748     -0.016604
      2.53577     20.15426     15.46568        -0.177009      0.117205     -0.131849
      1.84837     21.10114     14.65812         0.039449      0.087636      0.085606
      1.46056     16.94593     13.68488        -0.034306      0.070785     -0.230005
      0.29855     18.43975     12.30862         0.015324      0.091176      0.112103
      1.98449      1.30675     14.94831         0.094779      0.026388      0.071925
      1.48691      2.29655     14.07055        -0.101470      0.127004      0.148506
      1.76063      3.63840     14.33546         0.052251     -0.003425      0.023993
      2.65867      1.76290     16.11492        -0.062205     -0.163806     -0.221868
      3.01771      3.09224     16.32008        -0.053136      0.162778     -0.207811
      2.60682      4.02975     15.37255        -0.038041     -0.052786      0.023303
      2.83205      5.50101     15.27664        -0.384966     -0.303088     -0.226849
      1.25308      4.86998     13.67697        -0.754511      0.113896     -0.622850
      1.44042      7.33324     14.21548        -0.047173     -0.002327     -0.074300
      0.11488      7.63621     13.89823        -0.057047      0.010736      0.136908
     20.91299      8.93738     14.06065        -0.027142      0.027479      0.033051
      2.25569      8.42147     14.55746         0.013474      0.026332      0.131057
      1.78671      9.74651     14.67483        -0.121320      0.011300      0.069560
      0.38541     10.07296     14.47079        -0.120638     -0.177441     -0.048948
     20.88012     11.39596     14.61249        -0.095761      0.158362     -0.010037
     19.47524     11.66319     14.29919         0.195087      0.049485      0.050868
     18.93071     12.95971     14.41113         0.016238     -0.001902     -0.059932
      0.28001     12.56090     15.07607        -0.026186      0.024017      0.095958
     -0.26093     13.85078     15.15609         0.056827      0.030354     -0.085086
     19.67063     14.09534     14.79196        -0.053398     -0.070998      0.076610
     18.38687     10.65976     13.88819        -0.132425      0.217422      0.105804
      2.88972     10.71267     15.07877        -0.001342     -0.119882     -0.044994
     16.40819      0.42138      5.25650         0.015446      0.134736      0.144887
     16.94923      0.78211      6.48887        -0.057101     -0.010972     -0.017206
     16.84042      2.09780      6.98351         0.024257     -0.083958     -0.009999
     15.77478      1.35638      4.46323        -0.002563      0.055709      0.049751
     15.71350      2.66918      4.92876         0.035393      0.055531      0.009001
     16.22539      3.10476      6.18247        -0.084909     -0.000508     -0.078800
     16.71698     20.27104      4.94064        -0.010364      0.116404      0.092092
     17.68795     20.82805      6.99146        -0.045793     -0.012373     -0.036332
     16.17912      4.59889      6.50250        -0.051140     -0.045533     -0.083619
     16.68540      5.23481      7.67334        -0.046976      0.083264     -0.092145
     16.71028      6.64237      7.74007        -0.079706      0.055954      0.063405
     15.65419      5.47285      5.50822         0.105090      0.023854      0.019732
     15.72693      6.86422      5.56038         0.013735      0.013249      0.095768
     16.27321      7.45148      6.69256        -0.068089     -0.183193      0.083825
     16.52119      8.88331      7.00213        -0.040267      0.174831     -0.027237
     17.23720      7.56491      8.80331        -0.052533     -0.032008      0.115154
     17.64419     10.09334      8.94061        -0.040866      0.146080      0.105268
     18.67123      9.99872      9.87683        -0.101004     -0.116583      0.160895
     19.25957     11.13537     10.43105         0.015076      0.115824      0.055451
     17.20458     11.40455      8.67466        -0.018023     -0.088488     -0.102731
     17.82857     12.54809      9.22002         0.140330     -0.019366      0.144820
     18.95045     12.47102     10.12743        -0.116456     -0.066174     -0.007714
     19.75260     13.61115     10.78278         0.019298     -0.012369     -0.032989
     21.08095     13.55572     11.34814         0.189902     -0.040157      0.109402
      0.43446     14.69695     11.90886         0.070638     -0.119060      0.015642
     19.18515     14.90158     10.91493        -0.038576      0.000014      0.188786
     19.80797     16.03507     11.45291        -0.122555      0.057355      0.024515
     21.10271     15.95475     11.97343         0.003573      0.022058     -0.079101
      0.86177     12.42402     11.33356        -0.164949      0.125302      0.116316
     17.13192     13.82111      8.81571         0.148515     -0.002145     -0.253921
     20.23391      1.51772      6.25236         0.072091      0.206705      0.069008
     19.63016      2.54325      5.51505         0.085474     -0.160064      0.003876
     19.52624      3.83253      5.99736        -0.026691      0.042610      0.025022
     20.73305      1.77551      7.52135        -0.042257      0.167171      0.180642
     20.59428      3.07186      8.03945        -0.098342      0.067921     -0.170891
     20.01154      4.13395      7.29229         0.004263     -0.004418      0.019537
     20.25383      0.28405      5.42722        -0.004238     -0.047034      0.062920
     19.22516      1.98959      4.19115        -0.049253      0.085318     -0.092133
     20.02865      5.55602      7.74816        -0.044869      0.000369      0.137255
     19.57748      6.58177      6.89006        -0.055223     -0.066606     -0.066133
     19.90549      7.90306      7.16624        -0.057895     -0.092257      0.074777
     -0.70350      5.95370      9.00355        -0.105971      0.055486     -0.130840
     -0.41807      7.28687      9.29822         0.075506      0.118691     -0.049084
     20.60188      8.24563      8.30992         0.113233      0.074983      0.183967
     -0.29210      9.67805      8.20712         0.885638      0.581226      0.825082
     19.66152      9.13825      6.38429        -0.571900      0.135005     -0.962478
     20.28970     11.58793      6.66213         0.074170      0.344901     -0.045270
     19.33103     12.03405      5.74280        -0.208019     -0.079475     -0.132184
     19.15418     13.39027      5.49121        -0.126919      0.044775     -0.005662
     21.14061     12.58694      7.19123        -0.018629     -0.024533      0.036132
     20.98009     13.95492      6.89195        -0.118611      0.029271     -0.025217
     19.90639     14.43248      6.06640         0.027200     -0.003046      0.065889
     19.44512     15.86317      5.88124        -0.082760      0.035779      0.075726
     18.73451     16.39841      4.75373         0.043329     -0.023327      0.041069
     18.17485     17.68560      4.79324        -0.010541      0.064065      0.015349
     19.55494     16.77421      6.96338         0.034808     -0.108018     -0.008335
     19.02182     18.06214      6.99814        -0.018887     -0.025766      0.053869
     18.26110     18.53314      5.92012         0.054823     -0.090229     -0.012747
     18.43623     15.64223      3.45929         0.053089      0.177278     -0.001210
      0.77400     14.87174      7.48228        -0.056409      0.032291     -0.026049
     12.71484      5.25939      3.98465         0.024115     -0.004550      0.047121
     13.39727      3.72368     20.52250         0.029777      0.046761     -0.043765
     13.17568      6.11623     21.00525         0.048338      0.039287      0.065966
     12.95708      7.27425      4.39285        -0.034418     -0.051059     -0.001967
     13.26500      8.01257      0.11301         0.009415     -0.022983      0.005969
     13.64487     10.40775      0.54972        -0.027261      0.051116     -0.146155
     13.44022     13.23854      8.87277        -0.057605     -0.053493     -0.200715
     13.22555     11.37981      7.35654         0.074766      0.036741      0.077910
     14.30199     13.97765      4.10733         0.062969     -0.141842      0.222726
     12.73190     17.16460     11.44880        -0.076175     -0.035388     -0.053792
     15.42727     16.96357      7.37990         0.082666      0.009729      0.017976
     15.37314     19.01502      8.63480         0.056602     -0.024275      0.003684
      9.48537      6.83394      3.06645         0.028916      0.003101     -0.033567
     10.33865      3.56650      6.77154         0.071700      0.022697     -0.056403
     10.56629      5.96719      7.19040        -0.033268     -0.017163     -0.073772
      9.99739      8.95873      3.53504         0.021455     -0.049436      0.014079
     10.04385      7.73107      7.70032         0.017442     -0.083194      0.074141
     10.19877     10.05561      8.41899         0.041808      0.040993      0.076734
     11.99465     15.99718      2.29692         0.025053     -0.089681      0.108021
     11.42498     13.75695      2.83218        -0.087598      0.145026     -0.072352
     10.17293     15.05477      6.71791        -0.090722     -0.054445     -0.004036
     13.42766     20.27916      1.20980         0.092642      0.083869     -0.071376
     11.57902     19.26917      5.56527        -0.103882      0.138729     -0.080926
     12.00064      0.26318      5.04743         0.072875     -0.141741      0.006508
     10.54181      9.16279     17.55292         0.060033      0.010057      0.148325
     10.65612      7.67106     12.76752         0.049679      0.027665      0.121953
     10.56341     10.04301     13.30931         0.061605      0.078541     -0.043856
     10.76095     11.32070     17.92822        -0.030928     -0.069578     -0.037321
     10.59836     11.82989     13.60203         0.042553     -0.077128     -0.068627
     10.81989     14.24164     13.84580        -0.066630     -0.017366     -0.042457
      9.22599     17.76470      0.20984         0.021454     -0.077305     -0.200850
      9.56894     15.79852     20.23176         0.113129      0.058508      0.085644
     12.00181     17.98557     17.48017         0.047123     -0.034492      0.043445
      8.63992      0.06582      3.03959         0.005077      0.068765     -0.022622
     10.96557      0.60043     20.04155         0.052383     -0.006885      0.157411
     10.76141      2.48821      0.21877        -0.134768     -0.041257     -0.103678
      6.80718     10.65140     15.71719         0.042285      0.041093     -0.122549
      7.85001      7.37654     19.36639         0.002344      0.015795      0.036536
      7.93732      9.77158     19.82217        -0.054388      0.066623     -0.005153
      6.94682     12.83725     16.27072         0.061697     -0.066985     -0.086346
      7.58433     11.50210     20.36115        -0.031870     -0.048138      0.023914
      7.53284     13.77984     -0.10712         0.026724      0.067213      0.018718
      9.46783     19.88641     15.68811         0.168383     -0.130061      0.097516
      8.78050     17.65537     16.01796         0.027151      0.053995     -0.029636
      6.35430     18.95998     19.30861        -0.041527     -0.076083     -0.015664
     10.81576      2.90068     14.69773         0.178008      0.186610     -0.007427
      8.26361      1.93940     18.70115         0.026873      0.076964     -0.059660
      8.93590      4.16317     18.33874         0.160679     -0.116940     -0.003300
      6.89172     12.92166      8.97534         0.141773      0.086069      0.077980
      6.98483     11.41060      4.20913        -0.037228      0.003879      0.031781
      7.06693     13.78399      4.71904        -0.023761      0.045973      0.005483
      7.17775     15.13333      9.32330         0.066837     -0.045784      0.055016
      7.07079     15.64954      5.00824        -0.004733     -0.154074     -0.080822
      7.31066     18.06509      5.27400        -0.143085     -0.092463     -0.056595
      6.71182      0.30630     13.10537        -0.033423     -0.063876     -0.192026
      6.83413     19.59024     11.78612        -0.072260      0.029072      0.132895
      8.85207      0.52634      8.72463         0.066584     -0.077083      0.073778
      6.23422      3.95951     15.77321         0.034402     -0.009518      0.079103
      8.35129      4.27941     11.40351         0.032526     -0.010489      0.217304
      8.27327      6.24020     12.80258        -0.139413      0.033196     -0.181175
      4.15541     14.46407      8.53673        -0.125728     -0.029163     -0.020072
      4.99348     11.38131     12.37986        -0.076066     -0.076486      0.052699
      5.02401     13.80713     12.74209         0.102620     -0.034978     -0.108343
      3.74946     16.45012      9.00142         0.042641      0.034249     -0.063989
      5.30255     15.68911     12.99752        -0.048260     -0.066045     -0.016351
      5.05875     18.06508     13.55759         0.051315     -0.039479      0.060177
      5.94868      2.36423      7.62474        -0.010295     -0.196277      0.089503
      4.99029      0.28113      7.89535         0.103110     -0.055283      0.032398
      3.76896      1.44488     11.81442        -0.062445      0.054943      0.037947
      7.10874      6.53655      6.25452         0.012139      0.028533      0.077888
      5.96062      5.70201     10.93887        -0.088185      0.116048     -0.123278
      6.21421      7.98168     10.18718         0.127021     -0.193892      0.136839
      2.02200     16.25098      3.38829         0.079359     -0.028547      0.003822
     -0.31092     14.55375     20.53863        -0.047822      0.136338      0.028277
     -0.03208     16.95803     20.87056        -0.141073      0.064972      0.128169
      1.74378     18.63536      3.72768         0.071740     -0.010374      0.039487
      0.07432     18.67687     20.96427         0.006396     -0.071927      0.034610
     -0.20732     -0.17446     21.06771         0.075077     -0.131914      0.028257
      2.79486      4.17498      6.77308         0.123413     -0.162054     -0.016864
      2.46231      2.09992      5.71194         0.153471      0.073904     -0.062434
      0.13092      4.08772      2.70353        -0.064179     -0.008049      0.053260
      3.15308      7.78140      9.42832         0.013681      0.068112     -0.081522
      1.72511      8.15076      4.78451        -0.048815      0.059924     -0.153751
      2.51287     10.11798      5.90767        -0.087257     -0.073639     -0.028846
      3.60242     17.09170     20.45133        -0.132747      0.203879     -0.045112
      5.60509     13.89991      2.47919        -0.061765      0.245929     -0.065151
      5.60530     16.27875      2.96593         0.088143      0.155365      0.027651
      3.69782     19.48465     -0.13511        -0.096013     -0.038481     -0.181332
      5.50672     17.99786      3.50525         0.017324     -0.162762      0.112863
      5.80569     20.25353      4.33277        -0.030651     -0.044428     -0.011578
      2.44306      5.74620     -0.21224        -0.209196     -0.024773      0.058205
      2.71596      3.40260      0.00149         0.121746      0.040158     -0.068527
      5.30477      4.11800      3.37303        -0.176660     -0.180303     -0.080143
      0.40118     10.08054      0.88338         0.012152     -0.036839      0.103577
      4.80984      8.59530      2.34268        -0.203268      0.176849      0.014865
      4.14944     10.86404      2.83967        -0.116926     -0.004399     -0.129890
     19.92234     19.47585     15.75553         0.037322      0.016496      0.032638
     16.60514     17.88286     12.35875        -0.028179     -0.039376     -0.066261
     17.14515     20.26108     12.50788        -0.077402     -0.002091      0.091681
     20.13479      0.33382     15.99717         0.073057     -0.045003      0.033366
     17.13094      0.87138     12.90713        -0.037735     -0.067047     -0.077570
     17.19897      3.28643     13.21819        -0.000917      0.032852     -0.054142
      2.26376      6.77808     17.91372        -0.056790      0.058236     -0.115469
      1.16328      4.79992     17.22968         0.222404     -0.168776      0.004747
     18.77736      6.96759     16.85242         0.011379      0.008671     -0.004613
      4.45497     10.46386     19.78932        -0.041843     -0.044822      0.011613
     -0.09011     10.75025     18.08603         0.243902      0.137284      0.155909
      0.90243     12.70405     19.06481         0.158639     -0.323979     -0.069203
      0.57399      0.02807     12.87365        -0.027136     -0.051957      0.055980
      3.06340     18.09179     15.84193        -0.058027     -0.104413      0.064884
      3.13762     20.51079     16.30382        -0.002476     -0.081218     -0.101484
      0.88919      2.04002     13.19730        -0.017647      0.012282     -0.053743
      2.92882      1.05627     16.89345         0.088114     -0.098639      0.053291
      3.55867      3.38277     17.21869         0.138831      0.029312      0.013762
     19.86659      9.03965     13.85553         0.053733     -0.124571      0.096892
     20.65916      6.87327     13.59107         0.091013      0.028798      0.027080
      3.28923      8.20730     14.80579         0.046184      0.114734     -0.082439
     17.88585     13.07648     14.14655         0.038760      0.138845      0.052949
      1.30081     12.48812     15.43116        -0.088586      0.054402     -0.192135
      0.38398     14.68046     15.43835         0.043989     -0.174856      0.180758
     17.29322      2.34435      7.94555         0.002579      0.000919      0.028069
     15.38889      1.06605      3.48478         0.038369      0.114610      0.047209
     15.28005      3.38316      4.23715        -0.029317      0.075303      0.041910
     17.09770      4.66975      8.51117        -0.025992     -0.072665     -0.017571
     15.17962      5.06145      4.62534         0.058093     -0.050283     -0.127812
     15.37714      7.47622      4.73047        -0.020031     -0.026641     -0.021661
     20.01088     10.94492     11.17541        -0.025860     -0.018729     -0.091376
     19.00331      9.01223     10.18944         0.013081      0.153051      0.185406
     16.36074     11.55633      8.00647         0.074397     -0.034445     -0.020848
      1.42119     14.57763     12.33906        -0.029004      0.110441     -0.071112
     18.15539     15.04776     10.62113        -0.037869      0.016965      0.115503
     19.25141     16.97038     11.51126         0.023498     -0.062730     -0.173008
     19.09589      4.60093      5.35416        -0.003052     -0.111245      0.011072
     -0.00992      0.99952      8.08870        -0.079697     -0.021574      0.047346
     -0.24270      3.26915      9.02326        -0.091157      0.006532      0.031271
     19.02438      6.35520      5.98151         0.057979      0.061167      0.044151
     -0.46969      5.20277      9.75274        -0.032312     -0.015809      0.116903
     -0.01733      7.56580     10.27240         0.151308     -0.017147      0.003165
     18.32875     13.65204      4.84118        -0.055507     -0.141117      0.089524
     18.68507     11.31189      5.24555        -0.023269      0.117439      0.055729
      0.68303     12.30506      7.86616        -0.022119     -0.039823     -0.089094
     17.59101     18.00976      3.93811         0.059871      0.021835     -0.005888
     20.03404     16.43509      7.87710        -0.021573      0.080601     -0.103581
     19.18240     18.70059      7.86795        -0.038708     -0.194349     -0.003848
     13.95129     19.16794     10.70125         0.010171      0.109783      0.112133
     19.50819      0.00562      3.44611        -0.070543     -0.104934     -0.141351
     12.95685      1.23505      2.66663        -0.090313      0.003421      0.041805
     13.65046     11.41605      4.66515        -0.082333      0.109047     -0.147446
      9.62052      2.57723      2.71057         0.015315     -0.096150     -0.057863
     10.37502     12.83237      5.16711         0.178975     -0.028125      0.135277
     10.36364      5.13390     16.15889         0.046315     -0.273180     -0.427552
     10.89352     15.54147     17.88620        -0.008134      0.104204     -0.170908
      7.11884      6.39255     15.34216         0.163852      0.054357     -0.228245
      7.19930     16.68280     18.03221         0.166129      0.184583      0.086361
      6.76809      8.88373      7.66453         0.010493     -0.149906      0.070693
      7.59355     19.37243      9.25071         0.044803      0.163634      0.034448
      3.44074     10.25360      8.57677         0.016365     -0.044120     -0.127615
      4.06006     20.52002     10.32773         0.094929      0.185940      0.017636
      1.74453     12.11191      1.90951        -0.190149     -0.002890     -0.006786
      1.22744      1.62196      3.35030        -0.081568      0.072530     -0.167279
      3.43250     12.86595     20.22832         0.040557     -0.107543      0.100337
      4.31540      2.04984      1.77374         0.130256     -0.159804      0.198166
     19.11529     15.43035     14.76190         0.107694     -0.112560     -0.077020
     19.92099      4.55373     16.24523        -0.034260      0.099334     -0.120044
      0.52714     17.05675     12.59838        -0.178174     -0.024078      0.048807
      1.90554      5.98192     14.28408         0.000213      0.036513      0.140966
     17.59915     19.80711      5.95570        -0.034453     -0.011538      0.055857
     17.10744      8.91624      8.30608        -0.042273      0.076697     -0.025756
     19.61407      0.64131      4.22850        -0.034437      0.120081      0.125114
     20.35364     10.20927      7.02991         0.050341     -0.167317      0.204976
     12.51162      2.37949      4.69274         0.125042     -0.032114     -0.018996
     13.71295      0.95866      0.44808         0.136679     -0.167195     -0.377451
     13.25096      9.61771      6.14158        -0.013595     -0.133231      0.024671
     14.03959     12.53367      2.60653        -0.054508      0.115369     -0.150334
      9.46851      4.40204      1.22322         0.009430     -0.033749      0.130815
      9.63573      1.41272      4.76279         0.051557      0.054882     -0.014570
     10.18077     11.85887      3.02831         0.020291     -0.056597     -0.053661
     10.23972     12.97850      7.52202        -0.018871      0.250886      0.411622
     10.36067      6.21891     18.24666        -0.040340     -0.077285      1.136745
     10.78666      4.86700     13.84057         0.127030     -0.251788     -0.535627
     10.82213     13.83814     19.50966        -0.019508     -0.070224      0.101066
     11.03299     16.57224     15.77042        -0.058060      0.085288     -0.117986
      6.96065      8.19152     13.83719        -0.003527      0.129485     -0.039234
      7.17147      5.25680     17.41237        -0.090134     -0.265118      0.147245
      6.94027     15.81810     15.86876         0.008328     -0.060059     -0.393445
      7.11218     16.73864     20.38560        -0.091871      0.203038      0.338501
      7.01145     10.03653      9.71529        -0.021282      0.041817      0.028011
      7.01347      8.57560      5.33399        -0.121348      0.090418      0.039398
      7.66265     17.67607     10.89128         0.047503     -0.079960     -0.055026
      7.27221     20.40212      7.15281         0.117636     -0.134828      0.116109
      3.35852     11.97461      6.97790         0.012190      0.051459     -0.220793
      3.86331      9.21406     10.67537        -0.010412     -0.113670      0.102279
      3.61859     19.48048      8.25904         0.053562     -0.106152      0.017634
      4.29733     20.73729     12.66630        -0.025332      0.127788      0.220173
      2.84071     13.11891      3.74358         0.147078      0.151839      0.051929
     -0.06098     11.95466      0.35278         0.326218      0.192959      0.010034
      2.38970      0.15997      4.81399         0.002556     -0.068282      0.024263
      0.10526      2.30408      1.37775         0.091695     -0.043819      0.078592
      2.77765     14.66750     18.87589        -0.328783      0.234961     -0.289467
      4.83428     11.71842      0.49622         0.001323      0.056097      0.014109
      3.18332      1.27349     -0.15237         0.092221     -0.239771     -0.012541
      5.73750      1.93801      3.66697        -0.159296     -0.129000     -0.097541
     -0.64047     16.60054     16.15874         0.051731      0.026622      0.059521
     17.16989     15.08472     13.47187        -0.247074     -0.199630     -0.260931
     -0.11755      2.81540     17.28285        -0.118194      0.026106      0.018421
     18.41291      5.61258     14.77102        -0.137663      0.277314     -0.098327
     20.87391     18.85875     11.39224        -0.203144      0.088818     -0.201532
      1.92886     15.90438     14.11241         0.076642     -0.076789      0.104970
      0.37637      4.95227     12.81372         0.479387     -0.089910      0.421879
      3.62532      6.18610     15.89021         0.320681      0.163919      0.178558
     18.26978     20.70075      8.05243         0.048382     -0.041265      0.213521
     16.28907     19.63205      3.99364        -0.006618     -0.057981     -0.247232
     17.69428      7.26053      9.89092        -0.075394     -0.092436      0.077795
     16.31352      9.85259      6.28710        -0.100933     -0.090194      0.192773
     18.68291      2.54505      3.24760        -0.065616      0.009651      0.013434
     20.70791     20.43528      5.68006         0.047516      0.016547     -0.028976
     18.97031      9.23637      5.37171         0.404852     -0.067407      0.439172
      0.45535     10.30369      8.96318        -0.672336     -0.601475     -0.774514
     14.06873     17.28847      5.61854         0.146172     -0.040058     -0.024499
     16.04942     16.31722      5.71122        -0.006049     -0.048160     -0.068015
     14.75010     16.01772      3.99850        -0.001465      0.006714     -0.001944
     11.70909     15.23351     11.46518        -0.006497      0.237625     -0.053533
     11.44285     14.35960      9.49324         0.043048     -0.041233      0.015036
     13.16893     13.80033     10.76534         0.019184      0.031424     -0.078235
     11.93952     18.04945      7.08417         0.092424      0.126913      0.156109
      9.90236     18.54887      6.39593         0.045011      0.003622     -0.014344
     10.25229     16.87395      7.73443        -0.105281     -0.119614      0.105374
     13.65912     18.53606      0.23656         0.098919     -0.092343      0.019784
     14.24038     17.02824      1.69498        -0.039864     -0.110817      0.024106
     12.25642     16.98296      0.75241        -0.062502      0.003808     -0.074344
     11.41949      0.10698     18.27732         0.118449     -0.065054     -0.059989
     13.10263     -0.66455     19.48445        -0.055144      0.125988     -0.025373
     12.76961     19.90294     17.43889         0.164375     -0.045400      0.039709
      8.15549     19.31803      3.16249         0.034154      0.032502     -0.156444
      7.68011     18.55944      1.17068        -0.057984      0.111753      0.076383
      9.58344     18.04645      2.16341        -0.076846     -0.029615     -0.022945
      7.56616      0.87048     20.06069         0.032057      0.039839      0.286101
      5.96620      1.13072     18.56633         0.138603      0.006199      0.074695
      5.85052     20.82578     20.07050        -0.051236     -0.062056     -0.143284
     10.74994      1.27945     13.54529         0.299061      0.008586     -0.088507
     11.45102     -0.20645     14.99663         0.030821     -0.137661     -0.043631
      9.45760     20.91820     14.06845        -0.108900     -0.259666     -0.171475
      9.00508      3.75275      9.54476        -0.022910     -0.054257      0.071310
     10.42167      2.97735     11.04395        -0.135186     -0.000543      0.026878
     10.32643      2.10257      9.04672        -0.066543     -0.042434      0.134542
      6.07152      1.97753     16.19237        -0.125574      0.031780     -0.140220
      5.14263      1.20417     14.38332         0.106632      0.141446      0.008755
      7.10842      0.51559     15.00293         0.112437     -0.091799     -0.189264
      4.36366      5.11293     11.95248         0.116245     -0.063048     -0.124883
      2.72213      3.71021     11.63398        -0.098370      0.172839     -0.112468
      4.35328      3.22717     12.99854         0.082368      0.038662      0.168541
      7.36940      4.59979      5.48249        -0.071132      0.121536     -0.126059
      7.62272      3.00564      6.92333         0.017718      0.102471     -0.008316
      5.61423      3.51299      6.11904         0.031756     -0.096565     -0.023285
     -0.57247      7.25341      4.68704         0.003383     -0.058612      0.009182
      0.72364      7.19426      2.98533        -0.000899      0.054002      0.176199
     -1.10077      5.94118      3.04022         0.069473      0.050102      0.079023
      2.93763      5.85151      9.91109        -0.238575     -0.068764     -0.023507
      1.61957      4.60330      8.73433         0.045890     -0.062638     -0.226544
      3.73434      4.79586      8.18733        -0.326080      0.163275      0.104882
      6.18192      6.82191      3.51807         0.102309     -0.092737     -0.132405
      4.29102      7.61706      4.27982        -0.167784      0.113820      0.001363
      4.90900      5.65427      4.88870         0.086280      0.136035     -0.042505
     -0.30997      8.44121     21.07437        -0.101980     -0.041058     -0.047965
      1.30739      7.15285     -0.87900        -0.031390      0.056645     -0.009175
      0.04834      6.54101      0.77547         0.292981     -0.054242     -0.130524
     19.47770      9.59913     19.26010        -0.029819      0.010304     -0.035222
     19.52184     10.24999     17.16263        -0.046392     -0.007155     -0.008046
     18.11176      8.72294     17.80693         0.085674     -0.025512      0.068331
      4.81901      8.47563     20.01841         0.158580     -0.185440     -0.060627
      3.62081      6.91669     19.17178        -0.103171     -0.105577      0.057302
      4.62377      8.30844     17.82849        -0.081247     -0.027732     -0.063680
      3.09543     11.71965     14.17853        -0.008955     -0.018320      0.072818
      2.64225     11.31369     16.28393         0.225519     -0.006166      0.105961
      4.11081     10.10343     15.21834        -0.077547      0.090264     -0.003230
     17.19814     11.26685     13.59652        -0.080583     -0.040552      0.081391
     18.66681      9.93525     12.75717        -0.153446     -0.026422      0.030281
     18.10527      9.75835     14.87832         0.002924     -0.028348     -0.044388
     16.26916     14.24463      9.80413         0.071413      0.088262     -0.107821
     17.96331     14.86712      8.52182         0.011712     -0.008211      0.044555
     16.39435     13.66063      7.68540        -0.019317     -0.023695     -0.029701
      1.88986     12.67672     12.20441        -0.060357     -0.044410     -0.291315
      0.46904     11.16539     11.69018         0.116070      0.082889     -0.026318
      1.41924     12.34006     10.09391         0.003268      0.122688      0.053175
      1.18281     15.83945      6.60621        -0.100912      0.022661     -0.044361
      0.36094     15.52524      8.62562         0.037448     -0.002171      0.070874
      1.89463     14.20927      7.86527         0.064666     -0.085047     -0.146114
     18.09171     16.47581      2.43484         0.153574      0.075058     -0.007845
     19.50489     14.91202      3.01355        -0.045964     -0.018457      0.076537
     17.36791     14.77212      3.56516         0.157364      0.121942     -0.037770
 -----------------------------------------------------------------------------------
    total drift:                                0.007175     -0.001182     -0.021117


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4578.6361766732 eV

  energy  without entropy=    -4578.7902359769  energy(sigma->0) =    -4578.68752977
 
 d Force = 0.5123765E+00[ 0.263E+00, 0.762E+00]  d Energy = 0.5121455E+00 0.231E-03
 d Force = 0.7162501E+03[ 0.716E+03, 0.717E+03]  d Ewald  = 0.7162549E+03-0.480E-02


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.512146  1 .order   -0.512376   -0.761543   -0.263210
  (g-gl).g = 0.295E+01      g.g   = 0.297E+01  gl.gl    = 0.272E+01
 g(Force)  = 0.297E+01   g(Stress)= 0.000E+00 ortho     =-0.240E-02
 gamma     =   1.08598
 trial     =   0.25673
 opt step  =   0.39233  (harmonic =   0.39233) maximal distance =0.06986698
 next E    = -4578.705919   (d E  =  -0.58189)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   85(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3160
 total energy-change (2. order) : 0.2635920E+00  (-0.1624277E+02)
 number of electron    2497.9999947 magnetization 
 augmentation part      162.7183242 magnetization 

  free energy =  -0.457837257725E+04  energy without entropy=  -0.457852569510E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   85(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3512
 total energy-change (2. order) :-0.3384090E+00  (-0.4050260E+00)
 number of electron    2497.9999948 magnetization 
 augmentation part      162.7318157 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8757
  0.8757

  free energy =  -0.457871098626E+04  energy without entropy=  -0.457886425172E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   85(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3712
 total energy-change (2. order) : 0.9217260E-02  (-0.7548989E-02)
 number of electron    2497.9999948 magnetization 
 augmentation part      162.7162895 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4454
  1.0534  1.8374

  free energy =  -0.457870176900E+04  energy without entropy=  -0.457885502512E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   85(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) :-0.2974897E-02  (-0.6227109E-02)
 number of electron    2497.9999948 magnetization 
 augmentation part      162.7038894 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2940
  2.2094  0.8363  0.8363

  free energy =  -0.457870474390E+04  energy without entropy=  -0.457885813354E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   85(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3744
 total energy-change (2. order) :-0.1925019E-03  (-0.1228703E-02)
 number of electron    2497.9999948 magnetization 
 augmentation part      162.7077315 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3418
  2.4141  1.0296  1.0296  0.8941

  free energy =  -0.457870493640E+04  energy without entropy=  -0.457885825433E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   85(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3520
 total energy-change (2. order) : 0.3933265E-03  (-0.6498486E-03)
 number of electron    2497.9999948 magnetization 
 augmentation part      162.7087368 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2549
  2.4030  1.0471  1.0471  0.8886  0.8886

  free energy =  -0.457870454308E+04  energy without entropy=  -0.457885791480E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   85(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) :-0.1023174E-04  (-0.1038219E-03)
 number of electron    2497.9999948 magnetization 
 augmentation part      162.7094835 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2463
  2.4036  0.9974  0.9974  1.1976  1.1976  0.6840

  free energy =  -0.457870455331E+04  energy without entropy=  -0.457885783620E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   85(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) : 0.2117819E-04  (-0.1926669E-04)
 number of electron    2497.9999948 magnetization 
 augmentation part      162.7103585 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2358
  2.4781  1.0551  1.0551  1.2908  1.2908  0.8433  0.6378

  free energy =  -0.457870453213E+04  energy without entropy=  -0.457885786446E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   85(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3448
 total energy-change (2. order) :-0.1338555E-04  (-0.8905388E-05)
 number of electron    2497.9999948 magnetization 
 augmentation part      162.7098986 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2302
  2.5190  1.6478  1.0281  1.0281  1.1207  0.9375  0.9375  0.6228

  free energy =  -0.457870454551E+04  energy without entropy=  -0.457885782386E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   85(  10)  ---------------------------------------



 eigenvalue-minimisations  :  2248
 total energy-change (2. order) :-0.5128764E-05  (-0.1261935E-05)
 number of electron    2497.9999948 magnetization 
 augmentation part      162.7098986 magnetization 

  free energy =  -0.457870455064E+04  energy without entropy=  -0.457885785209E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0301       2 -56.1173       3 -56.0006       4 -55.8329       5 -55.8435
       6 -56.2836       7 -58.1242       8 -58.2314       9 -56.2581      10 -55.9230
      11 -56.0164      12 -55.8153      13 -55.7812      14 -55.9489      15 -58.0725
      16 -58.0892      17 -56.3402      18 -54.9897      19 -54.8924      20 -55.0563
      21 -55.6299      22 -55.5686      23 -55.5825      24 -55.6110      25 -55.0197
      26 -54.7768      27 -54.9283      28 -54.9303      29 -60.4001      30 -60.3670
      31 -55.7192      32 -55.8292      33 -55.7243      34 -55.4639      35 -55.5439
      36 -56.0252      37 -57.8119      38 -57.9538      39 -56.1222      40 -55.8438
      41 -55.9635      42 -55.7024      43 -55.7470      44 -55.9243      45 -58.1105
      46 -58.1522      47 -56.4785      48 -55.1384      49 -54.9612      50 -55.3085
      51 -55.8936      52 -55.8342      53 -55.7560      54 -55.7354      55 -55.0570
      56 -54.8570      57 -54.9692      58 -56.3722      59 -60.3404      60 -60.6353
      61 -55.9221      62 -56.0062      63 -55.8816      64 -55.7570      65 -55.7185
      66 -56.1672      67 -58.0291      68 -58.1258      69 -56.1796      70 -55.8782
      71 -55.9744      72 -55.6959      73 -55.6811      74 -55.9024      75 -58.0377
      76 -58.0568      77 -56.3170      78 -55.0806      79 -54.9145      80 -55.2084
      81 -55.7888      82 -55.7962      83 -55.8777      84 -55.8919      85 -55.2852
      86 -55.0233      87 -55.2036      88 -56.3921      89 -60.6651      90 -60.3838
      91 -55.7585      92 -55.8752      93 -55.7776      94 -55.5491      95 -55.6129
      96 -56.1118      97 -57.9105      98 -57.9991      99 -56.2126     100 -55.9112
     101 -56.0486     102 -55.7167     103 -55.7755     104 -55.9901     105 -58.1294
     106 -58.1543     107 -56.4212     108 -55.1706     109 -54.9699     110 -55.3903
     111 -55.8854     112 -55.8315     113 -55.7111     114 -55.6699     115 -55.0080
     116 -54.7972     117 -54.9412     118 -56.2478     119 -60.4100     120 -60.5894
     121 -55.9851     122 -56.0071     123 -55.8836     124 -55.7935     125 -55.8037
     126 -56.2211     127 -58.1026     128 -58.1814     129 -56.1918     130 -55.8227
     131 -55.9265     132 -55.7376     133 -55.6688     134 -55.8399     135 -57.9246
     136 -58.0369     137 -56.3569     138 -55.0711     139 -54.9391     140 -55.3493
     141 -55.8701     142 -55.7934     143 -55.8442     144 -55.8388     145 -55.1707
     146 -55.0865     147 -55.2328     148 -56.3593     149 -60.4965     150 -60.5309
     151 -55.6522     152 -55.7522     153 -55.6001     154 -55.4406     155 -55.4774
     156 -55.9254     157 -57.8958     158 -57.9177     159 -55.9951     160 -55.7449
     161 -55.9119     162 -55.5444     163 -55.5548     164 -55.7768     165 -57.9466
     166 -58.0853     167 -56.3509     168 -55.0322     169 -54.8361     170 -55.1887
     171 -55.8278     172 -55.8621     173 -55.8722     174 -55.7906     175 -55.2729
     176 -55.0388     177 -55.1218     178 -56.5049     179 -60.4608     180 -60.5631
     181 -55.8319     182 -56.0732     183 -55.9304     184 -55.6115     185 -55.6432
     186 -56.1974     187 -57.8849     188 -58.1800     189 -56.2378     190 -55.8589
     191 -56.0303     192 -55.7317     193 -55.7091     194 -55.9164     195 -57.9933
     196 -58.1498     197 -56.5124     198 -55.0563     199 -54.9458     200 -55.2997
     201 -55.8181     202 -55.8275     203 -55.8854     204 -55.8366     205 -55.1023
     206 -55.1950     207 -55.1825     208 -56.4605     209 -60.6553     210 -60.4792
     211 -55.9905     212 -56.0309     213 -55.9198     214 -55.8396     215 -55.7943
     216 -56.2888     217 -58.1385     218 -58.1298     219 -56.1575     220 -55.8231
     221 -55.9462     222 -55.5841     223 -55.5280     224 -55.8172     225 -57.9336
     226 -58.1055     227 -56.4376     228 -54.9938     229 -54.9007     230 -55.1901
     231 -55.7217     232 -55.7193     233 -55.6700     234 -55.6828     235 -54.9938
     236 -55.0868     237 -55.1873     238 -56.4159     239 -60.3177     240 -60.3972
     241 -55.9839     242 -56.0391     243 -55.9289     244 -55.7765     245 -55.7827
     246 -56.2285     247 -58.0971     248 -58.1445     249 -56.2154     250 -55.8839
     251 -55.9933     252 -55.7597     253 -55.7602     254 -55.9395     255 -58.0258
     256 -58.0563     257 -56.3388     258 -55.0607     259 -54.9087     260 -55.2488
     261 -55.7853     262 -55.7576     263 -55.8224     264 -55.8608     265 -55.2169
     266 -54.9580     267 -55.1876     268 -56.3525     269 -60.5844     270 -60.3861
     271 -55.8675     272 -55.9376     273 -55.8012     274 -55.6737     275 -55.6329
     276 -56.0394     277 -58.0603     278 -58.0694     279 -55.9318     280 -55.6680
     281 -55.7818     282 -55.5037     283 -55.5208     284 -55.7880     285 -58.0167
     286 -57.9508     287 -56.3515     288 -55.0409     289 -54.8930     290 -55.2214
     291 -55.8309     292 -55.7945     293 -55.8557     294 -55.8507     295 -55.2184
     296 -54.9973     297 -55.0513     298 -56.4207     299 -60.5252     300 -60.5506
     301 -55.8740     302 -56.0277     303 -55.9388     304 -55.6557     305 -55.6958
     306 -56.2106     307 -58.0301     308 -58.2306     309 -56.2537     310 -55.9335
     311 -56.0247     312 -55.7183     313 -55.7083     314 -55.8994     315 -57.9605
     316 -58.1160     317 -56.4000     318 -55.0297     319 -54.8732     320 -55.2808
     321 -55.7801     322 -55.7432     323 -55.8536     324 -55.8634     325 -55.1832
     326 -55.0945     327 -55.2261     328 -56.3994     329 -60.5489     330 -60.4607
     331 -55.7181     332 -55.7521     333 -55.6367     334 -55.5664     335 -55.5517
     336 -55.9712     337 -57.9062     338 -57.8896     339 -55.8788     340 -55.6172
     341 -55.7367     342 -55.4608     343 -55.4749     344 -55.7346     345 -57.9025
     346 -57.9279     347 -56.4403     348 -54.9817     349 -54.9583     350 -55.2803
     351 -55.7622     352 -55.7074     353 -55.7039     354 -55.7231     355 -55.1638
     356 -54.9648     357 -55.0176     358 -56.4098     359 -60.4668     360 -60.4978
     361 -39.0749     362 -38.8121     363 -38.9310     364 -39.0376     365 -38.9488
     366 -38.7808     367 -38.0629     368 -38.1064     369 -37.9585     370 -38.1464
     371 -38.1724     372 -38.2092     373 -38.7038     374 -38.3476     375 -38.6947
     376 -38.8209     377 -38.8684     378 -38.8010     379 -38.1511     380 -38.1344
     381 -38.2766     382 -38.0320     383 -38.2453     384 -37.9297     385 -38.9480
     386 -38.7720     387 -38.9201     388 -38.9369     389 -38.9106     390 -38.6126
     391 -38.2293     392 -38.3172     393 -38.2217     394 -38.1894     395 -38.1437
     396 -38.3145     397 -38.7935     398 -38.4986     399 -38.7983     400 -38.9096
     401 -38.8377     402 -38.7938     403 -38.1968     404 -38.1975     405 -38.4591
     406 -38.0923     407 -38.0848     408 -37.8580     409 -38.8189     410 -38.7998
     411 -38.9935     412 -38.7953     413 -38.9891     414 -38.6953     415 -38.2422
     416 -38.2840     417 -38.2982     418 -38.1879     419 -38.1964     420 -38.3482
     421 -38.6581     422 -38.4008     423 -38.6044     424 -38.7359     425 -38.5937
     426 -38.5974     427 -38.2004     428 -38.0440     429 -38.2983     430 -38.1846
     431 -38.0679     432 -37.9864     433 -38.8098     434 -38.6466     435 -38.8648
     436 -38.7166     437 -38.9400     438 -38.6319     439 -38.3006     440 -38.0292
     441 -38.1456     442 -38.0453     443 -38.2562     444 -38.0617     445 -38.9065
     446 -38.8406     447 -38.9741     448 -38.8064     449 -38.8487     450 -38.4113
     451 -38.0387     452 -37.9552     453 -38.0840     454 -37.9007     455 -38.1367
     456 -38.1426     457 -38.9482     458 -38.7613     459 -38.9130     460 -38.9296
     461 -38.9483     462 -38.7557     463 -38.1437     464 -38.3883     465 -38.2727
     466 -38.3110     467 -38.0878     468 -38.1300     469 -38.8768     470 -38.7041
     471 -38.7470     472 -38.7858     473 -38.6560     474 -38.5503     475 -38.3026
     476 -38.0827     477 -38.1815     478 -38.1406     479 -38.1449     480 -37.9962
     481 -38.8898     482 -38.7334     483 -38.9194     484 -38.9023     485 -38.9846
     486 -38.7669     487 -38.1164     488 -38.1511     489 -38.2378     490 -38.2343
     491 -38.2458     492 -38.3782     493 -38.7964     494 -38.5143     495 -38.6321
     496 -38.7212     497 -38.5264     498 -38.4670     499 -38.1361     500 -37.8918
     501 -38.1882     502 -38.1115     503 -38.0545     504 -37.9653     505 -38.2531
     506 -41.2067     507 -71.7020     508 -71.6086     509 -71.3757     510 -71.6040
     511 -71.3961     512 -71.5195     513 -71.4061     514 -71.4927     515 -71.6367
     516 -71.4983     517 -71.4535     518 -71.4287     519 -71.4599     520 -71.5961
     521 -71.5355     522 -71.4808     523 -71.5975     524 -71.4752     525 -71.5486
     526 -71.4501     527 -71.6323     528 -71.5521     529 -71.1870     530 -71.5749
     531 -76.8757     532 -76.8009     533 -76.7128     534 -76.7571     535 -76.5647
     536 -76.4299     537 -76.7934     538 -76.8448     539 -76.8485     540 -76.8330
     541 -76.6816     542 -76.7089     543 -76.6358     544 -76.6338     545 -76.8245
     546 -76.8568     547 -76.8164     548 -76.7397     549 -76.6613     550 -76.5417
     551 -76.5518     552 -76.5776     553 -76.7663     554 -76.6990     555 -76.7516
     556 -76.5388     557 -76.7544     558 -76.6229     559 -76.7737     560 -76.8316
     561 -76.7066     562 -76.5532     563 -76.7628     564 -76.7843     565 -76.6913
     566 -76.7118     567 -76.7153     568 -76.7576     569 -76.5887     570 -76.7302
     571 -76.8808     572 -76.7334     573 -76.7510     574 -76.5940     575 -76.4918
     576 -76.5381     577 -76.5469     578 -76.4599     579 -82.2844     580 -82.3192
     581 -82.2573     582 -82.3448     583 -82.2867     584 -82.2755     585 -82.5128
     586 -82.5228     587 -82.6064     588 -82.1628     589 -82.1217     590 -82.3210
     591 -82.3184     592 -82.2053     593 -82.3088     594 -82.5825     595 -82.5995
     596 -82.5346     597 -82.5367     598 -82.4476     599 -82.5263     600 -82.2977
     601 -82.2838     602 -82.3892     603 -82.4039     604 -82.3623     605 -82.4423
     606 -82.2800     607 -82.2788     608 -82.5031     609 -82.6097     610 -82.2820
     611 -82.4512     612 -82.4308     613 -82.3245     614 -82.2696     615 -82.5023
     616 -82.4948     617 -82.4099     618 -82.5768     619 -82.7281     620 -82.5414
     621 -82.2294     622 -82.4441     623 -82.1833     624 -82.2016     625 -82.3758
     626 -82.0563     627 -82.2259     628 -82.2431     629 -82.2902     630 -82.3055
     631 -82.6258     632 -82.3495     633 -82.4436     634 -82.4781     635 -82.4984
     636 -82.3632     637 -82.4745     638 -82.3080     639 -82.3409     640 -82.4004
     641 -82.4036     642 -82.3471     643 -82.5117     644 -82.4101     645 -82.3934
     646 -82.3407     647 -82.4931     648 -82.3580     649 -82.3976     650 -82.2591
 
 
 
 E-fermi :  -1.4707     XC(G=0):  -6.5343     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -28.9914      2.00000
      2     -28.9104      2.00000
      3     -28.9033      2.00000
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     10     -28.7662      2.00000
     11     -28.7280      2.00000
     12     -28.7220      2.00000
     13     -28.7154      2.00000
     14     -28.7033      2.00000
     15     -28.6976      2.00000
     16     -28.6537      2.00000
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     18     -28.6378      2.00000
     19     -28.6156      2.00000
     20     -28.5866      2.00000
     21     -28.5789      2.00000
     22     -28.5766      2.00000
     23     -28.5455      2.00000
     24     -28.5409      2.00000
     25     -26.7424      2.00000
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     27     -26.6362      2.00000
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     29     -26.6078      2.00000
     30     -26.5860      2.00000
     31     -26.5733      2.00000
     32     -26.5724      2.00000
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     48     -26.4112      2.00000
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     68     -26.2511      2.00000
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     73     -23.3267      2.00000
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    121     -20.5061      2.00000
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   1083      -4.1977      2.00000
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   1085      -4.1863      2.00000
   1086      -4.1720      2.00000
   1087      -4.1314      2.00000
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   1095      -3.9907      2.00000
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   1120      -3.3880      2.00000
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   1126      -3.2494      2.00000
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   1129      -3.2081      2.00000
   1130      -3.1570      2.00000
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   1134      -3.1102      2.00000
   1135      -3.1066      2.00000
   1136      -3.0944      2.00000
   1137      -3.0896      2.00000
   1138      -3.0586      2.00000
   1139      -3.0446      2.00000
   1140      -3.0433      2.00000
   1141      -3.0290      2.00000
   1142      -3.0251      2.00000
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   1144      -3.0099      2.00000
   1145      -3.0017      2.00000
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   1153      -2.9496      2.00000
   1154      -2.9426      2.00000
   1155      -2.9395      2.00000
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   1157      -2.9138      2.00000
   1158      -2.9079      2.00000
   1159      -2.9045      2.00000
   1160      -2.9015      2.00000
   1161      -2.8958      2.00000
   1162      -2.8792      2.00000
   1163      -2.8699      2.00000
   1164      -2.8669      2.00000
   1165      -2.8542      2.00000
   1166      -2.8391      2.00000
   1167      -2.8256      2.00000
   1168      -2.8077      2.00000
   1169      -2.7819      2.00000
   1170      -2.7773      2.00000
   1171      -2.7668      2.00000
   1172      -2.7432      2.00000
   1173      -2.7136      2.00000
   1174      -2.7112      2.00000
   1175      -2.6975      2.00000
   1176      -2.6715      2.00000
   1177      -2.6544      2.00000
   1178      -2.6418      2.00000
   1179      -2.6342      2.00000
   1180      -2.6305      2.00000
   1181      -2.6204      2.00000
   1182      -2.6101      2.00000
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   1184      -2.5921      2.00000
   1185      -2.5825      2.00000
   1186      -2.5790      2.00000
   1187      -2.5568      2.00000
   1188      -2.5520      2.00000
   1189      -2.5444      2.00000
   1190      -2.5367      2.00000
   1191      -2.5317      2.00000
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   1193      -2.5246      2.00000
   1194      -2.5114      2.00000
   1195      -2.5082      2.00000
   1196      -2.4928      2.00000
   1197      -2.4922      2.00000
   1198      -2.4854      2.00000
   1199      -2.4825      2.00000
   1200      -2.4784      2.00000
   1201      -2.4612      2.00000
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   1204      -2.4370      2.00000
   1205      -2.4329      2.00000
   1206      -2.4314      2.00000
   1207      -2.4280      2.00000
   1208      -2.4243      2.00000
   1209      -2.4211      2.00000
   1210      -2.4073      2.00000
   1211      -2.4057      2.00000
   1212      -2.4042      2.00000
   1213      -2.3982      2.00000
   1214      -2.3950      2.00000
   1215      -2.3896      2.00000
   1216      -2.3828      2.00000
   1217      -2.3798      2.00000
   1218      -2.3770      2.00000
   1219      -2.3745      2.00000
   1220      -2.3701      2.00000
   1221      -2.3623      2.00000
   1222      -2.3590      2.00000
   1223      -2.3540      2.00000
   1224      -2.3287      2.00000
   1225      -2.3222      2.00000
   1226      -2.3072      2.00000
   1227      -2.2889      2.00000
   1228      -2.2738      2.00000
   1229      -2.2682      2.00000
   1230      -2.2612      2.00000
   1231      -2.2586      2.00000
   1232      -2.2432      2.00000
   1233      -2.2324      2.00000
   1234      -2.2215      2.00000
   1235      -2.2204      2.00000
   1236      -2.2100      2.00000
   1237      -2.1907      2.00000
   1238      -1.7837      2.04936
   1239      -1.7573      2.06101
   1240      -1.7364      2.06804
   1241      -1.7229      2.07052
   1242      -1.7138      2.07089
   1243      -1.6948      2.06707
   1244      -1.6442      2.01083
   1245      -1.6366      1.99452
   1246      -1.6198      1.94960
   1247      -1.6146      1.93319
   1248      -1.6063      1.90422
   1249      -1.5865      1.82073
   1250       0.1384     -0.00000
   1251       0.1723     -0.00000
   1252       0.1924     -0.00000
   1253       0.2204     -0.00000
   1254       0.2324     -0.00000
   1255       0.2778     -0.00000
   1256       0.2805     -0.00000
   1257       0.2964     -0.00000
   1258       0.3254     -0.00000
   1259       0.3430     -0.00000
   1260       0.3685     -0.00000
   1261       0.4256     -0.00000
   1262       0.6041     -0.00000
   1263       0.6319     -0.00000
   1264       0.6690     -0.00000
   1265       0.6879     -0.00000
   1266       0.6936     -0.00000
   1267       0.7308     -0.00000
   1268       0.7563     -0.00000
   1269       0.7666     -0.00000
   1270       0.7770     -0.00000
   1271       0.8260     -0.00000
   1272       0.8519     -0.00000
   1273       0.8600     -0.00000
   1274       0.8690     -0.00000
   1275       0.9015     -0.00000
   1276       0.9179     -0.00000
   1277       0.9280     -0.00000
   1278       0.9551     -0.00000
   1279       0.9883     -0.00000
   1280       1.0100     -0.00000
   1281       1.0159     -0.00000
   1282       1.0589     -0.00000
   1283       1.1104     -0.00000
   1284       1.1256     -0.00000
   1285       1.2192     -0.00000
   1286       1.2581     -0.00000
   1287       1.2736     -0.00000
   1288       1.3252     -0.00000
   1289       1.3997     -0.00000
   1290       1.4154     -0.00000
   1291       1.4587     -0.00000
   1292       1.5094     -0.00000
   1293       1.5261     -0.00000
   1294       1.5738     -0.00000
   1295       1.6125     -0.00000
   1296       1.6195     -0.00000
   1297       1.6796     -0.00000
   1298       1.8268     -0.00000
   1299       1.8707     -0.00000
   1300       1.8776     -0.00000
   1301       1.9089     -0.00000
   1302       1.9286     -0.00000
   1303       1.9480     -0.00000
   1304       1.9995     -0.00000
   1305       2.0124     -0.00000
   1306       2.0286     -0.00000
   1307       2.0421     -0.00000
   1308       2.0620     -0.00000
   1309       2.1192     -0.00000
   1310       2.1323     -0.00000
   1311       2.1439     -0.00000
   1312       2.1547     -0.00000
   1313       2.1711     -0.00000
   1314       2.1960     -0.00000
   1315       2.2142     -0.00000
   1316       2.2242     -0.00000
   1317       2.2394     -0.00000
   1318       2.2487     -0.00000
   1319       2.2637     -0.00000
   1320       2.2804     -0.00000
   1321       2.3406     -0.00000
   1322       2.4327     -0.00000
   1323       2.4423     -0.00000
   1324       2.4449     -0.00000
   1325       2.4668     -0.00000
   1326       2.4921     -0.00000
   1327       2.5154     -0.00000
   1328       2.5267     -0.00000
   1329       2.5334     -0.00000
   1330       2.5429     -0.00000
   1331       2.5566     -0.00000
   1332       2.5689     -0.00000
   1333       2.5813     -0.00000
   1334       2.5930     -0.00000
   1335       2.6082     -0.00000
   1336       2.6275     -0.00000
   1337       2.6307     -0.00000
   1338       2.6397     -0.00000
   1339       2.6681     -0.00000
   1340       2.6711     -0.00000
   1341       2.6873     -0.00000
   1342       2.6967     -0.00000
   1343       2.7246     -0.00000
   1344       2.7820     -0.00000
   1345       2.7840     -0.00000
   1346       2.9638     -0.00000
   1347       2.9823     -0.00000
   1348       3.0275     -0.00000
   1349       3.0385     -0.00000
   1350       3.0440     -0.00000
   1351       3.0579     -0.00000
   1352       3.0601     -0.00000
   1353       3.0840     -0.00000
   1354       3.1038     -0.00000
   1355       3.1235     -0.00000
   1356       3.1519     -0.00000
   1357       3.1598     -0.00000
   1358       3.1640     -0.00000
   1359       3.1785     -0.00000
   1360       3.2127     -0.00000
   1361       3.2465     -0.00000
   1362       3.2908     -0.00000
   1363       3.4192     -0.00000
   1364       3.5188     -0.00000
   1365       3.5365     -0.00000
   1366       3.5912     -0.00000
   1367       3.6438     -0.00000
   1368       3.6912     -0.00000
   1369       3.7065     -0.00000
   1370       3.7561     -0.00000
   1371       3.7805     -0.00000
   1372       3.8027     -0.00000
   1373       3.8451     -0.00000
   1374       3.8543      0.00000
   1375       3.8712      0.00000
   1376       3.8858      0.00000
   1377       3.9088      0.00000
   1378       3.9207      0.00000
   1379       3.9259      0.00000
   1380       3.9465      0.00000
   1381       3.9543      0.00000
   1382       3.9707      0.00000
   1383       3.9741      0.00000
   1384       4.0023      0.00000
   1385       4.0051      0.00000
   1386       4.0178      0.00000
   1387       4.0289      0.00000
   1388       4.0356      0.00000
   1389       4.0441      0.00000
   1390       4.0582      0.00000
   1391       4.0620      0.00000
   1392       4.0853      0.00000
   1393       4.0894      0.00000
   1394       4.1008      0.00000
   1395       4.1066      0.00000
   1396       4.1224      0.00000
   1397       4.1526      0.00000
   1398       4.1594      0.00000
   1399       4.1618      0.00000
   1400       4.1875      0.00000
   1401       4.1939      0.00000
   1402       4.2022      0.00000
   1403       4.2237      0.00000
   1404       4.2316      0.00000
   1405       4.2424      0.00000
   1406       4.2546      0.00000
   1407       4.2778      0.00000
   1408       4.2997      0.00000
   1409       4.3091      0.00000
   1410       4.3243      0.00000
   1411       4.3336      0.00000
   1412       4.3509      0.00000
   1413       4.3550      0.00000
   1414       4.3703      0.00000
   1415       4.3855      0.00000
   1416       4.3934      0.00000
   1417       4.4135      0.00000
   1418       4.4211      0.00000
   1419       4.4308      0.00000
   1420       4.4406      0.00000
   1421       4.4472      0.00000
   1422       4.4611      0.00000
   1423       4.4842      0.00000
   1424       4.4991      0.00000
   1425       4.5197      0.00000
   1426       4.5264      0.00000
   1427       4.5362      0.00000
   1428       4.5611      0.00000
   1429       4.5875      0.00000
   1430       4.6130      0.00000
   1431       4.6328      0.00000
   1432       4.6420      0.00000
   1433       4.6732      0.00000
   1434       4.7093      0.00000
   1435       4.7272      0.00000
   1436       4.7714      0.00000
   1437       4.7775      0.00000
   1438       4.7908      0.00000
   1439       4.8239      0.00000
   1440       4.8350      0.00000
   1441       4.8598      0.00000
   1442       4.8731      0.00000
   1443       4.9100      0.00000
   1444       4.9163      0.00000
   1445       4.9270      0.00000
   1446       4.9411      0.00000
   1447       4.9531      0.00000
   1448       4.9769      0.00000
   1449       5.0027      0.00000
   1450       5.0082      0.00000
   1451       5.0388      0.00000
   1452       5.0484      0.00000
   1453       5.0601      0.00000
   1454       5.0800      0.00000
   1455       5.0835      0.00000
   1456       5.1049      0.00000
   1457       5.1314      0.00000
   1458       5.1450      0.00000
   1459       5.1536      0.00000
   1460       5.1802      0.00000
   1461       5.1876      0.00000
   1462       5.2027      0.00000
   1463       5.2311      0.00000
   1464       5.2356      0.00000
   1465       5.2447      0.00000
   1466       5.2584      0.00000
   1467       5.2663      0.00000
   1468       5.2706      0.00000
   1469       5.2956      0.00000
   1470       5.2987      0.00000
   1471       5.3134      0.00000
   1472       5.3176      0.00000
   1473       5.3291      0.00000
   1474       5.3369      0.00000
   1475       5.3449      0.00000
   1476       5.3510      0.00000
   1477       5.3683      0.00000
   1478       5.3765      0.00000
   1479       5.3817      0.00000
   1480       5.3938      0.00000
   1481       5.4083      0.00000
   1482       5.4122      0.00000
   1483       5.4166      0.00000
   1484       5.4277      0.00000
   1485       5.4393      0.00000
   1486       5.4442      0.00000
   1487       5.4637      0.00000
   1488       5.4702      0.00000
   1489       5.4765      0.00000
   1490       5.4918      0.00000
   1491       5.4949      0.00000
   1492       5.4997      0.00000
   1493       5.5092      0.00000
   1494       5.5117      0.00000
   1495       5.5195      0.00000
   1496       5.5286      0.00000
   1497       5.5385      0.00000
   1498       5.5464      0.00000
   1499       5.5588      0.00000
   1500       5.5654      0.00000
   1501       5.5674      0.00000
   1502       5.5763      0.00000
   1503       5.5877      0.00000
   1504       5.6009      0.00000
   1505       5.6040      0.00000
   1506       5.6189      0.00000
   1507       5.6240      0.00000
   1508       5.6292      0.00000
   1509       5.6322      0.00000
   1510       5.6474      0.00000
   1511       5.6565      0.00000
   1512       5.6718      0.00000
   1513       5.6759      0.00000
   1514       5.6872      0.00000
   1515       5.7067      0.00000
   1516       5.7223      0.00000
   1517       5.7236      0.00000
   1518       5.7285      0.00000
   1519       5.7308      0.00000
   1520       5.7391      0.00000
   1521       5.7483      0.00000
   1522       5.7631      0.00000
   1523       5.7653      0.00000
   1524       5.7783      0.00000
   1525       5.7916      0.00000
   1526       5.7995      0.00000
   1527       5.8137      0.00000
   1528       5.8278      0.00000
   1529       5.8351      0.00000
   1530       5.8401      0.00000
   1531       5.8512      0.00000
   1532       5.8575      0.00000
   1533       5.8721      0.00000
   1534       5.8746      0.00000
   1535       5.8871      0.00000
   1536       5.8997      0.00000
   1537       5.9027      0.00000
   1538       5.9042      0.00000
   1539       5.9239      0.00000
   1540       5.9306      0.00000
   1541       5.9496      0.00000
   1542       5.9597      0.00000
   1543       5.9693      0.00000
   1544       5.9807      0.00000
   1545       5.9851      0.00000
   1546       5.9901      0.00000
   1547       5.9957      0.00000
   1548       6.0069      0.00000
   1549       6.0237      0.00000
   1550       6.0329      0.00000
   1551       6.0352      0.00000
   1552       6.0403      0.00000
   1553       6.0508      0.00000
   1554       6.0625      0.00000
   1555       6.0732      0.00000
   1556       6.0788      0.00000
   1557       6.0855      0.00000
   1558       6.1000      0.00000
   1559       6.1068      0.00000
   1560       6.1111      0.00000
   1561       6.1181      0.00000
   1562       6.1310      0.00000
   1563       6.1392      0.00000
   1564       6.1452      0.00000
   1565       6.1541      0.00000
   1566       6.1626      0.00000
   1567       6.1801      0.00000
   1568       6.1905      0.00000
   1569       6.1967      0.00000
   1570       6.2044      0.00000
   1571       6.2222      0.00000
   1572       6.2227      0.00000
   1573       6.2308      0.00000
   1574       6.2376      0.00000
   1575       6.2461      0.00000
   1576       6.2635      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.087  13.411  -0.001   0.001  -0.000   0.002  -0.004   0.001
 13.411  17.830  -0.001   0.002  -0.000   0.003  -0.006   0.001
 -0.001  -0.001  -4.232   0.003   0.000   8.278  -0.004  -0.001
  0.001   0.002   0.003  -4.232   0.001  -0.004   8.278  -0.001
 -0.000  -0.000   0.000   0.001  -4.225  -0.001  -0.001   8.269
  0.002   0.003   8.278  -0.004  -0.001 -18.322   0.007   0.001
 -0.004  -0.006  -0.004   8.278  -0.001   0.007 -18.318   0.000
  0.001   0.001  -0.001  -0.001   8.269   0.001   0.000 -18.312
 total augmentation occupancy for first ion, spin component:           1
  8.434  -3.796   0.169   0.134  -0.062   0.021   0.025  -0.010
 -3.796   1.782  -0.088  -0.093   0.038  -0.009  -0.015   0.006
  0.169  -0.088   1.780  -0.060  -0.034   0.168  -0.012  -0.006
  0.134  -0.093  -0.060   1.891  -0.098  -0.011   0.176  -0.013
 -0.062   0.038  -0.034  -0.098   1.226  -0.006  -0.013   0.081
  0.021  -0.009   0.168  -0.011  -0.006   0.018  -0.002  -0.001
  0.025  -0.015  -0.012   0.176  -0.013  -0.002   0.018  -0.002
 -0.010   0.006  -0.006  -0.013   0.081  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -48786.86775 83174.64313 18536.99297 -9207.39884  6139.14551 17569.96109
  Hartree  6987.01267110109.15377 56360.13010 -9648.73044  4085.73827 11794.26987
  E(xc)  -10736.61393-10588.60508-10630.93197     2.70108     8.42291    33.84456
  Local    8370.64493************************ 18855.25967-10238.14496-28745.85495
  n-local -5843.31706 -5984.34854 -6040.31680     6.45383    16.08449   -67.44482
  augment  1492.73224  1535.48298  1487.14166     4.38048    12.52565    -4.26529
  Kinetic 45479.43891 43265.22655 43676.04362   -37.13248   -72.60333  -588.24464
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -129.1112640   -384.0695327   -144.6218118    -24.4666986    -48.8314556     -7.7341831
  in kB      -21.5303367    -64.0466688    -24.1168447     -4.0800178     -8.1430361     -1.2897369
  external PRESSURE =     -36.5646168 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.217E+03 -.105E+03 0.236E+03   0.217E+03 0.105E+03 -.237E+03   -.268E+00 -.394E+00 0.153E+01   0.110E-02 0.172E-02 -.683E-03
   -.174E+03 -.130E+03 0.552E+02   0.174E+03 0.131E+03 -.550E+02   0.187E+00 -.135E+01 -.334E+00   0.105E-02 0.176E-02 0.183E-04
   -.140E+03 -.119E+03 0.510E+01   0.140E+03 0.120E+03 -.348E+01   0.344E+00 -.135E+01 -.163E+01   0.971E-03 0.875E-03 0.131E-03
   -.202E+03 -.902E+02 0.324E+03   0.202E+03 0.902E+02 -.327E+03   -.241E+00 -.161E-01 0.255E+01   0.111E-02 0.107E-02 -.986E-03
   -.154E+03 -.143E+03 0.290E+03   0.154E+03 0.143E+03 -.291E+03   0.618E-01 -.802E+00 0.111E+01   0.100E-02 0.652E-03 -.760E-03
   -.128E+03 -.108E+03 0.168E+03   0.128E+03 0.108E+03 -.169E+03   0.178E+00 -.175E+00 0.119E+00   0.877E-03 0.312E-03 -.157E-03
   -.216E+03 -.129E+03 0.163E+03   0.215E+03 0.134E+03 -.163E+03   0.503E+00 -.435E+01 0.953E+00   0.147E-02 0.183E-02 -.137E-02
   -.169E+03 -.101E+03 0.303E+02   0.170E+03 0.105E+03 -.322E+02   -.412E+00 -.411E+01 0.213E+01   0.119E-02 0.258E-02 0.155E-03
   -.899E+02 0.342E+01 0.196E+03   0.898E+02 -.339E+01 -.197E+03   0.730E-01 -.893E-01 0.191E+00   0.926E-03 -.465E-03 -.219E-03
   -.712E+02 0.890E+02 0.596E+02   0.708E+02 -.907E+02 -.585E+02   0.483E+00 0.171E+01 -.113E+01   0.989E-03 -.758E-03 -.106E-03
   -.740E+02 0.102E+03 0.127E+03   0.738E+02 -.103E+03 -.127E+03   0.275E+00 0.133E+01 0.126E+00   0.107E-02 -.111E-02 -.592E-04
   -.901E+02 -.571E+01 0.326E+03   0.902E+02 0.541E+01 -.327E+03   -.134E+00 0.204E+00 0.130E+01   0.101E-02 -.860E-03 -.545E-03
   -.965E+02 -.490E+02 0.353E+03   0.967E+02 0.500E+02 -.355E+03   -.184E+00 -.115E+01 0.227E+01   0.129E-02 -.138E-02 -.287E-03
   -.957E+02 0.158E+02 0.292E+03   0.958E+02 -.160E+02 -.294E+03   -.102E+00 -.241E-01 0.148E+01   0.126E-02 -.141E-02 -.121E-03
   -.865E+02 0.944E+02 0.256E+03   0.858E+02 -.983E+02 -.258E+03   0.825E+00 0.388E+01 0.251E+01   0.133E-02 -.192E-02 0.157E-03
   -.670E+02 0.113E+03 0.945E+02   0.668E+02 -.116E+03 -.975E+02   0.245E+00 0.305E+01 0.362E+01   0.998E-03 -.141E-02 0.205E-03
   -.559E+02 0.933E+02 0.424E+02   0.565E+02 -.886E+02 -.380E+02   -.578E+00 -.454E+01 -.446E+01   0.152E-02 -.820E-03 0.583E-03
   0.119E+02 0.197E+03 -.155E+03   -.124E+02 -.199E+03 0.157E+03   0.684E+00 0.194E+01 -.218E+01   0.114E-02 -.397E-03 0.101E-02
   0.376E+02 0.152E+03 -.199E+03   -.379E+02 -.152E+03 0.201E+03   0.293E+00 0.273E+00 -.174E+01   0.116E-02 -.211E-03 0.142E-02
   -.597E+02 0.937E+02 0.174E+03   0.608E+02 -.928E+02 -.178E+03   -.114E+01 -.931E+00 0.328E+01   0.195E-02 -.455E-03 0.951E-03
   0.895E+01 0.579E+02 0.484E+01   -.101E+02 -.594E+02 -.361E+01   0.114E+01 0.141E+01 -.134E+01   0.218E-02 -.157E-03 0.105E-02
   0.268E+02 0.106E+02 -.121E+03   -.268E+02 -.109E+02 0.122E+03   0.642E-01 0.163E+00 -.905E+00   0.157E-02 -.142E-03 0.134E-02
   -.632E+01 -.410E+02 -.165E+03   0.678E+01 0.410E+02 0.165E+03   -.419E+00 -.381E+00 0.423E+00   0.137E-02 -.556E-03 0.119E-02
   -.213E+02 -.803E+02 -.222E+03   0.224E+02 0.820E+02 0.221E+03   -.112E+01 -.184E+01 0.108E+01   0.958E-03 -.753E-03 0.136E-02
   -.611E+00 -.163E+03 -.324E+03   0.312E-01 0.164E+03 0.326E+03   0.587E+00 -.763E+00 -.171E+01   0.902E-03 -.781E-03 0.158E-02
   -.893E+02 -.160E+03 -.148E+03   0.907E+02 0.160E+03 0.147E+03   -.129E+01 -.606E-01 0.156E+01   0.184E-02 -.676E-03 0.771E-03
   -.840E+02 -.271E+03 -.179E+03   0.846E+02 0.272E+03 0.179E+03   -.471E+00 -.808E+00 0.453E+00   0.155E-02 -.699E-03 0.750E-03
   -.303E+02 -.262E+03 -.274E+03   0.302E+02 0.263E+03 0.274E+03   -.306E-01 -.122E+01 -.364E+00   0.111E-02 -.648E-03 0.142E-02
   -.420E+02 -.285E+02 -.211E+03   0.478E+02 0.364E+02 0.206E+03   -.599E+01 -.800E+01 0.479E+01   0.621E-03 -.601E-03 0.110E-02
   -.201E+01 0.483E+02 0.186E+02   -.267E+01 -.568E+02 -.136E+02   0.441E+01 0.850E+01 -.505E+01   0.286E-02 -.535E-03 0.183E-02
   -.167E+03 -.179E+02 -.526E+02   0.167E+03 0.181E+02 0.542E+02   -.172E+00 -.829E-01 -.167E+01   0.605E-03 0.135E-02 -.206E-03
   -.106E+03 -.138E+03 0.133E+03   0.106E+03 0.139E+03 -.133E+03   0.135E+00 -.140E+01 -.290E+00   0.524E-03 0.113E-02 -.233E-03
   -.114E+03 -.153E+03 0.191E+03   0.113E+03 0.154E+03 -.192E+03   0.461E+00 -.172E+01 0.108E+01   0.405E-03 0.470E-03 -.270E-03
   -.266E+03 0.174E+02 -.181E+03   0.266E+03 -.188E+02 0.183E+03   -.227E+00 0.141E+01 -.237E+01   0.120E-02 0.132E-02 -.128E-04
   -.266E+03 -.548E+02 -.187E+03   0.267E+03 0.550E+02 0.188E+03   -.227E+00 -.702E-01 -.117E+01   0.121E-02 0.497E-03 -.335E-04
   -.179E+03 -.704E+02 0.759E+01   0.179E+03 0.702E+02 -.749E+01   0.351E+00 0.964E-01 0.101E-01   0.538E-03 0.117E-03 -.243E-03
   -.853E+02 -.499E+02 -.262E+02   0.860E+02 0.533E+02 0.290E+02   -.870E+00 -.408E+01 -.257E+01   0.250E-03 0.177E-02 -.434E-03
   -.585E+02 -.134E+03 0.104E+03   0.584E+02 0.137E+03 -.100E+03   -.533E-01 -.313E+01 -.371E+01   0.510E-03 0.136E-02 -.185E-03
   -.154E+03 0.491E+02 0.143E+02   0.154E+03 -.493E+02 -.144E+02   0.853E-01 0.318E+00 0.974E-02   0.248E-03 -.409E-03 -.291E-03
   -.753E+02 0.510E+02 0.217E+03   0.751E+02 -.523E+02 -.219E+03   0.283E+00 0.119E+01 0.174E+01   0.837E-04 -.845E-03 -.988E-04
   -.492E+02 0.706E+02 0.135E+03   0.491E+02 -.720E+02 -.135E+03   0.223E+00 0.152E+01 0.298E+00   -.249E-03 -.107E-02 0.320E-03
   -.192E+03 0.974E+02 -.210E+03   0.192E+03 -.982E+02 0.211E+03   -.335E-01 0.894E+00 -.891E+00   0.391E-03 -.246E-03 0.163E-04
   -.164E+03 0.528E+02 -.282E+03   0.164E+03 -.529E+02 0.284E+03   -.305E+00 0.173E+00 -.229E+01   -.849E-06 0.104E-04 0.398E-03
   -.913E+02 0.554E+02 -.128E+03   0.915E+02 -.561E+02 0.129E+03   -.192E+00 0.637E+00 -.132E+01   -.466E-03 -.620E-03 0.788E-03
   -.464E+02 0.984E+02 -.594E+02   0.465E+02 -.104E+03 0.589E+02   -.152E+00 0.452E+01 -.442E+00   -.872E-03 -.851E-03 0.153E-02
   -.124E+02 0.778E+02 0.144E+03   0.121E+02 -.822E+02 -.142E+03   0.250E+00 0.453E+01 -.195E+01   -.381E-03 -.156E-02 0.217E-03
   0.285E+02 0.399E+02 0.109E+03   -.268E+02 -.342E+02 -.110E+03   -.174E+01 -.554E+01 0.190E+01   -.675E-03 -.780E-03 0.107E-02
   -.178E+02 0.127E+03 0.265E+03   0.188E+02 -.128E+03 -.268E+03   -.102E+01 0.103E+01 0.243E+01   0.166E-03 -.592E-03 -.221E-03
   -.314E+02 0.116E+03 0.222E+03   0.324E+02 -.116E+03 -.224E+03   -.868E+00 -.485E+00 0.206E+01   -.889E-04 -.938E-03 -.354E-03
   0.596E+02 0.630E+02 -.297E+02   -.610E+02 -.633E+02 0.325E+02   0.147E+01 0.212E+00 -.275E+01   -.132E-02 0.522E-04 0.249E-02
   0.130E+02 0.227E+02 0.393E+02   -.124E+02 -.238E+02 -.413E+02   -.462E+00 0.110E+01 0.184E+01   -.109E-02 -.413E-03 0.226E-02
   -.159E+02 0.608E+01 0.814E+02   0.164E+02 -.591E+01 -.823E+02   -.436E+00 -.265E+00 0.736E+00   -.288E-03 -.470E-03 0.646E-03
   -.707E+02 -.163E+01 0.300E+02   0.707E+02 0.163E+01 -.295E+02   0.100E+00 0.111E+00 -.619E+00   0.394E-03 -.404E-03 0.849E-05
   -.132E+03 -.117E+02 0.698E+02   0.131E+03 0.125E+02 -.681E+02   0.816E+00 -.916E+00 -.148E+01   0.115E-02 0.148E-03 -.128E-02
   -.216E+03 -.661E+02 0.136E+03   0.217E+03 0.664E+02 -.139E+03   -.163E+01 -.856E-01 0.319E+01   0.140E-02 0.186E-03 -.144E-02
   -.670E+02 -.103E+03 -.114E+03   0.663E+02 0.102E+03 0.116E+03   0.788E+00 0.425E+00 -.173E+01   0.357E-03 0.848E-03 0.125E-02
   -.967E+02 -.104E+03 -.163E+03   0.958E+02 0.105E+03 0.166E+03   0.766E+00 -.120E+01 -.293E+01   0.741E-03 0.109E-02 0.113E-02
   -.159E+03 -.391E+02 0.128E+02   0.158E+03 0.328E+02 -.108E+02   0.140E+01 0.597E+01 -.206E+01   0.126E-02 0.168E-02 -.174E-03
   -.163E+03 0.176E+02 0.118E+03   0.160E+03 -.115E+02 -.110E+03   0.376E+01 -.596E+01 -.803E+01   0.106E-02 0.442E-03 -.328E-03
   -.397E+02 -.799E+01 -.248E+02   0.410E+02 0.144E+01 0.159E+02   -.139E+01 0.639E+01 0.886E+01   -.950E-03 -.822E-03 0.165E-02
   -.331E+03 -.725E+02 0.818E+02   0.332E+03 0.731E+02 -.829E+02   -.260E+00 -.484E+00 0.121E+01   0.235E-02 -.534E-03 -.156E-03
   -.327E+03 -.100E+03 -.824E+02   0.327E+03 0.101E+03 0.828E+02   0.649E-01 -.116E+01 -.663E+00   0.189E-02 -.224E-03 0.333E-03
   -.294E+03 -.869E+02 -.135E+03   0.295E+03 0.878E+02 0.136E+03   -.596E-01 -.129E+01 -.166E+01   0.134E-02 -.498E-03 0.475E-03
   -.275E+03 -.564E+02 0.174E+03   0.275E+03 0.564E+02 -.176E+03   -.118E+00 -.343E-01 0.228E+01   0.211E-02 -.924E-03 -.518E-04
   -.226E+03 -.102E+03 0.132E+03   0.226E+03 0.103E+03 -.133E+03   0.177E+00 -.877E+00 0.915E+00   0.148E-02 -.219E-03 0.180E-03
   -.247E+03 -.708E+02 0.352E+00   0.247E+03 0.709E+02 -.421E+00   0.159E-02 -.920E-01 -.151E+00   0.105E-02 -.291E-03 0.166E-03
   -.348E+03 -.112E+03 0.943E+01   0.348E+03 0.117E+03 -.839E+01   -.661E-01 -.433E+01 0.521E+00   0.328E-02 -.133E-03 -.457E-03
   -.330E+03 -.971E+02 -.401E+02   0.330E+03 0.101E+03 0.366E+02   -.609E+00 -.406E+01 0.191E+01   0.225E-02 0.299E-03 0.833E-03
   -.210E+03 0.408E+02 0.181E+02   0.210E+03 -.410E+02 -.182E+02   -.376E-01 -.100E+00 0.380E-02   0.979E-03 -.849E-04 -.261E-03
   -.237E+03 0.117E+03 -.867E+02   0.237E+03 -.118E+03 0.880E+02   0.627E-01 0.177E+01 -.127E+01   0.935E-03 -.289E-03 -.730E-03
   -.230E+03 0.124E+03 -.688E+01   0.229E+03 -.125E+03 0.675E+01   0.955E-01 0.150E+01 0.147E+00   0.986E-03 -.311E-04 -.104E-02
   -.152E+03 0.400E+02 0.132E+03   0.152E+03 -.404E+02 -.133E+03   -.304E-01 0.437E+00 0.125E+01   0.123E-02 0.262E-03 -.370E-03
   -.146E+03 -.164E+02 0.142E+03   0.146E+03 0.174E+02 -.145E+03   0.142E-01 -.899E+00 0.255E+01   0.153E-02 0.265E-03 -.573E-03
   -.198E+03 0.318E+02 0.119E+03   0.198E+03 -.322E+02 -.120E+03   -.671E-01 0.193E+00 0.159E+01   0.147E-02 0.124E-03 -.809E-03
   -.215E+03 0.980E+02 0.116E+03   0.214E+03 -.102E+03 -.118E+03   0.437E+00 0.406E+01 0.224E+01   0.159E-02 -.356E-03 -.889E-03
   -.245E+03 0.145E+03 0.570E+02   0.245E+03 -.148E+03 -.598E+02   0.458E-01 0.343E+01 0.339E+01   0.579E-03 0.328E-04 -.136E-02
   -.233E+03 0.106E+03 0.838E+02   0.232E+03 -.101E+03 -.800E+02   0.677E+00 -.485E+01 -.376E+01   0.351E-03 0.415E-04 -.111E-02
   -.117E+03 0.196E+03 0.625E+01   0.116E+03 -.197E+03 -.484E+01   0.124E+01 0.122E+01 -.141E+01   -.579E-03 0.345E-03 -.604E-03
   -.683E+02 0.116E+03 0.349E+02   0.670E+02 -.116E+03 -.332E+02   0.120E+01 0.944E-02 -.175E+01   -.997E-03 0.126E-03 -.348E-03
   -.293E+03 0.100E+03 0.181E+03   0.295E+03 -.100E+03 -.183E+03   -.192E+01 -.354E+00 0.207E+01   0.684E-03 -.157E-03 -.121E-02
   -.191E+03 0.546E+02 0.103E+03   0.189E+03 -.558E+02 -.102E+03   0.114E+01 0.131E+01 -.910E+00   0.283E-03 -.516E-04 -.867E-03
   -.125E+03 -.376E+01 0.804E+02   0.125E+03 0.357E+01 -.800E+02   0.435E+00 0.757E-01 -.480E+00   -.459E-03 0.394E-04 -.473E-03
   -.114E+03 -.782E+01 0.105E+03   0.114E+03 0.804E+01 -.106E+03   -.583E+00 -.166E+00 0.770E+00   -.552E-03 0.836E-04 -.493E-03
   -.594E+02 -.421E+02 0.611E+02   0.606E+02 0.440E+02 -.623E+02   -.126E+01 -.163E+01 0.134E+01   -.128E-02 -.304E-03 -.534E-03
   0.136E+02 -.565E+02 -.293E+02   -.154E+02 0.561E+02 0.317E+02   0.187E+01 0.316E+00 -.224E+01   -.870E-03 0.129E-03 -.764E-03
   -.165E+03 -.127E+03 0.156E+03   0.166E+03 0.128E+03 -.158E+03   -.810E+00 -.257E+00 0.204E+01   0.187E-03 0.520E-03 -.477E-03
   -.137E+03 -.189E+03 0.176E+03   0.138E+03 0.190E+03 -.178E+03   -.117E+01 -.124E+01 0.125E+01   0.356E-03 0.808E-03 -.405E-03
   -.340E+02 -.804E+02 0.875E+02   0.344E+02 0.760E+02 -.915E+02   -.399E+00 0.427E+01 0.392E+01   -.164E-03 0.842E-03 -.435E-03
   -.426E+02 -.304E+02 0.450E+02   0.476E+02 0.393E+02 -.496E+02   -.477E+01 -.883E+01 0.488E+01   -.208E-02 -.657E-03 -.107E-02
   -.234E+03 0.386E+02 0.972E+02   0.228E+03 -.463E+02 -.932E+02   0.625E+01 0.777E+01 -.395E+01   0.168E-02 0.230E-03 -.907E-03
   -.179E+03 -.228E+02 -.116E+03   0.179E+03 0.231E+02 0.117E+03   0.758E-01 -.135E+00 -.155E+01   0.222E-03 0.375E-03 0.163E-03
   -.151E+03 -.138E+03 0.481E+02   0.151E+03 0.139E+03 -.480E+02   0.325E+00 -.143E+01 -.266E+00   -.146E-03 0.367E-03 0.255E-03
   -.149E+03 -.168E+03 0.101E+03   0.148E+03 0.170E+03 -.102E+03   0.420E+00 -.162E+01 0.123E+01   -.329E-03 0.212E-03 0.991E-04
   -.243E+03 0.277E+02 -.205E+03   0.244E+03 -.289E+02 0.207E+03   -.369E+00 0.130E+01 -.240E+01   0.713E-03 0.411E-04 0.788E-04
   -.257E+03 -.462E+02 -.171E+03   0.257E+03 0.465E+02 0.172E+03   -.141E+00 -.179E+00 -.107E+01   0.250E-03 -.166E-03 -.196E-03
   -.179E+03 -.891E+02 -.142E+02   0.178E+03 0.890E+02 0.141E+02   0.205E+00 0.147E+00 0.137E+00   -.354E-03 0.727E-04 -.206E-03
   -.118E+03 -.718E+02 -.955E+02   0.118E+03 0.761E+02 0.977E+02   -.560E+00 -.398E+01 -.227E+01   0.116E-03 0.894E-03 0.170E-04
   -.135E+03 -.130E+03 -.292E-01   0.135E+03 0.133E+03 0.357E+01   0.132E+00 -.322E+01 -.368E+01   -.299E-03 0.378E-03 0.707E-05
   -.136E+03 0.309E+02 0.330E+02   0.136E+03 -.313E+02 -.330E+02   0.151E-01 0.207E+00 0.719E-01   -.698E-03 -.216E-04 -.436E-03
   -.629E+02 0.259E+02 0.174E+03   0.627E+02 -.269E+02 -.176E+03   0.203E+00 0.111E+01 0.174E+01   -.644E-03 -.655E-04 -.187E-03
   -.241E+02 0.609E+02 0.135E+03   0.241E+02 -.622E+02 -.135E+03   0.371E-01 0.141E+01 0.490E+00   -.728E-03 -.193E-03 -.455E-04
   -.181E+03 0.106E+03 -.936E+02   0.182E+03 -.107E+03 0.945E+02   -.222E+00 0.102E+01 -.106E+01   -.101E-02 0.247E-04 -.533E-03
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 -----------------------------------------------------------------------------------------------
   0.366E+02 0.775E+01 -.174E+02   -.171E-10 0.335E-11 0.392E-11   -.366E+02 -.777E+01 0.174E+02   -.300E-01 0.230E-01 0.193E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.21948      3.15171      1.34093        -0.082188      0.291581      0.123000
     12.97373      3.60212      2.63865        -0.030247     -0.124338     -0.110082
     12.90091      4.96461      2.95047        -0.022781     -0.170344     -0.012539
     13.28107      4.06524      0.29188         0.053834     -0.027871      0.145656
     13.16541      5.42792      0.59076         0.052043      0.029277      0.101151
     13.03744      5.92784      1.91762         0.084273      0.023968     -0.193767
     13.32860      1.66936      1.35111        -0.046457      0.376483      0.261287
     12.77523      2.39070      3.49770         0.112986      0.002242      0.278647
     13.10840      7.40756      2.20060         0.006231     -0.061196     -0.100383
     13.09562      7.91566      3.52492         0.111001      0.012352     -0.026870
     13.31122      9.27490      3.73691         0.023502      0.169205      0.069809
     13.27708      8.35323      1.14941        -0.008699     -0.097942      0.130182
     13.48399      9.71930      1.37796         0.045294     -0.197744      0.031556
     13.52001     10.16746      2.69190        -0.046214     -0.210242     -0.089975
     13.76708     11.52118      3.23682         0.103558      0.022134      0.216002
     13.38892     10.05140      5.00898         0.003413     -0.247529      0.662151
     13.74729     12.50193      5.59672        -0.005761      0.221478     -0.074273
     13.48108     12.35270      6.96433         0.132519      0.000103     -0.058900
     13.56661     13.44826      7.82037        -0.047375      0.096131      0.258686
     14.09953     13.79472      5.16876         0.001731     -0.022737     -0.081611
     14.17371     14.89222      6.04662        -0.021694     -0.132003     -0.104045
     13.87182     14.77281      7.44310         0.002644     -0.092859      0.055783
     13.91820     15.89600      8.47283         0.044622     -0.388718     -0.201081
     13.20554     15.97209      9.71508        -0.071753     -0.136231      0.096155
     13.26307     17.13355     10.49936         0.007759      0.040807      0.046577
     14.74909     16.99757      8.21209         0.058378      0.018506      0.023093
     14.75717     18.16858      8.95614         0.093549      0.033605      0.200092
     13.98793     18.25372     10.10586        -0.090224     -0.025747      0.054130
     12.38733     14.85765     10.33372        -0.213237     -0.067933      0.095656
     14.73370     16.12037      5.35420        -0.263111     -0.047603     -0.077133
      9.89033      3.83739      4.66640         0.041256      0.183290     -0.094631
      9.70499      4.76090      3.63825         0.022685     -0.087288     -0.043525
      9.71106      6.14627      3.88161         0.015686     -0.029728     -0.083147
     10.19673      4.27625      5.94960         0.073206     -0.019788      0.130535
     10.28773      5.65024      6.17991        -0.003857      0.151972     -0.082833
     10.00641      6.63211      5.18489         0.066013     -0.091628      0.107217
      9.71504      2.46075      4.13483        -0.113536     -0.704025      0.236017
      9.56953      3.97207      2.36105        -0.102759      0.142818     -0.476123
     10.05366      8.09855      5.55604         0.012761      0.082405     -0.055767
     10.05623      9.15403      4.60236         0.046988     -0.091344     -0.097212
     10.15226     10.47928      5.03415         0.084444      0.171233     -0.030744
     10.10434      8.49309      6.92109         0.032062      0.028039     -0.167824
     10.19021      9.82507      7.34827        -0.125396     -0.006977     -0.196230
     10.21665     10.82837      6.38192         0.054327     -0.071840     -0.009915
     10.29121     12.31845      6.50617        -0.083200     -0.751027     -0.874830
     10.23830     11.74469      4.23960        -0.123482      0.090408     -0.367295
     10.68794     14.19374      4.81337        -0.023381      0.177891      0.083958
     11.23635     14.53316      3.57353         0.008588     -0.063248     -0.090425
     11.60207     15.84994      3.28928         0.117432      0.026326      0.009310
     10.54144     15.26463      5.71848         0.114641     -0.072720      0.070318
     10.95736     16.58468      5.44688         0.098794      0.015862     -0.221144
     11.53946     16.95563      4.16769         0.057537     -0.103718     -0.101643
     12.06901     18.32182      3.70355         0.054497      0.118609     -0.085269
     12.69869     18.71026      2.44317        -0.177884     -0.080633      0.231483
     12.99134     20.05634      2.16926        -0.037621      0.116450      0.071619
     11.93428     19.43033      4.56685         0.041388      0.022790     -0.043740
     12.22835     20.76617      4.29599        -0.089295      0.088923      0.020297
     12.73601     21.12827      3.04786        -0.025810     -0.251237     -0.030382
     13.20332     17.81329      1.30529         0.173467      0.139653     -0.021728
     10.76931     17.50681      6.64407        -0.015922     -0.155941     -0.048005
     10.67443      7.06527     14.86190        -0.058005      0.110441      0.124429
     10.60806      7.49770     16.19035         0.000989      0.057326     -0.231410
     10.62107      8.86755     16.51404        -0.051433     -0.417322     -0.019311
     10.67311      7.99052     13.82054        -0.029485     -0.029055      0.099980
     10.62850      9.34886     14.14775         0.125760     -0.120218      0.037357
     10.64790      9.83725     15.48142         0.013786      0.096383     -0.219380
     10.63192      5.57396     14.80971        -0.201172      0.983623      1.561552
     10.43984      6.26752     17.05417         0.136990      0.019602     -1.585987
     10.68728     11.33090     15.72434        -0.040569     -0.284186     -0.066130
     10.75295     11.91221     17.01662         0.073644      0.209916     -0.020069
     10.81428     13.30503     17.12648         0.006344      0.195293      0.021554
     10.67996     12.21645     14.61533         0.009346      0.054454      0.111106
     10.77705     13.60324     14.73451         0.089014      0.112739      0.058803
     10.84685     14.14601     16.01146        -0.010501     -0.153899      0.111269
     10.93703     15.56364     16.45930         0.083854     -0.048629      0.078758
     10.84169     14.18147     18.34062         0.092287     -0.145017      0.563089
     10.80181     16.70881     18.71940         0.127963      0.054961      0.021734
     10.05459     16.70906     19.88856        -0.004919      0.054833      0.002069
      9.87401     17.88487     20.61829        -0.075490      0.137465      0.029904
     11.41757     17.92657     18.39060        -0.044842     -0.102795     -0.074262
     11.27721     19.10065     19.15442        -0.269668      0.081551      0.228350
     10.42756     19.15403     20.34418         0.070836     -0.113185     -0.091990
     10.08872     20.33969      0.03467        -0.021449      0.056941     -0.061908
      9.35555     20.29549      1.28870        -0.013118      0.198981      0.122424
      9.17026      0.18857      2.09439         0.015241     -0.063142      0.139064
     10.48841      0.40692     20.98984         0.153834     -0.083560     -0.009715
     10.34609      1.53646      0.55319        -0.116033      0.001971     -0.105534
      9.69075      1.45822      1.78633         0.028561     -0.115411     -0.026760
      8.69944     19.07104      1.91811         0.215508      0.129264      0.315495
     12.14132     20.22395     18.60599         0.007173      0.070415      0.027543
      7.32194      7.66412     17.28751         0.137240      0.222952     -0.073574
      7.10614      8.58596     16.26329         0.110648     -0.129473     -0.145496
      7.05932      9.96456     16.51743         0.063854      0.035450      0.139806
      7.63223      8.09460     18.56976        -0.048834      0.076406     -0.045008
      7.65698      9.47081     18.80998         0.026770      0.072966     -0.012194
      7.32488     10.45049     17.83220        -0.014107      0.029540      0.072594
      7.21545      6.28501     16.75684        -0.115802      0.279870     -0.122718
      7.03971      7.78876     14.98018        -0.148039     -0.040875     -0.136726
      7.28064     11.92118     18.23665         0.018401     -0.146073      0.078514
      7.09279     13.00151     17.33158         0.003407      0.088880     -0.063450
      7.11264     14.32271     17.80191         0.027042      0.153572      0.028128
      7.44623     12.27912     19.60558        -0.020501     -0.043867     -0.226563
      7.42100     13.59494     20.07669        -0.100618      0.064222     -0.120378
      7.24821     14.63058     19.15886        -0.034294     -0.119555     -0.115392
      7.18935     16.11858     19.34314        -0.054699     -0.703519     -1.081110
      7.06345     15.63114     17.05522        -0.000733      0.077149      0.204286
      7.52062     18.07036     17.72627        -0.164699      0.103075     -0.017559
      8.38207     18.41669     16.68208         0.007805     -0.016341      0.095794
      8.79266     19.74238     16.50706         0.207432     -0.124275     -0.042489
      7.03700     19.15500     18.48101         0.165250     -0.064186      0.040820
      7.43679     20.49992     18.27802         0.159501     -0.064053     -0.141777
      8.41453     20.86769     17.26784        -0.080360     -0.112289     -0.049215
      9.02663      0.98762     16.92630         0.181899      0.171885      0.025933
      9.84091      1.37427     15.78140        -0.133541      0.027059      0.034869
     10.28701      2.69839     15.61282         0.002034      0.028409      0.135653
      8.82258      2.08989     17.78890         0.020495     -0.014657     -0.037022
      9.24947      3.41351     17.60585         0.078774     -0.088717      0.225592
     10.00568      3.76060     16.48606        -0.070728      0.269451      0.023737
     10.37108      0.52251     14.61662        -0.323372      0.282321      0.316408
      6.72130      0.20106     19.20812        -0.196392     -0.092305      0.164525
      6.88340     10.80637      6.30209        -0.049233      0.202668      0.102847
      6.88280     11.27027      7.61564         0.000798     -0.060270      0.007284
      6.92519     12.64156      7.92956         0.038817     -0.128231      0.053639
      6.94151     11.73242      5.25838        -0.052641     -0.026789      0.086558
      6.98493     13.10010      5.56876        -0.002929     -0.030060      0.175591
      6.97737     13.61975      6.89701         0.003520      0.048261     -0.120863
      6.87923      9.31077      6.30676         0.022803     -0.190429     -0.254723
      6.88501     10.05715      8.50769         0.049483     -0.013411      0.350233
      7.05257     15.13148      7.13517         0.017681     -0.068602     -0.055689
      7.16136     15.73642      8.42132         0.046164      0.015172     -0.080477
      7.26377     17.13433      8.53787         0.063796      0.021407     -0.046461
      7.07978     16.03136      6.02845         0.012293     -0.064974      0.145893
      7.18413     17.42071      6.15225        -0.105967     -0.032287      0.059847
      7.24166     17.97366      7.42571        -0.020926     -0.280204     -0.051958
      7.37337     19.39341      7.84991        -0.072568      0.460069     -0.375887
      7.52281     18.01138      9.72815         0.044608     -0.230199      0.585843
      7.74415     20.52977     10.09673         0.184171      0.136761     -0.056806
      7.24246     20.51420     11.39149        -0.050560     -0.148004      0.008568
      7.23161      0.40572     12.16931        -0.076192      0.126958      0.138768
      8.40821      0.45702      9.72061        -0.002050     -0.094185     -0.005770
      8.53815      1.57558     10.58035        -0.278218     -0.062984      0.198468
      7.81876      1.64199     11.85114         0.066644     -0.048721     -0.116466
      7.58530      2.82363     12.81333         0.262795      0.296696     -0.524874
      6.96266      2.81112     14.11087        -0.216896      0.095063      0.388694
      6.76759      4.01682     14.83010        -0.084542     -0.359036      0.032331
      7.94764      4.14242     12.40124         0.076145     -0.306398     -0.011394
      7.84895      5.30833     13.17071        -0.188932      0.035083      0.181270
      7.23132      5.27081     14.43159         0.127187     -0.007361     -0.054809
      6.33795      1.62950     14.89308        -0.071693      0.463084      0.119395
      9.55741      2.58620     10.07641         0.136300      0.141939     -0.009402
      4.29327     11.56803     10.32580         0.077502      0.154329      0.058516
      4.08439     12.43827      9.26238        -0.061825     -0.091246     -0.121921
      4.26770     13.81934      9.39574        -0.035778     -0.027573      0.085187
      4.75813     12.05212     11.54731        -0.094508      0.145960     -0.069962
      4.82985     13.43841     11.72365        -0.088357      0.038319     -0.179942
      4.55416     14.36315     10.67637         0.009151     -0.037229      0.079411
      3.86742     10.19963      9.94418         0.034314     -0.024417     -0.035733
      3.59446     11.61124      8.10533        -0.012329      0.028834     -0.266483
      4.51563     15.84625     10.95467        -0.005295     -0.112782      0.004422
      4.07585     16.78427      9.98020        -0.033201      0.065412     -0.089680
      4.05625     18.14995     10.28921         0.058198      0.038512     -0.109244
      4.89554     16.35065     12.22802        -0.008145     -0.066837     -0.124761
      4.78657     17.70026     12.56175        -0.069097     -0.099672     -0.140712
      4.36687     18.58213     11.57472        -0.014156      0.032584      0.203813
      4.25150     20.05492     11.65961        -0.141840     -0.608924     -0.674654
      3.85657     19.38708      9.44024         0.165282      0.037472      0.659566
      4.37702      0.61177      9.95497         0.025187     -0.005048      0.158287
      4.94233      0.97075      8.73422         0.027052      0.059015     -0.144479
      5.48164      2.24420      8.57550         0.213877      0.170034     -0.093085
      4.25552      1.66317     10.86949         0.072740     -0.072735     -0.052301
      4.72369      2.98598     10.65947         0.071437      0.016080     -0.113962
      5.47779      3.34227      9.47608         0.019569     -0.016646      0.067603
      6.10998      4.70604      9.03773        -0.058170     -0.002866     -0.159979
      6.57773      5.05125      7.70559        -0.201752     -0.157129      0.177329
      6.81975      6.38012      7.29633         0.001065      0.203030     -0.040170
      6.14383      5.84425      9.88481        -0.047193     -0.232278      0.078441
      6.34709      7.17266      9.47397         0.026096      0.230027      0.046708
      6.65013      7.50282      8.13961         0.002000     -0.178136      0.027102
      6.79195      4.04956      6.57908         0.031005      0.232516     -0.091842
      4.08701      3.79177     11.78325         0.032166      0.257287     -0.233465
      0.77427     14.07155      1.07478        -0.061237      0.106622     -0.103697
      1.49960     14.51285      2.17863        -0.001935     -0.107380     -0.092265
      1.53892     15.89784      2.47721        -0.118430      0.048362     -0.085126
      0.18640     14.94370      0.17034         0.145197     -0.052411      0.196950
      0.32969     16.30676      0.40878        -0.093097     -0.097066     -0.137233
      0.93403     16.84174      1.57583         0.127970      0.126480      0.011199
      0.74466     12.60492      1.01421        -0.574717     -0.781749     -0.238860
      2.13183     13.24409      2.76483         0.341918     -0.378434      0.382408
      0.91220     18.37366      1.71843        -0.154006      0.020490     -0.328943
      1.34869     19.12620      2.84041         0.106542      0.083044      0.239521
      1.25254     20.53439      2.83692        -0.125479      0.232012     -0.101182
      0.39516     19.15040      0.63034        -0.047964      0.008283      0.137457
      0.23600     20.53914      0.65444        -0.038764      0.016693     -0.089308
      0.66402     -0.02671      1.77864         0.099972     -0.294267      0.147236
      0.60537      1.42640      2.07413        -0.160204      0.486662     -0.206903
      1.70774      0.32437      3.81938         0.236748     -0.060282      0.517623
      1.32956      2.88196      4.04819        -0.016854      0.220865     -0.038439
      2.02915      2.98611      5.25558         0.034758     -0.201204      0.092945
      2.16283      4.20381      5.91394         0.094294      0.039127     -0.027201
      0.70821      4.08604      3.62557         0.145788     -0.317151      0.038386
      0.78520      5.28456      4.37256        -0.145139     -0.001299     -0.224177
      1.59168      5.43694      5.54561         0.154331      0.153309      0.120852
      1.94829      6.70137      6.36471         0.185780      0.123992      0.165781
      2.40566      6.71259      7.73406         0.013776     -0.021879     -0.068144
      2.84368      7.87690      8.38760         0.083593      0.027111      0.148125
      2.00457      8.01706      5.81518         0.009745     -0.219332      0.204711
      2.46585      9.18285      6.46278         0.155660      0.089487      0.001900
      2.91924      9.14892      7.79959        -0.007085     -0.306864     -0.050301
      2.62895      5.50847      8.63048         0.175841      0.120795     -0.019872
     -0.04985      6.39412      3.78078         0.064548     -0.068856      0.286675
      4.52943     14.13995      0.61272        -0.172126      0.274924     -0.176346
      3.95656     15.06279     -0.26734         0.001480      0.081257      0.063527
      4.02432     16.45303     -0.04399        -0.124630      0.023320      0.045960
      5.15513     14.61092      1.76387        -0.021509      0.220267     -0.051933
      5.15464     16.00032      2.01428        -0.045838     -0.261465      0.006026
      4.59738     16.99337      1.15144        -0.048908     -0.254852      0.036128
      4.31166     12.75647      0.08857         0.061882      0.143295     -0.104089
      3.29022     14.26672     19.89065         0.202792     -0.027205      0.156782
      4.62203     18.47995      1.57795        -0.008767     -0.021604      0.069554
      4.15650     19.61004      0.83548        -0.005894      0.153113      0.070257
      4.28894     20.92535      1.35099         0.057266      0.123915      0.072149
      5.15153     18.79775      2.85625         0.047395      0.142800      0.056039
      5.33057     20.09407      3.35639        -0.044609     -0.016171     -0.080294
      4.92005     21.16649      2.57392        -0.034330      0.145547     -0.182312
      5.06203      1.38674      2.80026         0.244291      0.233432      0.261460
      3.84840      1.03014      0.83352        -0.211654      0.146241     -0.329693
      4.05472      3.49043      1.69985         0.015721     -0.252259     -0.047749
      3.20921      4.03939      0.72404         0.043158      0.222403     -0.150374
      2.97725      5.41928      0.65732        -0.120711      0.021475      0.086506
      4.59269      4.43237      2.60377         0.028904     -0.087943     -0.001087
      4.22947      5.80474      2.61236        -0.086144     -0.239765     -0.059504
      3.38136      6.38821      1.61005         0.197000     -0.005742      0.122148
      2.93149      7.86012      1.57891         0.321421      0.021830     -0.093127
      1.67683      8.38518      1.12089         0.373433      0.236798     -0.257208
      1.33701      9.74022      1.31120        -0.210216     -0.271862     -0.245171
      3.77901      8.87125      2.09836        -0.137722      0.151362      0.134876
      3.40999     10.21379      2.34990         0.459108     -0.111627     -0.091928
      2.16426     10.69816      1.92570        -0.284158      0.163360      0.011582
      0.68510      7.62107      0.24679        -0.405294     -0.028755      0.377591
      4.88207      6.49511      3.80090        -0.131999     -0.252735      0.012707
     18.01626     17.31905     13.91622         0.062343      0.327988      0.047272
     18.97266     17.79592     14.81245         0.039438     -0.144626     -0.030350
     19.19182     19.16589     15.01429         0.050810     -0.047394     -0.046187
     17.33209     18.22196     13.10319         0.015863      0.062788      0.139988
     17.61744     19.58764     13.23137         0.107474      0.026454      0.148584
     18.49930     20.11863     14.21658        -0.196725     -0.084657     -0.004647
     17.99139     15.82910     13.96898         0.292570      0.397168      0.254448
     19.69289     16.59686     15.36422         0.268225      0.103080      0.410806
     18.63221      0.35664     14.40088        -0.006510      0.035570      0.062414
     19.49406      0.94336     15.36576        -0.025607      0.157227      0.043958
     19.52181      2.33641     15.52233        -0.064739      0.107887      0.077382
     17.83662      1.26026     13.64190         0.087870     -0.125517      0.123379
     17.86344      2.64840     13.80681         0.072837      0.062906      0.154226
     18.71863      3.19086     14.76663        -0.070804     -0.216851     -0.005700
     18.93754      4.60528     15.20283         0.295547     -0.477629      0.202975
     20.31089      3.18912     16.47169         0.297421     -0.032654      0.318690
     20.52608      5.71966     16.85544        -0.298889      0.235058      0.181286
      0.59680      5.72091     17.26312        -0.091781      0.269030      0.006256
      1.21095      6.89097     17.70558         0.116897      0.155093     -0.011400
     19.83228      6.92095     17.09676         0.240332     -0.036884      0.110937
     20.43412      8.07184     17.68142        -0.247580     -0.292158     -0.335693
      0.59262      8.13823     17.94507         0.206735     -0.003492      0.105347
      1.44374      9.32096     18.49689         0.336625     -0.235936     -0.131479
      2.81874      9.30960     19.00399        -0.392153      0.189562     -0.226896
      3.41761     10.50952     19.45618         0.194485     -0.051087      0.119349
      0.89407     10.62182     18.51326        -0.293490     -0.165350      0.090150
      1.47872     11.77032     19.05768        -0.273545      0.747995     -0.166791
      2.78225     11.74747     19.55586        -0.058097     -0.015640      0.141300
      3.91780      8.23285     19.00554         0.051763      0.204544      0.196763
     19.40087      9.14677     17.98460        -0.060409      0.159245      0.035773
      1.72551     18.33149     14.14622        -0.023805      0.134507      0.103030
      1.04789     19.24078     13.33332        -0.174761     -0.251680     -0.116785
      1.09446     20.61678     13.55177         0.097969     -0.079981      0.085197
      2.48256     18.78171     15.22157         0.088133      0.162977      0.013944
      2.52829     20.15631     15.46681        -0.199040      0.152510     -0.143487
      1.84313     21.10369     14.65692         0.008843      0.033529      0.069837
      1.45420     16.94946     13.68519        -0.062927      0.173370     -0.264783
      0.29339     18.44173     12.31081        -0.179022      0.219175     -0.174044
      1.97786      1.30694     14.94525         0.123006      0.131001      0.115256
      1.48086      2.29752     14.06771        -0.137732      0.116287      0.084020
      1.75465      3.64023     14.33077         0.014674     -0.049359      0.003401
      2.65128      1.76605     16.11288        -0.101155     -0.169583     -0.295815
      3.00889      3.09572     16.31584        -0.048103      0.149343     -0.177268
      2.59770      4.03332     15.36846        -0.016186     -0.120460      0.047062
      2.81984      5.50211     15.27537        -0.195746     -0.144155     -0.098972
      1.24555      4.87052     13.67100        -0.602245      0.110931     -0.460762
      1.43350      7.33248     14.21469         0.085847      0.119544     -0.039848
      0.11010      7.63731     13.90038        -0.085432     -0.008980      0.126670
     20.90852      8.93755     14.06234        -0.006688      0.096755      0.048861
      2.25266      8.42173     14.55384         0.036266     -0.007489      0.128835
      1.78550      9.74852     14.67021        -0.115112     -0.072346      0.068805
      0.38305     10.07387     14.47051        -0.121449     -0.202472     -0.062518
     20.87996     11.39651     14.61392        -0.123150      0.176851     -0.016036
     19.47390     11.66409     14.30144         0.223404      0.091246      0.069722
     18.93162     12.96190     14.41341        -0.051001     -0.001564     -0.056324
      0.28057     12.56120     15.07809        -0.033177      0.018373      0.098277
     -0.26049     13.85124     15.16005         0.027464     -0.022443     -0.106853
     19.67203     14.09760     14.79669        -0.097306     -0.172359      0.044767
     18.38446     10.66153     13.89503        -0.194229      0.180865      0.128346
      2.89030     10.71288     15.07322        -0.041253     -0.085647     -0.075699
     16.41545      0.42184      5.25896        -0.021060      0.170867      0.118207
     16.95060      0.78089      6.49452        -0.073956     -0.025244     -0.058187
     16.83749      2.09515      6.99001         0.046671     -0.052194      0.040927
     15.78457      1.35749      4.46369         0.005507      0.048990      0.054658
     15.71919      2.66879      4.93063         0.032957      0.126804      0.040727
     16.22491      3.10309      6.18880        -0.096457     -0.010804     -0.122511
     16.72440     20.27314      4.93991         0.005095      0.127547      0.117143
     17.68937     20.82737      6.99488         0.014513     -0.037386      0.058915
     16.17798      4.59712      6.50923        -0.066123     -0.030361     -0.110521
     16.67572      5.23296      7.68325        -0.025658      0.048709     -0.062234
     16.70437      6.64013      7.74946        -0.095865      0.075686      0.048516
     15.66156      5.47225      5.50994         0.113127     -0.034401      0.057603
     15.73577      6.86262      5.56340         0.004232      0.035533      0.093102
     16.27465      7.45037      6.69972        -0.101675     -0.259894      0.022595
     16.51932      8.87897      7.00949        -0.067965      0.493861     -0.179468
     17.22695      7.56279      8.81097         0.148457     -0.089224      0.581381
     17.63904     10.09007      8.94710         0.016826      0.270188      0.158325
     18.66610      9.99891      9.88452        -0.084947     -0.126581      0.193493
     19.25692     11.13610     10.43859        -0.042801      0.057340     -0.010416
     17.20507     11.40379      8.67835        -0.058412     -0.101228     -0.133657
     17.83040     12.54854      9.22169         0.097127     -0.093966      0.114996
     18.94876     12.47027     10.13032        -0.055661     -0.013744      0.041765
     19.75106     13.61175     10.78559        -0.017072     -0.019212     -0.069536
     21.07883     13.55835     11.34668         0.302466     -0.023702      0.152524
      0.43260     14.70115     11.90800         0.147654     -0.179176      0.029712
     19.18288     14.90198     10.91811        -0.048730     -0.009755      0.193368
     19.80481     16.03563     11.45492        -0.064010      0.022492      0.039876
     21.10037     15.95798     11.97491        -0.019827     -0.018004     -0.116622
      0.86467     12.42857     11.32922        -0.190977      0.165942      0.090488
     17.13676     13.82054      8.81388         0.140067      0.066497     -0.298846
     20.23128      1.52293      6.25557         0.077572      0.184694      0.056847
     19.62727      2.54816      5.51595         0.121193     -0.172258      0.088001
     19.51960      3.83650      5.99952        -0.026914      0.028264      0.045925
     20.72785      1.77831      7.52543        -0.058204      0.280171      0.217717
     20.58800      3.07738      8.04311        -0.092712     -0.001397     -0.190906
     20.00420      4.13856      7.29536         0.008549     -0.038983     -0.003057
     20.25535      0.28962      5.43101         0.005133     -0.143863      0.018901
     19.22760      1.99421      4.19478        -0.251995      0.203516     -0.482612
     20.02049      5.55971      7.75039        -0.048213      0.040872      0.149465
     19.56768      6.58588      6.89357        -0.095461     -0.128745     -0.156521
     19.89583      7.90682      7.16795        -0.094104     -0.103294      0.008124
     -0.71031      5.95859      9.00489        -0.108062      0.054136     -0.129715
     -0.42608      7.29262      9.29787         0.083674      0.060817     -0.017724
     20.59284      8.24860      8.30843         0.177437      0.164049      0.275562
     -0.29780      9.68095      8.20483         0.911510      0.594376      0.858337
     19.65422      9.14081      6.38408        -0.585517      0.120158     -1.003595
     20.28547     11.58651      6.65798         0.168055      0.519092      0.011315
     19.32620     12.03617      5.74287        -0.252679     -0.156475     -0.158658
     19.15059     13.39089      5.48791        -0.138773      0.052298      0.005192
     21.14044     12.58726      7.18380         0.008231     -0.092880      0.063051
     20.98135     13.95528      6.88309        -0.114008     -0.059958      0.000745
     19.90539     14.42998      6.06144         0.043862      0.119962      0.059762
     19.44691     15.86310      5.88003        -0.052180      0.011969      0.120564
     18.74273     16.40188      4.75295        -0.004179     -0.006204     -0.023146
     18.18028     17.68857      4.79430        -0.011938      0.060815      0.004698
     19.55448     16.77063      6.96641         0.020214     -0.116006     -0.038764
     19.02287     18.05935      7.00064        -0.022063     -0.014195      0.079633
     18.26405     18.53464      5.92290         0.078818     -0.146314     -0.044854
     18.45187     15.64997      3.45292         0.027505      0.130634      0.003579
      0.77716     14.87063      7.46935        -0.021947      0.099037     -0.021286
     12.71303      5.26125      3.98256         0.031938     -0.005414      0.034621
     13.40214      3.72094     20.52415         0.037299      0.043157     -0.069524
     13.18496      6.11668     21.00467         0.051629      0.027092      0.059280
     12.95711      7.27031      4.39180        -0.029812     -0.045138     -0.009399
     13.26706      8.01492      0.11340         0.016918     -0.005615      0.016178
     13.64701     10.41126      0.55695        -0.023419      0.074969     -0.176385
     13.44198     13.23082      8.87722        -0.058509     -0.043312     -0.179674
     13.22725     11.37358      7.35790         0.057608     -0.002602      0.118219
     14.30258     13.97212      4.11051         0.041526     -0.145249      0.311522
     12.72221     17.16521     11.44470        -0.052855     -0.039846     -0.070368
     15.43787     16.95146      7.38863         0.081611      0.000619      0.005273
     15.38327     19.00638      8.64347         0.057714     -0.032406     -0.010445
      9.47850      6.83361      3.06524         0.038377     -0.026316     -0.008490
     10.35273      3.56900      6.76651         0.066371      0.011508     -0.075486
     10.58260      5.97000      7.18189        -0.039832     -0.043222     -0.077563
      9.99906      8.95790      3.52843         0.020976     -0.040448      0.062629
     10.04925      7.73216      7.69367         0.014276     -0.088304      0.098784
     10.20737     10.05821      8.41163         0.039798      0.044432      0.079589
     11.99469     16.00077      2.29563         0.025751     -0.092921      0.085830
     11.42198     13.76009      2.83015        -0.071592      0.128951     -0.098463
     10.16933     15.05384      6.71503        -0.067840     -0.035507     -0.042316
     13.43017     20.28050      1.20962         0.083798      0.080090     -0.076642
     11.57517     19.27111      5.56389        -0.106127      0.142377     -0.069065
     12.00160      0.26403      5.04416         0.063462     -0.113718      0.042956
     10.54767      9.16465     17.55634         0.067704      0.028948      0.179825
     10.66163      7.66793     12.77455         0.050667      0.026461      0.120210
     10.57363     10.04266     13.31392         0.061495      0.053685     -0.034175
     10.76843     11.31774     17.93155        -0.030299     -0.073651     -0.045414
     10.60050     11.82858     13.60513         0.045384     -0.071616     -0.078724
     10.81976     14.24189     13.85306        -0.065985      0.011510     -0.088410
      9.21726     17.76627      0.20325         0.061686     -0.075013     -0.244110
      9.56818     15.79867     20.22748         0.081570      0.005053      0.118682
     12.01216     17.97983     17.48354         0.029912     -0.032054      0.066318
      8.63564      0.06375      3.03428         0.054636      0.081243     -0.098671
     10.96525      0.60191     20.03720         0.041172     -0.015983      0.166778
     10.76223      2.48661      0.21702        -0.128236     -0.040979     -0.113021
      6.80723     10.65296     15.71381         0.033759      0.045718     -0.135440
      7.86302      7.37882     19.35926        -0.004313      0.019856      0.026852
      7.95055      9.77591     19.81351        -0.061425      0.049959     -0.004083
      6.94079     12.83798     16.26436         0.066525     -0.076525     -0.063148
      7.59260     11.50395     20.35289        -0.035541     -0.036895      0.037473
      7.53744     13.78351     -0.11584         0.031463      0.071422      0.031022
      9.48058     19.88305     15.69015         0.150164     -0.127595      0.105540
      8.78458     17.65577     16.01587         0.038104      0.043775     -0.044325
      6.35260     18.95960     19.29913        -0.052738     -0.063244     -0.008845
     10.83104      2.89942     14.70651         0.208042      0.192898     -0.068230
      8.26973      1.93720     18.69928        -0.021816      0.070829     -0.006753
      8.93640      4.16016     18.33624         0.172504     -0.140663     -0.010223
      6.90013     12.92288      8.98070         0.137499      0.083985      0.063068
      6.97259     11.40753      4.21593        -0.035691     -0.002991      0.024903
      7.05403     13.78310      4.72386        -0.024087      0.033279     -0.005008
      7.18724     15.13079      9.32585         0.062355     -0.053381      0.062255
      7.05617     15.64650      5.01354        -0.010642     -0.133076     -0.093918
      7.29479     18.06400      5.27811        -0.140964     -0.072609     -0.067230
      6.70663      0.30415     13.10387        -0.052539     -0.071271     -0.143474
      6.83394     19.58915     11.78634        -0.067476      0.053325      0.131240
      8.85871      0.52309      8.73143         0.078558     -0.074346      0.065553
      6.23637      3.95918     15.77100         0.052352     -0.007207      0.051978
      8.35051      4.27848     11.39931         0.029625     -0.017421      0.216556
      8.27099      6.23900     12.79820        -0.129719      0.033821     -0.194676
      4.16774     14.46672      8.52649        -0.140588     -0.032146     -0.011192
      4.99763     11.38104     12.36761        -0.070544     -0.107131      0.076486
      5.03667     13.80793     12.72989         0.097061     -0.046683     -0.092438
      3.75152     16.44952      8.99376         0.051428      0.041988     -0.033055
      5.30706     15.68867     12.98847        -0.051743     -0.058823     -0.009823
      5.05829     18.06340     13.55192         0.047128     -0.031536      0.054564
      5.96344      2.36084      7.62796        -0.035645     -0.210780      0.098365
      4.99984      0.27981      7.89625         0.104825     -0.069305      0.023648
      3.77268      1.44101     11.81362        -0.061091      0.067813      0.019912
      7.10360      6.54018      6.25942         0.003693      0.029885      0.119460
      5.96630      5.69657     10.94769        -0.079560      0.125972     -0.176386
      6.22175      7.97895     10.19655         0.114087     -0.190620      0.158145
      2.02223     16.25013      3.38898         0.100492     -0.025585      0.026426
     -0.32423     14.55069     20.54758        -0.039705      0.132071      0.035410
     -0.04379     16.95574     20.87842        -0.126247      0.026099      0.174070
      1.74830     18.63121      3.72656         0.060468     -0.005169      0.035647
      0.07076     18.67223     20.96908         0.003362     -0.066993      0.029129
     -0.20797     -0.17800     21.07018         0.090047     -0.151419      0.064815
      2.80582      4.17256      6.76845         0.134904     -0.146173      0.005064
      2.47021      2.09863      5.70642         0.146117      0.102094     -0.072313
      0.12670      4.08575      2.70601        -0.056475     -0.004630      0.073982
      3.15318      7.78405      9.42477        -0.010093      0.068670     -0.158508
      1.72553      8.14982      4.77980        -0.056987      0.057117     -0.217177
      2.51527     10.11699      5.90211        -0.097449     -0.073209     -0.050597
      3.59759     17.09758     20.45208        -0.149747      0.232295     -0.081518
      5.59735     13.90274      2.47658        -0.059818      0.244908     -0.062810
      5.59947     16.28312      2.96475         0.074425      0.139542     -0.006415
      3.70015     19.48779     -0.14107        -0.109220     -0.060266     -0.223653
      5.49418     18.00276      3.50518         0.023298     -0.170070      0.123312
      5.79312     20.26054      4.33156        -0.023966     -0.044576     -0.002448
      2.44690      5.74676     -0.22217        -0.222060     -0.029093      0.039515
      2.72545      3.40325     -0.01240         0.110012      0.013831     -0.090118
      5.30200      4.11486      3.36487        -0.149375     -0.188434     -0.046556
      0.39078     10.07094      0.89750         0.020931     -0.015944      0.105089
      4.80981      8.59450      2.33066        -0.152434      0.172905      0.018491
      4.15272     10.86612      2.81860        -0.158931     -0.047131     -0.135340
     19.91756     19.47536     15.76802         0.014265      0.008137      0.002282
     16.60845     17.88056     12.36444        -0.047990     -0.042638     -0.083337
     17.14434     20.26106     12.51725        -0.094797     -0.003729      0.072427
     20.12705      0.33585     16.01157         0.053167     -0.047944      0.009215
     17.13527      0.87022     12.91110        -0.071344     -0.060745     -0.109610
     17.20515      3.28571     13.21768        -0.011505      0.050683     -0.059789
      2.26600      6.78350     17.90341        -0.068457      0.065402     -0.098565
      1.15721      4.80299     17.23340         0.284917     -0.238481     -0.003770
     18.77771      6.97072     16.85814        -0.111765      0.005022     -0.026145
      4.44713     10.46518     19.78744         0.019283     -0.026774      0.041050
     -0.09679     10.75115     18.08423         0.258674      0.147010      0.154123
      0.89732     12.70754     19.06012         0.190404     -0.390541     -0.068428
      0.56734      0.03205     12.87043         0.003014     -0.093995      0.096603
      3.04890     18.09545     15.84746        -0.032761     -0.141893      0.080251
      3.12500     20.51684     16.30782        -0.000719     -0.114038     -0.121441
      0.88108      2.04110     13.19326         0.023467      0.025823     -0.001569
      2.91685      1.05928     16.89141         0.110819     -0.105035      0.086990
      3.54757      3.38597     17.21570         0.142749      0.040247      0.016597
     19.86177      9.03927     13.86002         0.041637     -0.115615      0.092886
     20.65695      6.87253     13.59669         0.039783      0.012584      0.009602
      3.28878      8.20517     14.79993        -0.031922      0.132700     -0.100070
     17.88389     13.07953     14.15151         0.113352      0.128212      0.065092
      1.30157     12.48820     15.43346        -0.094726      0.050838     -0.194058
      0.38120     14.68003     15.44174         0.112853     -0.112803      0.212424
     17.28729      2.34073      7.95468        -0.009744     -0.002725      0.005340
     15.40608      1.06995      3.48184         0.029668      0.102359      0.041427
     15.28835      3.38653      4.23920        -0.013225      0.026783      0.060143
     17.07812      4.66681      8.52596        -0.025273     -0.059879     -0.034898
     15.19143      5.05780      4.62577         0.065661     -0.020926     -0.126350
     15.39167      7.47357      4.73071        -0.022648     -0.010777     -0.024675
     20.00676     10.94619     11.18376        -0.006913     -0.023485     -0.072873
     18.99388      9.01251     10.20191         0.023954      0.148622      0.182849
     16.36192     11.55539      8.00803         0.091542     -0.029587     -0.006435
      1.42329     14.58105     12.33507        -0.111999      0.127993     -0.101788
     18.15210     15.04620     10.62847        -0.056723      0.020535      0.098634
     19.25104     16.96948     11.51487        -0.036516      0.006290     -0.176480
     19.08370      4.60213      5.35757         0.003839     -0.091295      0.002922
     -0.01753      1.00293      8.09595        -0.079649     -0.021289      0.033626
     -0.24923      3.27543      9.02734        -0.099020      0.002854      0.018146
     19.01558      6.35766      5.98222         0.087139      0.080705      0.106305
     -0.47513      5.20711      9.75322        -0.030553     -0.005443      0.121556
     -0.02580      7.57188     10.27231         0.154229     -0.010923     -0.006671
     18.32360     13.65415      4.84070        -0.065888     -0.136234      0.078625
     18.67567     11.31342      5.25331        -0.034820      0.116839      0.030362
      0.68478     12.30484      7.85951        -0.069014     -0.024336     -0.135408
     17.59735     18.01245      3.93803         0.069223      0.025527      0.002283
     20.02908     16.42785      7.88160        -0.019659      0.084914     -0.111640
     19.18089     18.69645      7.87175        -0.032363     -0.193841      0.004038
     13.95443     19.16278     10.70325         0.009156      0.074290      0.082903
     19.51394      0.01286      3.45023        -0.094177     -0.219823     -0.297962
     12.95974      1.23489      2.66593        -0.096070      0.060049      0.058019
     13.64950     11.41226      4.66914        -0.091563      0.026891     -0.165155
      9.62161      2.57504      2.70634         0.014818      0.029190      0.032889
     10.37337     12.83326      5.16167         0.177915     -0.008947      0.132292
     10.36948      5.13629     16.16649         0.042074     -0.474727     -0.490108
     10.89620     15.53797     17.88863        -0.002412      0.093108     -0.172514
      7.12460      6.39418     15.33790         0.133888      0.051930     -0.218523
      7.19930     16.68274     18.02393         0.151555      0.223995      0.094622
      6.76904      8.88425      7.67245         0.008986     -0.158470      0.053358
      7.59770     19.36842      9.25309         0.043521      0.166116      0.039898
      3.44176     10.25554      8.56850        -0.000058     -0.033870     -0.158009
      4.06045     20.51899     10.32342         0.098323      0.214331      0.063967
      1.73928     12.10694      1.91301        -0.183692      0.134202      0.019811
      1.22904      1.62053      3.34977        -0.074261     -0.071221     -0.204965
      3.42842     12.87243     20.22385        -0.029922     -0.117720      0.028992
      4.31487      2.04964      1.76475         0.150675     -0.133275      0.228282
     19.11380     15.42930     14.76819         0.150094     -0.102673     -0.051338
     19.92053      4.55563     16.25091        -0.072078      0.021675     -0.147015
      0.52440     17.05977     12.59750        -0.218257      0.022044      0.031668
      1.89763      5.98304     14.28229        -0.001662      0.013531      0.126563
     17.60425     19.80879      5.95775        -0.057153     -0.031656      0.036905
     17.10099      8.91469      8.31586        -0.079250      0.002850     -0.092433
     19.61555      0.64565      4.22977         0.013525      0.276205      0.351819
     20.34808     10.21173      7.02828         0.027649     -0.235579      0.196017
     12.51926      2.37808      4.69483         0.151050     -0.021901     -0.144383
     13.71403      0.96211      0.44640         0.188409     -0.291227     -0.497118
     13.25340      9.61033      6.14760         0.030650      0.024392     -0.408381
     14.04083     12.53110      2.61178        -0.071771      0.051030     -0.128140
      9.46696      4.39990      1.21932         0.011694     -0.038874      0.201364
      9.64682      1.40861      4.76000         0.072437      0.461781     -0.239757
     10.17861     11.86178      3.02088         0.024270     -0.078257      0.112216
     10.24219     12.97642      7.51503        -0.036528      0.520483      0.793782
     10.37026      6.21657     18.24987        -0.075073     -0.104431      1.788917
     10.78349      4.87012     13.84926         0.228649     -0.768863     -1.191497
     10.82711     13.83590     19.51567        -0.018399      0.022579     -0.237425
     11.02966     16.56930     15.77296        -0.057711      0.009355     -0.072721
      6.96209      8.19105     13.83234        -0.011578      0.131571     -0.036013
      7.18567      5.25700     17.40680        -0.096387     -0.272477      0.150130
      6.93024     15.81942     15.86180         0.001686     -0.051957     -0.480024
      7.11112     16.73774     20.37468        -0.131237      0.532288      0.863663
      7.01586     10.03681      9.72339        -0.032473      0.026967     -0.109924
      7.00937      8.57459      5.33715        -0.156395      0.264099      0.298026
      7.66717     17.67254     10.89738         0.008266      0.029825     -0.435074
      7.26181     20.40180      7.15475         0.163672     -0.474688      0.361696
      3.36454     11.97538      6.96425         0.051711     -0.026524     -0.011264
      3.86442      9.21730     10.66719        -0.011923     -0.109531      0.102426
      3.61159     19.48103      8.26015        -0.069899     -0.050201     -0.608214
      4.29443     20.73361     12.66237        -0.007623      0.309442      0.489333
      2.84334     13.11336      3.74655        -0.101184      0.205716     -0.281545
     -0.06441     11.94928      0.35271         0.560147      0.433934      0.200755
      2.39342      0.15854      4.81669        -0.176322     -0.043058     -0.237744
      0.10706      2.30193      1.37375         0.243617     -0.324030      0.274180
      2.76667     14.67697     18.87619        -0.357273      0.232962     -0.348266
      4.83019     11.72472      0.48952         0.004145      0.030800      0.017067
      3.18196      1.27608     -0.16196         0.188694     -0.284488      0.124151
      5.73501      1.94294      3.66494        -0.421737     -0.360009     -0.435377
     -0.63955     16.59871     16.16631        -0.183165      0.016084     -0.140109
     17.17333     15.08759     13.47374        -0.464875     -0.430739     -0.391824
     -0.11820      2.81512     17.29090        -0.243649      0.088167     -0.104567
     18.41551      5.61172     14.77095        -0.201102      0.417775     -0.147520
     20.86388     18.86166     11.39194        -0.005151     -0.028733      0.066826
      1.92292     15.90979     14.11021         0.147121     -0.228856      0.179787
      0.37177      4.95405     12.80965         0.340985     -0.076982      0.275454
      3.61285      6.18730     15.89627         0.161884      0.039202      0.044666
     18.27167     20.69820      8.05689         0.001523     -0.029362      0.139370
     16.29871     19.63753      3.98972         0.002880     -0.067558     -0.236840
     17.68423      7.25919      9.90571        -0.240973     -0.000605     -0.318299
     16.31338      9.85154      6.29106        -0.051975     -0.332594      0.367513
     18.68455      2.55129      3.24517         0.107905     -0.158696      0.322457
     20.71191     20.44003      5.68240         0.007261      0.118699     -0.038477
     18.96495      9.23711      5.36959         0.420836     -0.056203      0.469555
      0.45212     10.30683      8.95946        -0.703850     -0.634629     -0.796298
     14.07171     17.28436      5.62496         0.149329     -0.032645     -0.017285
     16.05221     16.31057      5.70855        -0.020905     -0.048224     -0.061156
     14.74421     16.01305      4.00112         0.002166      0.002439      0.070173
     11.70341     15.23379     11.46296        -0.007475      0.232342     -0.054165
     11.44306     14.35349      9.49275         0.046500     -0.032458      0.020945
     13.16593     13.79955     10.77071         0.025850      0.029249     -0.076177
     11.93840     18.05378      7.08482         0.069553      0.117891      0.134453
      9.89831     18.54675      6.39460         0.064819     -0.004604     -0.015634
     10.25436     16.87481      7.73330        -0.127892     -0.156319      0.149998
     13.67520     18.53498      0.24173         0.056107     -0.097333      0.037711
     14.24160     17.02329      1.70000        -0.109862     -0.081108      0.025049
     12.25958     16.98832      0.74881        -0.057161      0.004611     -0.074196
     11.43095      0.09989     18.27220         0.128843     -0.065940     -0.028673
     13.10516     -0.66902     19.49794        -0.087140      0.137762     -0.027367
     12.79159     19.89486     17.45144         0.129247     -0.041898      0.071543
      8.14679     19.32051      3.15450         0.074263      0.020323     -0.200847
      7.68034     18.55500      1.16351        -0.017385      0.132990      0.099532
      9.58451     18.05147      2.16275        -0.076500     -0.051114     -0.023051
      7.56440      0.86878     20.05591         0.036928      0.037186      0.278633
      5.97199      1.13545     18.55486         0.139136      0.010935      0.064859
      5.84409     20.83174     20.05651        -0.065742     -0.098898     -0.129927
     10.77014      1.28043     13.55401         0.320904     -0.030397     -0.089713
     11.45635     -0.21118     15.00771         0.093404     -0.200774     -0.053804
      9.46526     20.92745     14.07057        -0.117698     -0.315742     -0.190041
      9.01586      3.74502      9.54445        -0.017465     -0.090780      0.087899
     10.42414      2.97654     11.05743        -0.167082     -0.008709      0.003420
     10.34228      2.09350      9.06467        -0.058385     -0.066217      0.097534
      6.07086      1.98146     16.19153        -0.091211      0.008793     -0.248197
      5.14404      1.20494     14.38246         0.145899      0.143254     -0.009517
      7.10990      0.51607     15.00700         0.120259     -0.110369     -0.211507
      4.35066      5.11562     11.94467         0.112155     -0.082813     -0.123773
      2.71778      3.70107     11.62876        -0.103801      0.184360     -0.107964
      4.35039      3.23282     12.99467         0.104906      0.004264      0.251018
      7.37246      4.60689      5.48529        -0.067101      0.150004     -0.158239
      7.63135      3.01195      6.92263        -0.053190      0.136100     -0.019503
      5.61881      3.51530      6.11579         0.046794     -0.108096      0.003973
     -0.57272      7.25340      4.69609         0.039933     -0.103594     -0.026504
      0.71589      7.18826      2.99006         0.071187      0.111416      0.104779
     -1.10960      5.94340      3.05137         0.068056      0.002774      0.059013
      2.92336      5.85411      9.91161        -0.249907     -0.036732      0.004268
      1.61237      4.60503      8.72703         0.096128     -0.026219     -0.230085
      3.73290      4.80126      8.19505        -0.344806      0.159287      0.086870
      6.18122      6.81606      3.51261         0.113294     -0.091013     -0.127026
      4.29383      7.61986      4.27064        -0.167707      0.093932      0.024288
      4.90395      5.65182      4.88423         0.079945      0.204646     -0.091956
     -0.31972      8.43307     21.08632        -0.143512      0.016835     -0.094825
      1.29705      7.15233     -0.88183        -0.029918      0.064206      0.010594
      0.04900      6.53274      0.77999         0.331480     -0.021073     -0.165163
     19.47877      9.60765     19.26264        -0.021666      0.028601      0.004464
     19.51491     10.24961     17.16178        -0.050785     -0.031193      0.021767
     18.10837      8.72203     17.82034         0.137250     -0.004131      0.064482
      4.82060      8.48682     20.01850         0.068666     -0.228385     -0.151220
      3.61532      6.91976     19.18510        -0.074746      0.010103      0.034303
      4.61782      8.30466     17.82780        -0.166027     -0.025849      0.038528
      3.08769     11.72706     14.17814        -0.010532     -0.024747      0.086522
      2.64588     11.30434     16.28394         0.241769      0.000207      0.100759
      4.11337     10.10718     15.19941        -0.071403      0.070370      0.012064
     17.19140     11.26704     13.61388        -0.045024     -0.032248      0.059977
     18.65820      9.93875     12.76136        -0.155583     -0.019309      0.045067
     18.10624      9.75760     14.88534         0.030878     -0.017252     -0.063491
     16.27235     14.24920      9.79797         0.074529      0.084420     -0.080530
     17.97096     14.86537      8.51786         0.004428     -0.036677      0.072034
     16.39995     13.66120      7.68262        -0.012163     -0.045552     -0.032370
      1.89424     12.68526     12.19777        -0.076202     -0.073396     -0.317208
      0.47372     11.17028     11.68740         0.131625      0.083409     -0.042752
      1.41968     12.34720     10.08641        -0.018773      0.117135      0.115330
      1.17550     15.84485      6.59413        -0.108070      0.007197     -0.030685
      0.37183     15.51858      8.61961         0.035384     -0.019293      0.051171
      1.90486     14.21198      7.83904         0.033178     -0.093904     -0.154270
     18.11586     16.48688      2.42838         0.162115      0.073865      0.007059
     19.52175     14.91740      3.01097        -0.078431      0.006553      0.103365
     17.37964     14.78061      3.54838         0.199910      0.155537     -0.028992
 -----------------------------------------------------------------------------------
    total drift:                                0.002456      0.002631     -0.018989


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4578.7045506434 eV

  energy  without entropy=    -4578.8578520943  energy(sigma->0) =    -4578.75565113
 
 d Force = 0.6875331E-01[-0.152E-02, 0.139E+00]  d Energy = 0.6837397E-01 0.379E-03
 d Force = 0.3777123E+03[ 0.378E+03, 0.378E+03]  d Ewald  = 0.3777131E+03-0.852E-03


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   86(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3160
 total energy-change (2. order) : 0.8799762E+00  (-0.6505890E+02)
 number of electron    2497.9999987 magnetization 
 augmentation part      162.7077900 magnetization 

  free energy =  -0.457782456929E+04  energy without entropy=  -0.457797753854E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   86(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3520
 total energy-change (2. order) :-0.1416904E+01  (-0.1688971E+01)
 number of electron    2497.9999987 magnetization 
 augmentation part      162.7705532 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8501
  0.8501

  free energy =  -0.457924147304E+04  energy without entropy=  -0.457939399716E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   86(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3752
 total energy-change (2. order) : 0.4576177E-01  (-0.3254394E-01)
 number of electron    2497.9999987 magnetization 
 augmentation part      162.7140962 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4089
  1.0588  1.7591

  free energy =  -0.457919571127E+04  energy without entropy=  -0.457934824073E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   86(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) :-0.6871681E-02  (-0.2717787E-01)
 number of electron    2497.9999987 magnetization 
 augmentation part      162.6687279 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2910
  2.1875  0.8428  0.8428

  free energy =  -0.457920258295E+04  energy without entropy=  -0.457935521636E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   86(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3808
 total energy-change (2. order) :-0.6457611E-03  (-0.5076308E-02)
 number of electron    2497.9999987 magnetization 
 augmentation part      162.6803774 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3353
  2.4073  1.0175  1.0175  0.8989

  free energy =  -0.457920322871E+04  energy without entropy=  -0.457935550267E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   86(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3480
 total energy-change (2. order) : 0.1497675E-02  (-0.2566432E-02)
 number of electron    2497.9999987 magnetization 
 augmentation part      162.6836170 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2498
  2.3989  1.0506  1.0506  0.8745  0.8745

  free energy =  -0.457920173103E+04  energy without entropy=  -0.457935428161E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   86(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) : 0.1818783E-04  (-0.4042764E-03)
 number of electron    2497.9999987 magnetization 
 augmentation part      162.6865870 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2416
  2.3929  1.0053  1.0053  1.1861  1.1861  0.6739

  free energy =  -0.457920171285E+04  energy without entropy=  -0.457935384322E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   86(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) : 0.9878515E-04  (-0.8234234E-04)
 number of electron    2497.9999987 magnetization 
 augmentation part      162.6897725 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2198
  2.4542  1.0739  1.0739  1.2440  1.2440  0.8263  0.6221

  free energy =  -0.457920161406E+04  energy without entropy=  -0.457935389910E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   86(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3640
 total energy-change (2. order) :-0.2757029E-04  (-0.3762163E-04)
 number of electron    2497.9999987 magnetization 
 augmentation part      162.6885392 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2191
  2.5082  1.6350  1.0195  1.0195  1.0878  0.9373  0.9373  0.6086

  free energy =  -0.457920164163E+04  energy without entropy=  -0.457935375879E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   86(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3392
 total energy-change (2. order) :-0.5081529E-05  (-0.6903523E-05)
 number of electron    2497.9999987 magnetization 
 augmentation part      162.6885392 magnetization 

  free energy =  -0.457920164671E+04  energy without entropy=  -0.457935380037E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0264       2 -56.1159       3 -56.0003       4 -55.8259       5 -55.8384
       6 -56.2811       7 -58.1043       8 -58.2376       9 -56.2589      10 -55.9270
      11 -56.0201      12 -55.8179      13 -55.7807      14 -55.9483      15 -58.0639
      16 -58.1124      17 -56.3379      18 -54.9919      19 -54.8913      20 -55.0525
      21 -55.6306      22 -55.5650      23 -55.5734      24 -55.5963      25 -55.0074
      26 -54.7781      27 -54.9233      28 -54.9235      29 -60.3939      30 -60.3605
      31 -55.7281      32 -55.8363      33 -55.7316      34 -55.4760      35 -55.5505
      36 -56.0305      37 -57.8140      38 -57.9726      39 -56.1332      40 -55.8617
      41 -55.9797      42 -55.7140      43 -55.7581      44 -55.9374      45 -58.0889
      46 -58.1812      47 -56.4774      48 -55.1374      49 -54.9577      50 -55.3103
      51 -55.8958      52 -55.8305      53 -55.7459      54 -55.7302      55 -55.0506
      56 -54.8507      57 -54.9558      58 -56.3602      59 -60.3286      60 -60.6312
      61 -55.9477      62 -56.0460      63 -55.9054      64 -55.7693      65 -55.7378
      66 -56.1851      67 -58.0155      68 -58.1284      69 -56.1922      70 -55.8894
      71 -55.9826      72 -55.7130      73 -55.6864      74 -55.9085      75 -58.0238
      76 -58.0707      77 -56.3089      78 -55.0724      79 -54.9057      80 -55.2078
      81 -55.7830      82 -55.7887      83 -55.8650      84 -55.8806      85 -55.2760
      86 -55.0171      87 -55.1898      88 -56.3770      89 -60.6482      90 -60.3684
      91 -55.7723      92 -55.8875      93 -55.7896      94 -55.5584      95 -55.6213
      96 -56.1197      97 -57.9107      98 -58.0160      99 -56.2258     100 -55.9290
     101 -56.0683     102 -55.7301     103 -55.7905     104 -56.0084     105 -58.1156
     106 -58.1721     107 -56.4177     108 -55.1610     109 -54.9645     110 -55.3865
     111 -55.8785     112 -55.8246     113 -55.6979     114 -55.6529     115 -55.0000
     116 -54.7757     117 -54.9265     118 -56.2503     119 -60.3872     120 -60.5830
     121 -55.9830     122 -56.0058     123 -55.8851     124 -55.7901     125 -55.8025
     126 -56.2178     127 -58.1165     128 -58.1920     129 -56.1903     130 -55.8241
     131 -55.9290     132 -55.7411     133 -55.6724     134 -55.8434     135 -57.9317
     136 -58.0433     137 -56.3424     138 -55.0614     139 -54.9294     140 -55.3363
     141 -55.8524     142 -55.7763     143 -55.8279     144 -55.8270     145 -55.1688
     146 -55.0757     147 -55.2254     148 -56.3554     149 -60.4761     150 -60.5181
     151 -55.6579     152 -55.7650     153 -55.6116     154 -55.4457     155 -55.4818
     156 -55.9305     157 -57.9003     158 -57.9349     159 -56.0036     160 -55.7546
     161 -55.9214     162 -55.5478     163 -55.5629     164 -55.7902     165 -57.9415
     166 -58.0994     167 -56.3544     168 -55.0314     169 -54.8394     170 -55.1862
     171 -55.8289     172 -55.8592     173 -55.8753     174 -55.7997     175 -55.2731
     176 -55.0580     177 -55.1327     178 -56.5100     179 -60.4704     180 -60.5740
     181 -55.8244     182 -56.0707     183 -55.9245     184 -55.5994     185 -55.6338
     186 -56.1862     187 -57.9081     188 -58.1871     189 -56.2291     190 -55.8554
     191 -56.0287     192 -55.7225     193 -55.7023     194 -55.9120     195 -57.9839
     196 -58.1566     197 -56.5000     198 -55.0494     199 -54.9501     200 -55.2958
     201 -55.8149     202 -55.8218     203 -55.8802     204 -55.8304     205 -55.1045
     206 -55.1962     207 -55.1835     208 -56.4577     209 -60.6453     210 -60.4822
     211 -55.9924     212 -56.0364     213 -55.9147     214 -55.8358     215 -55.7929
     216 -56.2820     217 -58.1427     218 -58.1396     219 -56.1542     220 -55.8172
     221 -55.9389     222 -55.5815     223 -55.5243     224 -55.8103     225 -57.9375
     226 -58.1212     227 -56.4382     228 -54.9925     229 -54.9110     230 -55.1909
     231 -55.7356     232 -55.7323     233 -55.6823     234 -55.6933     235 -55.0121
     236 -55.0929     237 -55.1852     238 -56.4252     239 -60.3235     240 -60.4065
     241 -55.9885     242 -56.0458     243 -55.9405     244 -55.7788     245 -55.7859
     246 -56.2332     247 -58.0916     248 -58.1606     249 -56.2203     250 -55.8901
     251 -55.9984     252 -55.7638     253 -55.7663     254 -55.9476     255 -58.0179
     256 -58.0868     257 -56.3420     258 -55.0667     259 -54.9116     260 -55.2470
     261 -55.7868     262 -55.7533     263 -55.8287     264 -55.8799     265 -55.2239
     266 -54.9794     267 -55.1964     268 -56.3720     269 -60.5763     270 -60.4044
     271 -55.8696     272 -55.9425     273 -55.8067     274 -55.6763     275 -55.6348
     276 -56.0347     277 -58.0533     278 -58.0761     279 -55.9250     280 -55.6682
     281 -55.7690     282 -55.4996     283 -55.5164     284 -55.7765     285 -57.9760
     286 -58.0030     287 -56.3420     288 -55.0412     289 -54.9003     290 -55.2265
     291 -55.8349     292 -55.7990     293 -55.8612     294 -55.8577     295 -55.2221
     296 -55.0064     297 -55.0538     298 -56.4224     299 -60.5241     300 -60.5544
     301 -55.8765     302 -56.0310     303 -55.9423     304 -55.6564     305 -55.6989
     306 -56.2140     307 -58.0281     308 -58.2296     309 -56.2564     310 -55.9400
     311 -56.0324     312 -55.7235     313 -55.7130     314 -55.9039     315 -57.9759
     316 -58.1261     317 -56.4089     318 -55.0427     319 -54.8963     320 -55.2924
     321 -55.7935     322 -55.7556     323 -55.8629     324 -55.8705     325 -55.1905
     326 -55.0996     327 -55.2247     328 -56.4070     329 -60.5583     330 -60.4653
     331 -55.7052     332 -55.7356     333 -55.6219     334 -55.5560     335 -55.5360
     336 -55.9518     337 -57.9005     338 -57.8821     339 -55.8463     340 -55.5855
     341 -55.6896     342 -55.4349     343 -55.4450     344 -55.6868     345 -57.9200
     346 -57.9313     347 -56.4198     348 -54.9810     349 -54.9670     350 -55.2819
     351 -55.7661     352 -55.7038     353 -55.7023     354 -55.7245     355 -55.1650
     356 -54.9744     357 -55.0207     358 -56.4115     359 -60.4643     360 -60.4997
     361 -39.0577     362 -38.7926     363 -38.9198     364 -39.0283     365 -38.9295
     366 -38.7638     367 -38.1177     368 -38.1214     369 -37.9458     370 -38.1280
     371 -38.1583     372 -38.2057     373 -38.6924     374 -38.3718     375 -38.6985
     376 -38.8242     377 -38.8546     378 -38.7753     379 -38.1695     380 -38.1623
     381 -38.2499     382 -38.0006     383 -38.2396     384 -37.9573     385 -38.9413
     386 -38.7697     387 -38.9098     388 -38.9320     389 -38.9041     390 -38.6413
     391 -38.2132     392 -38.3398     393 -38.2100     394 -38.1692     395 -38.1469
     396 -38.3040     397 -38.7823     398 -38.4767     399 -38.8087     400 -38.9041
     401 -38.8283     402 -38.7887     403 -38.1991     404 -38.1811     405 -38.4407
     406 -38.0652     407 -38.0964     408 -37.8280     409 -38.8025     410 -38.7980
     411 -38.9733     412 -38.7819     413 -38.9630     414 -38.7050     415 -38.2831
     416 -38.2632     417 -38.2998     418 -38.1673     419 -38.2069     420 -38.3128
     421 -38.6468     422 -38.3993     423 -38.6028     424 -38.7280     425 -38.5862
     426 -38.5722     427 -38.2105     428 -38.0496     429 -38.2616     430 -38.1858
     431 -38.0929     432 -38.0220     433 -38.7968     434 -38.6255     435 -38.8369
     436 -38.7268     437 -38.9234     438 -38.6388     439 -38.2911     440 -38.0327
     441 -38.1261     442 -38.0456     443 -38.2390     444 -38.0822     445 -38.9027
     446 -38.8402     447 -38.9371     448 -38.7932     449 -38.8224     450 -38.4103
     451 -38.0375     452 -37.9687     453 -38.1222     454 -37.9556     455 -38.1679
     456 -38.1381     457 -38.9262     458 -38.7439     459 -38.9115     460 -38.8979
     461 -38.9432     462 -38.7460     463 -38.1484     464 -38.3591     465 -38.2852
     466 -38.3812     467 -38.1649     468 -38.2242     469 -38.8437     470 -38.7063
     471 -38.7318     472 -38.7548     473 -38.6438     474 -38.5154     475 -38.3176
     476 -38.1306     477 -38.1539     478 -38.1242     479 -38.1631     480 -38.0371
     481 -38.8783     482 -38.7352     483 -38.9137     484 -38.8782     485 -38.9692
     486 -38.7685     487 -38.1508     488 -38.1762     489 -38.2533     490 -38.2297
     491 -38.2434     492 -38.4255     493 -38.8000     494 -38.5015     495 -38.5836
     496 -38.7061     497 -38.4782     498 -38.4544     499 -38.1578     500 -37.9634
     501 -38.1970     502 -38.1099     503 -38.0721     504 -37.9823     505 -38.2074
     506 -41.1634     507 -71.7032     508 -71.6265     509 -71.3576     510 -71.6345
     511 -71.5280     512 -71.5286     513 -71.4425     514 -71.5346     515 -71.6498
     516 -71.4822     517 -71.4672     518 -71.4567     519 -71.4750     520 -71.5601
     521 -71.5707     522 -71.4930     523 -71.6300     524 -71.4996     525 -71.5779
     526 -71.4391     527 -71.6457     528 -71.5422     529 -71.1669     530 -71.4526
     531 -76.8937     532 -76.7459     533 -76.7484     534 -76.7262     535 -76.6235
     536 -76.4433     537 -76.8361     538 -76.7516     539 -76.7182     540 -76.7120
     541 -76.7040     542 -76.6711     543 -76.6488     544 -76.6001     545 -76.8184
     546 -76.7782     547 -76.8369     548 -76.7639     549 -76.6818     550 -76.5687
     551 -76.5571     552 -76.5793     553 -76.7839     554 -76.6494     555 -76.7572
     556 -76.6069     557 -76.7848     558 -76.6262     559 -76.7546     560 -76.8253
     561 -76.7486     562 -76.5632     563 -76.7803     564 -76.7400     565 -76.7462
     566 -76.6556     567 -76.7010     568 -76.7316     569 -76.7616     570 -76.6239
     571 -76.8620     572 -76.7175     573 -76.7629     574 -76.6359     575 -76.4932
     576 -76.5448     577 -76.6670     578 -76.6370     579 -82.3011     580 -82.2790
     581 -82.2266     582 -82.3587     583 -82.2815     584 -82.2690     585 -82.4665
     586 -82.4991     587 -82.6262     588 -82.1640     589 -82.0777     590 -82.2921
     591 -82.3204     592 -82.1979     593 -82.2435     594 -82.5878     595 -82.5063
     596 -82.5655     597 -82.4750     598 -82.4509     599 -82.5612     600 -82.2240
     601 -82.2955     602 -82.3613     603 -82.3802     604 -82.3254     605 -82.4722
     606 -82.2386     607 -82.2599     608 -82.4604     609 -82.6403     610 -82.2792
     611 -82.4496     612 -82.4783     613 -82.2687     614 -82.2871     615 -82.4581
     616 -82.5325     617 -82.4131     618 -82.6101     619 -82.6413     620 -82.5634
     621 -82.2197     622 -82.4412     623 -82.1983     624 -82.2698     625 -82.3311
     626 -82.0663     627 -82.2920     628 -82.2550     629 -82.2695     630 -82.3040
     631 -82.5599     632 -82.3086     633 -82.4322     634 -82.4534     635 -82.5312
     636 -82.3752     637 -82.4505     638 -82.2854     639 -82.3176     640 -82.4063
     641 -82.4182     642 -82.3688     643 -82.5392     644 -82.3910     645 -82.3870
     646 -82.3329     647 -82.4799     648 -82.3714     649 -82.3867     650 -82.2294
 
 
 
 E-fermi :  -1.4750     XC(G=0):  -6.5364     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -28.9953      2.00000
      2     -28.9274      2.00000
      3     -28.8669      2.00000
      4     -28.8479      2.00000
      5     -28.8441      2.00000
      6     -28.8410      2.00000
      7     -28.8059      2.00000
      8     -28.7748      2.00000
      9     -28.7149      2.00000
     10     -28.7099      2.00000
     11     -28.7095      2.00000
     12     -28.7041      2.00000
     13     -28.6959      2.00000
     14     -28.6642      2.00000
     15     -28.6555      2.00000
     16     -28.6282      2.00000
     17     -28.6234      2.00000
     18     -28.6210      2.00000
     19     -28.6135      2.00000
     20     -28.5868      2.00000
     21     -28.5723      2.00000
     22     -28.5684      2.00000
     23     -28.5411      2.00000
     24     -28.4982      2.00000
     25     -26.7034      2.00000
     26     -26.6514      2.00000
     27     -26.6460      2.00000
     28     -26.6088      2.00000
     29     -26.5920      2.00000
     30     -26.5905      2.00000
     31     -26.5609      2.00000
     32     -26.5520      2.00000
     33     -26.5379      2.00000
     34     -26.5268      2.00000
     35     -26.5257      2.00000
     36     -26.5085      2.00000
     37     -26.5005      2.00000
     38     -26.5000      2.00000
     39     -26.4722      2.00000
     40     -26.4708      2.00000
     41     -26.4562      2.00000
     42     -26.4462      2.00000
     43     -26.4447      2.00000
     44     -26.4406      2.00000
     45     -26.4207      2.00000
     46     -26.4112      2.00000
     47     -26.4058      2.00000
     48     -26.4022      2.00000
     49     -26.3999      2.00000
     50     -26.3976      2.00000
     51     -26.3916      2.00000
     52     -26.3746      2.00000
     53     -26.3622      2.00000
     54     -26.3610      2.00000
     55     -26.3607      2.00000
     56     -26.3528      2.00000
     57     -26.3435      2.00000
     58     -26.3312      2.00000
     59     -26.3213      2.00000
     60     -26.3205      2.00000
     61     -26.3033      2.00000
     62     -26.2972      2.00000
     63     -26.2691      2.00000
     64     -26.2596      2.00000
     65     -26.2522      2.00000
     66     -26.2500      2.00000
     67     -26.2471      2.00000
     68     -26.2431      2.00000
     69     -26.2363      2.00000
     70     -26.2345      2.00000
     71     -26.1386      2.00000
     72     -26.1342      2.00000
     73     -23.2439      2.00000
     74     -23.2009      2.00000
     75     -23.1768      2.00000
     76     -23.1723      2.00000
     77     -23.1585      2.00000
     78     -23.1579      2.00000
     79     -23.1532      2.00000
     80     -23.1516      2.00000
     81     -23.1431      2.00000
     82     -23.1427      2.00000
     83     -23.1067      2.00000
     84     -23.1013      2.00000
     85     -23.0737      2.00000
     86     -23.0676      2.00000
     87     -23.0616      2.00000
     88     -23.0475      2.00000
     89     -23.0394      2.00000
     90     -23.0016      2.00000
     91     -22.9824      2.00000
     92     -22.9782      2.00000
     93     -22.9781      2.00000
     94     -22.9323      2.00000
     95     -22.9246      2.00000
     96     -22.8879      2.00000
     97     -22.7852      2.00000
     98     -22.7708      2.00000
     99     -22.7392      2.00000
    100     -22.7241      2.00000
    101     -22.7159      2.00000
    102     -22.7126      2.00000
    103     -22.6990      2.00000
    104     -22.6989      2.00000
    105     -22.6897      2.00000
    106     -22.6371      2.00000
    107     -22.6245      2.00000
    108     -22.6173      2.00000
    109     -22.6086      2.00000
    110     -22.6084      2.00000
    111     -22.5959      2.00000
    112     -22.5847      2.00000
    113     -22.5789      2.00000
    114     -22.5751      2.00000
    115     -22.5500      2.00000
    116     -22.5102      2.00000
    117     -22.4953      2.00000
    118     -22.4924      2.00000
    119     -22.4345      2.00000
    120     -22.4037      2.00000
    121     -20.4996      2.00000
    122     -20.4340      2.00000
    123     -20.4282      2.00000
    124     -20.4187      2.00000
    125     -20.4044      2.00000
    126     -20.3967      2.00000
    127     -20.3627      2.00000
    128     -20.3544      2.00000
    129     -20.3539      2.00000
    130     -20.3410      2.00000
    131     -20.3397      2.00000
    132     -20.3264      2.00000
    133     -20.3240      2.00000
    134     -20.2963      2.00000
    135     -20.2900      2.00000
    136     -20.2845      2.00000
    137     -20.2765      2.00000
    138     -20.2672      2.00000
    139     -20.2489      2.00000
    140     -20.1704      2.00000
    141     -20.1223      2.00000
    142     -20.1094      2.00000
    143     -20.1056      2.00000
    144     -20.0753      2.00000
    145     -18.6786      2.00000
    146     -18.5765      2.00000
    147     -18.5739      2.00000
    148     -18.5725      2.00000
    149     -18.5093      2.00000
    150     -18.5042      2.00000
    151     -18.5019      2.00000
    152     -18.4971      2.00000
    153     -18.4873      2.00000
    154     -18.4286      2.00000
    155     -18.4183      2.00000
    156     -18.4020      2.00000
    157     -18.3667      2.00000
    158     -18.3051      2.00000
    159     -18.2769      2.00000
    160     -18.2637      2.00000
    161     -18.2413      2.00000
    162     -18.2313      2.00000
    163     -18.2234      2.00000
    164     -18.2070      2.00000
    165     -18.1852      2.00000
    166     -18.1669      2.00000
    167     -18.1461      2.00000
    168     -18.0690      2.00000
    169     -17.9526      2.00000
    170     -17.9287      2.00000
    171     -17.9199      2.00000
    172     -17.8998      2.00000
    173     -17.8787      2.00000
    174     -17.8661      2.00000
    175     -17.8427      2.00000
    176     -17.8406      2.00000
    177     -17.8181      2.00000
    178     -17.7892      2.00000
    179     -17.7749      2.00000
    180     -17.7634      2.00000
    181     -17.6049      2.00000
    182     -17.5742      2.00000
    183     -17.5576      2.00000
    184     -17.5367      2.00000
    185     -17.5293      2.00000
    186     -17.5143      2.00000
    187     -17.5010      2.00000
    188     -17.4910      2.00000
    189     -17.4869      2.00000
    190     -17.4678      2.00000
    191     -17.4510      2.00000
    192     -17.4386      2.00000
    193     -16.7799      2.00000
    194     -16.7584      2.00000
    195     -16.7250      2.00000
    196     -16.7203      2.00000
    197     -16.6878      2.00000
    198     -16.6625      2.00000
    199     -16.6205      2.00000
    200     -16.6160      2.00000
    201     -16.5753      2.00000
    202     -16.5437      2.00000
    203     -16.5117      2.00000
    204     -16.4955      2.00000
    205     -16.1884      2.00000
    206     -16.1842      2.00000
    207     -16.1635      2.00000
    208     -16.1362      2.00000
    209     -16.0991      2.00000
    210     -16.0764      2.00000
    211     -16.0253      2.00000
    212     -15.9973      2.00000
    213     -15.9704      2.00000
    214     -15.9373      2.00000
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   1350       3.0377     -0.00000
   1351       3.0507     -0.00000
   1352       3.0573     -0.00000
   1353       3.0824     -0.00000
   1354       3.0993     -0.00000
   1355       3.1238     -0.00000
   1356       3.1475     -0.00000
   1357       3.1576     -0.00000
   1358       3.1622     -0.00000
   1359       3.1749     -0.00000
   1360       3.2146     -0.00000
   1361       3.2417     -0.00000
   1362       3.2869     -0.00000
   1363       3.4130     -0.00000
   1364       3.5146     -0.00000
   1365       3.5336     -0.00000
   1366       3.5872     -0.00000
   1367       3.6416     -0.00000
   1368       3.6864     -0.00000
   1369       3.7021     -0.00000
   1370       3.7547     -0.00000
   1371       3.7756     -0.00000
   1372       3.7984     -0.00000
   1373       3.8425     -0.00000
   1374       3.8530      0.00000
   1375       3.8686      0.00000
   1376       3.8814      0.00000
   1377       3.9069      0.00000
   1378       3.9184      0.00000
   1379       3.9242      0.00000
   1380       3.9402      0.00000
   1381       3.9482      0.00000
   1382       3.9620      0.00000
   1383       3.9701      0.00000
   1384       3.9794      0.00000
   1385       3.9967      0.00000
   1386       4.0072      0.00000
   1387       4.0175      0.00000
   1388       4.0275      0.00000
   1389       4.0342      0.00000
   1390       4.0526      0.00000
   1391       4.0570      0.00000
   1392       4.0825      0.00000
   1393       4.0927      0.00000
   1394       4.0949      0.00000
   1395       4.1065      0.00000
   1396       4.1172      0.00000
   1397       4.1451      0.00000
   1398       4.1544      0.00000
   1399       4.1697      0.00000
   1400       4.1842      0.00000
   1401       4.1891      0.00000
   1402       4.1985      0.00000
   1403       4.2169      0.00000
   1404       4.2269      0.00000
   1405       4.2391      0.00000
   1406       4.2523      0.00000
   1407       4.2602      0.00000
   1408       4.2946      0.00000
   1409       4.2995      0.00000
   1410       4.3160      0.00000
   1411       4.3287      0.00000
   1412       4.3429      0.00000
   1413       4.3497      0.00000
   1414       4.3650      0.00000
   1415       4.3781      0.00000
   1416       4.3884      0.00000
   1417       4.4104      0.00000
   1418       4.4159      0.00000
   1419       4.4309      0.00000
   1420       4.4355      0.00000
   1421       4.4405      0.00000
   1422       4.4601      0.00000
   1423       4.4824      0.00000
   1424       4.5026      0.00000
   1425       4.5152      0.00000
   1426       4.5219      0.00000
   1427       4.5403      0.00000
   1428       4.5600      0.00000
   1429       4.5864      0.00000
   1430       4.6093      0.00000
   1431       4.6291      0.00000
   1432       4.6417      0.00000
   1433       4.6697      0.00000
   1434       4.7029      0.00000
   1435       4.7225      0.00000
   1436       4.7686      0.00000
   1437       4.7751      0.00000
   1438       4.7857      0.00000
   1439       4.8189      0.00000
   1440       4.8354      0.00000
   1441       4.8570      0.00000
   1442       4.8692      0.00000
   1443       4.9065      0.00000
   1444       4.9137      0.00000
   1445       4.9272      0.00000
   1446       4.9413      0.00000
   1447       4.9504      0.00000
   1448       4.9743      0.00000
   1449       4.9998      0.00000
   1450       5.0064      0.00000
   1451       5.0407      0.00000
   1452       5.0472      0.00000
   1453       5.0591      0.00000
   1454       5.0787      0.00000
   1455       5.0845      0.00000
   1456       5.1013      0.00000
   1457       5.1368      0.00000
   1458       5.1455      0.00000
   1459       5.1505      0.00000
   1460       5.1775      0.00000
   1461       5.1886      0.00000
   1462       5.2018      0.00000
   1463       5.2247      0.00000
   1464       5.2369      0.00000
   1465       5.2455      0.00000
   1466       5.2552      0.00000
   1467       5.2630      0.00000
   1468       5.2701      0.00000
   1469       5.2849      0.00000
   1470       5.3021      0.00000
   1471       5.3084      0.00000
   1472       5.3174      0.00000
   1473       5.3292      0.00000
   1474       5.3361      0.00000
   1475       5.3451      0.00000
   1476       5.3496      0.00000
   1477       5.3677      0.00000
   1478       5.3731      0.00000
   1479       5.3838      0.00000
   1480       5.3870      0.00000
   1481       5.4059      0.00000
   1482       5.4096      0.00000
   1483       5.4110      0.00000
   1484       5.4231      0.00000
   1485       5.4324      0.00000
   1486       5.4399      0.00000
   1487       5.4562      0.00000
   1488       5.4643      0.00000
   1489       5.4707      0.00000
   1490       5.4881      0.00000
   1491       5.4912      0.00000
   1492       5.4954      0.00000
   1493       5.5069      0.00000
   1494       5.5112      0.00000
   1495       5.5121      0.00000
   1496       5.5259      0.00000
   1497       5.5359      0.00000
   1498       5.5438      0.00000
   1499       5.5530      0.00000
   1500       5.5571      0.00000
   1501       5.5631      0.00000
   1502       5.5702      0.00000
   1503       5.5837      0.00000
   1504       5.5925      0.00000
   1505       5.5983      0.00000
   1506       5.6165      0.00000
   1507       5.6175      0.00000
   1508       5.6205      0.00000
   1509       5.6295      0.00000
   1510       5.6454      0.00000
   1511       5.6558      0.00000
   1512       5.6645      0.00000
   1513       5.6718      0.00000
   1514       5.6822      0.00000
   1515       5.6997      0.00000
   1516       5.7198      0.00000
   1517       5.7205      0.00000
   1518       5.7249      0.00000
   1519       5.7280      0.00000
   1520       5.7356      0.00000
   1521       5.7463      0.00000
   1522       5.7593      0.00000
   1523       5.7609      0.00000
   1524       5.7721      0.00000
   1525       5.7867      0.00000
   1526       5.7974      0.00000
   1527       5.8073      0.00000
   1528       5.8256      0.00000
   1529       5.8305      0.00000
   1530       5.8376      0.00000
   1531       5.8472      0.00000
   1532       5.8552      0.00000
   1533       5.8665      0.00000
   1534       5.8732      0.00000
   1535       5.8825      0.00000
   1536       5.8951      0.00000
   1537       5.8987      0.00000
   1538       5.9012      0.00000
   1539       5.9199      0.00000
   1540       5.9273      0.00000
   1541       5.9448      0.00000
   1542       5.9519      0.00000
   1543       5.9634      0.00000
   1544       5.9769      0.00000
   1545       5.9814      0.00000
   1546       5.9877      0.00000
   1547       5.9898      0.00000
   1548       6.0030      0.00000
   1549       6.0198      0.00000
   1550       6.0266      0.00000
   1551       6.0332      0.00000
   1552       6.0377      0.00000
   1553       6.0479      0.00000
   1554       6.0610      0.00000
   1555       6.0733      0.00000
   1556       6.0766      0.00000
   1557       6.0805      0.00000
   1558       6.0950      0.00000
   1559       6.1017      0.00000
   1560       6.1059      0.00000
   1561       6.1112      0.00000
   1562       6.1278      0.00000
   1563       6.1336      0.00000
   1564       6.1433      0.00000
   1565       6.1486      0.00000
   1566       6.1577      0.00000
   1567       6.1770      0.00000
   1568       6.1837      0.00000
   1569       6.1942      0.00000
   1570       6.2016      0.00000
   1571       6.2154      0.00000
   1572       6.2194      0.00000
   1573       6.2273      0.00000
   1574       6.2357      0.00000
   1575       6.2426      0.00000
   1576       6.2621      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.087  13.411  -0.001   0.001  -0.000   0.002  -0.004   0.001
 13.411  17.830  -0.001   0.002  -0.000   0.003  -0.006   0.001
 -0.001  -0.001  -4.232   0.003   0.000   8.278  -0.004  -0.001
  0.001   0.002   0.003  -4.232   0.001  -0.004   8.277  -0.001
 -0.000  -0.000   0.000   0.001  -4.225  -0.001  -0.001   8.268
  0.002   0.003   8.278  -0.004  -0.001 -18.319   0.007   0.001
 -0.004  -0.006  -0.004   8.277  -0.001   0.007 -18.316   0.000
  0.001   0.001  -0.001  -0.001   8.268   0.001   0.000 -18.310
 total augmentation occupancy for first ion, spin component:           1
  8.476  -3.820   0.167   0.141  -0.058   0.021   0.026  -0.009
 -3.820   1.794  -0.086  -0.096   0.035  -0.009  -0.016   0.005
  0.167  -0.086   1.784  -0.057  -0.033   0.169  -0.011  -0.006
  0.141  -0.096  -0.057   1.898  -0.100  -0.011   0.177  -0.014
 -0.058   0.035  -0.033  -0.100   1.228  -0.006  -0.014   0.081
  0.021  -0.009   0.169  -0.011  -0.006   0.018  -0.002  -0.001
  0.026  -0.016  -0.011   0.177  -0.014  -0.002   0.018  -0.002
 -0.009   0.005  -0.006  -0.014   0.081  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -48651.08891 82619.62094 18217.69542 -9133.53398  6131.96790 17438.83430
  Hartree  7113.66508109561.47327 56043.68715 -9562.97373  4089.55206 11655.01015
  E(xc)  -10736.48152-10588.56401-10630.89186     2.64734     8.38125    33.88850
  Local    8112.01262************************ 18693.94065-10237.33319-28471.37110
  n-local -5843.56525 -5984.25077 -6039.88996     6.64703    16.32763   -67.86690
  augment  1492.36314  1535.27246  1487.11269     4.42272    12.50893    -4.34477
  Kinetic 45476.05912 43268.95830 43676.24586   -35.81492   -71.62604  -589.68776
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -129.1769968   -382.5338334   -147.6967002    -24.6648790    -50.2214600     -5.5375836
  in kB      -21.5412982    -63.7905787    -24.6296070     -4.1130660     -8.3748304     -0.9234364
  external PRESSURE =     -36.6538279 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.215E+03 -.104E+03 0.235E+03   0.215E+03 0.105E+03 -.237E+03   -.198E+00 -.440E+00 0.147E+01   0.175E-02 0.206E-02 0.596E-03
   -.173E+03 -.130E+03 0.538E+02   0.172E+03 0.131E+03 -.535E+02   0.169E+00 -.133E+01 -.295E+00   0.107E-02 0.289E-02 0.228E-02
   -.139E+03 -.119E+03 0.505E+01   0.138E+03 0.121E+03 -.343E+01   0.355E+00 -.134E+01 -.159E+01   0.120E-02 0.154E-02 0.249E-02
   -.201E+03 -.895E+02 0.323E+03   0.201E+03 0.894E+02 -.326E+03   -.283E+00 0.117E-01 0.253E+01   0.270E-02 0.982E-03 0.126E-02
   -.154E+03 -.142E+03 0.289E+03   0.154E+03 0.143E+03 -.290E+03   0.353E-01 -.730E+00 0.115E+01   0.314E-02 0.738E-03 0.221E-02
   -.127E+03 -.107E+03 0.168E+03   0.127E+03 0.108E+03 -.169E+03   0.160E+00 -.186E+00 0.204E+00   0.208E-02 0.123E-02 0.248E-02
   -.215E+03 -.126E+03 0.163E+03   0.215E+03 0.131E+03 -.164E+03   0.480E+00 -.438E+01 0.954E+00   0.209E-02 0.277E-02 -.163E-02
   -.169E+03 -.101E+03 0.305E+02   0.169E+03 0.105E+03 -.325E+02   -.426E+00 -.413E+01 0.214E+01   0.372E-03 0.445E-02 0.339E-02
   -.889E+02 0.338E+01 0.196E+03   0.888E+02 -.334E+01 -.197E+03   0.818E-01 -.687E-01 0.247E+00   0.252E-02 0.863E-03 0.198E-02
   -.704E+02 0.893E+02 0.596E+02   0.701E+02 -.911E+02 -.585E+02   0.474E+00 0.169E+01 -.109E+01   0.235E-02 -.161E-03 0.171E-02
   -.734E+02 0.102E+03 0.126E+03   0.731E+02 -.103E+03 -.126E+03   0.254E+00 0.130E+01 0.156E+00   0.298E-02 -.130E-02 0.119E-02
   -.894E+02 -.584E+01 0.326E+03   0.895E+02 0.548E+01 -.327E+03   -.158E+00 0.125E+00 0.125E+01   0.322E-02 0.128E-02 0.136E-02
   -.960E+02 -.499E+02 0.353E+03   0.963E+02 0.510E+02 -.355E+03   -.205E+00 -.114E+01 0.223E+01   0.329E-02 0.153E-03 0.422E-04
   -.943E+02 0.151E+02 0.291E+03   0.943E+02 -.152E+02 -.293E+03   -.369E-01 0.156E-03 0.148E+01   0.338E-02 -.131E-02 0.123E-03
   -.868E+02 0.921E+02 0.256E+03   0.862E+02 -.957E+02 -.259E+03   0.772E+00 0.388E+01 0.256E+01   0.373E-02 -.373E-02 0.389E-04
   -.663E+02 0.112E+03 0.936E+02   0.660E+02 -.115E+03 -.967E+02   0.216E+00 0.304E+01 0.364E+01   0.313E-02 -.312E-02 0.219E-02
   -.546E+02 0.925E+02 0.414E+02   0.552E+02 -.877E+02 -.369E+02   -.576E+00 -.452E+01 -.446E+01   0.438E-02 -.346E-02 0.115E-02
   0.127E+02 0.196E+03 -.155E+03   -.132E+02 -.198E+03 0.158E+03   0.688E+00 0.190E+01 -.225E+01   0.380E-02 -.325E-02 0.196E-02
   0.380E+02 0.152E+03 -.199E+03   -.383E+02 -.152E+03 0.201E+03   0.316E+00 0.187E+00 -.189E+01   0.362E-02 -.234E-02 0.209E-02
   -.590E+02 0.919E+02 0.174E+03   0.601E+02 -.910E+02 -.177E+03   -.111E+01 -.956E+00 0.331E+01   0.506E-02 -.219E-02 0.125E-02
   0.936E+01 0.564E+02 0.551E+01   -.105E+02 -.580E+02 -.442E+01   0.114E+01 0.137E+01 -.147E+01   0.503E-02 -.116E-02 0.172E-02
   0.277E+02 0.105E+02 -.121E+03   -.278E+02 -.107E+02 0.122E+03   0.627E-01 0.229E+00 -.865E+00   0.393E-02 -.115E-02 0.187E-02
   -.527E+01 -.420E+02 -.164E+03   0.574E+01 0.420E+02 0.164E+03   -.441E+00 -.336E+00 0.453E+00   0.304E-02 -.864E-03 0.164E-02
   -.210E+02 -.807E+02 -.220E+03   0.221E+02 0.825E+02 0.219E+03   -.107E+01 -.179E+01 0.105E+01   0.141E-02 -.626E-03 0.190E-02
   -.586E-01 -.163E+03 -.322E+03   -.538E+00 0.164E+03 0.324E+03   0.558E+00 -.750E+00 -.170E+01   0.979E-03 -.764E-03 0.165E-02
   -.881E+02 -.160E+03 -.147E+03   0.894E+02 0.160E+03 0.146E+03   -.130E+01 -.739E-01 0.152E+01   0.420E-02 -.564E-03 0.133E-02
   -.832E+02 -.270E+03 -.178E+03   0.838E+02 0.271E+03 0.178E+03   -.492E+00 -.835E+00 0.481E+00   0.382E-02 -.153E-03 0.115E-02
   -.296E+02 -.262E+03 -.273E+03   0.296E+02 0.263E+03 0.273E+03   -.968E-02 -.116E+01 -.325E+00   0.268E-02 -.388E-03 0.135E-02
   -.413E+02 -.277E+02 -.210E+03   0.471E+02 0.356E+02 0.205E+03   -.597E+01 -.794E+01 0.479E+01   -.293E-04 -.903E-03 0.272E-02
   -.220E+01 0.489E+02 0.181E+02   -.232E+01 -.574E+02 -.132E+02   0.436E+01 0.851E+01 -.508E+01   0.546E-02 -.170E-02 0.314E-02
   -.164E+03 -.170E+02 -.535E+02   0.165E+03 0.171E+02 0.551E+02   -.141E+00 -.112E+00 -.161E+01   -.113E-02 0.736E-03 0.104E-02
   -.104E+03 -.138E+03 0.133E+03   0.104E+03 0.139E+03 -.133E+03   0.128E+00 -.131E+01 -.307E+00   -.123E-02 0.691E-03 0.113E-02
   -.112E+03 -.152E+03 0.190E+03   0.111E+03 0.154E+03 -.191E+03   0.475E+00 -.168E+01 0.104E+01   -.731E-03 0.124E-03 0.628E-03
   -.264E+03 0.181E+02 -.181E+03   0.264E+03 -.195E+02 0.184E+03   -.256E+00 0.149E+01 -.235E+01   0.604E-03 0.282E-03 0.241E-03
   -.264E+03 -.533E+02 -.187E+03   0.264E+03 0.535E+02 0.189E+03   -.214E+00 -.409E-01 -.116E+01   0.127E-02 0.495E-05 -.194E-03
   -.177E+03 -.704E+02 0.769E+01   0.177E+03 0.702E+02 -.766E+01   0.300E+00 0.119E+00 -.543E-01   0.237E-03 -.434E-03 0.746E-04
   -.825E+02 -.509E+02 -.272E+02   0.833E+02 0.544E+02 0.299E+02   -.833E+00 -.406E+01 -.255E+01   -.248E-02 0.175E-02 0.163E-02
   -.572E+02 -.132E+03 0.100E+03   0.571E+02 0.135E+03 -.966E+02   -.214E-01 -.312E+01 -.371E+01   -.194E-02 0.117E-02 0.123E-02
   -.151E+03 0.493E+02 0.154E+02   0.151E+03 -.495E+02 -.155E+02   0.947E-01 0.347E+00 -.304E-01   0.509E-03 -.110E-02 -.422E-03
   -.731E+02 0.508E+02 0.218E+03   0.728E+02 -.521E+02 -.220E+03   0.278E+00 0.120E+01 0.170E+01   -.147E-03 -.143E-02 -.579E-03
   -.472E+02 0.705E+02 0.137E+03   0.470E+02 -.720E+02 -.138E+03   0.195E+00 0.149E+01 0.281E+00   -.425E-03 -.293E-02 -.796E-03
   -.189E+03 0.978E+02 -.210E+03   0.189E+03 -.987E+02 0.211E+03   -.157E-01 0.841E+00 -.870E+00   0.141E-02 -.924E-03 -.877E-04
   -.162E+03 0.535E+02 -.281E+03   0.162E+03 -.537E+02 0.283E+03   -.328E+00 0.128E+00 -.223E+01   0.101E-02 -.177E-02 0.381E-03
   -.892E+02 0.552E+02 -.125E+03   0.895E+02 -.559E+02 0.126E+03   -.191E+00 0.701E+00 -.132E+01   -.140E-03 -.266E-02 0.647E-03
   -.442E+02 0.950E+02 -.614E+02   0.442E+02 -.997E+02 0.619E+02   -.110E+00 0.457E+01 -.493E+00   -.115E-02 -.357E-02 0.160E-02
   -.992E+01 0.767E+02 0.144E+03   0.956E+01 -.812E+02 -.143E+03   0.316E+00 0.451E+01 -.197E+01   -.111E-02 -.414E-02 -.282E-02
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   0.298E+03 0.268E+03 -.722E+02   -.345E+03 -.285E+03 0.521E+02   0.470E+02 0.167E+02 0.200E+02   -.278E-02 0.160E-02 -.658E-04
   -.204E+03 0.429E+03 -.573E+02   0.234E+03 -.473E+03 0.633E+02   -.301E+02 0.436E+02 -.628E+01   -.189E-02 0.103E-02 0.501E-03
   -.123E+03 -.414E+03 -.175E+03   0.132E+03 0.467E+03 0.181E+03   -.864E+01 -.532E+02 -.645E+01   -.412E-02 0.281E-02 0.145E-02
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   0.472E+03 0.399E+03 -.170E+03   -.510E+03 -.434E+03 0.173E+03   0.384E+02 0.347E+02 -.365E+01   -.300E-02 0.465E-02 0.210E-02
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   -.564E+02 0.133E+03 -.495E+02   0.565E+02 -.165E+03 0.906E+02   -.552E-01 0.319E+02 -.413E+02   0.217E-02 0.586E-03 -.217E-02
   0.775E+03 -.172E+03 0.840E+02   -.817E+03 0.204E+03 -.101E+03   0.418E+02 -.317E+02 0.169E+02   -.112E-01 0.471E-02 0.159E-02
   0.190E+03 0.287E+03 0.252E+03   -.169E+03 -.303E+03 -.295E+03   -.214E+02 0.169E+02 0.433E+02   -.683E-02 0.230E-02 -.194E-02
   0.624E+03 0.402E+03 0.170E+03   -.649E+03 -.444E+03 -.149E+03   0.251E+02 0.422E+02 -.206E+02   -.821E-02 0.232E-02 -.118E-02
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   0.237E+03 0.136E+03 0.174E+03   -.267E+03 -.141E+03 -.219E+03   0.292E+02 0.506E+01 0.454E+02   0.102E-01 -.394E-02 0.127E-02
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   0.986E+02 -.417E+03 -.256E+03   -.112E+03 0.440E+03 0.299E+03   0.134E+02 -.226E+02 -.431E+02   -.433E-02 -.399E-02 -.112E-02
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   -.828E+02 0.177E+03 0.454E+03   0.123E+03 -.205E+03 -.471E+03   -.407E+02 0.281E+02 0.171E+02   0.343E-02 -.564E-02 0.168E-02
   0.291E+03 0.335E+03 0.450E+03   -.332E+03 -.365E+03 -.448E+03   0.407E+02 0.304E+02 -.132E+01   0.870E-02 -.461E-02 0.180E-02
 -----------------------------------------------------------------------------------------------
   0.384E+02 0.103E+02 -.222E+02   -.625E-12 -.335E-11 0.841E-11   -.380E+02 -.103E+02 0.222E+02   -.310E+00 0.974E-02 0.509E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.22429      3.15281      1.34467        -0.015998      0.235715     -0.027267
     12.98035      3.60269      2.63872        -0.067960     -0.068645      0.035912
     12.90444      4.96537      2.94691        -0.016942     -0.095443      0.028423
     13.29349      4.06380      0.29427         0.035568     -0.069751      0.059980
     13.18122      5.42581      0.58834         0.033971      0.132087      0.083573
     13.04651      5.92839      1.91206         0.060927     -0.040886     -0.075260
     13.33231      1.67278      1.35223         0.123257     -0.014897     -0.160988
     12.78615      2.39178      3.50078         0.102768     -0.024982      0.142664
     13.11418      7.40651      2.19750         0.008954     -0.030026     -0.014495
     13.09856      7.91095      3.52424         0.105741     -0.062184      0.000323
     13.31365      9.26882      3.74197        -0.006955      0.076289      0.132373
     13.28372      8.35745      1.15252        -0.035515     -0.234865      0.000039
     13.48819      9.72022      1.38665         0.051866     -0.087408     -0.074197
     13.51963     10.16251      2.70082         0.015489     -0.120958     -0.112846
     13.76814     11.51344      3.24783         0.127834      0.275401      0.034504
     13.39136     10.03960      5.01669        -0.010708     -0.186089      0.603405
     13.74420     12.49163      5.60469         0.009705      0.307411      0.004274
     13.48119     12.34211      6.97473         0.152291      0.060558     -0.128120
     13.56751     13.43763      7.83365        -0.029249     -0.079495     -0.024263
     14.09653     13.78505      5.17877         0.024160      0.011645     -0.037079
     14.17284     14.88264      6.06106         0.017608     -0.212252     -0.383692
     13.87371     14.75806      7.45252         0.009465      0.057523      0.191649
     13.92322     15.88199      8.47973         0.031360     -0.312744     -0.115684
     13.20095     15.96222      9.71852         0.018420     -0.065667     -0.012493
     13.25804     17.12644     10.49834        -0.037740      0.041283      0.073689
     14.76295     16.98058      8.22309         0.020749     -0.038142      0.011605
     14.77042     18.15357      8.96440         0.067299     -0.001951      0.252114
     13.99139     18.24141     10.10842        -0.057927      0.110613      0.098051
     12.38048     14.85229     10.33652        -0.173057     -0.066731      0.039609
     14.73159     16.11051      5.36266        -0.153434     -0.065511     -0.111380
      9.89707      3.83694      4.65655         0.068515      0.038350      0.022482
      9.70408      4.75714      3.63162        -0.002773      0.083269     -0.141553
      9.70852      6.14308      3.87661         0.011917      0.022868     -0.113328
     10.21483      4.27535      5.93783         0.063072      0.089699      0.104236
     10.30648      5.65090      6.16729         0.022445      0.096113     -0.024258
     10.01504      6.63120      5.17788         0.001346     -0.069583     -0.027137
      9.72496      2.45707      4.12710        -0.091611     -0.538554      0.125659
      9.56608      3.97278      2.35029        -0.037238     -0.124009      0.019271
     10.05685      8.09869      5.54631         0.024935      0.107293     -0.125730
     10.05716      9.15380      4.59099         0.045634     -0.069033     -0.141249
     10.15046     10.48159      5.01963         0.046173      0.066935     -0.102153
     10.10938      8.49673      6.90811         0.047906     -0.053353     -0.064520
     10.19750      9.82961      7.33178        -0.130609     -0.068212      0.013207
     10.21721     10.82987      6.36615         0.050090      0.001217     -0.014644
     10.29058     12.31637      6.48839        -0.083763     -0.133437      0.026897
     10.23116     11.74694      4.22464        -0.045959      0.085965     -0.260181
     10.68862     14.19535      4.80684        -0.009914      0.257794      0.137089
     11.23839     14.53746      3.56912        -0.049405     -0.026391     -0.051025
     11.60290     15.85464      3.28509         0.118026     -0.038996      0.053539
     10.54430     15.26560      5.71472         0.059651     -0.093916      0.088761
     10.96162     16.58657      5.44407         0.089412     -0.063769     -0.170681
     11.54416     16.95586      4.16457         0.042415      0.038105     -0.016671
     12.07268     18.32611      3.70335        -0.014535      0.010549     -0.037017
     12.69864     18.71149      2.44501        -0.040818      0.085120      0.083817
     12.98873     20.06098      2.16677         0.012127     -0.008156      0.040667
     11.93248     19.43366      4.56595         0.068693      0.085991     -0.090001
     12.22986     20.76977      4.29301        -0.119400     -0.072956      0.028601
     12.73612     21.13146      3.04658         0.009835     -0.288849     -0.106725
     13.21234     17.81595      1.30882         0.225568      0.000175     -0.015057
     10.76884     17.50504      6.64327         0.062636      0.011804     -0.027760
     10.68318      7.06073     14.87886        -0.003359      0.294339     -0.079171
     10.62409      7.49667     16.20267        -0.032894      0.042067     -0.133023
     10.63761      8.86790     16.52229        -0.073032     -0.402621      0.144505
     10.68600      7.98692     13.83476        -0.033291     -0.191485      0.049402
     10.64644      9.34244     14.15549         0.111090      0.107424      0.085582
     10.66410      9.83470     15.49055         0.019898      0.093883     -0.334022
     10.63604      5.57774     14.83219        -0.005556      0.019115      0.120201
     10.45726      6.26575     17.05608        -0.022906     -0.084654      0.610537
     10.70146     11.32772     15.72943        -0.042803     -0.190351     -0.044238
     10.76704     11.90921     17.02281         0.061450      0.063751      0.004958
     10.82470     13.29978     17.13504         0.008110      0.161024      0.072246
     10.68907     12.21732     14.62080        -0.008557     -0.140159      0.097993
     10.78220     13.60242     14.74398         0.079600      0.052088      0.049759
     10.85314     14.13891     16.02152         0.012772     -0.070143      0.051948
     10.94059     15.55411     16.46674         0.058492      0.272478     -0.094054
     10.85096     14.17496     18.34882         0.090596     -0.098728      0.544468
     10.80770     16.70264     18.72240         0.179954      0.143788     -0.061160
     10.05545     16.70679     19.88715         0.007032      0.155852     -0.029913
      9.86806     17.88610     20.61057        -0.074735      0.038208      0.044090
     11.42824     17.91886     18.39259        -0.076640     -0.045541      0.014857
     11.28306     19.09591     19.15786        -0.158988     -0.046477      0.080444
     10.42717     19.15190     20.33871         0.052426     -0.077230     -0.060984
     10.08860     20.33971      0.02437        -0.022064      0.005947     -0.058886
      9.35581     20.29830      1.27589        -0.086193      0.085755      0.221549
      9.16965      0.18709      2.08436        -0.037419      0.019871      0.234429
     10.48825      0.40498     20.98125         0.163754     -0.015139     -0.014570
     10.34645      1.53257      0.54623        -0.143819      0.054534     -0.020630
      9.69090      1.45818      1.78188         0.074831     -0.237475     -0.188705
      8.70132     19.07379      1.91047        -0.008447      0.104852      0.138295
     12.15840     20.21421     18.61996         0.125319      0.039318     -0.106367
      7.32561      7.66723     17.27619         0.137217      0.203773     -0.022191
      7.10343      8.58716     16.25237         0.104224     -0.052269     -0.090092
      7.05811      9.96620     16.51050         0.050473      0.054238      0.026476
      7.64456      8.09874     18.55666        -0.024179      0.033439      0.026222
      7.66959      9.47457     18.79812         0.038875      0.069566     -0.006103
      7.32980     10.45300     17.82336        -0.029723      0.000111      0.026419
      7.22766      6.28957     16.74518        -0.089863     -0.194822      0.159933
      7.03845      7.78967     14.97007        -0.078108      0.015620     -0.143276
      7.28433     11.92129     18.22602        -0.024223     -0.003821     -0.038166
      7.08689     13.00214     17.31927         0.009965      0.015459     -0.116238
      7.10525     14.32404     17.78590         0.017695      0.135074     -0.038673
      7.45326     12.28489     19.59103         0.021784     -0.160345     -0.137881
      7.42698     13.60077     20.05930        -0.121012      0.083484     -0.051211
      7.24518     14.63346     19.13990        -0.019785     -0.129872     -0.000014
      7.18561     16.11726     19.32153        -0.069331     -0.120906     -0.229670
      7.05243     15.63162     17.04017        -0.014699      0.190253     -0.242401
      7.51994     18.06975     17.71225        -0.105438      0.246368      0.010283
      8.38885     18.41779     16.67632         0.024206     -0.118157      0.023296
      8.80805     19.73981     16.50280         0.213100     -0.135275     -0.031377
      7.03910     19.15661     18.46682         0.078311     -0.138522      0.074281
      7.44045     20.49940     18.26510         0.174988     -0.022647     -0.140493
      8.42807     20.86306     17.26024        -0.141762      0.018950      0.054736
      9.04232      0.98576     16.92931         0.172380      0.085085     -0.136962
      9.86154      1.37960     15.78982        -0.160061     -0.151214      0.037988
     10.30820      2.70084     15.62284         0.064166      0.120212      0.071715
      8.82805      2.08527     17.78501         0.114635     -0.005044      0.031338
      9.26044      3.40445     17.60730         0.107318      0.195344      0.118957
     10.01977      3.76504     16.49061        -0.164441     -0.055904      0.184518
     10.39365      0.52239     14.63190        -0.296478      0.380453      0.109777
      6.71776      0.20333     19.19070        -0.003134     -0.021500      0.153905
      6.87697     10.80476      6.31976        -0.034435      0.148531     -0.069602
      6.88607     11.26903      7.63021         0.009274     -0.056805      0.080959
      6.93092     12.64106      7.93982         0.043117     -0.083891      0.120881
      6.92597     11.72804      5.27192        -0.049953     -0.071471      0.083965
      6.96927     13.09460      5.57836        -0.000178      0.108684      0.127482
      6.97166     13.61794      6.90479         0.006101     -0.020399     -0.076559
      6.87489      9.30816      6.31967         0.002319     -0.088830     -0.178025
      6.89192     10.05544      8.52427         0.027400      0.063318      0.193727
      7.04429     15.12760      7.14220         0.031693     -0.002082     -0.070712
      7.16612     15.73131      8.42617         0.063087     -0.006512      0.028973
      7.26821     17.12925      8.54544         0.051806     -0.036968     -0.028512
      7.05748     16.03181      6.03744         0.015809     -0.250720      0.052258
      7.16078     17.41912      6.16147        -0.084760     -0.028072      0.045987
      7.23364     17.96831      7.43577        -0.031874     -0.195516     -0.135179
      7.36637     19.38957      7.85531        -0.044336      0.275047     -0.189741
      7.53205     18.00334      9.73611         0.034641     -0.126968      0.435139
      7.75642     20.52060     10.10138         0.105259      0.211028      0.131031
      7.24652     20.51177     11.39580        -0.055783     -0.199466     -0.009100
      7.23158      0.40222     12.17721        -0.009524      0.005589     -0.092064
      8.42197      0.44739      9.73374         0.012533     -0.041250     -0.028319
      8.54859      1.56527     10.59734        -0.171532     -0.072871      0.003791
      7.82521      1.63318     11.86066         0.113063      0.110257     -0.134160
      7.59666      2.82435     12.80936         0.135078      0.060361     -0.373872
      6.97342      2.81320     14.10809        -0.251916      0.056613      0.390829
      6.77433      4.01582     14.82667        -0.055103     -0.154664      0.059790
      7.94980      4.13667     12.39415         0.107164     -0.110618      0.040808
      7.84914      5.30374     13.16529        -0.130730      0.152743      0.073694
      7.23693      5.27520     14.42644         0.099488     -0.292649     -0.095115
      6.34457      1.63373     14.88853        -0.109363      0.350898      0.246515
      9.57500      2.57453     10.09271         0.029928      0.157712      0.168537
      4.29352     11.57405     10.30394         0.075319      0.049482      0.121116
      4.08724     12.44211      9.24006        -0.038440     -0.004265     -0.092173
      4.27743     13.82344      9.37857        -0.057410     -0.043894     -0.049616
      4.76309     12.05305     11.52554        -0.075575      0.089630     -0.047932
      4.84176     13.43664     11.70194        -0.055937      0.129731     -0.089878
      4.56470     14.36457     10.65929        -0.014323     -0.082949      0.033948
      3.86820     10.20472      9.92591         0.031771     -0.100289      0.029083
      3.60008     11.61392      8.08287        -0.033287      0.070744     -0.409882
      4.52167     15.84398     10.94090        -0.037494      0.017703     -0.080943
      4.07781     16.78418      9.96673        -0.043006     -0.012949     -0.116889
      4.05093     18.14851     10.27712         0.076934      0.043938     -0.088882
      4.89821     16.35040     12.21294         0.032909     -0.181801     -0.079890
      4.78368     17.69748     12.54844        -0.030467     -0.064023      0.009683
      4.35998     18.57776     11.56380        -0.018958      0.071759      0.194821
      4.24618     20.04674     11.64980        -0.102672     -0.073073     -0.119110
      3.85043     19.38830      9.43193         0.174065     -0.006190      0.676460
      4.38148      0.60655      9.95177         0.096900      0.185493      0.086248
      4.95423      0.96825      8.73330        -0.038800     -0.038642     -0.125592
      5.49154      2.23932      8.57201         0.259744      0.261713      0.025495
      4.26163      1.65795     10.86564         0.014656      0.006318      0.048494
      4.72498      2.98438     10.65376         0.015424     -0.024962     -0.052670
      5.48159      3.33865      9.47247         0.010917      0.020344      0.114929
      6.11368      4.70538      9.04481        -0.115057     -0.147620     -0.160048
      6.57575      5.05388      7.71576        -0.131309      0.010390     -0.058602
      6.81486      6.38816      7.30939        -0.007888      0.023549     -0.050526
      6.14936      5.83589      9.89953        -0.014571      0.044665     -0.008336
      6.35095      7.17075      9.49148         0.066939      0.003980     -0.028991
      6.64949      7.50777      8.15528        -0.017136     -0.313381      0.122004
      6.79536      4.06162      6.57584         0.082859      0.086170      0.119829
      4.07780      3.79428     11.77494         0.041522      0.108336     -0.287656
      0.77093     14.06931      1.08285        -0.123066     -0.201379     -0.100118
      1.49909     14.50571      2.18452         0.013420     -0.049703     -0.087691
      1.54024     15.89406      2.47937        -0.091124     -0.009330     -0.009461
      0.17137     14.93734      0.18515         0.075888     -0.071617      0.057999
      0.31250     16.29757      0.42132        -0.030596      0.141978     -0.088464
      0.93119     16.83689      1.58312         0.035830      0.048924     -0.116550
      0.73340     12.59486      1.01817        -0.163143     -0.235229      0.074244
      2.12952     13.23280      2.77044         0.321725     -0.263581      0.359282
      0.90783     18.36761      1.72213        -0.069021      0.019618     -0.149832
      1.35021     19.11983      2.84459         0.077419      0.033045      0.151547
      1.25255     20.52729      2.84127        -0.012496      0.161464      0.048341
      0.38900     19.14403      0.63926        -0.084301     -0.096952     -0.002832
      0.23312     20.53050      0.66105        -0.002667      0.078859     -0.049214
      0.66820     -0.03741      1.78460        -0.043577     -0.112824     -0.057962
      0.61030      1.42026      2.06958        -0.083211      0.342977     -0.007821
      1.71187      0.31632      3.82427         0.122881      0.071490      0.322993
      1.33058      2.87755      4.04693         0.030060      0.152624      0.013439
      2.03881      2.98329      5.25168         0.019184     -0.152623      0.045640
      2.17611      4.20019      5.91213         0.040981      0.028273     -0.094679
      0.70411      4.07667      3.63115         0.038872     -0.109282     -0.008847
      0.77935      5.27682      4.38343        -0.174608     -0.115044     -0.356278
      1.59208      5.43076      5.54759         0.218185      0.179817      0.163488
      1.94813      6.70396      6.35715         0.155844     -0.173540      0.229292
      2.39875      6.71537      7.72642         0.104535      0.102660      0.047583
      2.84308      7.87972      8.37776         0.052646     -0.003374      0.174473
      2.00803      8.00990      5.80377        -0.007941      0.111630      0.078077
      2.46725      9.18090      6.44887         0.158825     -0.027031      0.091113
      2.91884      9.14938      7.78721         0.003029     -0.264884     -0.151457
      2.61952      5.51867      8.62967        -0.065724     -0.080329     -0.102127
     -0.05608      6.38724      3.79404        -0.064923     -0.006312      0.414846
      4.51606     14.15054      0.60208        -0.047820      0.326751     -0.005916
      3.94588     15.07592     -0.27371        -0.027763     -0.002332     -0.005990
      4.01463     16.46462     -0.04669        -0.167775      0.046997     -0.036565
      5.14225     14.62049      1.75805        -0.064873      0.021738     -0.163036
      5.14336     16.00388      2.00953        -0.001231     -0.011665      0.133187
      4.58765     16.99896      1.14633        -0.006142     -0.141531      0.140857
      4.30167     12.76937      0.07504         0.139112      0.060757      0.014954
      3.27821     14.28009     19.88541        -0.079003      0.182308     -0.270339
      4.61403     18.48881      1.57343         0.012317     -0.124391      0.051582
      4.15688     19.61486      0.82421        -0.075191      0.144377     -0.028191
      4.28671     20.92977      1.33538         0.036098      0.197654      0.065565
      5.13645     18.81013      2.85441         0.041505     -0.106407      0.039045
      5.31349     20.10384      3.35049        -0.033634      0.113647     -0.052424
      4.90889     21.17465      2.56034         0.062087      0.022397     -0.046058
      5.05567      1.39097      2.78905         0.205686      0.173014      0.194057
      3.84644      1.03437      0.81379        -0.037608     -0.025902     -0.084607
      4.05609      3.48750      1.68189         0.052907     -0.212876     -0.006118
      3.22018      4.04076      0.69958         0.010938      0.094554     -0.117734
      2.97789      5.41465      0.63876        -0.081350      0.242477      0.188583
      4.58963      4.42619      2.59015        -0.100688      0.051656     -0.084355
      4.22166      5.80089      2.60097         0.014846     -0.340131      0.009552
      3.37449      6.38347      1.60253         0.198847     -0.120651     -0.042170
      2.93109      7.85064      1.57194         0.190652      0.233956     -0.098934
      1.67467      8.38215      1.12114         0.226748     -0.055230     -0.294323
      1.32265      9.72771      1.32458        -0.044505     -0.012305     -0.116535
      3.77832      8.86872      2.08273        -0.197908      0.010018      0.081943
      3.40959     10.20739      2.33132         0.302443      0.126126     -0.081715
      2.15217     10.69471      1.93374        -0.229618     -0.121375     -0.122508
      0.67131      7.61446      0.25285        -0.147416     -0.136559      0.380491
      4.87689      6.49156      3.78870        -0.082904     -0.192545      0.033122
     18.01764     17.31722     13.93064         0.030063      0.284223      0.045517
     18.96890     17.79250     14.82994         0.090685      0.008581      0.022710
     19.18544     19.16527     15.03216         0.080664     -0.075819      0.027448
     17.33306     18.21958     13.11908        -0.039119      0.053577      0.055326
     17.61401     19.58551     13.24969         0.059318      0.049513      0.088705
     18.49124     20.11897     14.23462        -0.107178     -0.179116      0.055341
     17.99606     15.82891     13.98068        -0.130447      0.053554     -0.031330
     19.68884     16.59408     15.38123         0.336731      0.118636      0.397229
     18.62526      0.35463     14.41590         0.018619      0.108946      0.126179
     19.48089      0.94379     15.38431         0.101465      0.099694      0.182806
     19.51285      2.33690     15.54136         0.024936      0.054417      0.103448
     17.83821      1.26080     13.65315         0.056285     -0.134413      0.075325
     17.86935      2.64982     13.81590         0.002527      0.010136      0.061248
     18.71997      3.19104     14.77883        -0.114575     -0.161064     -0.022089
     18.94161      4.60292     15.21095         0.007818      0.120275     -0.012647
     20.30887      3.19007     16.48936         0.069671     -0.004393      0.117730
     20.51790      5.72278     16.86855        -0.155210      0.203458      0.154471
      0.58977      5.72839     17.26841         0.103614      0.220526      0.060758
      1.21184      6.90182     17.70482        -0.003817     -0.180126     -0.117772
     19.82823      6.92172     17.11069         0.126438      0.117570      0.094109
     20.42804      8.07383     17.68991        -0.166477     -0.215239     -0.229602
      0.58884      8.13792     17.95061         0.144194      0.230161      0.124362
      1.43846      9.32206     18.50193        -0.101804      0.009949     -0.236877
      2.79891      9.31960     19.01020         0.143694      0.072326     -0.124265
      3.40696     10.51702     19.46117        -0.193470      0.114864     -0.005451
      0.87811     10.62521     18.51085         0.123798     -0.135315      0.263752
      1.46504     11.78035     19.05137        -0.112941      0.303381     -0.204290
      2.77032     11.75865     19.55163        -0.014404     -0.165474      0.124412
      3.90606      8.24428     19.01461         0.154212     -0.051244      0.121509
     19.39659      9.15546     17.99786        -0.084699     -0.048406     -0.129893
      1.70713     18.33757     14.15078         0.034944      0.108091      0.030609
      1.03654     19.24543     13.33200        -0.227789     -0.142375     -0.087772
      1.08247     20.62163     13.55070         0.066344     -0.007565     -0.007546
      2.46496     18.78734     15.22432         0.055242      0.172855      0.073367
      2.51114     20.16224     15.46722        -0.120165      0.155464     -0.036827
      1.83298     21.10912     14.65546        -0.103030     -0.022081     -0.035981
      1.44093     16.95855     13.68248         0.063727     -0.046962     -0.093887
      0.28102     18.44838     12.31291        -0.388478      0.282009     -0.485092
      1.96642      1.30896     14.94070         0.064277      0.226815      0.043651
      1.46727      2.30089     14.06319        -0.173053      0.063462     -0.045949
      1.74311      3.64320     14.32162        -0.153313     -0.077264     -0.117528
      2.63553      1.77010     16.10515        -0.023560     -0.057722     -0.170789
      2.99101      3.10441     16.30531         0.014707     -0.068015      0.034300
      2.57964      4.03881     15.36104        -0.022732     -0.117875     -0.016557
      2.79344      5.50245     15.27164         0.381896      0.370756      0.308251
      1.22322      4.87297     13.65350         0.591091     -0.096626      0.735135
      1.42103      7.33252     14.21263         0.294831      0.291169      0.054468
      0.09965      7.63934     13.90619        -0.046190     -0.009987      0.105559
     20.89969      8.93910     14.06626        -0.010397      0.086273      0.046160
      2.24717      8.42215     14.54836         0.027269     -0.029163      0.093019
      1.78170      9.75154     14.66204        -0.076944     -0.219043      0.066067
      0.37688     10.07310     14.46919        -0.070400     -0.067456     -0.032866
     20.87807     11.39981     14.61653        -0.078198      0.092292     -0.016983
     19.47406     11.66701     14.30671         0.082757      0.152809      0.059801
     18.93277     12.96618     14.41719        -0.103552     -0.014042     -0.013157
      0.28125     12.56201     15.08330        -0.079423      0.016660      0.058976
     -0.25929     13.85185     15.16645        -0.040223     -0.106274     -0.103478
     19.67356     14.09986     14.80652        -0.136034     -0.301901     -0.031222
     18.37728     10.66726     13.91006        -0.192882      0.029123      0.122265
      2.89092     10.71220     15.06138        -0.124879      0.032960     -0.060567
     16.42942      0.42490      5.26525        -0.112907      0.126222     -0.036054
     16.95235      0.77817      6.50485        -0.038290     -0.012400     -0.000588
     16.83231      2.08930      7.00328         0.036909      0.047060      0.071727
     15.80384      1.36026      4.46528         0.009326      0.087472      0.055299
     15.73074      2.66961      4.93479         0.005716      0.182212      0.045657
     16.22276      3.09966      6.19966        -0.048727     -0.038998     -0.091215
     16.73901     20.27885      4.93997        -0.066199     -0.035907     -0.099697
     17.69233     20.82555      7.00231         0.137311     -0.084681      0.278244
     16.17493      4.59326      6.52102        -0.056210      0.012613     -0.092741
     16.65643      5.22996      7.70188         0.013706     -0.047607      0.018478
     16.69158      6.63668      7.76846        -0.094631      0.020768      0.083503
     15.67742      5.47065      5.51403         0.058967     -0.145161      0.015595
     15.75314      6.85994      5.57050        -0.044882      0.010395      0.010214
     16.27618      7.44492      6.71403        -0.121674     -0.130045     -0.037472
     16.51481      8.87669      7.02165        -0.005347      0.214081      0.041484
     17.20874      7.55752      8.83329         0.156261     -0.005185      0.575686
     17.62916     10.08705      8.96181         0.069548      0.264758      0.179779
     18.65497      9.99771      9.90202        -0.050796      0.045136      0.235568
     19.25118     11.13827     10.45321        -0.147716     -0.162291     -0.112508
     17.20528     11.40104      8.68390        -0.027014      0.003658     -0.077050
     17.83522     12.54825      9.22642        -0.101520     -0.189475     -0.061869
     18.94475     12.46865     10.13652         0.092347      0.116287      0.139908
     19.74783     13.61269     10.79021        -0.001852      0.014574     -0.058471
     21.07849     13.56321     11.34575         0.271837      0.004957      0.140603
      0.43080     14.70713     11.90669         0.158694     -0.113978      0.031616
     19.17782     14.90265     10.92679        -0.083637     -0.094097      0.146636
     19.79783     16.03701     11.45936         0.105773     -0.065853      0.074096
     21.09554     15.96409     11.97633        -0.046644     -0.150455     -0.164410
      0.86794     12.43956     11.32187        -0.137650      0.169565     -0.002722
     17.14800     13.82026      8.80654         0.091738      0.123218     -0.219248
     20.22710      1.53546      6.26258         0.120976      0.005952      0.062765
     19.62313      2.55562      5.51884         0.095455      0.031614      0.161068
     19.50624      3.84463      6.00431         0.003267     -0.101537      0.082159
     20.71691      1.78731      7.53618        -0.070737      0.294919      0.167559
     20.57452      3.08819      8.04788        -0.014648     -0.034250     -0.000208
     19.98994      4.14709      7.30134        -0.024798     -0.021180     -0.074240
     20.25838      0.29873      5.43866        -0.033080     -0.003349     -0.016388
     19.22923      2.00583      4.19581        -0.211014      0.108984     -0.389732
     20.00391      5.56745      7.75663        -0.097640      0.051621      0.047900
     19.54727      6.59229      6.89847        -0.050937     -0.123652     -0.113535
     19.87571      7.91288      7.17138        -0.094220      0.014497     -0.069968
     -0.72503      5.96885      9.00590        -0.051807     -0.000925      0.035906
     -0.44070      7.30464      9.29697         0.089854     -0.069839      0.066030
     20.57737      8.25649      8.30897         0.174847      0.282126      0.225030
     -0.29748      9.69410      8.21113        -0.636185     -0.765595     -0.653092
     19.63253      9.14734      6.37105         0.456783     -0.156932      0.597963
     20.27928     11.59026      6.64997         0.169602      0.324457      0.085617
     19.31356     12.03834      5.74102        -0.138549     -0.012860     -0.067910
     19.14182     13.39277      5.48150        -0.108882     -0.032447      0.062564
     21.14020     12.58672      7.17004         0.060086     -0.031872      0.075741
     20.98239     13.95524      6.86574        -0.029772     -0.167496      0.092069
     19.90397     14.42659      6.05248         0.015047      0.268242      0.014976
     19.44976     15.86310      5.87916         0.004424     -0.065085      0.117963
     18.75877     16.40859      4.75115        -0.099978      0.075302     -0.110823
     18.19078     17.69514      4.79644         0.024533     -0.040466     -0.044338
     19.55384     16.76215      6.97186        -0.049506     -0.001130     -0.069365
     19.02463     18.05370      7.00653        -0.017838     -0.091777      0.046192
     18.27082     18.53572      5.92779         0.086609     -0.146401     -0.040255
     18.48286     15.66679      3.44047         0.000991      0.022660      0.021127
      0.78306     14.86970      7.44377         0.042072      0.162877     -0.005897
     12.70989      5.26482      3.97891         0.051472     -0.024386     -0.023395
     13.41214      3.71611     20.52650         0.046039      0.045420     -0.038783
     13.20379      6.11791     21.00428         0.059025     -0.009357      0.050401
     12.95679      7.26201      4.38961        -0.011913     -0.019186     -0.045327
     13.27132      8.01944      0.11435         0.029245      0.030560      0.064768
     13.65089     10.41907      0.56889        -0.031407      0.029080     -0.131832
     13.44469     13.21517      8.88369        -0.079045     -0.044510      0.027615
     13.23132     11.36135      7.36206         0.033283     -0.043634      0.172238
     14.30424     13.95946      4.12064         0.024749     -0.121163      0.321140
     12.70258     17.16592     11.43577        -0.014980     -0.039921     -0.080927
     15.45964     16.92774      7.40579         0.074032     -0.008249     -0.009530
     15.40383     18.98904      8.66031         0.058088     -0.042792     -0.023332
      9.46553      6.83263      3.06277         0.054209     -0.069861      0.026975
     10.38114      3.57405      6.75571         0.064453     -0.046366     -0.059216
     10.61405      5.97498      7.16424        -0.047063     -0.070199     -0.065189
     10.00260      8.95577      3.51627         0.016649     -0.038124      0.092644
     10.05999      7.73319      7.68189         0.014439     -0.019027      0.058709
     10.22474     10.06387      8.39821         0.025442      0.028999     -0.034784
     11.99509     16.00663      2.29419         0.052371     -0.080171     -0.012728
     11.41520     13.76784      2.82492        -0.029343      0.051400     -0.180851
     10.16143     15.05159      6.70885        -0.016978     -0.010648     -0.096396
     13.43614     20.28413      1.20829         0.032024      0.066326     -0.018652
     11.56630     19.27669      5.56032        -0.105508      0.131974     -0.046467
     12.00428      0.26426      5.03831         0.031254     -0.008368      0.149290
     10.55998      9.16866     17.56531         0.085587     -0.002038      0.118589
     10.67306      7.66212     12.78983         0.050093      0.008511      0.111801
     10.59442     10.04265     13.32253         0.068597     -0.053161      0.025359
     10.78270     11.31102     17.93749        -0.024128     -0.035987     -0.091347
     10.60526     11.82511     13.61022         0.055292     -0.015364     -0.021543
     10.81868     14.24252     13.86618        -0.058502      0.064939     -0.144993
      9.20095     17.76841      0.18725         0.059357     -0.058999     -0.224192
      9.56771     15.79903     20.22058         0.015342     -0.077397      0.174615
     12.03283     17.96817     17.49097         0.004842     -0.018774      0.087317
      8.62793      0.06073      3.02263         0.105247      0.086019     -0.160137
     10.96513      0.60461     20.03078         0.060766     -0.025592      0.110423
     10.76223      2.48296      0.21216        -0.109729     -0.026780     -0.133952
      6.80774     10.65661     15.70549         0.034255      0.007525     -0.084866
      7.88845      7.38354     19.34562        -0.028653      0.051975     -0.033933
      7.97568      9.78502     19.79648        -0.070971      0.016088      0.002485
      6.92981     12.83845     16.25112         0.075340     -0.082154     -0.008962
      7.60836     11.50711     20.33717        -0.051071      0.037302      0.012546
      7.54683     13.79159     -0.13253         0.027179      0.070627     -0.018738
      9.50746     19.87487     15.69548         0.155194     -0.117539      0.073651
      8.79304     17.65711     16.01122         0.046646      0.024396     -0.047129
      6.34860     18.95806     19.28046        -0.031984     -0.032588     -0.020096
     10.86359      2.89938     14.72285         0.193167      0.191307     -0.081644
      8.28145      1.93379     18.69553        -0.112762      0.044988      0.088578
      8.93955      4.15250     18.33120         0.169378     -0.128023      0.048731
      6.91833     12.92631      8.99201         0.128995      0.062288      0.005173
      6.94816     11.40148      4.22957        -0.035063     -0.012624      0.037595
      7.02846     13.78178      4.73323        -0.027111     -0.036047      0.030211
      7.20663     15.12515      9.33162         0.052084     -0.032454      0.017619
      7.02741     15.63888      5.02273        -0.018533     -0.054264     -0.023812
      7.26194     18.06095      5.28533        -0.142431     -0.049333     -0.055397
      6.69579      0.29905     13.09913        -0.140225     -0.072256      0.049641
      6.83272     19.58768     11.78842        -0.074295      0.062684      0.130604
      8.87271      0.51577      8.74558         0.107757     -0.059389      0.043582
      6.24124      3.95844     15.76735         0.069568     -0.003926      0.026940
      8.34935      4.27643     11.39381         0.056899     -0.015770      0.140381
      8.26491      6.23707     12.78715        -0.132744     -0.021766     -0.182761
      4.19015     14.47150      8.50630        -0.162074     -0.052117      0.041347
      5.00489     11.37918     12.34457        -0.083658     -0.087172      0.040268
      5.06271     13.80890     12.70482         0.073403     -0.076164     -0.095008
      3.75620     16.44888      8.97833         0.060228      0.052293      0.001472
      5.31523     15.68707     12.97061        -0.066241     -0.026466     -0.014678
      5.05798     18.05973     13.54151         0.014240     -0.053176     -0.038326
      5.99190      2.35156      7.63551        -0.009260     -0.187042     -0.002826
      5.01988      0.27635      7.89831         0.100913     -0.101578     -0.008980
      3.77919      1.43428     11.81230        -0.031894      0.091773     -0.044113
      7.09357      6.54768      6.27054         0.004502      0.045511      0.136460
      5.97645      5.68752     10.96276        -0.078078      0.103141     -0.169199
      6.23797      7.97118     10.21691         0.078290     -0.100379      0.243670
      2.02393     16.24815      3.39066         0.108190     -0.036790      0.016952
     -0.35079     14.54635     20.56555         0.005853      0.128063      0.099810
     -0.06832     16.95159     20.89600        -0.118605     -0.036545      0.209972
      1.75791     18.62302      3.72482         0.057149     -0.010740      0.068743
      0.06382     18.66231     20.97885         0.005256     -0.037322      0.049331
     -0.20812     -0.18682     21.07584         0.080807     -0.134631      0.066807
      2.82897      4.16600      6.75943         0.136294     -0.105340      0.022968
      2.48753      2.09740      5.69469         0.162791      0.069951     -0.047201
      0.11774      4.08182      2.71180        -0.015812     -0.021381      0.138512
      3.15326      7.79010      9.41583        -0.017705      0.055984     -0.179023
      1.72563      8.14869      4.76784        -0.026532      0.006681     -0.150669
      2.51875     10.11413      5.89056        -0.103736     -0.032357     -0.105414
      3.58624     17.11202     20.45252        -0.143900      0.225689     -0.082396
      5.58143     13.91138      2.47067        -0.050045      0.220488     -0.058947
      5.58899     16.29344      2.96235         0.025484      0.074516     -0.119451
      3.70335     19.49316     -0.15555        -0.078647     -0.074496     -0.176823
      5.46991     18.01022      3.50658         0.004652     -0.090853      0.085982
      5.76818     20.27370      4.32916        -0.026489     -0.041328     -0.015035
      2.45163      5.74747     -0.24113        -0.229837     -0.028877      0.032567
      2.74545      3.40469     -0.04074         0.087948     -0.005482     -0.132175
      5.29469      4.10633      3.34831        -0.060321     -0.202533      0.061397
      0.37065     10.05193      0.92651        -0.060395      0.003034      0.058319
      4.80785      8.59511      2.30733        -0.026076      0.149544      0.039491
      4.15714     10.86958      2.77561        -0.121016     -0.062865     -0.089453
     19.90838     19.47451     15.79252        -0.037213     -0.007588     -0.068102
     16.61433     17.87553     12.37453        -0.022519     -0.021159     -0.042379
     17.14156     20.26097     12.53651        -0.102391     -0.029973      0.068459
     20.11254      0.33921     16.03989        -0.016747     -0.015274     -0.067655
     17.14286      0.86719     12.91748        -0.069701     -0.016114     -0.100940
     17.21713      3.28493     13.21593         0.014677      0.050994     -0.023931
      2.26953      6.79493     17.88198        -0.014860      0.068680     -0.053784
      1.14890      4.80600     17.24063         0.252354     -0.135804     -0.019952
     18.77701      6.97692     16.86901        -0.206767     -0.010541     -0.038368
      4.43199     10.46744     19.78429         0.209891     -0.005783      0.125674
     -0.10661     10.75478     18.08264         0.087215      0.143869      0.067325
      0.88970     12.70946     19.05006         0.018351     -0.117634     -0.073164
      0.55434      0.03866     12.86533         0.070636     -0.174846      0.180643
      3.02008     18.10084     15.85929        -0.012019     -0.149087      0.070221
      3.10026     20.52725     16.31412        -0.012387     -0.162326     -0.171861
      0.86547      2.04353     13.18533         0.095147      0.048139      0.105875
      2.89478      1.06385     16.88850         0.124327     -0.048798      0.053010
      3.52760      3.39276     17.21006         0.102405      0.039842     -0.059831
     19.85284      9.03706     13.86998        -0.025156     -0.076000      0.076167
     20.65312      6.87123     13.60782        -0.087565     -0.032850     -0.020101
      3.28748      8.20267     14.78719        -0.130157      0.148979     -0.111606
     17.88148     13.08711     14.16204         0.186602      0.107020      0.062732
      1.30188     12.48902     15.43553        -0.042533      0.031807     -0.166702
      0.37716     14.67776     15.45105         0.224470     -0.000284      0.250874
     17.27555      2.33360      7.97262        -0.026444     -0.007980     -0.029024
     15.44014      1.07886      3.47659         0.015265      0.071824      0.034458
     15.30445      3.39348      4.24398         0.010435     -0.049520      0.080725
     17.03944      4.66032      8.55450        -0.036312     -0.012931     -0.100781
     15.21540      5.05041      4.62503         0.110407      0.065212     -0.066766
     15.41985      7.46826      4.73088        -0.014047      0.006747     -0.000476
     19.99860     10.94838     11.19920         0.034531     -0.023876     -0.026114
     18.97572      9.01492     10.22866         0.059828      0.059225      0.195187
     16.36537     11.55318      8.01099         0.071573     -0.012223     -0.024606
      1.42598     14.58935     12.32598        -0.149199      0.141643     -0.100852
     18.14493     15.04340     10.64409        -0.081578      0.019257      0.076181
     19.24984     16.96779     11.51973        -0.162324      0.157873     -0.170632
     19.05986      4.60333      5.36428         0.003496     -0.033853     -0.024952
     -0.03345      1.00933      8.11058        -0.098598      0.026671      0.001285
     -0.26328      3.28778      9.03556        -0.142092     -0.005879     -0.072586
     18.99945      6.36349      5.98496         0.070536      0.071604      0.109404
     -0.48616      5.21554      9.75571        -0.046123      0.071268      0.055891
     -0.04046      7.58367     10.27205         0.160978     -0.013841     -0.023914
     18.31270     13.65657      4.84077        -0.130722     -0.085421      0.020836
     18.65683     11.31787      5.26891        -0.145646      0.015714     -0.078582
      0.68734     12.30411      7.84476        -0.100142     -0.004486     -0.173979
     17.61064     18.01804      3.93790         0.072428      0.047825      0.004716
     20.01911     16.41473      7.88899         0.010883      0.063402     -0.081163
     19.17753     18.68591      7.87923        -0.014134     -0.148413      0.068708
     13.96069     19.15361     10.70823        -0.000505     -0.029023      0.008931
     19.52402      0.02427      3.45455        -0.087014     -0.176624     -0.246327
     12.96420      1.23534      2.66531        -0.064513      0.141594      0.015432
     13.64647     11.40516      4.67488        -0.085338     -0.064560     -0.017320
      9.62392      2.57112      2.69847        -0.002794      0.150691      0.101446
     10.37238     12.83488      5.15268         0.141634     -0.037377      0.046162
     10.38146      5.13498     16.17520         0.061471     -0.288572     -0.340688
     10.90143     15.53230     17.89120         0.015150      0.031007     -0.008171
      7.13759      6.39802     15.32679         0.053962      0.026973     -0.087713
      7.20119     16.68544     18.00889         0.069617      0.044162      0.028124
      6.77100      8.88328      7.68863         0.015874     -0.110545      0.014224
      7.60639     19.36266      9.25826         0.038069      0.110525      0.025884
      3.44376     10.25893      8.55032        -0.016022     -0.040659     -0.141758
      4.06245     20.51969     10.31577         0.066993     -0.017120      0.135940
      1.72668     12.09888      1.92011        -0.093224      0.091039      0.117704
      1.23123      1.61684      3.34615         0.002759     -0.156481     -0.096518
      3.42004     12.88364     20.21545        -0.140544     -0.008749     -0.117798
      4.31575      2.04757      1.75001         0.052855      0.103020      0.097602
     19.11278     15.42594     14.77987         0.146452      0.025855     -0.011982
     19.91872      4.55964     16.26020        -0.077853     -0.086292     -0.109390
      0.51627     17.06597     12.59616        -0.246614      0.099485      0.000104
      1.88212      5.98540     14.28039        -0.074609     -0.006126      0.042049
     17.61353     19.81169      5.96221        -0.085105     -0.084916     -0.000990
     17.08736      8.91168      8.33384        -0.065479     -0.006198     -0.082091
     19.61862      0.65763      4.23671         0.006914      0.144383      0.224727
     20.33755     10.21359      7.02755        -0.038617      0.066962     -0.025694
     12.53613      2.37504      4.69710         0.133631      0.004050     -0.036099
     13.71851      0.96520      0.43684        -0.009384      0.059836     -0.005780
     13.25856      9.59617      6.15426         0.036768      0.049768     -0.417736
     14.04236     12.52669      2.62047        -0.117362     -0.163472      0.001755
      9.46409      4.39522      1.21423        -0.041671      0.146253     -0.223498
      9.66946      1.40636      4.75152         0.044911      0.334981     -0.160339
     10.17468     11.86650      3.00775        -0.002721     -0.058177      0.049825
     10.24655     12.97888      7.51132        -0.014143     -0.047207     -0.059197
     10.38811      6.21068     18.27866         0.050075     -0.013825     -0.282446
     10.78017      4.86655     13.85127         0.049777      0.082320     -0.029222
     10.83664     13.83179     19.52444        -0.015680      0.036039     -0.259491
     11.02240     16.56364     15.77701        -0.053804     -0.223956      0.059732
      6.96477      8.19180     13.82237        -0.043570      0.145130     -0.077968
      7.21225      5.25396     17.39779        -0.112082      0.214878     -0.157477
      6.91061     15.82135     15.84214         0.048438     -0.110969     -0.019932
      7.10739     16.74268     20.36413        -0.083460      0.029987      0.067974
      7.02409     10.03769      9.73789        -0.012073     -0.008181      0.009413
      6.99936      8.57593      5.34709        -0.155899      0.228401      0.307327
      7.67614     17.66599     10.90385         0.029864      0.003286     -0.337478
      7.24348     20.39519      7.16311         0.163998     -0.328365      0.264905
      3.37700     11.97656      6.93738         0.078918     -0.103272      0.174543
      3.86643      9.22226     10.65247        -0.014914      0.019901      0.004051
      3.59701     19.48148      8.25466        -0.078340     -0.013662     -0.676429
      4.28865     20.73027     12.66084        -0.033393     -0.104964     -0.068831
      2.84721     13.10508      3.74883        -0.147131      0.163231     -0.344898
     -0.06409     11.94420      0.35509         0.175545      0.117480     -0.091422
      2.39850      0.15520      4.81901        -0.137164     -0.066789     -0.165447
      0.11366      2.29364      1.36936         0.185903     -0.238949      0.160865
      2.74065     14.69845     18.87239        -0.084975     -0.021184      0.132030
      4.82222     11.73745      0.47660        -0.013975      0.073875     -0.002224
      3.18166      1.27757     -0.17918         0.076480     -0.200524     -0.045043
      5.72483      1.94808      3.65549        -0.394105     -0.352866     -0.397966
     -0.64006     16.59532     16.17937        -0.222088      0.005208     -0.140168
     17.17424     15.08778     13.47247        -0.082490     -0.114556     -0.147126
     -0.12254      2.81568     17.30536        -0.108793      0.063042      0.038066
     18.41807      5.61530     14.76896         0.082525     -0.111086      0.085294
     20.84418     18.86700     11.39220         0.207176     -0.136593      0.346747
      1.91314     15.91749     14.10817         0.085651     -0.093731      0.117518
      0.36704      4.95657     12.80515        -0.683646      0.054595     -0.759716
      3.59046      6.19015     15.90868        -0.348297     -0.379368     -0.377308
     18.27541     20.69283      8.06739        -0.121590      0.003037     -0.072937
     16.31763     19.64742      3.97905         0.134830      0.108390      0.058673
     17.66151      7.25656      9.93068        -0.256976      0.006531     -0.355794
     16.31244      9.84531      6.30343        -0.087887     -0.129535      0.211459
     18.68912      2.56151      3.24445         0.098834     -0.145814      0.295996
     20.71984     20.45082      5.68650        -0.003847      0.120294     -0.027173
     18.95975      9.23785      5.37134        -0.408460      0.123416     -0.781125
      0.43693     10.30499      8.94216         0.668977      0.527579      0.586273
     14.07944     17.27589      5.63733         0.104818      0.010548      0.006930
     16.05744     16.29693      5.70255        -0.083874     -0.067905     -0.043402
     14.73269     16.00394      4.00715        -0.015026     -0.019495      0.151367
     11.69219     15.23727     11.45794        -0.045445      0.192077     -0.015061
     11.44407     14.34112      9.49206         0.008463     -0.030626      0.031063
     13.16037     13.79840     10.78029         0.018098      0.012155     -0.042808
     11.93707     18.06375      7.08779        -0.055501      0.036590      0.064166
      9.89118     18.54255      6.39179         0.108067     -0.055170     -0.009324
     10.25681     16.87454      7.73296        -0.120172     -0.182475      0.135674
     13.70741     18.53165      0.25234        -0.004088     -0.069040      0.065734
     14.24260     17.01255      1.71016        -0.215686     -0.020281      0.029130
     12.26504     16.99888      0.74082        -0.001331      0.050100     -0.050100
     11.45504      0.08517     18.26180         0.118447     -0.027569      0.011555
     13.10902     -0.67605     19.52403        -0.126120      0.155716     -0.015323
     12.83628     19.87853     17.47693         0.034670     -0.042597      0.160556
      8.13067     19.32561      3.13632         0.128147      0.026457     -0.144127
      7.68056     18.54796      1.15071         0.111957      0.199033      0.161407
      9.58565     18.06068      2.16117        -0.035952     -0.099033     -0.003003
      7.56142      0.86593     20.05007        -0.025393     -0.020914      0.214173
      5.98509      1.14485     18.53321         0.114803      0.033499      0.047468
      5.83067     20.84218     20.02747        -0.123744     -0.172820     -0.071864
     10.81376      1.28197     13.56995         0.255646     -0.161942      0.051344
     11.46796     -0.22297     15.02874         0.052537     -0.212874     -0.068630
      9.47879     20.94160     14.07232        -0.019285     -0.253920     -0.125719
      9.03678      3.72875      9.54496        -0.010499     -0.113684      0.087300
     10.42686      2.97486     11.08388        -0.169792     -0.001347     -0.013526
     10.37260      2.07492      9.10105        -0.012981     -0.108048     -0.001676
      6.06841      1.98927     16.18677        -0.032255     -0.008484     -0.308952
      5.14863      1.20824     14.38064         0.189215      0.150844     -0.063535
      7.11431      0.51561     15.01229         0.062758      0.008465     -0.241802
      4.32662      5.11986     11.92779         0.110113     -0.057103     -0.118172
      2.70794      3.68549     11.61718        -0.045969      0.201424     -0.087736
      4.34605      3.24396     12.99025         0.093410      0.018472      0.215547
      7.37762      4.62270      5.48877        -0.070781      0.207982     -0.189159
      7.64758      3.02601      6.92101        -0.167728      0.211781     -0.054678
      5.62837      3.51848      6.10948         0.080095     -0.102676      0.037137
     -0.57271      7.25207      4.71348         0.093105     -0.154991     -0.031189
      0.70160      7.17791      3.00065         0.196840      0.193478     -0.019610
     -1.12605      5.94778      3.07395         0.069275     -0.091103      0.024555
      2.89226      5.85876      9.91268        -0.247971      0.060242      0.098596
      1.59949      4.60808      8.70983         0.175153      0.059199     -0.226845
      3.72574      4.81383      8.21126        -0.220195      0.096284      0.023754
      6.18126      6.80346      3.50033         0.030002     -0.100927     -0.104465
      4.29723      7.62651      4.25294        -0.113912     -0.046017      0.015527
      4.89506      5.64959      4.87432         0.060089      0.267448     -0.123895
     -0.34061      8.41732     21.10855        -0.241497      0.104923     -0.136002
      1.27639      7.15213     -0.88724        -0.070231      0.111329      0.115383
      0.05446      6.51628      0.78678         0.301284     -0.029417     -0.136224
     19.48058      9.62471     19.26766         0.011092      0.075263      0.100014
     19.50070     10.24848     17.16038        -0.048322     -0.041268      0.076586
     18.10345      8.72018     17.84743         0.164276      0.039215      0.052723
      4.82457      8.50586     20.01676        -0.086974     -0.255006     -0.264172
      3.60364      6.92590     19.21162        -0.021722      0.276922     -0.013602
      4.60405      8.29693     17.82694        -0.317062      0.006466      0.236654
      3.07241     11.74126     14.17845        -0.028039     -0.034164      0.092659
      2.65602     11.28601     16.28522         0.249264     -0.007697      0.045502
      4.11749     10.11543     15.16248        -0.038097      0.003945      0.030046
     17.17763     11.26699     13.64864        -0.004856      0.022124      0.029291
     18.63939      9.94535     12.77014        -0.161523      0.029032      0.098219
     18.10853      9.75590     14.89829         0.069436      0.012945     -0.067481
     16.27955     14.25922      9.78488         0.100465      0.055841     -0.061216
     17.98601     14.86147      8.51100         0.027332     -0.045724      0.078643
     16.41077     13.66175      7.67676         0.007049     -0.086386     -0.074435
      1.90186     12.70107     12.18076        -0.036780     -0.085636     -0.271343
      0.48454     11.18092     11.68143         0.104255      0.047691     -0.072592
      1.42030     12.36265     10.07317        -0.086485      0.084418      0.160058
      1.15982     15.85553      6.57007        -0.114859     -0.022201      0.006960
      0.39362     15.50528      8.60849         0.047731     -0.057341     -0.012606
      1.92532     14.21610      7.78571        -0.070575     -0.063847     -0.162963
     18.16521     16.50950      2.41581         0.158333      0.096065      0.021891
     19.55379     14.92803      3.00720        -0.096762      0.047248      0.141671
     17.40512     14.79920      3.51512         0.227238      0.195217     -0.011190
 -----------------------------------------------------------------------------------
    total drift:                                0.010471      0.007674     -0.007276


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4579.2016467122 eV

  energy  without entropy=    -4579.3538003684  energy(sigma->0) =    -4579.25236460
 
 d Force = 0.4973489E+00[ 0.210E+00, 0.785E+00]  d Energy = 0.4970961E+00 0.253E-03
 d Force = 0.7385323E+03[ 0.738E+03, 0.739E+03]  d Ewald  = 0.7385405E+03-0.825E-02


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.497096  1 .order   -0.497349   -0.784556   -0.210142
  (g-gl).g = 0.302E+01      g.g   = 0.302E+01  gl.gl    = 0.297E+01
 g(Force)  = 0.302E+01   g(Stress)= 0.000E+00 ortho     =-0.112E-01
 gamma     =   1.01831
 trial     =   0.26088
 opt step  =   0.35631  (harmonic =   0.35631) maximal distance =0.06740204
 next E    = -4579.240338   (d E  =  -0.53579)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   87(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3160
 total energy-change (2. order) : 0.1387470E+00  (-0.8712874E+01)
 number of electron    2497.9999989 magnetization 
 augmentation part      162.6864934 magnetization 

  free energy =  -0.457906289463E+04  energy without entropy=  -0.457921480998E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   87(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) :-0.1794403E+00  (-0.2167564E+00)
 number of electron    2497.9999989 magnetization 
 augmentation part      162.6925364 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8687
  0.8687

  free energy =  -0.457924233498E+04  energy without entropy=  -0.457939399917E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   87(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3696
 total energy-change (2. order) : 0.4893033E-02  (-0.4123339E-02)
 number of electron    2497.9999989 magnetization 
 augmentation part      162.6826383 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4308
  1.0522  1.8095

  free energy =  -0.457923744194E+04  energy without entropy=  -0.457938909977E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   87(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) :-0.1743054E-02  (-0.3410748E-02)
 number of electron    2497.9999989 magnetization 
 augmentation part      162.6769379 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2984
  2.2044  0.8453  0.8453

  free energy =  -0.457923918500E+04  energy without entropy=  -0.457939082762E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   87(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3776
 total energy-change (2. order) :-0.1408493E-03  (-0.6472394E-03)
 number of electron    2497.9999989 magnetization 
 augmentation part      162.6790374 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3393
  2.4120  1.0251  1.0251  0.8950

  free energy =  -0.457923932585E+04  energy without entropy=  -0.457939082788E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   87(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) : 0.1684432E-03  (-0.3214234E-03)
 number of electron    2497.9999989 magnetization 
 augmentation part      162.6788704 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2520
  2.4017  1.0543  1.0543  0.8750  0.8750

  free energy =  -0.457923915740E+04  energy without entropy=  -0.457939074737E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   87(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) :-0.1947803E-05  (-0.4966891E-04)
 number of electron    2497.9999989 magnetization 
 augmentation part      162.6793593 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2425
  2.3958  1.0099  1.0099  1.1830  1.1830  0.6731

  free energy =  -0.457923915935E+04  energy without entropy=  -0.457939058840E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   87(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3528
 total energy-change (2. order) : 0.8557283E-05  (-0.1026996E-04)
 number of electron    2497.9999989 magnetization 
 augmentation part      162.6798428 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2240
  2.4615  1.0722  1.0722  1.2589  1.2589  0.8258  0.6187

  free energy =  -0.457923915080E+04  energy without entropy=  -0.457939063327E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   87(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3032
 total energy-change (2. order) :-0.7981202E-05  (-0.4703674E-05)
 number of electron    2497.9999989 magnetization 
 augmentation part      162.6798428 magnetization 

  free energy =  -0.457923915878E+04  energy without entropy=  -0.457939057053E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0243       2 -56.1148       3 -55.9998       4 -55.8227       5 -55.8358
       6 -56.2796       7 -58.0963       8 -58.2392       9 -56.2589      10 -55.9282
      11 -56.0211      12 -55.8184      13 -55.7803      14 -55.9478      15 -58.0604
      16 -58.1207      17 -56.3365      18 -54.9924      19 -54.8905      20 -55.0505
      21 -55.6303      22 -55.5631      23 -55.5695      24 -55.5904      25 -55.0024
      26 -54.7780      27 -54.9209      28 -54.9204      29 -60.3911      30 -60.3575
      31 -55.7313      32 -55.8389      33 -55.7342      34 -55.4804      35 -55.5530
      36 -56.0324      37 -57.8146      38 -57.9794      39 -56.1370      40 -55.8681
      41 -55.9853      42 -55.7180      43 -55.7620      44 -55.9418      45 -58.0808
      46 -58.1914      47 -56.4756      48 -55.1362      49 -54.9553      50 -55.3100
      51 -55.8956      52 -55.8277      53 -55.7404      54 -55.7273      55 -55.0470
      56 -54.8472      57 -54.9501      58 -56.3542      59 -60.3232      60 -60.6291
      61 -55.9568      62 -56.0600      63 -55.9139      64 -55.7737      65 -55.7448
      66 -56.1916      67 -58.0105      68 -58.1299      69 -56.1973      70 -55.8940
      71 -55.9861      72 -55.7198      73 -55.6889      74 -55.9113      75 -58.0190
      76 -58.0761      77 -56.3058      78 -55.0692      79 -54.9021      80 -55.2074
      81 -55.7807      82 -55.7856      83 -55.8600      84 -55.8763      85 -55.2723
      86 -55.0145      87 -55.1845      88 -56.3713      89 -60.6419      90 -60.3619
      91 -55.7774      92 -55.8921      93 -55.7940      94 -55.5618      95 -55.6245
      96 -56.1227      97 -57.9106      98 -58.0221      99 -56.2307     100 -55.9356
     101 -56.0756     102 -55.7352     103 -55.7960     104 -56.0150     105 -58.1107
     106 -58.1785     107 -56.4162     108 -55.1575     109 -54.9624     110 -55.3850
     111 -55.8760     112 -55.8220     113 -55.6928     114 -55.6462     115 -54.9968
     116 -54.7676     117 -54.9208     118 -56.2507     119 -60.3780     120 -60.5808
     121 -55.9820     122 -56.0050     123 -55.8855     124 -55.7886     125 -55.8017
     126 -56.2163     127 -58.1212     128 -58.1954     129 -56.1897     130 -55.8246
     131 -55.9298     132 -55.7422     133 -55.6736     134 -55.8446     135 -57.9343
     136 -58.0456     137 -56.3364     138 -55.0573     139 -54.9253     140 -55.3309
     141 -55.8453     142 -55.7695     143 -55.8214     144 -55.8222     145 -55.1674
     146 -55.0712     147 -55.2222     148 -56.3533     149 -60.4682     150 -60.5123
     151 -55.6599     152 -55.7696     153 -55.6157     154 -55.4475     155 -55.4833
     156 -55.9323     157 -57.9018     158 -57.9411     159 -56.0064     160 -55.7579
     161 -55.9246     162 -55.5488     163 -55.5655     164 -55.7948     165 -57.9395
     166 -58.1042     167 -56.3551     168 -55.0306     169 -54.8399     170 -55.1846
     171 -55.8288     172 -55.8574     173 -55.8758     174 -55.8026     175 -55.2727
     176 -55.0645     177 -55.1362     178 -56.5113     179 -60.4741     180 -60.5777
     181 -55.8215     182 -56.0696     183 -55.9221     184 -55.5949     185 -55.6302
     186 -56.1819     187 -57.9169     188 -58.1895     189 -56.2257     190 -55.8539
     191 -56.0279     192 -55.7190     193 -55.6996     194 -55.9101     195 -57.9803
     196 -58.1588     197 -56.4951     198 -55.0464     199 -54.9514     200 -55.2941
     201 -55.8135     202 -55.8195     203 -55.8781     204 -55.8280     205 -55.1051
     206 -55.1964     207 -55.1837     208 -56.4565     209 -60.6413     210 -60.4832
     211 -55.9930     212 -56.0383     213 -55.9126     214 -55.8341     215 -55.7922
     216 -56.2794     217 -58.1444     218 -58.1431     219 -56.1530     220 -55.8151
     221 -55.9362     222 -55.5806     223 -55.5229     224 -55.8078     225 -57.9389
     226 -58.1270     227 -56.4380     228 -54.9919     229 -54.9145     230 -55.1907
     231 -55.7403     232 -55.7366     233 -55.6867     234 -55.6974     235 -55.0191
     236 -55.0950     237 -55.1846     238 -56.4286     239 -60.3258     240 -60.4099
     241 -55.9910     242 -56.0490     243 -55.9455     244 -55.7804     245 -55.7879
     246 -56.2358     247 -58.0901     248 -58.1667     249 -56.2234     250 -55.8938
     251 -56.0018     252 -55.7667     253 -55.7700     254 -55.9520     255 -58.0163
     256 -58.0994     257 -56.3445     258 -55.0700     259 -54.9138     260 -55.2475
     261 -55.7885     262 -55.7532     263 -55.8320     264 -55.8877     265 -55.2272
     266 -54.9883     267 -55.2003     268 -56.3800     269 -60.5739     270 -60.4120
     271 -55.8706     272 -55.9446     273 -55.8090     274 -55.6775     275 -55.6357
     276 -56.0333     277 -58.0511     278 -58.0791     279 -55.9226     280 -55.6684
     281 -55.7644     282 -55.4982     283 -55.5148     284 -55.7723     285 -57.9610
     286 -58.0231     287 -56.3384     288 -55.0413     289 -54.9028     290 -55.2282
     291 -55.8363     292 -55.8006     293 -55.8631     294 -55.8601     295 -55.2234
     296 -55.0094     297 -55.0545     298 -56.4230     299 -60.5235     300 -60.5556
     301 -55.8775     302 -56.0323     303 -55.9438     304 -55.6566     305 -55.7002
     306 -56.2154     307 -58.0273     308 -58.2293     309 -56.2581     310 -55.9432
     311 -56.0361     312 -55.7260     313 -55.7155     314 -55.9064     315 -57.9826
     316 -58.1306     317 -56.4134     318 -55.0487     319 -54.9061     320 -55.2978
     321 -55.7997     322 -55.7615     323 -55.8676     324 -55.8742     325 -55.1943
     326 -55.1026     327 -55.2251     328 -56.4110     329 -60.5626     330 -60.4678
     331 -55.7001     332 -55.7293     333 -55.6161     334 -55.5518     335 -55.5299
     336 -55.9443     337 -57.8980     338 -57.8791     339 -55.8341     340 -55.5735
     341 -55.6720     342 -55.4253     343 -55.4338     344 -55.6690     345 -57.9285
     346 -57.9335     347 -56.4129     348 -54.9812     349 -54.9707     350 -55.2831
     351 -55.7681     352 -55.7033     353 -55.7023     354 -55.7251     355 -55.1655
     356 -54.9782     357 -55.0217     358 -56.4125     359 -60.4629     360 -60.5003
     361 -39.0509     362 -38.7845     363 -38.9147     364 -39.0247     365 -38.9220
     366 -38.7573     367 -38.1376     368 -38.1265     369 -37.9405     370 -38.1201
     371 -38.1523     372 -38.2038     373 -38.6883     374 -38.3806     375 -38.6996
     376 -38.8252     377 -38.8494     378 -38.7654     379 -38.1754     380 -38.1718
     381 -38.2392     382 -37.9882     383 -38.2365     384 -37.9670     385 -38.9388
     386 -38.7685     387 -38.9063     388 -38.9310     389 -38.9025     390 -38.6526
     391 -38.2063     392 -38.3479     393 -38.2052     394 -38.1615     395 -38.1478
     396 -38.2998     397 -38.7783     398 -38.4681     399 -38.8123     400 -38.9023
     401 -38.8249     402 -38.7868     403 -38.1992     404 -38.1749     405 -38.4339
     406 -38.0548     407 -38.1006     408 -37.8164     409 -38.7960     410 -38.7968
     411 -38.9654     412 -38.7768     413 -38.9533     414 -38.7084     415 -38.2973
     416 -38.2551     417 -38.2998     418 -38.1592     419 -38.2099     420 -38.2991
     421 -38.6423     422 -38.3987     423 -38.6017     424 -38.7248     425 -38.5831
     426 -38.5626     427 -38.2128     428 -38.0511     429 -38.2477     430 -38.1859
     431 -38.1016     432 -38.0344     433 -38.7918     434 -38.6176     435 -38.8264
     436 -38.7303     437 -38.9172     438 -38.6415     439 -38.2870     440 -38.0332
     441 -38.1184     442 -38.0455     443 -38.2324     444 -38.0894     445 -38.9009
     446 -38.8396     447 -38.9234     448 -38.7887     449 -38.8129     450 -38.4103
     451 -38.0367     452 -37.9732     453 -38.1361     454 -37.9759     455 -38.1792
     456 -38.1351     457 -38.9194     458 -38.7381     459 -38.9121     460 -38.8882
     461 -38.9429     462 -38.7438     463 -38.1498     464 -38.3494     465 -38.2909
     466 -38.4076     467 -38.1943     468 -38.2600     469 -38.8320     470 -38.7067
     471 -38.7264     472 -38.7439     473 -38.6395     474 -38.5025     475 -38.3226
     476 -38.1480     477 -38.1435     478 -38.1178     479 -38.1691     480 -38.0518
     481 -38.8744     482 -38.7352     483 -38.9118     484 -38.8694     485 -38.9642
     486 -38.7699     487 -38.1647     488 -38.1865     489 -38.2602     490 -38.2288
     491 -38.2434     492 -38.4441     493 -38.8005     494 -38.4960     495 -38.5654
     496 -38.7004     497 -38.4605     498 -38.4498     499 -38.1660     500 -37.9901
     501 -38.2008     502 -38.1089     503 -38.0784     504 -37.9883     505 -38.1901
     506 -41.1470     507 -71.7022     508 -71.6325     509 -71.3507     510 -71.6445
     511 -71.5750     512 -71.5322     513 -71.4554     514 -71.5497     515 -71.6541
     516 -71.4759     517 -71.4720     518 -71.4663     519 -71.4803     520 -71.5465
     521 -71.5838     522 -71.4972     523 -71.6424     524 -71.5099     525 -71.5894
     526 -71.4348     527 -71.6508     528 -71.5395     529 -71.1592     530 -71.4073
     531 -76.8998     532 -76.7254     533 -76.7616     534 -76.7143     535 -76.6455
     536 -76.4478     537 -76.8518     538 -76.7176     539 -76.6737     540 -76.6690
     541 -76.7127     542 -76.6574     543 -76.6537     544 -76.5873     545 -76.8169
     546 -76.7497     547 -76.8445     548 -76.7720     549 -76.6897     550 -76.5783
     551 -76.5591     552 -76.5796     553 -76.7901     554 -76.6309     555 -76.7587
     556 -76.6326     557 -76.7957     558 -76.6272     559 -76.7481     560 -76.8226
     561 -76.7646     562 -76.5667     563 -76.7873     564 -76.7241     565 -76.7681
     566 -76.6367     567 -76.6965     568 -76.7221     569 -76.8279     570 -76.5847
     571 -76.8556     572 -76.7111     573 -76.7688     574 -76.6519     575 -76.4935
     576 -76.5465     577 -76.7135     578 -76.7064     579 -82.3066     580 -82.2630
     581 -82.2148     582 -82.3634     583 -82.2788     584 -82.2663     585 -82.4486
     586 -82.4899     587 -82.6329     588 -82.1628     589 -82.0602     590 -82.2811
     591 -82.3207     592 -82.1942     593 -82.2184     594 -82.5894     595 -82.4719
     596 -82.5767     597 -82.4526     598 -82.4518     599 -82.5747     600 -82.1960
     601 -82.2983     602 -82.3504     603 -82.3710     604 -82.3100     605 -82.4823
     606 -82.2231     607 -82.2528     608 -82.4442     609 -82.6511     610 -82.2773
     611 -82.4494     612 -82.4957     613 -82.2483     614 -82.2938     615 -82.4414
     616 -82.5469     617 -82.4137     618 -82.6215     619 -82.6084     620 -82.5714
     621 -82.2160     622 -82.4396     623 -82.2038     624 -82.2955     625 -82.3156
     626 -82.0698     627 -82.3173     628 -82.2597     629 -82.2628     630 -82.3033
     631 -82.5362     632 -82.2937     633 -82.4272     634 -82.4445     635 -82.5429
     636 -82.3790     637 -82.4420     638 -82.2768     639 -82.3094     640 -82.4088
     641 -82.4241     642 -82.3774     643 -82.5508     644 -82.3844     645 -82.3842
     646 -82.3299     647 -82.4747     648 -82.3759     649 -82.3826     650 -82.2174
 
 
 
 E-fermi :  -1.4760     XC(G=0):  -6.5367     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
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      2     -28.9340      2.00000
      3     -28.8533      2.00000
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     11     -28.6969      2.00000
     12     -28.6934      2.00000
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     14     -28.6543      2.00000
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     16     -28.6103      2.00000
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     19     -28.6017      2.00000
     20     -28.5889      2.00000
     21     -28.5774      2.00000
     22     -28.5659      2.00000
     23     -28.5260      2.00000
     24     -28.4805      2.00000
     25     -26.7022      2.00000
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     27     -26.6427      2.00000
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     29     -26.5972      2.00000
     30     -26.5856      2.00000
     31     -26.5621      2.00000
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   1137      -3.0860      2.00000
   1138      -3.0593      2.00000
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   1170      -2.7788      2.00000
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   1173      -2.7186      2.00000
   1174      -2.7082      2.00000
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   1177      -2.6563      2.00000
   1178      -2.6418      2.00000
   1179      -2.6360      2.00000
   1180      -2.6306      2.00000
   1181      -2.6168      2.00000
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   1190      -2.5361      2.00000
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   1193      -2.5182      2.00000
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   1196      -2.4933      2.00000
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   1208      -2.4223      2.00000
   1209      -2.4200      2.00000
   1210      -2.4158      2.00000
   1211      -2.4081      2.00000
   1212      -2.4031      2.00000
   1213      -2.4008      2.00000
   1214      -2.3939      2.00000
   1215      -2.3906      2.00000
   1216      -2.3845      2.00000
   1217      -2.3788      2.00000
   1218      -2.3772      2.00000
   1219      -2.3707      2.00000
   1220      -2.3700      2.00000
   1221      -2.3679      2.00000
   1222      -2.3631      2.00000
   1223      -2.3550      2.00000
   1224      -2.3519      2.00000
   1225      -2.3321      2.00000
   1226      -2.3237      2.00000
   1227      -2.3034      2.00000
   1228      -2.2899      2.00000
   1229      -2.2754      2.00000
   1230      -2.2729      2.00000
   1231      -2.2637      2.00000
   1232      -2.2460      2.00000
   1233      -2.2403      2.00000
   1234      -2.2381      2.00000
   1235      -2.2343      2.00000
   1236      -2.2144      2.00000
   1237      -2.1996      2.00000
   1238      -1.7969      2.04573
   1239      -1.7772      2.05477
   1240      -1.7452      2.06710
   1241      -1.7409      2.06824
   1242      -1.7179      2.07084
   1243      -1.6974      2.06592
   1244      -1.6522      2.01589
   1245      -1.6407      1.99167
   1246      -1.6270      1.95530
   1247      -1.6221      1.94031
   1248      -1.6116      1.90377
   1249      -1.5917      1.82044
   1250       0.1333     -0.00000
   1251       0.1409     -0.00000
   1252       0.1761     -0.00000
   1253       0.2131     -0.00000
   1254       0.2153     -0.00000
   1255       0.2535     -0.00000
   1256       0.2920     -0.00000
   1257       0.3024     -0.00000
   1258       0.3069     -0.00000
   1259       0.3152     -0.00000
   1260       0.3927     -0.00000
   1261       0.4022     -0.00000
   1262       0.5988     -0.00000
   1263       0.6153     -0.00000
   1264       0.6465     -0.00000
   1265       0.6674     -0.00000
   1266       0.6959     -0.00000
   1267       0.7306     -0.00000
   1268       0.7530     -0.00000
   1269       0.7712     -0.00000
   1270       0.7721     -0.00000
   1271       0.7849     -0.00000
   1272       0.8433     -0.00000
   1273       0.8542     -0.00000
   1274       0.8924     -0.00000
   1275       0.8960     -0.00000
   1276       0.9053     -0.00000
   1277       0.9164     -0.00000
   1278       0.9525     -0.00000
   1279       0.9973     -0.00000
   1280       1.0037     -0.00000
   1281       1.0214     -0.00000
   1282       1.0601     -0.00000
   1283       1.0967     -0.00000
   1284       1.1158     -0.00000
   1285       1.2507     -0.00000
   1286       1.2613     -0.00000
   1287       1.2761     -0.00000
   1288       1.3283     -0.00000
   1289       1.4031     -0.00000
   1290       1.4225     -0.00000
   1291       1.4571     -0.00000
   1292       1.5052     -0.00000
   1293       1.5292     -0.00000
   1294       1.5752     -0.00000
   1295       1.6119     -0.00000
   1296       1.6217     -0.00000
   1297       1.6816     -0.00000
   1298       1.8284     -0.00000
   1299       1.8665     -0.00000
   1300       1.8793     -0.00000
   1301       1.9021     -0.00000
   1302       1.9240     -0.00000
   1303       1.9525     -0.00000
   1304       1.9947     -0.00000
   1305       2.0159     -0.00000
   1306       2.0310     -0.00000
   1307       2.0437     -0.00000
   1308       2.0568     -0.00000
   1309       2.1216     -0.00000
   1310       2.1278     -0.00000
   1311       2.1430     -0.00000
   1312       2.1555     -0.00000
   1313       2.1585     -0.00000
   1314       2.1976     -0.00000
   1315       2.2041     -0.00000
   1316       2.2172     -0.00000
   1317       2.2296     -0.00000
   1318       2.2557     -0.00000
   1319       2.2609     -0.00000
   1320       2.2779     -0.00000
   1321       2.3360     -0.00000
   1322       2.4279     -0.00000
   1323       2.4357     -0.00000
   1324       2.4444     -0.00000
   1325       2.4629     -0.00000
   1326       2.4865     -0.00000
   1327       2.5073     -0.00000
   1328       2.5196     -0.00000
   1329       2.5228     -0.00000
   1330       2.5362     -0.00000
   1331       2.5527     -0.00000
   1332       2.5591     -0.00000
   1333       2.5697     -0.00000
   1334       2.5811     -0.00000
   1335       2.6053     -0.00000
   1336       2.6177     -0.00000
   1337       2.6278     -0.00000
   1338       2.6364     -0.00000
   1339       2.6607     -0.00000
   1340       2.6665     -0.00000
   1341       2.6827     -0.00000
   1342       2.7101     -0.00000
   1343       2.7222     -0.00000
   1344       2.7704     -0.00000
   1345       2.8276     -0.00000
   1346       2.9681     -0.00000
   1347       2.9779     -0.00000
   1348       3.0209     -0.00000
   1349       3.0297     -0.00000
   1350       3.0356     -0.00000
   1351       3.0468     -0.00000
   1352       3.0572     -0.00000
   1353       3.0825     -0.00000
   1354       3.0978     -0.00000
   1355       3.1240     -0.00000
   1356       3.1456     -0.00000
   1357       3.1564     -0.00000
   1358       3.1625     -0.00000
   1359       3.1739     -0.00000
   1360       3.2157     -0.00000
   1361       3.2403     -0.00000
   1362       3.2854     -0.00000
   1363       3.4111     -0.00000
   1364       3.5137     -0.00000
   1365       3.5322     -0.00000
   1366       3.5860     -0.00000
   1367       3.6405     -0.00000
   1368       3.6857     -0.00000
   1369       3.7010     -0.00000
   1370       3.7541     -0.00000
   1371       3.7740     -0.00000
   1372       3.7971     -0.00000
   1373       3.8416     -0.00000
   1374       3.8524      0.00000
   1375       3.8671      0.00000
   1376       3.8803      0.00000
   1377       3.9045      0.00000
   1378       3.9166      0.00000
   1379       3.9233      0.00000
   1380       3.9359      0.00000
   1381       3.9462      0.00000
   1382       3.9577      0.00000
   1383       3.9665      0.00000
   1384       3.9747      0.00000
   1385       3.9944      0.00000
   1386       4.0033      0.00000
   1387       4.0152      0.00000
   1388       4.0245      0.00000
   1389       4.0315      0.00000
   1390       4.0509      0.00000
   1391       4.0555      0.00000
   1392       4.0811      0.00000
   1393       4.0924      0.00000
   1394       4.0943      0.00000
   1395       4.1056      0.00000
   1396       4.1163      0.00000
   1397       4.1426      0.00000
   1398       4.1527      0.00000
   1399       4.1699      0.00000
   1400       4.1839      0.00000
   1401       4.1879      0.00000
   1402       4.1979      0.00000
   1403       4.2135      0.00000
   1404       4.2258      0.00000
   1405       4.2395      0.00000
   1406       4.2501      0.00000
   1407       4.2565      0.00000
   1408       4.2923      0.00000
   1409       4.2978      0.00000
   1410       4.3128      0.00000
   1411       4.3269      0.00000
   1412       4.3411      0.00000
   1413       4.3471      0.00000
   1414       4.3634      0.00000
   1415       4.3762      0.00000
   1416       4.3868      0.00000
   1417       4.4092      0.00000
   1418       4.4140      0.00000
   1419       4.4300      0.00000
   1420       4.4340      0.00000
   1421       4.4388      0.00000
   1422       4.4597      0.00000
   1423       4.4814      0.00000
   1424       4.5036      0.00000
   1425       4.5138      0.00000
   1426       4.5208      0.00000
   1427       4.5425      0.00000
   1428       4.5611      0.00000
   1429       4.5880      0.00000
   1430       4.6081      0.00000
   1431       4.6280      0.00000
   1432       4.6423      0.00000
   1433       4.6684      0.00000
   1434       4.7008      0.00000
   1435       4.7214      0.00000
   1436       4.7675      0.00000
   1437       4.7745      0.00000
   1438       4.7839      0.00000
   1439       4.8173      0.00000
   1440       4.8354      0.00000
   1441       4.8561      0.00000
   1442       4.8682      0.00000
   1443       4.9051      0.00000
   1444       4.9125      0.00000
   1445       4.9272      0.00000
   1446       4.9412      0.00000
   1447       4.9495      0.00000
   1448       4.9735      0.00000
   1449       4.9990      0.00000
   1450       5.0060      0.00000
   1451       5.0405      0.00000
   1452       5.0464      0.00000
   1453       5.0587      0.00000
   1454       5.0781      0.00000
   1455       5.0849      0.00000
   1456       5.1004      0.00000
   1457       5.1377      0.00000
   1458       5.1447      0.00000
   1459       5.1495      0.00000
   1460       5.1750      0.00000
   1461       5.1891      0.00000
   1462       5.2009      0.00000
   1463       5.2215      0.00000
   1464       5.2359      0.00000
   1465       5.2459      0.00000
   1466       5.2533      0.00000
   1467       5.2614      0.00000
   1468       5.2688      0.00000
   1469       5.2813      0.00000
   1470       5.3014      0.00000
   1471       5.3065      0.00000
   1472       5.3173      0.00000
   1473       5.3289      0.00000
   1474       5.3362      0.00000
   1475       5.3453      0.00000
   1476       5.3497      0.00000
   1477       5.3663      0.00000
   1478       5.3718      0.00000
   1479       5.3832      0.00000
   1480       5.3848      0.00000
   1481       5.4044      0.00000
   1482       5.4077      0.00000
   1483       5.4099      0.00000
   1484       5.4203      0.00000
   1485       5.4291      0.00000
   1486       5.4381      0.00000
   1487       5.4532      0.00000
   1488       5.4608      0.00000
   1489       5.4689      0.00000
   1490       5.4864      0.00000
   1491       5.4888      0.00000
   1492       5.4949      0.00000
   1493       5.5051      0.00000
   1494       5.5078      0.00000
   1495       5.5121      0.00000
   1496       5.5245      0.00000
   1497       5.5353      0.00000
   1498       5.5416      0.00000
   1499       5.5508      0.00000
   1500       5.5533      0.00000
   1501       5.5621      0.00000
   1502       5.5688      0.00000
   1503       5.5820      0.00000
   1504       5.5889      0.00000
   1505       5.5969      0.00000
   1506       5.6147      0.00000
   1507       5.6153      0.00000
   1508       5.6179      0.00000
   1509       5.6287      0.00000
   1510       5.6446      0.00000
   1511       5.6560      0.00000
   1512       5.6623      0.00000
   1513       5.6700      0.00000
   1514       5.6802      0.00000
   1515       5.6968      0.00000
   1516       5.7189      0.00000
   1517       5.7199      0.00000
   1518       5.7230      0.00000
   1519       5.7270      0.00000
   1520       5.7350      0.00000
   1521       5.7458      0.00000
   1522       5.7575      0.00000
   1523       5.7597      0.00000
   1524       5.7702      0.00000
   1525       5.7853      0.00000
   1526       5.7968      0.00000
   1527       5.8049      0.00000
   1528       5.8240      0.00000
   1529       5.8292      0.00000
   1530       5.8366      0.00000
   1531       5.8453      0.00000
   1532       5.8545      0.00000
   1533       5.8646      0.00000
   1534       5.8724      0.00000
   1535       5.8815      0.00000
   1536       5.8932      0.00000
   1537       5.8971      0.00000
   1538       5.9003      0.00000
   1539       5.9181      0.00000
   1540       5.9253      0.00000
   1541       5.9429      0.00000
   1542       5.9489      0.00000
   1543       5.9610      0.00000
   1544       5.9753      0.00000
   1545       5.9799      0.00000
   1546       5.9868      0.00000
   1547       5.9880      0.00000
   1548       6.0012      0.00000
   1549       6.0174      0.00000
   1550       6.0248      0.00000
   1551       6.0317      0.00000
   1552       6.0369      0.00000
   1553       6.0466      0.00000
   1554       6.0601      0.00000
   1555       6.0735      0.00000
   1556       6.0764      0.00000
   1557       6.0786      0.00000
   1558       6.0933      0.00000
   1559       6.1000      0.00000
   1560       6.1038      0.00000
   1561       6.1085      0.00000
   1562       6.1265      0.00000
   1563       6.1316      0.00000
   1564       6.1428      0.00000
   1565       6.1459      0.00000
   1566       6.1562      0.00000
   1567       6.1760      0.00000
   1568       6.1806      0.00000
   1569       6.1933      0.00000
   1570       6.2006      0.00000
   1571       6.2124      0.00000
   1572       6.2178      0.00000
   1573       6.2258      0.00000
   1574       6.2339      0.00000
   1575       6.2404      0.00000
   1576       6.2594      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.087  13.411  -0.001   0.001  -0.000   0.002  -0.004   0.001
 13.411  17.830  -0.001   0.002  -0.000   0.003  -0.006   0.001
 -0.001  -0.001  -4.232   0.003   0.000   8.277  -0.004  -0.001
  0.001   0.002   0.003  -4.232   0.001  -0.004   8.276  -0.001
 -0.000  -0.000   0.000   0.001  -4.225  -0.001  -0.001   8.268
  0.002   0.003   8.277  -0.004  -0.001 -18.318   0.007   0.001
 -0.004  -0.006  -0.004   8.276  -0.001   0.007 -18.315   0.000
  0.001   0.001  -0.001  -0.001   8.268   0.001   0.000 -18.309
 total augmentation occupancy for first ion, spin component:           1
  8.492  -3.829   0.166   0.144  -0.057   0.021   0.027  -0.009
 -3.829   1.799  -0.085  -0.097   0.034  -0.009  -0.016   0.005
  0.166  -0.085   1.786  -0.057  -0.033   0.169  -0.011  -0.006
  0.144  -0.097  -0.057   1.901  -0.101  -0.011   0.178  -0.014
 -0.057   0.034  -0.033  -0.101   1.229  -0.006  -0.014   0.081
  0.021  -0.009   0.169  -0.011  -0.006   0.018  -0.002  -0.001
  0.027  -0.016  -0.011   0.178  -0.014  -0.002   0.018  -0.002
 -0.009   0.005  -0.006  -0.014   0.081  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -48600.83904 82416.42539 18100.87175 -9106.55863  6129.26882 17390.70536
  Hartree  7159.88882109361.45772 55927.99625 -9531.76713  4090.92283 11604.16235
  E(xc)  -10736.40919-10588.53214-10630.85936     2.62763     8.36529    33.90166
  Local    8017.02608************************ 18635.17040-10236.87304-28370.84572
  n-local -5843.61151 -5984.16069 -6039.67916     6.71430    16.41034   -68.00232
  augment  1492.22220  1535.19158  1487.07715     4.43749    12.49900    -4.38431
  Kinetic 45474.70059 43270.31498 43676.31068   -35.32212   -71.22951  -590.19984
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -129.1633130   -381.8516740   -148.6529622    -24.6980455    -50.6362705     -4.6628298
  in kB      -21.5390163    -63.6768231    -24.7890713     -4.1185968     -8.4440034     -0.7775642
  external PRESSURE =     -36.6683036 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.214E+03 -.104E+03 0.235E+03   0.215E+03 0.105E+03 -.236E+03   -.173E+00 -.457E+00 0.146E+01   0.233E-03 -.606E-03 0.143E-02
   -.172E+03 -.130E+03 0.533E+02   0.172E+03 0.131E+03 -.529E+02   0.162E+00 -.132E+01 -.280E+00   0.589E-04 -.383E-03 0.885E-03
   -.138E+03 -.119E+03 0.504E+01   0.138E+03 0.121E+03 -.342E+01   0.358E+00 -.133E+01 -.158E+01   0.202E-03 -.116E-03 0.106E-02
   -.201E+03 -.892E+02 0.323E+03   0.201E+03 0.891E+02 -.326E+03   -.297E+00 0.217E-01 0.252E+01   0.115E-02 -.341E-03 0.156E-02
   -.154E+03 -.142E+03 0.289E+03   0.154E+03 0.143E+03 -.290E+03   0.260E-01 -.704E+00 0.116E+01   0.154E-02 -.110E-03 0.176E-02
   -.126E+03 -.107E+03 0.168E+03   0.126E+03 0.107E+03 -.168E+03   0.154E+00 -.189E+00 0.235E+00   0.842E-03 0.108E-03 0.131E-02
   -.215E+03 -.125E+03 0.164E+03   0.215E+03 0.129E+03 -.165E+03   0.472E+00 -.439E+01 0.955E+00   -.522E-03 0.384E-04 0.194E-02
   -.168E+03 -.101E+03 0.306E+02   0.169E+03 0.105E+03 -.326E+02   -.431E+00 -.413E+01 0.215E+01   -.213E-03 -.525E-03 0.807E-04
   -.885E+02 0.337E+01 0.196E+03   0.885E+02 -.333E+01 -.197E+03   0.853E-01 -.607E-01 0.267E+00   0.984E-03 0.256E-03 0.108E-02
   -.702E+02 0.895E+02 0.596E+02   0.698E+02 -.912E+02 -.585E+02   0.472E+00 0.168E+01 -.108E+01   0.702E-03 -.170E-03 0.771E-03
   -.731E+02 0.102E+03 0.126E+03   0.728E+02 -.103E+03 -.126E+03   0.247E+00 0.129E+01 0.168E+00   0.846E-03 -.314E-03 0.593E-03
   -.892E+02 -.589E+01 0.326E+03   0.893E+02 0.551E+01 -.327E+03   -.166E+00 0.967E-01 0.124E+01   0.139E-02 0.510E-03 0.103E-02
   -.959E+02 -.502E+02 0.353E+03   0.961E+02 0.513E+02 -.355E+03   -.213E+00 -.114E+01 0.222E+01   0.129E-02 0.123E-03 0.311E-03
   -.938E+02 0.148E+02 0.291E+03   0.938E+02 -.149E+02 -.292E+03   -.123E-01 0.873E-02 0.148E+01   0.101E-02 -.425E-03 0.331E-03
   -.870E+02 0.913E+02 0.256E+03   0.864E+02 -.948E+02 -.259E+03   0.753E+00 0.387E+01 0.258E+01   0.753E-03 -.113E-02 0.218E-03
   -.660E+02 0.111E+03 0.933E+02   0.658E+02 -.115E+03 -.964E+02   0.206E+00 0.303E+01 0.365E+01   0.699E-03 -.673E-03 0.244E-03
   -.542E+02 0.922E+02 0.410E+02   0.548E+02 -.873E+02 -.365E+02   -.575E+00 -.451E+01 -.446E+01   0.260E-04 -.131E-02 -.783E-04
   0.130E+02 0.196E+03 -.156E+03   -.135E+02 -.197E+03 0.158E+03   0.689E+00 0.188E+01 -.227E+01   0.262E-03 -.125E-02 -.142E-03
   0.381E+02 0.152E+03 -.200E+03   -.384E+02 -.153E+03 0.201E+03   0.325E+00 0.155E+00 -.195E+01   0.177E-03 -.899E-03 0.972E-04
   -.587E+02 0.913E+02 0.173E+03   0.599E+02 -.903E+02 -.177E+03   -.111E+01 -.966E+00 0.332E+01   -.446E-03 -.127E-02 0.403E-03
   0.952E+01 0.558E+02 0.575E+01   -.106E+02 -.574E+02 -.472E+01   0.114E+01 0.135E+01 -.152E+01   -.584E-03 -.689E-03 0.185E-03
   0.280E+02 0.105E+02 -.121E+03   -.281E+02 -.106E+02 0.122E+03   0.623E-01 0.254E+00 -.850E+00   -.237E-03 -.569E-03 0.150E-03
   -.488E+01 -.423E+02 -.164E+03   0.536E+01 0.423E+02 0.164E+03   -.449E+00 -.320E+00 0.464E+00   -.109E-03 -.434E-03 0.218E-03
   -.209E+02 -.809E+02 -.219E+03   0.220E+02 0.826E+02 0.218E+03   -.105E+01 -.177E+01 0.104E+01   -.388E-03 -.241E-03 0.160E-03
   0.144E+00 -.164E+03 -.322E+03   -.747E+00 0.164E+03 0.324E+03   0.547E+00 -.746E+00 -.170E+01   -.397E-03 -.198E-03 0.302E-03
   -.877E+02 -.160E+03 -.147E+03   0.890E+02 0.160E+03 0.145E+03   -.130E+01 -.787E-01 0.150E+01   0.483E-04 -.525E-03 0.783E-03
   -.829E+02 -.270E+03 -.178E+03   0.835E+02 0.271E+03 0.178E+03   -.500E+00 -.845E+00 0.491E+00   0.358E-03 -.249E-03 0.796E-03
   -.294E+02 -.262E+03 -.272E+03   0.294E+02 0.263E+03 0.273E+03   -.144E-02 -.114E+01 -.311E+00   0.386E-03 -.244E-03 0.465E-03
   -.410E+02 -.275E+02 -.210E+03   0.468E+02 0.353E+02 0.205E+03   -.597E+01 -.792E+01 0.480E+01   -.940E-03 -.325E-03 0.660E-03
   -.227E+01 0.491E+02 0.180E+02   -.219E+01 -.577E+02 -.130E+02   0.435E+01 0.851E+01 -.509E+01   -.425E-03 -.583E-03 0.103E-02
   -.163E+03 -.167E+02 -.538E+02   0.164E+03 0.168E+02 0.554E+02   -.129E+00 -.122E+00 -.159E+01   -.296E-03 -.236E-03 0.192E-03
   -.103E+03 -.137E+03 0.133E+03   0.103E+03 0.139E+03 -.133E+03   0.125E+00 -.128E+01 -.314E+00   -.486E-03 -.275E-03 0.777E-03
   -.111E+03 -.152E+03 0.190E+03   0.110E+03 0.154E+03 -.191E+03   0.480E+00 -.166E+01 0.103E+01   -.426E-03 -.266E-03 0.432E-03
   -.263E+03 0.184E+02 -.182E+03   0.263E+03 -.198E+02 0.184E+03   -.267E+00 0.151E+01 -.234E+01   0.492E-03 -.333E-03 -.574E-03
   -.263E+03 -.528E+02 -.188E+03   0.264E+03 0.529E+02 0.189E+03   -.209E+00 -.303E-01 -.115E+01   0.744E-03 -.259E-03 -.632E-03
   -.177E+03 -.705E+02 0.772E+01   0.176E+03 0.703E+02 -.772E+01   0.281E+00 0.127E+00 -.777E-01   0.644E-04 -.421E-03 -.151E-03
   -.815E+02 -.512E+02 -.275E+02   0.823E+02 0.548E+02 0.302E+02   -.820E+00 -.406E+01 -.255E+01   -.531E-03 -.170E-03 0.572E-03
   -.567E+02 -.132E+03 0.991E+02   0.567E+02 0.135E+03 -.952E+02   -.992E-02 -.311E+01 -.371E+01   -.601E-03 -.377E-03 0.142E-02
   -.150E+03 0.494E+02 0.158E+02   0.149E+03 -.496E+02 -.159E+02   0.981E-01 0.358E+00 -.448E-01   0.734E-04 -.430E-03 -.363E-03
   -.723E+02 0.508E+02 0.218E+03   0.720E+02 -.520E+02 -.220E+03   0.276E+00 0.120E+01 0.168E+01   -.159E-03 -.324E-03 -.243E-03
   -.464E+02 0.705E+02 0.138E+03   0.463E+02 -.720E+02 -.138E+03   0.184E+00 0.147E+01 0.275E+00   -.168E-03 -.167E-03 -.265E-03
   -.188E+03 0.979E+02 -.210E+03   0.188E+03 -.988E+02 0.210E+03   -.928E-02 0.821E+00 -.862E+00   0.496E-03 -.397E-03 -.671E-03
   -.161E+03 0.538E+02 -.281E+03   0.162E+03 -.540E+02 0.283E+03   -.336E+00 0.111E+00 -.221E+01   0.422E-03 -.398E-03 -.650E-03
   -.885E+02 0.552E+02 -.124E+03   0.887E+02 -.558E+02 0.126E+03   -.191E+00 0.724E+00 -.133E+01   -.452E-04 -.429E-04 -.708E-03
   -.434E+02 0.938E+02 -.621E+02   0.434E+02 -.983E+02 0.630E+02   -.946E-01 0.459E+01 -.511E+00   -.345E-03 -.134E-03 -.124E-02
   -.900E+01 0.764E+02 0.145E+03   0.865E+01 -.808E+02 -.143E+03   0.340E+00 0.451E+01 -.198E+01   -.342E-03 -.939E-04 0.736E-03
   0.296E+02 0.390E+02 0.109E+03   -.279E+02 -.331E+02 -.111E+03   -.171E+01 -.557E+01 0.192E+01   -.750E-03 -.283E-03 0.343E-03
   -.179E+02 0.126E+03 0.264E+03   0.189E+02 -.127E+03 -.267E+03   -.111E+01 0.102E+01 0.242E+01   -.112E-02 -.616E-04 0.141E-02
   -.297E+02 0.116E+03 0.222E+03   0.307E+02 -.115E+03 -.224E+03   -.806E+00 -.526E+00 0.212E+01   -.116E-02 0.905E-03 0.151E-02
   0.597E+02 0.618E+02 -.292E+02   -.611E+02 -.621E+02 0.321E+02   0.139E+01 0.201E+00 -.277E+01   -.556E-03 -.259E-03 -.101E-02
   0.127E+02 0.212E+02 0.390E+02   -.121E+02 -.223E+02 -.411E+02   -.471E+00 0.103E+01 0.196E+01   -.558E-03 0.198E-03 -.957E-03
   -.160E+02 0.464E+01 0.801E+02   0.165E+02 -.435E+01 -.809E+02   -.492E+00 -.193E+00 0.825E+00   -.913E-03 0.596E-03 0.284E-03
   -.704E+02 -.119E+01 0.272E+02   0.703E+02 0.111E+01 -.265E+02   0.563E-01 0.402E-01 -.655E+00   -.113E-02 0.964E-03 0.481E-03
   -.130E+03 -.116E+02 0.693E+02   0.129E+03 0.126E+02 -.677E+02   0.923E+00 -.841E+00 -.160E+01   -.154E-02 0.124E-02 0.190E-02
   -.212E+03 -.643E+02 0.135E+03   0.214E+03 0.644E+02 -.138E+03   -.157E+01 -.152E+00 0.319E+01   -.143E-02 0.133E-02 0.170E-02
   -.657E+02 -.102E+03 -.116E+03   0.650E+02 0.101E+03 0.117E+03   0.830E+00 0.437E+00 -.179E+01   -.959E-03 -.157E-03 -.135E-02
   -.960E+02 -.101E+03 -.164E+03   0.951E+02 0.102E+03 0.167E+03   0.745E+00 -.127E+01 -.293E+01   -.685E-03 0.431E-03 -.107E-02
   -.158E+03 -.376E+02 0.120E+02   0.156E+03 0.314E+02 -.100E+02   0.143E+01 0.595E+01 -.209E+01   -.734E-03 0.690E-03 0.100E-03
   -.161E+03 0.173E+02 0.116E+03   0.157E+03 -.114E+02 -.108E+03   0.383E+01 -.598E+01 -.804E+01   -.214E-03 0.126E-02 0.130E-02
   -.415E+02 -.876E+01 -.229E+02   0.431E+02 0.245E+01 0.140E+02   -.152E+01 0.638E+01 0.890E+01   -.103E-02 -.193E-04 -.956E-03
   -.328E+03 -.738E+02 0.835E+02   0.329E+03 0.747E+02 -.849E+02   -.178E+00 -.487E+00 0.117E+01   0.963E-04 0.896E-03 0.566E-03
   -.325E+03 -.101E+03 -.850E+02   0.325E+03 0.103E+03 0.854E+02   -.618E-02 -.141E+01 -.536E+00   0.816E-04 0.788E-03 -.551E-03
   -.292E+03 -.857E+02 -.135E+03   0.292E+03 0.867E+02 0.137E+03   -.804E-01 -.134E+01 -.161E+01   0.413E-03 0.154E-02 -.502E-03
   -.273E+03 -.547E+02 0.173E+03   0.273E+03 0.545E+02 -.176E+03   -.135E+00 -.560E-01 0.230E+01   0.621E-03 0.144E-02 0.515E-03
   -.225E+03 -.103E+03 0.132E+03   0.225E+03 0.104E+03 -.133E+03   0.146E+00 -.735E+00 0.984E+00   0.886E-03 0.132E-02 0.292E-03
   -.245E+03 -.704E+02 0.117E+01   0.245E+03 0.706E+02 -.137E+01   0.235E-01 -.998E-01 -.178E+00   0.633E-03 0.137E-02 0.107E-03
   -.348E+03 -.106E+03 0.191E+02   0.348E+03 0.110E+03 -.201E+02   -.132E+00 -.443E+01 0.578E+00   -.212E-03 0.138E-02 0.121E-02
   -.327E+03 -.975E+02 -.534E+02   0.327E+03 0.102E+03 0.527E+02   -.665E+00 -.426E+01 0.200E+01   -.121E-03 0.808E-03 -.212E-02
   -.209E+03 0.406E+02 0.189E+02   0.209E+03 -.407E+02 -.190E+02   -.444E-01 -.824E-01 0.562E-01   0.644E-03 0.743E-03 0.149E-03
   -.236E+03 0.117E+03 -.870E+02   0.236E+03 -.119E+03 0.883E+02   0.410E-01 0.168E+01 -.123E+01   0.716E-03 0.264E-03 -.523E-04
   -.228E+03 0.124E+03 -.836E+01   0.228E+03 -.126E+03 0.831E+01   0.909E-01 0.148E+01 0.136E+00   0.581E-03 -.618E-03 -.127E-03
   -.150E+03 0.409E+02 0.133E+03   0.150E+03 -.414E+02 -.134E+03   -.381E-01 0.266E+00 0.126E+01   0.467E-03 -.680E-05 0.271E-03
   -.145E+03 -.166E+02 0.143E+03   0.145E+03 0.177E+02 -.146E+03   0.136E-01 -.102E+01 0.256E+01   0.254E-03 -.573E-03 0.229E-03
   -.197E+03 0.324E+02 0.119E+03   0.197E+03 -.328E+02 -.120E+03   -.412E-01 0.272E+00 0.155E+01   0.440E-03 -.905E-03 0.102E-03
   -.215E+03 0.959E+02 0.117E+03   0.215E+03 -.996E+02 -.120E+03   0.347E+00 0.410E+01 0.233E+01   0.331E-03 -.147E-02 -.148E-03
   -.243E+03 0.144E+03 0.553E+02   0.243E+03 -.148E+03 -.582E+02   0.156E-01 0.342E+01 0.338E+01   0.307E-03 -.118E-02 -.784E-03
   -.232E+03 0.106E+03 0.825E+02   0.231E+03 -.101E+03 -.788E+02   0.708E+00 -.482E+01 -.383E+01   -.168E-03 -.125E-02 -.731E-03
   -.115E+03 0.196E+03 0.434E+01   0.114E+03 -.197E+03 -.290E+01   0.126E+01 0.124E+01 -.149E+01   -.421E-03 -.579E-03 -.734E-03
   -.660E+02 0.116E+03 0.339E+02   0.647E+02 -.116E+03 -.321E+02   0.127E+01 -.691E-01 -.176E+01   -.639E-03 0.341E-03 -.371E-03
   -.291E+03 0.100E+03 0.181E+03   0.293E+03 -.998E+02 -.183E+03   -.195E+01 -.316E+00 0.213E+01   -.282E-03 -.870E-03 -.203E-03
   -.188E+03 0.556E+02 0.105E+03   0.187E+03 -.570E+02 -.104E+03   0.125E+01 0.126E+01 -.963E+00   -.696E-03 -.392E-03 0.248E-03
   -.123E+03 -.298E+01 0.793E+02   0.122E+03 0.282E+01 -.789E+02   0.437E+00 0.937E-01 -.488E+00   -.761E-03 0.271E-03 0.133E-03
   -.112E+03 -.718E+01 0.105E+03   0.113E+03 0.733E+01 -.105E+03   -.598E+00 -.168E+00 0.811E+00   -.659E-03 0.323E-03 0.577E-03
   -.577E+02 -.410E+02 0.602E+02   0.589E+02 0.428E+02 -.614E+02   -.128E+01 -.171E+01 0.147E+01   -.463E-03 0.577E-03 0.706E-03
   0.146E+02 -.565E+02 -.312E+02   -.165E+02 0.562E+02 0.336E+02   0.181E+01 0.344E+00 -.214E+01   -.502E-03 0.500E-03 0.803E-03
   -.164E+03 -.128E+03 0.156E+03   0.165E+03 0.128E+03 -.158E+03   -.783E+00 -.206E+00 0.200E+01   -.767E-03 -.146E-04 0.796E-03
   -.136E+03 -.188E+03 0.175E+03   0.137E+03 0.190E+03 -.176E+03   -.118E+01 -.115E+01 0.125E+01   -.591E-03 -.278E-03 0.124E-02
   -.332E+02 -.791E+02 0.869E+02   0.336E+02 0.747E+02 -.910E+02   -.357E+00 0.419E+01 0.381E+01   -.558E-03 0.117E-03 0.117E-02
   -.417E+02 -.301E+02 0.452E+02   0.463E+02 0.391E+02 -.502E+02   -.472E+01 -.887E+01 0.500E+01   -.419E-03 0.752E-03 -.383E-03
   -.231E+03 0.396E+02 0.989E+02   0.225E+03 -.474E+02 -.952E+02   0.636E+01 0.778E+01 -.384E+01   0.970E-03 -.115E-02 0.127E-02
   -.174E+03 -.231E+02 -.116E+03   0.174E+03 0.235E+02 0.118E+03   0.974E-01 -.202E+00 -.154E+01   0.682E-03 0.824E-03 -.750E-03
   -.146E+03 -.138E+03 0.477E+02   0.146E+03 0.139E+03 -.475E+02   0.334E+00 -.140E+01 -.198E+00   0.808E-03 0.757E-03 -.371E-03
   -.145E+03 -.166E+03 0.101E+03   0.145E+03 0.168E+03 -.102E+03   0.423E+00 -.160E+01 0.113E+01   0.101E-02 0.712E-03 -.398E-03
   -.240E+03 0.275E+02 -.204E+03   0.240E+03 -.288E+02 0.207E+03   -.408E+00 0.132E+01 -.236E+01   0.588E-03 0.129E-02 -.732E-03
   -.254E+03 -.451E+02 -.171E+03   0.255E+03 0.453E+02 0.172E+03   -.141E+00 -.126E+00 -.109E+01   0.951E-03 0.117E-02 -.333E-03
   -.176E+03 -.877E+02 -.140E+02   0.176E+03 0.875E+02 0.139E+02   0.171E+00 0.165E+00 0.868E-01   0.100E-02 0.777E-03 -.281E-03
   -.113E+03 -.702E+02 -.973E+02   0.114E+03 0.739E+02 0.999E+02   -.429E+00 -.402E+01 -.233E+01   0.557E-03 0.601E-03 -.722E-03
   -.131E+03 -.130E+03 -.955E+00   0.131E+03 0.133E+03 0.447E+01   0.296E+00 -.322E+01 -.366E+01   0.496E-03 0.566E-03 0.110E-03
   -.135E+03 0.307E+02 0.329E+02   0.135E+03 -.310E+02 -.330E+02   -.424E-01 0.317E+00 -.103E-01   0.110E-02 0.207E-03 -.239E-03
   -.615E+02 0.269E+02 0.173E+03   0.613E+02 -.280E+02 -.175E+03   0.225E+00 0.113E+01 0.169E+01   0.121E-02 -.272E-03 -.229E-03
   -.228E+02 0.610E+02 0.135E+03   0.228E+02 -.624E+02 -.136E+03   0.215E-01 0.148E+01 0.465E+00   0.112E-02 -.418E-03 -.109E-03
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 -----------------------------------------------------------------------------------------------
   0.388E+02 0.112E+02 -.240E+02   0.109E-10 -.233E-11 -.250E-11   -.386E+02 -.112E+02 0.239E+02   -.112E+00 -.541E-02 0.397E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.22605      3.15322      1.34604         0.008443      0.215504     -0.083583
     12.98278      3.60289      2.63874        -0.081893     -0.048062      0.090854
     12.90574      4.96565      2.94561        -0.014978     -0.068028      0.043522
     13.29804      4.06327      0.29514         0.028889     -0.085514      0.028996
     13.18700      5.42504      0.58746         0.027743      0.169314      0.077107
     13.04983      5.92859      1.91003         0.052537     -0.064460     -0.032202
     13.33367      1.67403      1.35264         0.182641     -0.152751     -0.310618
     12.79014      2.39218      3.50190         0.098433     -0.034683      0.092630
     13.11630      7.40613      2.19637         0.010038     -0.018524      0.016729
     13.09964      7.90923      3.52398         0.103935     -0.089396      0.010088
     13.31454      9.26660      3.74382        -0.017978      0.041824      0.155605
     13.28615      8.35900      1.15365        -0.045551     -0.285096     -0.047464
     13.48973      9.72055      1.38983         0.053945     -0.046571     -0.112811
     13.51950     10.16070      2.70408         0.038374     -0.088298     -0.121236
     13.76852     11.51061      3.25186         0.136251      0.366463     -0.031805
     13.39225     10.03528      5.01951        -0.015862     -0.163908      0.582217
     13.74307     12.48786      5.60761         0.015469      0.338843      0.033031
     13.48123     12.33824      6.97853         0.159232      0.082254     -0.152977
     13.56783     13.43374      7.83851        -0.023012     -0.142804     -0.128610
     14.09543     13.78151      5.18244         0.032541      0.024083     -0.021317
     14.17252     14.87913      6.06634         0.032157     -0.241108     -0.487278
     13.87440     14.75266      7.45597         0.012070      0.112969      0.242460
     13.92506     15.87686      8.48226         0.026289     -0.284902     -0.084342
     13.19928     15.95861      9.71978         0.051998     -0.039495     -0.052092
     13.25621     17.12385     10.49797        -0.055479      0.041797      0.084596
     14.76802     16.97437      8.22712         0.007685     -0.058730      0.007213
     14.77526     18.14808      8.96742         0.057432     -0.014985      0.271252
     13.99265     18.23691     10.10936        -0.045330      0.159849      0.113467
     12.37798     14.85033     10.33755        -0.158640     -0.066660      0.019010
     14.73082     16.10690      5.36575        -0.113416     -0.072272     -0.124155
      9.89953      3.83678      4.65295         0.079170     -0.014692      0.066088
      9.70374      4.75576      3.62920        -0.012846      0.145497     -0.177888
      9.70760      6.14192      3.87478         0.010368      0.042490     -0.123891
     10.22145      4.27501      5.93352         0.058869      0.129363      0.094699
     10.31334      5.65114      6.16268         0.032885      0.075819     -0.001746
     10.01819      6.63086      5.17532        -0.023104     -0.061296     -0.076226
      9.72859      2.45572      4.12427        -0.084086     -0.478948      0.085201
      9.56482      3.97304      2.34636        -0.012624     -0.222251      0.206265
     10.05802      8.09874      5.54274         0.029127      0.116163     -0.151162
     10.05750      9.15371      4.58683         0.045352     -0.061384     -0.157349
     10.14980     10.48244      5.01432         0.031966      0.028208     -0.128635
     10.11122      8.49807      6.90336         0.053701     -0.083035     -0.026005
     10.20017      9.83127      7.32575        -0.132034     -0.091220      0.090179
     10.21741     10.83042      6.36037         0.048507      0.027387     -0.016212
     10.29035     12.31561      6.48189        -0.081326      0.078457      0.339149
     10.22855     11.74777      4.21917        -0.017560      0.084299     -0.221406
     10.68887     14.19594      4.80445        -0.004994      0.285474      0.156394
     11.23913     14.53903      3.56751        -0.069924     -0.012059     -0.037996
     11.60320     15.85636      3.28356         0.118087     -0.064932      0.069038
     10.54535     15.26596      5.71334         0.039110     -0.100655      0.097105
     10.96317     16.58725      5.44305         0.085007     -0.093439     -0.151060
     11.54588     16.95595      4.16343         0.037202      0.091551      0.014602
     12.07402     18.32769      3.70328        -0.040373     -0.030985     -0.018826
     12.69863     18.71193      2.44568         0.010316      0.145739      0.027621
     12.98778     20.06267      2.16586         0.031327     -0.055124      0.027673
     11.93182     19.43487      4.56562         0.078533      0.110836     -0.105208
     12.23042     20.77109      4.29192        -0.130813     -0.133165      0.032672
     12.73616     21.13263      3.04612         0.022916     -0.301213     -0.134699
     13.21563     17.81693      1.31012         0.245163     -0.050742     -0.014118
     10.76867     17.50439      6.64297         0.090869      0.072882     -0.020638
     10.68638      7.05907     14.88506         0.016760      0.363460     -0.155329
     10.62995      7.49629     16.20718        -0.044814      0.037540     -0.096670
     10.64366      8.86803     16.52531        -0.081495     -0.396985      0.204002
     10.69071      7.98561     13.83996        -0.034621     -0.251381      0.030524
     10.65300      9.34009     14.15832         0.105542      0.191445      0.103057
     10.67002      9.83376     15.49389         0.021949      0.092970     -0.375984
     10.63755      5.57913     14.84042         0.056480     -0.304073     -0.378022
     10.46364      6.26511     17.05677        -0.075012     -0.119501      1.328232
     10.70665     11.32655     15.73130        -0.044084     -0.156479     -0.036278
     10.77219     11.90812     17.02507         0.057239      0.009998      0.013947
     10.82851     13.29786     17.13817         0.009190      0.148293      0.091165
     10.69241     12.21763     14.62280        -0.014851     -0.211432      0.092999
     10.78409     13.60213     14.74745         0.076240      0.029884      0.046145
     10.85544     14.13631     16.02520         0.021335     -0.039545      0.029974
     10.94189     15.55062     16.46946         0.048137      0.389774     -0.157315
     10.85434     14.17257     18.35182         0.089678     -0.081378      0.537809
     10.80986     16.70039     18.72350         0.198922      0.176465     -0.090798
     10.05576     16.70596     19.88664         0.011670      0.193747     -0.041488
      9.86588     17.88655     20.60775        -0.074791      0.001511      0.049283
     11.43214     17.91604     18.39332        -0.087903     -0.024528      0.046544
     11.28520     19.09417     19.15912        -0.117379     -0.092421      0.026080
     10.42703     19.15111     20.33671         0.045685     -0.064100     -0.049478
     10.08856     20.33972      0.02060        -0.022006     -0.012977     -0.058152
      9.35590     20.29932      1.27120        -0.112785      0.044393      0.257852
      9.16943      0.18655      2.08069        -0.056783      0.050293      0.269578
     10.48819      0.40427     20.97811         0.167583      0.010439     -0.016366
     10.34658      1.53115      0.54369        -0.153873      0.074036      0.010367
      9.69095      1.45817      1.78025         0.091641     -0.283260     -0.248696
      8.70200     19.07479      1.90768        -0.088754      0.096616      0.075007
     12.16465     20.21065     18.62507         0.170443      0.028914     -0.154641
      7.32696      7.66837     17.27205         0.137205      0.196459     -0.002034
      7.10244      8.58760     16.24837         0.101818     -0.024304     -0.069921
      7.05767      9.96680     16.50797         0.045554      0.060823     -0.014204
      7.64907      8.10025     18.55186        -0.014689      0.016899      0.052748
      7.67421      9.47595     18.79378         0.043910      0.068964     -0.002867
      7.33161     10.45392     17.82013        -0.035582     -0.010798      0.009194
      7.23212      6.29123     16.74092        -0.077288     -0.364984      0.260423
      7.03799      7.79000     14.96637        -0.052469      0.035906     -0.145607
      7.28569     11.92133     18.22214        -0.040800      0.048470     -0.081235
      7.08473     13.00236     17.31477         0.012087     -0.011199     -0.135615
      7.10254     14.32452     17.78005         0.014283      0.128106     -0.062781
      7.45583     12.28699     19.58570         0.037627     -0.202946     -0.105895
      7.42917     13.60291     20.05294        -0.128278      0.090981     -0.026248
      7.24406     14.63451     19.13297        -0.014255     -0.134637      0.042630
      7.18424     16.11678     19.31362        -0.073117      0.081929      0.065374
      7.04839     15.63180     17.03467        -0.020720      0.231502     -0.403315
      7.51969     18.06953     17.70712        -0.082605      0.299104      0.019595
      8.39133     18.41819     16.67421         0.029909     -0.154910     -0.002573
      8.81368     19.73888     16.50125         0.215626     -0.140022     -0.028545
      7.03987     19.15719     18.46163         0.046223     -0.165578      0.087388
      7.44179     20.49921     18.26038         0.180678     -0.007561     -0.140160
      8.43303     20.86137     17.25746        -0.164706      0.068310      0.092882
      9.04806      0.98507     16.93041         0.168830      0.052297     -0.196927
      9.86908      1.38155     15.79290        -0.169217     -0.216768      0.038875
     10.31596      2.70174     15.62651         0.087166      0.154074      0.046858
      8.83005      2.08358     17.78359         0.148268     -0.000272      0.056632
      9.26445      3.40114     17.60783         0.117287      0.299923      0.080740
     10.02493      3.76666     16.49227        -0.198564     -0.176223      0.243504
     10.40191      0.52234     14.63749        -0.285487      0.414954      0.034121
      6.71646      0.20416     19.18433         0.067412      0.004797      0.149221
      6.87462     10.80417      6.32622        -0.029478      0.128744     -0.132877
      6.88727     11.26857      7.63554         0.012900     -0.054981      0.107691
      6.93301     12.64088      7.94357         0.045124     -0.067014      0.145246
      6.92029     11.72644      5.27687        -0.048495     -0.088257      0.082627
      6.96354     13.09258      5.58187         0.000428      0.160153      0.109907
      6.96958     13.61728      6.90763         0.007027     -0.045523     -0.060217
      6.87330      9.30721      6.32439        -0.004907     -0.051713     -0.149432
      6.89445     10.05482      8.53033         0.019441      0.090955      0.136180
      7.04126     15.12619      7.14477         0.037078      0.022949     -0.076160
      7.16786     15.72944      8.42794         0.069397     -0.014885      0.068898
      7.26983     17.12739      8.54821         0.047497     -0.058255     -0.022768
      7.04933     16.03198      6.04073         0.017351     -0.319755      0.019074
      7.15223     17.41854      6.16484        -0.076965     -0.026171      0.042241
      7.23070     17.96635      7.43946        -0.036143     -0.164980     -0.166484
      7.36381     19.38817      7.85729        -0.033085      0.206948     -0.121656
      7.53544     18.00040      9.73903         0.030994     -0.088917      0.379600
      7.76091     20.51725     10.10309         0.075808      0.238948      0.199903
      7.24800     20.51088     11.39738        -0.057794     -0.218566     -0.015601
      7.23156      0.40094     12.18011         0.015692     -0.038419     -0.175957
      8.42701      0.44387      9.73854         0.017791     -0.022475     -0.036807
      8.55241      1.56150     10.60356        -0.131829     -0.076990     -0.068540
      7.82757      1.62996     11.86414         0.129874      0.168631     -0.139977
      7.60082      2.82461     12.80791         0.088260     -0.028411     -0.317937
      6.97735      2.81396     14.10707        -0.264159      0.042421      0.392125
      6.77680      4.01545     14.82541        -0.044763     -0.080774      0.070530
      7.95059      4.13457     12.39156         0.118807     -0.036929      0.059023
      7.84921      5.30206     13.16330        -0.109681      0.196447      0.034435
      7.23898      5.27681     14.42456         0.089631     -0.396892     -0.110554
      6.34699      1.63527     14.88687        -0.123535      0.310001      0.292897
      9.58144      2.57026     10.09867        -0.007545      0.165081      0.233861
      4.29361     11.57625     10.29595         0.074643      0.010969      0.144336
      4.08828     12.44352      9.23189        -0.029988      0.027689     -0.081234
      4.28099     13.82495      9.37229        -0.065208     -0.049343     -0.100081
      4.76490     12.05339     11.51758        -0.068696      0.068810     -0.039948
      4.84611     13.43599     11.69400        -0.042966      0.163708     -0.056157
      4.56855     14.36509     10.65304        -0.023592     -0.099889      0.017496
      3.86849     10.20658      9.91922         0.030842     -0.126882      0.052378
      3.60214     11.61491      8.07465        -0.040849      0.086086     -0.463495
      4.52388     15.84315     10.93586        -0.049814      0.065244     -0.111810
      4.07853     16.78414      9.96181        -0.046589     -0.041130     -0.127819
      4.04899     18.14798     10.27269         0.084018      0.045332     -0.081459
      4.89918     16.35030     12.20742         0.047981     -0.224035     -0.063285
      4.78263     17.69646     12.54357        -0.016140     -0.051559      0.064735
      4.35746     18.57616     11.55980        -0.020785      0.084899      0.190858
      4.24423     20.04375     11.64621        -0.088705      0.117223      0.074258
      3.84818     19.38874      9.42889         0.177014     -0.021774      0.681760
      4.38311      0.60463      9.95060         0.123716      0.256533      0.059194
      4.95859      0.96733      8.73296        -0.063346     -0.074868     -0.119015
      5.49516      2.23753      8.57074         0.277544      0.295732      0.065256
      4.26387      1.65603     10.86423        -0.006562      0.035491      0.085446
      4.72545      2.98379     10.65168        -0.005025     -0.039981     -0.030725
      5.48297      3.33732      9.47115         0.007877      0.034167      0.132170
      6.11503      4.70514      9.04741        -0.136368     -0.200590     -0.159254
      6.57502      5.05485      7.71949        -0.105232      0.071664     -0.145388
      6.81307      6.39110      7.31416        -0.010961     -0.041491     -0.055121
      6.15139      5.83284      9.90492        -0.003039      0.144283     -0.039636
      6.35236      7.17005      9.49789         0.080774     -0.077324     -0.056638
      6.64926      7.50959      8.16101        -0.023958     -0.363905      0.156696
      6.79662      4.06603      6.57466         0.101058      0.033361      0.197068
      4.07443      3.79520     11.77190         0.044764      0.054502     -0.306885
      0.76970     14.06849      1.08580        -0.146271     -0.311550     -0.099468
      1.49891     14.50309      2.18668         0.019156     -0.028849     -0.085843
      1.54072     15.89267      2.48015        -0.081127     -0.030341      0.018102
      0.16587     14.93501      0.19056         0.050086     -0.080138      0.007229
      0.30622     16.29421      0.42591        -0.007383      0.230206     -0.070755
      0.93015     16.83512      1.58578         0.001663      0.020777     -0.163282
      0.72928     12.59117      1.01961        -0.006187     -0.032227      0.196092
      2.12868     13.22868      2.77249         0.314964     -0.221313      0.351497
      0.90623     18.36539      1.72348        -0.037779      0.018567     -0.084020
      1.35077     19.11750      2.84611         0.066712      0.014470      0.120114
      1.25255     20.52469      2.84286         0.029312      0.135064      0.104111
      0.38675     19.14170      0.64252        -0.098237     -0.135359     -0.054690
      0.23207     20.52734      0.66346         0.011068      0.102392     -0.034703
      0.66972     -0.04133      1.78678        -0.096994     -0.045546     -0.134148
      0.61211      1.41802      2.06791        -0.054481      0.289630      0.065865
      1.71338      0.31337      3.82606         0.081711      0.118092      0.252366
      1.33096      2.87594      4.04647         0.047842      0.127433      0.032640
      2.04234      2.98225      5.25025         0.013211     -0.135118      0.028967
      2.18097      4.19886      5.91146         0.021507      0.024540     -0.118497
      0.70261      4.07325      3.63320        -0.000257     -0.033109     -0.026039
      0.77721      5.27399      4.38741        -0.184848     -0.155993     -0.404510
      1.59222      5.42850      5.54831         0.242305      0.189344      0.179276
      1.94807      6.70490      6.35438         0.144396     -0.284542      0.253404
      2.39621      6.71639      7.72362         0.138059      0.148191      0.089985
      2.84286      7.88075      8.37416         0.041348     -0.015017      0.184480
      2.00929      8.00728      5.79960        -0.013664      0.235001      0.031149
      2.46775      9.18018      6.44379         0.159928     -0.069950      0.123834
      2.91870      9.14954      7.78268         0.006611     -0.248796     -0.188698
      2.61607      5.52241      8.62938        -0.153080     -0.153723     -0.132253
     -0.05837      6.38473      3.79889        -0.112839      0.015093      0.462201
      4.51117     14.15441      0.59819        -0.003108      0.345178      0.055974
      3.94197     15.08072     -0.27605        -0.038789     -0.032626     -0.031796
      4.01109     16.46886     -0.04768        -0.184233      0.055393     -0.067618
      5.13754     14.62399      1.75592        -0.080152     -0.052510     -0.203413
      5.13923     16.00519      2.00780         0.015068      0.081591      0.179664
      4.58409     17.00101      1.14446         0.009866     -0.100102      0.179959
      4.29801     12.77408      0.07009         0.168328      0.031400      0.059714
      3.27382     14.28498     19.88349        -0.182303      0.259538     -0.422498
      4.61110     18.49205      1.57177         0.020260     -0.161795      0.045664
      4.15702     19.61662      0.82009        -0.100358      0.141081     -0.063945
      4.28590     20.93139      1.32967         0.028765      0.224532      0.063896
      5.13093     18.81465      2.85374         0.038580     -0.198960      0.032045
      5.30724     20.10741      3.34833        -0.029255      0.162319     -0.042229
      4.90481     21.17764      2.55537         0.096669     -0.023308      0.003964
      5.05334      1.39252      2.78494         0.191621      0.150821      0.169111
      3.84572      1.03592      0.80658         0.026798     -0.088602      0.005677
      4.05659      3.48643      1.67532         0.065538     -0.197886      0.008841
      3.22419      4.04125      0.69063         0.000451      0.047336     -0.105014
      2.97812      5.41296      0.63197        -0.069036      0.322842      0.225965
      4.58852      4.42393      2.58516        -0.148639      0.102729     -0.115600
      4.21881      5.79948      2.59680         0.052210     -0.376461      0.035554
      3.37198      6.38174      1.59978         0.199419     -0.163241     -0.102386
      2.93094      7.84717      1.56940         0.142496      0.313433     -0.101320
      1.67388      8.38104      1.12122         0.173042     -0.160830     -0.307998
      1.31740      9.72313      1.32947         0.015720      0.082041     -0.070229
      3.77806      8.86780      2.07701        -0.220143     -0.041911      0.063451
      3.40945     10.20505      2.32452         0.244047      0.216640     -0.076299
      2.14775     10.69345      1.93668        -0.205202     -0.226580     -0.170304
      0.66627      7.61204      0.25506        -0.052865     -0.177074      0.381289
      4.87499      6.49026      3.78424        -0.064838     -0.170352      0.040406
     18.01814     17.31655     13.93592         0.018172      0.268552      0.044284
     18.96752     17.79124     14.83634         0.109182      0.063843      0.042628
     19.18311     19.16504     15.03870         0.092215     -0.086505      0.054472
     17.33341     18.21870     13.12489        -0.059429      0.050090      0.023588
     17.61276     19.58473     13.25639         0.041544      0.057666      0.067521
     18.48830     20.11909     14.24122        -0.074438     -0.213867      0.076818
     17.99777     15.82884     13.98496        -0.281016     -0.068096     -0.135368
     19.68736     16.59306     15.38745         0.361885      0.123329      0.392677
     18.62271      0.35390     14.42139         0.027833      0.136323      0.149677
     19.47608      0.94394     15.39110         0.148021      0.079104      0.233994
     19.50957      2.33707     15.54832         0.057101      0.035322      0.112751
     17.83880      1.26099     13.65726         0.045049     -0.137818      0.057627
     17.87151      2.65034     13.81923        -0.023525     -0.009031      0.026499
     18.72046      3.19111     14.78330        -0.130088     -0.140909     -0.028057
     18.94310      4.60206     15.21392        -0.093152      0.331325     -0.090339
     20.30813      3.19041     16.49582        -0.013727      0.006059      0.043648
     20.51490      5.72392     16.87334        -0.101881      0.190843      0.144283
      0.58720      5.73112     17.27034         0.175084      0.202384      0.080396
      1.21217      6.90579     17.70454        -0.043834     -0.304547     -0.155451
     19.82676      6.92200     17.11578         0.084044      0.175405      0.087942
     20.42581      8.07455     17.69301        -0.136927     -0.187488     -0.190954
      0.58746      8.13780     17.95264         0.121034      0.318175      0.132276
      1.43653      9.32247     18.50378        -0.268410      0.097272     -0.278786
      2.79166      9.32326     19.01247         0.344689      0.031532     -0.083743
      3.40307     10.51976     19.46299        -0.337254      0.175553     -0.051436
      0.87227     10.62644     18.50997         0.277554     -0.123301      0.327728
      1.46003     11.78402     19.04907        -0.051949      0.137513     -0.217029
      2.76595     11.76274     19.55008         0.001753     -0.219340      0.119306
      3.90176      8.24845     19.01792         0.193135     -0.144878      0.095310
     19.39502      9.15863     18.00271        -0.095102     -0.123117     -0.191928
      1.70040     18.33979     14.15245         0.055977      0.098662      0.003763
      1.03239     19.24713     13.33152        -0.246479     -0.102453     -0.076650
      1.07808     20.62340     13.55031         0.055452      0.018656     -0.041102
      2.45853     18.78940     15.22533         0.044619      0.175662      0.096419
      2.50487     20.16441     15.46737        -0.091275      0.156681      0.002920
      1.82926     21.11110     14.65492        -0.143736     -0.042585     -0.074635
      1.43608     16.96187     13.68149         0.110976     -0.126797     -0.030621
      0.27650     18.45081     12.31368        -0.465166      0.304163     -0.597665
      1.96224      1.30971     14.93904         0.042462      0.262123      0.017385
      1.46229      2.30212     14.06154        -0.185535      0.044591     -0.093062
      1.73889      3.64429     14.31828        -0.214645     -0.088939     -0.161431
      2.62977      1.77158     16.10233         0.004689     -0.017003     -0.124360
      2.98447      3.10759     16.30145         0.037927     -0.148061      0.112510
      2.57303      4.04081     15.35833        -0.025170     -0.117812     -0.039721
      2.78378      5.50258     15.27028         0.581935      0.550825      0.452343
      1.21505      4.87386     13.64710         1.066865     -0.179075      1.213022
      1.41646      7.33253     14.21187         0.371685      0.355491      0.088553
      0.09583      7.64009     13.90832        -0.031071     -0.010404      0.098498
     20.89645      8.93967     14.06769        -0.011150      0.083960      0.045835
      2.24516      8.42230     14.54635         0.023730     -0.038257      0.079089
      1.78030      9.75265     14.65905        -0.064551     -0.271710      0.064689
      0.37462     10.07282     14.46871        -0.050902     -0.019766     -0.022276
     20.87739     11.40102     14.61749        -0.061963      0.062842     -0.017046
     19.47413     11.66808     14.30864         0.031930      0.174792      0.056308
     18.93319     12.96774     14.41856        -0.122537     -0.017099      0.003149
      0.28150     12.56230     15.08521        -0.096973      0.014765      0.044247
     -0.25885     13.85208     15.16879        -0.066333     -0.137224     -0.103380
     19.67412     14.10069     14.81012        -0.149258     -0.351380     -0.059097
     18.37465     10.66935     13.91555        -0.193576     -0.026451      0.120425
      2.89115     10.71196     15.05705        -0.154188      0.077969     -0.053941
     16.43453      0.42602      5.26756        -0.145855      0.110616     -0.092623
     16.95299      0.77718      6.50863        -0.025998     -0.007564      0.020226
     16.83042      2.08716      7.00813         0.033210      0.082916      0.083366
     15.81089      1.36128      4.46587         0.010424      0.101094      0.054300
     15.73496      2.66991      4.93632        -0.003811      0.202391      0.048589
     16.22197      3.09841      6.20363        -0.031959     -0.049551     -0.080549
     16.74436     20.28094      4.94000        -0.090170     -0.094555     -0.178153
     17.69341     20.82488      7.00503         0.181596     -0.102144      0.356347
     16.17382      4.59185      6.52533        -0.052615      0.029327     -0.086690
     16.64937      5.22886      7.70869         0.027339     -0.084423      0.048313
     16.68690      6.63541      7.77541        -0.094458      0.000994      0.095369
     15.68322      5.47006      5.51553         0.039840     -0.186218      0.001343
     15.75949      6.85896      5.57310        -0.061998      0.002323     -0.019657
     16.27675      7.44293      6.71927        -0.129252     -0.082955     -0.059929
     16.51316      8.87586      7.02609         0.017388      0.109379      0.123029
     17.20207      7.55559      8.84146         0.160128      0.025180      0.573925
     17.62554     10.08595      8.96719         0.088291      0.262483      0.187495
     18.65090      9.99727      9.90843        -0.038207      0.106600      0.251005
     19.24909     11.13906     10.45856        -0.185645     -0.242224     -0.149557
     17.20536     11.40003      8.68593        -0.015370      0.041433     -0.056662
     17.83699     12.54814      9.22815        -0.175164     -0.223237     -0.127446
     18.94329     12.46805     10.13878         0.147735      0.164074      0.176636
     19.74665     13.61303     10.79190         0.003899      0.026258     -0.054508
     21.07836     13.56498     11.34541         0.260986      0.015437      0.136417
      0.43015     14.70931     11.90621         0.163145     -0.090890      0.032358
     19.17597     14.90289     10.92996        -0.096810     -0.124438      0.129402
     19.79527     16.03751     11.46098         0.168403     -0.099169      0.086203
     21.09378     15.96632     11.97685        -0.056795     -0.198206     -0.181814
      0.86914     12.44358     11.31918        -0.117607      0.170941     -0.035953
     17.15211     13.82016      8.80386         0.073933      0.143975     -0.189787
     20.22557      1.54005      6.26515         0.136885     -0.058859      0.065939
     19.62161      2.55835      5.51990         0.085418      0.106757      0.188056
     19.50135      3.84761      6.00606         0.014806     -0.148631      0.094219
     20.71291      1.79061      7.54011        -0.075539      0.300351      0.148925
     20.56959      3.09215      8.04962         0.013742     -0.046203      0.069218
     19.98472      4.15022      7.30353        -0.037133     -0.014863     -0.100439
     20.25949      0.30206      5.44146        -0.046916      0.047994     -0.029041
     19.22982      2.01007      4.19619        -0.196006      0.074153     -0.355655
     19.99784      5.57028      7.75891        -0.115712      0.055641      0.010942
     19.53980      6.59464      6.90027        -0.034155     -0.122210     -0.098057
     19.86835      7.91509      7.17264        -0.094816      0.055368     -0.098206
     -0.73042      5.97260      9.00626        -0.030924     -0.020419      0.096356
     -0.44605      7.30904      9.29664         0.092191     -0.118692      0.097460
     20.57171      8.25937      8.30917         0.173648      0.324141      0.207272
     -0.29736      9.69892      8.21344        -1.283875     -1.329808     -1.277630
     19.62460      9.14972      6.36628         0.867504     -0.261625      1.232693
     20.27702     11.59164      6.64704         0.170045      0.254993      0.112614
     19.30893     12.03914      5.74035        -0.094864      0.039195     -0.034534
     19.13861     13.39346      5.47915        -0.097243     -0.061040      0.084572
     21.14011     12.58653      7.16501         0.077675     -0.012103      0.079098
     20.98278     13.95523      6.85939         0.001131     -0.206027      0.124337
     19.90345     14.42535      6.04920         0.003735      0.320688     -0.001871
     19.45080     15.86310      5.87885         0.024168     -0.091153      0.117245
     18.76464     16.41104      4.75049        -0.134195      0.104027     -0.142268
     18.19462     17.69755      4.79723         0.038094     -0.075899     -0.060739
     19.55361     16.75905      6.97385        -0.074989      0.038840     -0.082618
     19.02528     18.05163      7.00869        -0.017135     -0.119408      0.032611
     18.27330     18.53612      5.92958         0.089959     -0.148178     -0.039530
     18.49420     15.67294      3.43592        -0.009886     -0.016455      0.027350
      0.78522     14.86936      7.43440         0.068066      0.187230     -0.000573
     12.70874      5.26612      3.97758         0.058770     -0.031484     -0.044769
     13.41580      3.71435     20.52736         0.049287      0.046395     -0.027434
     13.21068      6.11836     21.00414         0.061810     -0.022801      0.047303
     12.95668      7.25898      4.38881        -0.005381     -0.009547     -0.058416
     13.27288      8.02110      0.11470         0.033867      0.043739      0.082469
     13.65231     10.42193      0.57326        -0.034396      0.012091     -0.115437
     13.44568     13.20944      8.88605        -0.086629     -0.045948      0.104836
     13.23281     11.35687      7.36358         0.024476     -0.058480      0.191779
     14.30485     13.95483      4.12435         0.018567     -0.112217      0.324771
     12.69540     17.16618     11.43251         0.000132     -0.040073     -0.086606
     15.46761     16.91906      7.41206         0.070223     -0.011301     -0.014156
     15.41136     18.98270      8.66648         0.058032     -0.047312     -0.027479
      9.46078      6.83228      3.06186         0.060342     -0.086182      0.040510
     10.39154      3.57590      6.75176         0.063929     -0.066880     -0.053938
     10.62555      5.97681      7.15778        -0.049903     -0.080456     -0.062057
     10.00390      8.95499      3.51183         0.015032     -0.037198      0.103689
     10.06392      7.73357      7.67758         0.014341      0.006222      0.044076
     10.23109     10.06593      8.39330         0.019748      0.023132     -0.076956
     11.99524     16.00877      2.29366         0.062291     -0.075476     -0.048954
     11.41271     13.77068      2.82301        -0.014228      0.023245     -0.211074
     10.15854     15.05077      6.70659         0.002185     -0.001326     -0.116545
     13.43833     20.28546      1.20780         0.012894      0.061136      0.002551
     11.56305     19.27873      5.55902        -0.105159      0.128341     -0.038504
     12.00527      0.26435      5.03617         0.019400      0.030732      0.188831
     10.56449      9.17013     17.56860         0.092250     -0.013502      0.096134
     10.67725      7.66000     12.79543         0.049918      0.001971      0.108809
     10.60203     10.04265     13.32568         0.071045     -0.092078      0.046676
     10.78792     11.30856     17.93966        -0.021838     -0.022087     -0.107944
     10.60700     11.82384     13.61208         0.059030      0.005227     -0.000766
     10.81829     14.24275     13.87098        -0.055944      0.084483     -0.165538
      9.19498     17.76919      0.18139         0.059491     -0.052851     -0.218212
      9.56754     15.79916     20.21805        -0.009135     -0.107853      0.194816
     12.04039     17.96391     17.49369        -0.004828     -0.013801      0.095734
      8.62512      0.05962      3.01837         0.123983      0.087799     -0.182418
     10.96508      0.60559     20.02843         0.067941     -0.029056      0.090001
     10.76223      2.48162      0.21038        -0.102965     -0.021647     -0.141495
      6.80793     10.65794     15.70244         0.034288     -0.006405     -0.066422
      7.89775      7.38527     19.34064        -0.038024      0.064314     -0.057027
      7.98487      9.78835     19.79025        -0.074796      0.003402      0.003514
      6.92580     12.83862     16.24628         0.078639     -0.084208      0.010886
      7.61413     11.50826     20.33142        -0.056983      0.064646      0.003397
      7.55027     13.79455     -0.13864         0.025496      0.070308     -0.036991
      9.51729     19.87187     15.69743         0.155616     -0.114166      0.063700
      8.79614     17.65761     16.00952         0.049673      0.017401     -0.048072
      6.34714     18.95750     19.27363        -0.023958     -0.021250     -0.024590
     10.87550      2.89937     14.72883         0.186992      0.190271     -0.085406
      8.28573      1.93254     18.69415        -0.146202      0.035493      0.123777
      8.94070      4.14969     18.32936         0.168209     -0.123831      0.069802
      6.92499     12.92757      8.99615         0.125471      0.054080     -0.017123
      6.93922     11.39926      4.23456        -0.034629     -0.016115      0.042650
      7.01910     13.78129      4.73666        -0.028080     -0.061837      0.043584
      7.21372     15.12309      9.33374         0.048069     -0.024084      0.000015
      7.01688     15.63609      5.02610        -0.021069     -0.025217      0.002220
      7.24992     18.05984      5.28797        -0.142805     -0.041141     -0.050172
      6.69182      0.29718     13.09739        -0.173104     -0.072558      0.119075
      6.83227     19.58715     11.78918        -0.076662      0.066352      0.130191
      8.87783      0.51310      8.75075         0.118435     -0.053896      0.035515
      6.24302      3.95817     15.76601         0.075895     -0.002679      0.017726
      8.34893      4.27568     11.39179         0.066871     -0.015170      0.112430
      8.26269      6.23636     12.78311        -0.133821     -0.042395     -0.178141
      4.19834     14.47325      8.49891        -0.170161     -0.059911      0.061288
      5.00754     11.37850     12.33614        -0.088456     -0.079888      0.027113
      5.07223     13.80926     12.69565         0.064505     -0.087542     -0.097487
      3.75791     16.44864      8.97268         0.063414      0.056187      0.014064
      5.31821     15.68648     12.96407        -0.071735     -0.014408     -0.016380
      5.05786     18.05838     13.53770         0.002142     -0.060925     -0.072121
      6.00232      2.34816      7.63827        -0.000586     -0.178786     -0.036096
      5.02721      0.27509      7.89906         0.099650     -0.113073     -0.020371
      3.78157      1.43182     11.81181        -0.021406      0.100559     -0.067316
      7.08990      6.55043      6.27460         0.004673      0.051238      0.143140
      5.98016      5.68420     10.96827        -0.077724      0.094731     -0.166650
      6.24390      7.96834     10.22435         0.065817     -0.067919      0.274708
      2.02455     16.24743      3.39128         0.111036     -0.040824      0.013488
     -0.36051     14.54476     20.57213         0.023269      0.126611      0.123907
     -0.07729     16.95007     20.90243        -0.115588     -0.059777      0.223428
      1.76143     18.62002      3.72418         0.055735     -0.012457      0.080138
      0.06129     18.65868     20.98243         0.005934     -0.026524      0.056729
     -0.20817     -0.19005     21.07791         0.077396     -0.128520      0.067535
      2.83744      4.16360      6.75614         0.135706     -0.090094      0.028553
      2.49387      2.09694      5.69040         0.168757      0.058739     -0.038600
      0.11445      4.08039      2.71392        -0.000614     -0.027785      0.162014
      3.15329      7.79232      9.41256        -0.020603      0.051132     -0.186492
      1.72567      8.14828      4.76346        -0.015347     -0.011910     -0.126522
      2.52003     10.11308      5.88634        -0.105866     -0.017118     -0.125489
      3.58209     17.11730     20.45268        -0.141873      0.223147     -0.082507
      5.57560     13.91454      2.46851        -0.046485      0.211446     -0.057558
      5.58515     16.29722      2.96148         0.007884      0.050664     -0.160064
      3.70452     19.49513     -0.16085        -0.067432     -0.079670     -0.159773
      5.46103     18.01295      3.50709        -0.002029     -0.061462      0.071899
      5.75905     20.27851      4.32828        -0.027514     -0.040208     -0.020418
      2.45336      5.74774     -0.24807        -0.232480     -0.029000      0.030952
      2.75276      3.40521     -0.05111         0.080443     -0.012077     -0.147287
      5.29201      4.10321      3.34226        -0.027499     -0.208157      0.101402
      0.36328     10.04498      0.93712        -0.088762      0.009263      0.042489
      4.80713      8.59533      2.29879         0.020535      0.141059      0.046666
      4.15875     10.87085      2.75988        -0.110709     -0.071032     -0.074732
     19.90502     19.47420     15.80149        -0.055807     -0.013399     -0.093810
     16.61647     17.87369     12.37823        -0.013044     -0.013110     -0.027046
     17.14054     20.26094     12.54356        -0.105180     -0.039510      0.066839
     20.10723      0.34044     16.05024        -0.042202     -0.003422     -0.096215
     17.14564      0.86607     12.91982        -0.068761      0.000355     -0.097528
     17.22151      3.28464     13.21529         0.024856      0.050459     -0.010053
      2.27083      6.79911     17.87414         0.001621      0.070257     -0.038397
      1.14587      4.80710     17.24327         0.240834     -0.098563     -0.026057
     18.77675      6.97919     16.87298        -0.241542     -0.016134     -0.043003
      4.42646     10.46827     19.78314         0.281381      0.001363      0.156576
     -0.11020     10.75611     18.08206         0.022901      0.143095      0.034621
      0.88692     12.71016     19.04638        -0.046860     -0.013859     -0.075441
      0.54959      0.04107     12.86346         0.095172     -0.204002      0.211087
      3.00953     18.10282     15.86362        -0.005172     -0.150802      0.065875
      3.09121     20.53106     16.31643        -0.016513     -0.180274     -0.190583
      0.85976      2.04442     13.18243         0.120791      0.056157      0.144490
      2.88671      1.06552     16.88744         0.129263     -0.028180      0.040213
      3.52030      3.39524     17.20800         0.087752      0.039723     -0.087827
     19.84957      9.03626     13.87363        -0.049107     -0.061502      0.070235
     20.65172      6.87075     13.61190        -0.134292     -0.049852     -0.030654
      3.28700      8.20176     14.78253        -0.166353      0.155041     -0.115533
     17.88060     13.08989     14.16590         0.213490      0.099127      0.061600
      1.30199     12.48932     15.43629        -0.023748      0.024952     -0.156904
      0.37568     14.67693     15.45445         0.265710      0.041559      0.265466
     17.27126      2.33099      7.97918        -0.032735     -0.009963     -0.042084
     15.45260      1.08213      3.47466         0.010670      0.061340      0.033960
     15.31033      3.39602      4.24573         0.019030     -0.077738      0.088404
     17.02529      4.65794      8.56494        -0.040830      0.005866     -0.127676
     15.22416      5.04770      4.62476         0.126857      0.096881     -0.044165
     15.43015      7.46631      4.73094        -0.010561      0.012582      0.009669
     19.99561     10.94919     11.20485         0.049869     -0.023974     -0.009079
     18.96907      9.01581     10.23844         0.072345      0.027267      0.200121
     16.36663     11.55237      8.01208         0.064374     -0.005900     -0.031344
      1.42696     14.59239     12.32265        -0.163383      0.146704     -0.100611
     18.14231     15.04237     10.64980        -0.090073      0.018630      0.068190
     19.24940     16.96717     11.52151        -0.208975      0.214678     -0.168309
     19.05114      4.60376      5.36674         0.003492     -0.013635     -0.034609
     -0.03927      1.01167      8.11593        -0.105547      0.044486     -0.010746
     -0.26842      3.29229      9.03856        -0.157499     -0.009011     -0.105519
     18.99354      6.36562      5.98596         0.064488      0.068267      0.110383
     -0.49019      5.21863      9.75662        -0.051773      0.099038      0.032156
     -0.04583      7.58798     10.27196         0.163544     -0.014769     -0.030039
     18.30871     13.65746      4.84079        -0.154484     -0.066517     -0.000064
     18.64993     11.31949      5.27461        -0.186444     -0.020903     -0.116847
      0.68828     12.30384      7.83937        -0.111568      0.002707     -0.187989
     17.61550     18.02008      3.93785         0.073669      0.056033      0.005906
     20.01546     16.40993      7.89170         0.021497      0.055753     -0.070984
     19.17629     18.68206      7.88196        -0.007658     -0.131894      0.092431
     13.96299     19.15025     10.71005        -0.004085     -0.066268     -0.017683
     19.52770      0.02845      3.45614        -0.084605     -0.160734     -0.227049
     12.96583      1.23550      2.66509        -0.053034      0.171020      0.000299
     13.64536     11.40257      4.67698        -0.082939     -0.097829      0.037993
      9.62477      2.56969      2.69559        -0.009472      0.194449      0.127872
     10.37201     12.83547      5.14939         0.128526     -0.046358      0.012459
     10.38584      5.13451     16.17838         0.068482     -0.223289     -0.282603
     10.90334     15.53023     17.89215         0.021912      0.008625      0.053195
      7.14234      6.39943     15.32273         0.024783      0.019374     -0.040178
      7.20188     16.68642     18.00339         0.039509     -0.021934      0.002077
      6.77172      8.88293      7.69455         0.018281     -0.091607      0.001058
      7.60957     19.36055      9.26015         0.034886      0.090003      0.019261
      3.44449     10.26017      8.54367        -0.021400     -0.043574     -0.137479
      4.06318     20.51995     10.31297         0.054611     -0.103590      0.162241
      1.72207     12.09594      1.92271        -0.061143      0.076039      0.154194
      1.23204      1.61549      3.34483         0.030390     -0.186405     -0.057770
      3.41697     12.88774     20.21237        -0.180375      0.030766     -0.172600
      4.31606      2.04682      1.74462         0.016991      0.189969      0.048170
     19.11241     15.42471     14.78414         0.145147      0.075225      0.001194
     19.91806      4.56110     16.26359        -0.080154     -0.125355     -0.094394
      0.51330     17.06823     12.59568        -0.258767      0.128638     -0.012699
      1.87644      5.98626     14.27969        -0.100029     -0.010546      0.011279
     17.61693     19.81275      5.96385        -0.096757     -0.103701     -0.014709
     17.08237      8.91057      8.34042        -0.060572     -0.008172     -0.078640
     19.61974      0.66201      4.23924         0.005711      0.096924      0.177322
     20.33370     10.21427      7.02728        -0.063544      0.178944     -0.109396
     12.54231      2.37393      4.69793         0.127850      0.013250      0.003743
     13.72015      0.96633      0.43334        -0.078543      0.183093      0.168779
     13.26045      9.59099      6.15670         0.038627      0.059731     -0.421468
     14.04292     12.52508      2.62365        -0.133416     -0.239044      0.048002
      9.46303      4.39351      1.21237        -0.061755      0.215316     -0.383999
      9.67774      1.40554      4.74842         0.033992      0.290642     -0.130989
     10.17324     11.86823      3.00294        -0.012312     -0.051166      0.027989
     10.24815     12.97978      7.50997        -0.008933     -0.240268     -0.351374
     10.39464      6.20852     18.28919         0.089316      0.017549     -0.948487
     10.77895      4.86525     13.85200        -0.004747      0.363492      0.359401
     10.84013     13.83029     19.52765        -0.014665      0.041321     -0.269295
     11.01974     16.56157     15.77849        -0.051155     -0.308572      0.107381
      6.96575      8.19208     13.81873        -0.055747      0.149720     -0.092050
      7.22198      5.25285     17.39449        -0.121701      0.390607     -0.266638
      6.90343     15.82206     15.83494         0.068380     -0.131859      0.146985
      7.10602     16.74449     20.36028        -0.067286     -0.143065     -0.204687
      7.02710     10.03802      9.74320        -0.005143     -0.020845      0.052162
      6.99570      8.57643      5.35072        -0.155230      0.215405      0.309769
      7.67942     17.66360     10.90622         0.038071     -0.006267     -0.302717
      7.23678     20.39277      7.16616         0.163316     -0.275520      0.229536
      3.38156     11.97699      6.92755         0.088364     -0.131861      0.244049
      3.86716      9.22408     10.64708        -0.016703      0.065861     -0.029911
      3.59167     19.48165      8.25265        -0.080537     -0.000405     -0.699361
      4.28653     20.72905     12.66028        -0.042622     -0.249671     -0.263381
      2.84862     13.10205      3.74966        -0.165000      0.148108     -0.369077
     -0.06397     11.94234      0.35596         0.028941     -0.003811     -0.204931
      2.40036      0.15398      4.81986        -0.122806     -0.075331     -0.139165
      0.11608      2.29060      1.36775         0.164055     -0.206774      0.118894
      2.73114     14.70631     18.87101         0.016266     -0.114138      0.303491
      4.81931     11.74211      0.47187        -0.020209      0.088070     -0.008470
      3.18154      1.27812     -0.18548         0.035115     -0.169696     -0.107306
      5.72110      1.94996      3.65203        -0.383814     -0.350616     -0.384484
     -0.64024     16.59408     16.18415        -0.236773      0.001335     -0.140520
     17.17457     15.08785     13.47200         0.052928     -0.003270     -0.058251
     -0.12413      2.81588     17.31065        -0.058984      0.053440      0.090595
     18.41901      5.61661     14.76824         0.181450     -0.296567      0.168563
     20.83697     18.86895     11.39229         0.283948     -0.175408      0.447905
      1.90956     15.92031     14.10743         0.062800     -0.045013      0.094900
      0.36531      4.95750     12.80351        -1.099331      0.108074     -1.181150
      3.58227      6.19119     15.91322        -0.521842     -0.522535     -0.525708
     18.27678     20.69086      8.07123        -0.165616      0.014982     -0.149186
     16.32456     19.65104      3.97515         0.181199      0.171461      0.167591
     17.65320      7.25560      9.93982        -0.262848      0.008911     -0.370625
     16.31210      9.84303      6.30796        -0.100676     -0.053133      0.152861
     18.69080      2.56525      3.24419         0.095574     -0.140468      0.286000
     20.72274     20.45477      5.68800        -0.007660      0.120596     -0.022823
     18.95784      9.23811      5.37198        -0.744601      0.191980     -1.293764
      0.43138     10.30431      8.93583         1.257446      1.022134      1.170336
     14.08226     17.27279      5.64186         0.088589      0.026769      0.015457
     16.05935     16.29194      5.70035        -0.107727     -0.075512     -0.036432
     14.72847     16.00060      4.00936        -0.020706     -0.028070      0.180983
     11.68809     15.23855     11.45611        -0.058368      0.176764     -0.001041
     11.44444     14.33659      9.49180        -0.004920     -0.029826      0.035528
     13.15833     13.79798     10.78379         0.015312      0.005976     -0.029927
     11.93659     18.06740      7.08888        -0.100967      0.006556      0.038870
      9.88857     18.54101      6.39077         0.124354     -0.073034     -0.006291
     10.25771     16.87444      7.73284        -0.117321     -0.191871      0.130749
     13.71919     18.53043      0.25621        -0.028417     -0.062108      0.077875
     14.24297     17.00863      1.71387        -0.255275      0.003824      0.029875
     12.26704     17.00274      0.73790         0.020649      0.066550     -0.040987
     11.46385      0.07978     18.25799         0.116546     -0.015379      0.025177
     13.11044     -0.67862     19.53357        -0.144707      0.161793     -0.016142
     12.85263     19.87255     17.48625        -0.004266     -0.043014      0.198781
      8.12478     19.32747      3.12967         0.148723      0.028973     -0.123685
      7.68064     18.54539      1.14603         0.157488      0.222477      0.183481
      9.58607     18.06405      2.16059        -0.021991     -0.117420      0.004562
      7.56034      0.86489     20.04793        -0.048607     -0.041924      0.190851
      5.98988      1.14829     18.52529         0.106789      0.038766      0.045081
      5.82576     20.84599     20.01685        -0.144887     -0.199816     -0.050428
     10.82972      1.28253     13.57578         0.231450     -0.211330      0.103626
     11.47221     -0.22728     15.03643         0.033246     -0.211926     -0.079099
      9.48374     20.94677     14.07296         0.017306     -0.231867     -0.101354
      9.04443      3.72279      9.54515        -0.006501     -0.123536      0.086796
     10.42786      2.97424     11.09356        -0.173493      0.001456     -0.024852
     10.38369      2.06812      9.11435         0.003025     -0.121686     -0.036256
      6.06751      1.99213     16.18502        -0.010552     -0.014514     -0.331189
      5.15031      1.20944     14.37998         0.204443      0.152952     -0.083157
      7.11592      0.51545     15.01423         0.041331      0.051836     -0.253343
      4.31783      5.12141     11.92162         0.109129     -0.049377     -0.116661
      2.70434      3.67979     11.61295        -0.021196      0.208459     -0.079163
      4.34446      3.24803     12.98863         0.088249      0.023514      0.203644
      7.37950      4.62848      5.49005        -0.073625      0.227680     -0.199753
      7.65352      3.03115      6.92042        -0.209993      0.238476     -0.067526
      5.63187      3.51964      6.10717         0.091863     -0.099788      0.048787
     -0.57270      7.25159      4.71985         0.113207     -0.174667     -0.032774
      0.69637      7.17412      3.00452         0.244557      0.226265     -0.067131
     -1.13207      5.94938      3.08221         0.070910     -0.124682      0.012319
      2.88088      5.86046      9.91307        -0.247189      0.095339      0.131048
      1.59478      4.60920      8.70354         0.205603      0.090693     -0.225804
      3.72312      4.81843      8.21719        -0.174529      0.074139      0.001019
      6.18128      6.79884      3.49584        -0.000889     -0.105368     -0.096157
      4.29847      7.62895      4.24647        -0.094601     -0.097505      0.012207
      4.89181      5.64878      4.87069         0.052503      0.289463     -0.135785
     -0.34825      8.41156     21.11669        -0.277510      0.135046     -0.149477
      1.26884      7.15205     -0.88922        -0.086594      0.128207      0.154096
      0.05646      6.51026      0.78926         0.292326     -0.029233     -0.126790
     19.48125      9.63095     19.26950         0.023433      0.092040      0.133177
     19.49550     10.24806     17.15986        -0.048536     -0.046642      0.098387
     18.10165      8.71951     17.85734         0.175701      0.057039      0.048933
      4.82602      8.51283     20.01613        -0.146384     -0.267201     -0.305219
      3.59936      6.92815     19.22133        -0.001284      0.374331     -0.032649
      4.59902      8.29411     17.82663        -0.371229      0.019610      0.308723
      3.06681     11.74645     14.17856        -0.034408     -0.042831      0.099540
      2.65973     11.27931     16.28569         0.253860     -0.011908      0.022664
      4.11899     10.11845     15.14897        -0.030041     -0.016913      0.033349
     17.17259     11.26697     13.66136         0.012631      0.038928      0.017790
     18.63250      9.94777     12.77334        -0.164286      0.046022      0.115476
     18.10936      9.75528     14.90303         0.083505      0.024858     -0.072002
     16.28219     14.26289      9.78009         0.111267      0.045359     -0.054393
     17.99151     14.86005      8.50849         0.034531     -0.050700      0.080833
     16.41473     13.66195      7.67461         0.015023     -0.101759     -0.089337
      1.90464     12.70685     12.17454        -0.022639     -0.088881     -0.253764
      0.48850     11.18480     11.67925         0.093894      0.032472     -0.083251
      1.42053     12.36830     10.06832        -0.112019      0.072132      0.177425
      1.15409     15.85944      6.56127        -0.117122     -0.036617      0.024606
      0.40159     15.50042      8.60443         0.053819     -0.072422     -0.038568
      1.93281     14.21761      7.76620        -0.115199     -0.049955     -0.170024
     18.18326     16.51777      2.41121         0.158722      0.102336      0.031020
     19.56551     14.93192      3.00583        -0.105623      0.062012      0.156786
     17.41444     14.80599      3.50295         0.239050      0.210325     -0.001885
 -----------------------------------------------------------------------------------
    total drift:                                0.007929      0.000788     -0.009193


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4579.2391587762 eV

  energy  without entropy=    -4579.3905705313  energy(sigma->0) =    -4579.28962936
 
 d Force = 0.3766611E-01[-0.155E-02, 0.769E-01]  d Energy = 0.3751206E-01 0.154E-03
 d Force = 0.2697690E+03[ 0.270E+03, 0.270E+03]  d Ewald  = 0.2697695E+03-0.470E-03


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   88(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3152
 total energy-change (2. order) : 0.9332927E+00  (-0.6681949E+02)
 number of electron    2497.9999955 magnetization 
 augmentation part      162.7419084 magnetization 

  free energy =  -0.457830585805E+04  energy without entropy=  -0.457845962104E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   88(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3512
 total energy-change (2. order) :-0.1455622E+01  (-0.1735191E+01)
 number of electron    2497.9999954 magnetization 
 augmentation part      162.8077077 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8530
  0.8530

  free energy =  -0.457976148051E+04  energy without entropy=  -0.457991375404E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   88(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3744
 total energy-change (2. order) : 0.4716433E-01  (-0.3417945E-01)
 number of electron    2497.9999954 magnetization 
 augmentation part      162.7475511 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4046
  1.0618  1.7474

  free energy =  -0.457971431618E+04  energy without entropy=  -0.457986785569E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   88(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) :-0.6646077E-02  (-0.2783772E-01)
 number of electron    2497.9999954 magnetization 
 augmentation part      162.7082236 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2915
  2.1871  0.8437  0.8437

  free energy =  -0.457972096226E+04  energy without entropy=  -0.457987406207E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   88(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3688
 total energy-change (2. order) :-0.7894982E-03  (-0.5347198E-02)
 number of electron    2497.9999954 magnetization 
 augmentation part      162.7170296 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3255
  2.3977  1.0047  1.0047  0.8948

  free energy =  -0.457972175176E+04  energy without entropy=  -0.457987590035E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   88(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) : 0.1519552E-02  (-0.2565659E-02)
 number of electron    2497.9999954 magnetization 
 augmentation part      162.7178490 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2377
  2.4019  1.0541  1.0541  0.8392  0.8392

  free energy =  -0.457972023220E+04  energy without entropy=  -0.457987366762E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   88(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) : 0.3528580E-04  (-0.4805117E-03)
 number of electron    2497.9999954 magnetization 
 augmentation part      162.7204208 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2337
  2.3930  0.9923  0.9923  1.1894  1.1894  0.6455

  free energy =  -0.457972019692E+04  energy without entropy=  -0.457987430172E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   88(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) : 0.1109993E-03  (-0.8273725E-04)
 number of electron    2497.9999954 magnetization 
 augmentation part      162.7244674 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2188
  2.4571  1.0661  1.0661  1.2542  1.2542  0.8194  0.6145

  free energy =  -0.457972008592E+04  energy without entropy=  -0.457987397012E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   88(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3648
 total energy-change (2. order) :-0.2549539E-04  (-0.4102976E-04)
 number of electron    2497.9999954 magnetization 
 augmentation part      162.7230847 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2159
  2.5078  1.6016  1.0189  1.0189  1.1165  0.9285  0.9285  0.6068

  free energy =  -0.457972011141E+04  energy without entropy=  -0.457987402915E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   88(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3416
 total energy-change (2. order) :-0.7584633E-05  (-0.7371241E-05)
 number of electron    2497.9999954 magnetization 
 augmentation part      162.7230847 magnetization 

  free energy =  -0.457972011900E+04  energy without entropy=  -0.457987405928E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -56.0047       2 -56.1006       3 -55.9875       4 -55.8089       5 -55.8226
       6 -56.2626       7 -58.0895       8 -58.2384       9 -56.2405      10 -55.9131
      11 -55.9983      12 -55.8048      13 -55.7661      14 -55.9228      15 -58.0490
      16 -58.1505      17 -56.3353      18 -55.0029      19 -54.9000      20 -55.0506
      21 -55.6384      22 -55.5711      23 -55.5720      24 -55.5842      25 -54.9976
      26 -54.7920      27 -54.9245      28 -54.9224      29 -60.3931      30 -60.3547
      31 -55.7257      32 -55.8365      33 -55.7307      34 -55.4834      35 -55.5517
      36 -56.0293      37 -57.8408      38 -57.9796      39 -56.1414      40 -55.8750
      41 -55.9932      42 -55.7239      43 -55.7666      44 -55.9434      45 -58.0660
      46 -58.2119      47 -56.4691      48 -55.1361      49 -54.9555      50 -55.3090
      51 -55.9039      52 -55.8286      53 -55.7387      54 -55.7287      55 -55.0455
      56 -54.8461      57 -54.9431      58 -56.3442      59 -60.3218      60 -60.6278
      61 -55.9421      62 -56.0531      63 -55.9111      64 -55.7590      65 -55.7352
      66 -56.1799      67 -57.9814      68 -58.1673      69 -56.1839      70 -55.8844
      71 -55.9679      72 -55.7137      73 -55.6774      74 -55.8892      75 -58.0010
      76 -58.0910      77 -56.2812      78 -55.0535      79 -54.8855      80 -55.1957
      81 -55.7707      82 -55.7738      83 -55.8607      84 -55.8757      85 -55.2801
      86 -55.0200      87 -55.1833      88 -56.3691      89 -60.6314      90 -60.3537
      91 -55.7851      92 -55.9007      93 -55.8010      94 -55.5720      95 -55.6317
      96 -56.1236      97 -57.9352      98 -58.0344      99 -56.2303     100 -55.9403
     101 -56.0765     102 -55.7398     103 -55.8012     104 -56.0154     105 -58.0924
     106 -58.1970     107 -56.4055     108 -55.1461     109 -54.9567     110 -55.3779
     111 -55.8752     112 -55.8183     113 -55.6891     114 -55.6478     115 -54.9999
     116 -54.7672     117 -54.9197     118 -56.2416     119 -60.3524     120 -60.5861
     121 -55.9671     122 -55.9945     123 -55.8808     124 -55.7793     125 -55.7937
     126 -56.2024     127 -58.1273     128 -58.1899     129 -56.1738     130 -55.8131
     131 -55.9135     132 -55.7347     133 -55.6681     134 -55.8294     135 -57.9380
     136 -58.0511     137 -56.3153     138 -55.0449     139 -54.9197     140 -55.3127
     141 -55.8286     142 -55.7530     143 -55.8179     144 -55.8144     145 -55.1777
     146 -55.0709     147 -55.2223     148 -56.3541     149 -60.4524     150 -60.5061
     151 -55.6450     152 -55.7593     153 -55.6080     154 -55.4377     155 -55.4730
     156 -55.9221     157 -57.8861     158 -57.9516     159 -56.0105     160 -55.7671
     161 -55.9389     162 -55.5528     163 -55.5734     164 -55.8009     165 -57.9444
     166 -58.0847     167 -56.3689     168 -55.0433     169 -54.8548     170 -55.1950
     171 -55.8412     172 -55.8622     173 -55.8806     174 -55.8142     175 -55.2693
     176 -55.0807     177 -55.1415     178 -56.5076     179 -60.4857     180 -60.5790
     181 -55.7940     182 -56.0445     183 -55.9030     184 -55.5712     185 -55.6050
     186 -56.1577     187 -57.9171     188 -58.2049     189 -56.2053     190 -55.8436
     191 -56.0103     192 -55.7019     193 -55.6831     194 -55.8895     195 -57.9809
     196 -58.1724     197 -56.5015     198 -55.0618     199 -54.9770     200 -55.3122
     201 -55.8314     202 -55.8381     203 -55.8776     204 -55.8197     205 -55.0959
     206 -55.2029     207 -55.1759     208 -56.4437     209 -60.6283     210 -60.4867
     211 -55.9901     212 -56.0356     213 -55.9070     214 -55.8243     215 -55.7853
     216 -56.2672     217 -58.1391     218 -58.1558     219 -56.1521     220 -55.8199
     221 -55.9352     222 -55.5871     223 -55.5266     224 -55.8006     225 -57.9639
     226 -58.1432     227 -56.4395     228 -54.9960     229 -54.9248     230 -55.1944
     231 -55.7520     232 -55.7457     233 -55.6997     234 -55.7092     235 -55.0322
     236 -55.0948     237 -55.1823     238 -56.4291     239 -60.3243     240 -60.4187
     241 -55.9789     242 -56.0368     243 -55.9380     244 -55.7703     245 -55.7762
     246 -56.2247     247 -58.0730     248 -58.1816     249 -56.2084     250 -55.8800
     251 -55.9834     252 -55.7555     253 -55.7561     254 -55.9316     255 -58.0004
     256 -58.1085     257 -56.3351     258 -55.0711     259 -54.9135     260 -55.2379
     261 -55.7792     262 -55.7443     263 -55.8193     264 -55.8796     265 -55.2125
     266 -54.9845     267 -55.1870     268 -56.3733     269 -60.5672     270 -60.4116
     271 -55.8596     272 -55.9286     273 -55.7970     274 -55.6721     275 -55.6246
     276 -56.0188     277 -58.0274     278 -58.0962     279 -55.9158     280 -55.6709
     281 -55.7723     282 -55.5017     283 -55.5149     284 -55.7589     285 -57.9786
     286 -57.9943     287 -56.3313     288 -55.0293     289 -54.8982     290 -55.2397
     291 -55.8435     292 -55.8044     293 -55.8593     294 -55.8576     295 -55.2089
     296 -55.0077     297 -55.0475     298 -56.4072     299 -60.5152     300 -60.5537
     301 -55.8656     302 -56.0233     303 -55.9363     304 -55.6490     305 -55.6890
     306 -56.2039     307 -58.0254     308 -58.2345     309 -56.2387     310 -55.9304
     311 -56.0137     312 -55.7107     313 -55.6997     314 -55.8834     315 -57.9676
     316 -58.1444     317 -56.3901     318 -55.0347     319 -54.8924     320 -55.2745
     321 -55.7845     322 -55.7412     323 -55.8514     324 -55.8532     325 -55.1768
     326 -55.0882     327 -55.2084     328 -56.3871     329 -60.5267     330 -60.4576
     331 -55.6940     332 -55.7138     333 -55.6059     334 -55.5451     335 -55.5189
     336 -55.9392     337 -57.8995     338 -57.8960     339 -55.8498     340 -55.5894
     341 -55.7030     342 -55.4367     343 -55.4529     344 -55.6968     345 -57.8891
     346 -57.9200     347 -56.4241     348 -54.9873     349 -54.9804     350 -55.2804
     351 -55.7676     352 -55.7071     353 -55.6978     354 -55.7214     355 -55.1593
     356 -54.9846     357 -55.0235     358 -56.4065     359 -60.4585     360 -60.5001
     361 -39.0318     362 -38.7683     363 -38.9137     364 -39.0114     365 -38.9207
     366 -38.7307     367 -38.1712     368 -38.1275     369 -37.9892     370 -38.1258
     371 -38.1336     372 -38.1983     373 -38.6916     374 -38.4000     375 -38.7119
     376 -38.8532     377 -38.8335     378 -38.7540     379 -38.1828     380 -38.1967
     381 -38.2454     382 -37.9727     383 -38.2204     384 -37.9869     385 -38.9264
     386 -38.7730     387 -38.8887     388 -38.9189     389 -38.8750     390 -38.6483
     391 -38.2219     392 -38.3257     393 -38.1936     394 -38.2316     395 -38.1788
     396 -38.3049     397 -38.7614     398 -38.4790     399 -38.8258     400 -38.9049
     401 -38.8280     402 -38.7780     403 -38.2051     404 -38.1802     405 -38.4311
     406 -38.0290     407 -38.1056     408 -37.8669     409 -38.7878     410 -38.7905
     411 -38.9524     412 -38.7630     413 -38.9336     414 -38.7087     415 -38.2797
     416 -38.2716     417 -38.3113     418 -38.1897     419 -38.2377     420 -38.2966
     421 -38.6343     422 -38.3674     423 -38.6014     424 -38.7342     425 -38.5968
     426 -38.5522     427 -38.2453     428 -38.0711     429 -38.2447     430 -38.2130
     431 -38.1360     432 -38.0420     433 -38.7634     434 -38.5947     435 -38.8351
     436 -38.7364     437 -38.9190     438 -38.6696     439 -38.2664     440 -38.0775
     441 -38.1415     442 -38.0822     443 -38.2006     444 -38.0955     445 -38.8915
     446 -38.8474     447 -38.9284     448 -38.7684     449 -38.8082     450 -38.4212
     451 -38.0236     452 -37.9834     453 -38.1452     454 -38.0103     455 -38.1808
     456 -38.1882     457 -38.9121     458 -38.7165     459 -38.9011     460 -38.8752
     461 -38.9112     462 -38.7194     463 -38.1537     464 -38.2873     465 -38.2669
     466 -38.3798     467 -38.1916     468 -38.3662     469 -38.8251     470 -38.6852
     471 -38.7289     472 -38.7446     473 -38.6142     474 -38.5003     475 -38.3219
     476 -38.1457     477 -38.1740     478 -38.1354     479 -38.1798     480 -38.0399
     481 -38.8797     482 -38.7270     483 -38.9256     484 -38.8579     485 -38.9466
     486 -38.7559     487 -38.1178     488 -38.1937     489 -38.2691     490 -38.2515
     491 -38.2239     492 -38.4354     493 -38.7920     494 -38.4714     495 -38.5508
     496 -38.7430     497 -38.4512     498 -38.4485     499 -38.1742     500 -38.0224
     501 -38.2180     502 -38.1139     503 -38.0869     504 -38.0107     505 -38.1854
     506 -41.0341     507 -71.6777     508 -71.6015     509 -71.3403     510 -71.6285
     511 -71.5949     512 -71.4870     513 -71.4549     514 -71.5570     515 -71.6188
     516 -71.4067     517 -71.4314     518 -71.5166     519 -71.4724     520 -71.5123
     521 -71.5644     522 -71.4984     523 -71.6090     524 -71.4994     525 -71.5492
     526 -71.4574     527 -71.6238     528 -71.4849     529 -71.1431     530 -71.4736
     531 -76.9128     532 -76.7324     533 -76.8683     534 -76.7228     535 -76.6334
     536 -76.5393     537 -76.9042     538 -76.6863     539 -76.7552     540 -76.5919
     541 -76.7909     542 -76.6673     543 -76.6634     544 -76.6445     545 -76.8546
     546 -76.6911     547 -76.8564     548 -76.8213     549 -76.7575     550 -76.6404
     551 -76.6087     552 -76.5748     553 -76.6776     554 -76.6183     555 -76.8354
     556 -76.6627     557 -76.8579     558 -76.6685     559 -76.7864     560 -76.8257
     561 -76.8047     562 -76.6559     563 -76.8584     564 -76.6986     565 -76.8017
     566 -76.6211     567 -76.7843     568 -76.6907     569 -76.6814     570 -76.6694
     571 -76.8901     572 -76.7247     573 -76.8554     574 -76.6636     575 -76.5683
     576 -76.5541     577 -76.6092     578 -76.5291     579 -82.3253     580 -82.2145
     581 -82.2229     582 -82.3862     583 -82.3007     584 -82.2625     585 -82.4297
     586 -82.4870     587 -82.6172     588 -82.1874     589 -82.0743     590 -82.2344
     591 -82.3191     592 -82.1981     593 -82.1958     594 -82.6261     595 -82.4122
     596 -82.5807     597 -82.4195     598 -82.4641     599 -82.6122     600 -82.1666
     601 -82.2303     602 -82.2912     603 -82.3738     604 -82.3287     605 -82.4719
     606 -82.2749     607 -82.2342     608 -82.3623     609 -82.6878     610 -82.2571
     611 -82.3922     612 -82.5056     613 -82.2526     614 -82.3012     615 -82.4759
     616 -82.5099     617 -82.4023     618 -82.5985     619 -82.5745     620 -82.6104
     621 -82.1859     622 -82.4236     623 -82.2604     624 -82.2901     625 -82.2402
     626 -82.1380     627 -82.3104     628 -82.2682     629 -82.2713     630 -82.3379
     631 -82.5086     632 -82.2807     633 -82.4318     634 -82.4112     635 -82.5421
     636 -82.3943     637 -82.3979     638 -82.2754     639 -82.2648     640 -82.4378
     641 -82.4331     642 -82.3639     643 -82.5117     644 -82.3231     645 -82.4027
     646 -82.3290     647 -82.4552     648 -82.3727     649 -82.3774     650 -82.2178
 
 
 
 E-fermi :  -1.4828     XC(G=0):  -6.5400     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.0145      2.00000
      2     -28.9314      2.00000
      3     -28.8516      2.00000
      4     -28.8462      2.00000
      5     -28.8119      2.00000
      6     -28.8118      2.00000
      7     -28.7946      2.00000
      8     -28.7614      2.00000
      9     -28.7255      2.00000
     10     -28.7020      2.00000
     11     -28.6955      2.00000
     12     -28.6785      2.00000
     13     -28.6677      2.00000
     14     -28.6664      2.00000
     15     -28.6389      2.00000
     16     -28.6090      2.00000
     17     -28.6085      2.00000
     18     -28.6061      2.00000
     19     -28.5970      2.00000
     20     -28.5829      2.00000
     21     -28.5758      2.00000
     22     -28.5263      2.00000
     23     -28.4889      2.00000
     24     -28.4758      2.00000
     25     -26.7042      2.00000
     26     -26.6447      2.00000
     27     -26.6269      2.00000
     28     -26.6211      2.00000
     29     -26.5980      2.00000
     30     -26.5843      2.00000
     31     -26.5588      2.00000
     32     -26.5217      2.00000
     33     -26.5097      2.00000
     34     -26.5017      2.00000
     35     -26.4852      2.00000
     36     -26.4836      2.00000
     37     -26.4744      2.00000
     38     -26.4716      2.00000
     39     -26.4705      2.00000
     40     -26.4578      2.00000
     41     -26.4572      2.00000
     42     -26.4322      2.00000
     43     -26.4256      2.00000
     44     -26.4077      2.00000
     45     -26.3998      2.00000
     46     -26.3992      2.00000
     47     -26.3969      2.00000
     48     -26.3843      2.00000
     49     -26.3782      2.00000
     50     -26.3778      2.00000
     51     -26.3703      2.00000
     52     -26.3534      2.00000
     53     -26.3484      2.00000
     54     -26.3482      2.00000
     55     -26.3371      2.00000
     56     -26.3352      2.00000
     57     -26.3321      2.00000
     58     -26.3182      2.00000
     59     -26.3062      2.00000
     60     -26.2968      2.00000
     61     -26.2966      2.00000
     62     -26.2702      2.00000
     63     -26.2678      2.00000
     64     -26.2611      2.00000
     65     -26.2474      2.00000
     66     -26.2461      2.00000
     67     -26.2281      2.00000
     68     -26.2127      2.00000
     69     -26.1894      2.00000
     70     -26.1790      2.00000
     71     -26.1630      2.00000
     72     -26.1337      2.00000
     73     -23.2558      2.00000
     74     -23.2270      2.00000
     75     -23.2078      2.00000
     76     -23.1990      2.00000
     77     -23.1864      2.00000
     78     -23.1818      2.00000
     79     -23.1721      2.00000
     80     -23.1627      2.00000
     81     -23.1555      2.00000
     82     -23.1525      2.00000
     83     -23.1483      2.00000
     84     -23.1144      2.00000
     85     -23.1117      2.00000
     86     -23.0999      2.00000
     87     -23.0877      2.00000
     88     -23.0842      2.00000
     89     -23.0543      2.00000
     90     -23.0491      2.00000
     91     -23.0230      2.00000
     92     -23.0120      2.00000
     93     -22.9827      2.00000
     94     -22.9671      2.00000
     95     -22.9600      2.00000
     96     -22.9529      2.00000
     97     -22.8139      2.00000
     98     -22.7648      2.00000
     99     -22.7574      2.00000
    100     -22.7563      2.00000
    101     -22.7508      2.00000
    102     -22.7291      2.00000
    103     -22.7236      2.00000
    104     -22.7136      2.00000
    105     -22.7035      2.00000
    106     -22.6952      2.00000
    107     -22.6873      2.00000
    108     -22.6800      2.00000
    109     -22.6792      2.00000
    110     -22.6732      2.00000
    111     -22.6336      2.00000
    112     -22.6087      2.00000
    113     -22.5954      2.00000
    114     -22.5899      2.00000
    115     -22.5761      2.00000
    116     -22.5595      2.00000
    117     -22.5421      2.00000
    118     -22.5295      2.00000
    119     -22.5036      2.00000
    120     -22.4782      2.00000
    121     -20.4785      2.00000
    122     -20.4415      2.00000
    123     -20.4208      2.00000
    124     -20.4001      2.00000
    125     -20.4001      2.00000
    126     -20.3934      2.00000
    127     -20.3715      2.00000
    128     -20.3678      2.00000
    129     -20.3510      2.00000
    130     -20.3421      2.00000
    131     -20.3262      2.00000
    132     -20.3213      2.00000
    133     -20.3209      2.00000
    134     -20.3191      2.00000
    135     -20.2840      2.00000
    136     -20.2708      2.00000
    137     -20.2669      2.00000
    138     -20.2563      2.00000
    139     -20.2510      2.00000
    140     -20.1751      2.00000
    141     -20.1460      2.00000
    142     -20.1428      2.00000
    143     -20.1368      2.00000
    144     -20.0782      2.00000
    145     -18.6762      2.00000
    146     -18.5865      2.00000
    147     -18.5763      2.00000
    148     -18.5632      2.00000
    149     -18.5158      2.00000
    150     -18.5135      2.00000
    151     -18.5102      2.00000
    152     -18.4927      2.00000
    153     -18.4888      2.00000
    154     -18.4346      2.00000
    155     -18.4245      2.00000
    156     -18.4065      2.00000
    157     -18.3637      2.00000
    158     -18.2930      2.00000
    159     -18.2822      2.00000
    160     -18.2801      2.00000
    161     -18.2427      2.00000
    162     -18.2383      2.00000
    163     -18.2144      2.00000
    164     -18.2076      2.00000
    165     -18.1857      2.00000
    166     -18.1736      2.00000
    167     -18.1554      2.00000
    168     -18.0726      2.00000
    169     -17.9509      2.00000
    170     -17.9355      2.00000
    171     -17.9260      2.00000
    172     -17.9053      2.00000
    173     -17.8851      2.00000
    174     -17.8678      2.00000
    175     -17.8453      2.00000
    176     -17.8441      2.00000
    177     -17.8247      2.00000
    178     -17.7941      2.00000
    179     -17.7829      2.00000
    180     -17.7701      2.00000
    181     -17.6031      2.00000
    182     -17.5786      2.00000
    183     -17.5621      2.00000
    184     -17.5421      2.00000
    185     -17.5382      2.00000
    186     -17.5168      2.00000
    187     -17.5065      2.00000
    188     -17.4958      2.00000
    189     -17.4913      2.00000
    190     -17.4783      2.00000
    191     -17.4433      2.00000
    192     -17.4415      2.00000
    193     -16.7729      2.00000
    194     -16.7522      2.00000
    195     -16.7345      2.00000
    196     -16.7116      2.00000
    197     -16.6859      2.00000
    198     -16.6567      2.00000
    199     -16.6238      2.00000
    200     -16.6167      2.00000
    201     -16.5836      2.00000
    202     -16.5482      2.00000
    203     -16.5079      2.00000
    204     -16.4924      2.00000
    205     -16.1842      2.00000
    206     -16.1774      2.00000
    207     -16.1605      2.00000
    208     -16.1284      2.00000
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   1345       2.8190     -0.00000
   1346       2.9713     -0.00000
   1347       2.9764     -0.00000
   1348       3.0249     -0.00000
   1349       3.0313     -0.00000
   1350       3.0428     -0.00000
   1351       3.0566     -0.00000
   1352       3.0613     -0.00000
   1353       3.0895     -0.00000
   1354       3.0964     -0.00000
   1355       3.1214     -0.00000
   1356       3.1511     -0.00000
   1357       3.1623     -0.00000
   1358       3.1684     -0.00000
   1359       3.1732     -0.00000
   1360       3.2249     -0.00000
   1361       3.2363     -0.00000
   1362       3.2767     -0.00000
   1363       3.4063     -0.00000
   1364       3.5130     -0.00000
   1365       3.5257     -0.00000
   1366       3.5839     -0.00000
   1367       3.6347     -0.00000
   1368       3.6798     -0.00000
   1369       3.6995     -0.00000
   1370       3.7555     -0.00000
   1371       3.7747     -0.00000
   1372       3.8015     -0.00000
   1373       3.8440      0.00000
   1374       3.8562      0.00000
   1375       3.8704      0.00000
   1376       3.8896      0.00000
   1377       3.9050      0.00000
   1378       3.9218      0.00000
   1379       3.9316      0.00000
   1380       3.9334      0.00000
   1381       3.9503      0.00000
   1382       3.9619      0.00000
   1383       3.9630      0.00000
   1384       3.9836      0.00000
   1385       3.9974      0.00000
   1386       4.0095      0.00000
   1387       4.0236      0.00000
   1388       4.0287      0.00000
   1389       4.0388      0.00000
   1390       4.0534      0.00000
   1391       4.0613      0.00000
   1392       4.0858      0.00000
   1393       4.0932      0.00000
   1394       4.1027      0.00000
   1395       4.1170      0.00000
   1396       4.1286      0.00000
   1397       4.1447      0.00000
   1398       4.1571      0.00000
   1399       4.1722      0.00000
   1400       4.1868      0.00000
   1401       4.1914      0.00000
   1402       4.2010      0.00000
   1403       4.2110      0.00000
   1404       4.2236      0.00000
   1405       4.2400      0.00000
   1406       4.2520      0.00000
   1407       4.2595      0.00000
   1408       4.2966      0.00000
   1409       4.2992      0.00000
   1410       4.3186      0.00000
   1411       4.3337      0.00000
   1412       4.3437      0.00000
   1413       4.3524      0.00000
   1414       4.3674      0.00000
   1415       4.3795      0.00000
   1416       4.3911      0.00000
   1417       4.4099      0.00000
   1418       4.4190      0.00000
   1419       4.4316      0.00000
   1420       4.4355      0.00000
   1421       4.4398      0.00000
   1422       4.4587      0.00000
   1423       4.4823      0.00000
   1424       4.4978      0.00000
   1425       4.5097      0.00000
   1426       4.5133      0.00000
   1427       4.5358      0.00000
   1428       4.5549      0.00000
   1429       4.5835      0.00000
   1430       4.6040      0.00000
   1431       4.6231      0.00000
   1432       4.6379      0.00000
   1433       4.6672      0.00000
   1434       4.6945      0.00000
   1435       4.7198      0.00000
   1436       4.7671      0.00000
   1437       4.7698      0.00000
   1438       4.7827      0.00000
   1439       4.8129      0.00000
   1440       4.8348      0.00000
   1441       4.8536      0.00000
   1442       4.8639      0.00000
   1443       4.9026      0.00000
   1444       4.9125      0.00000
   1445       4.9279      0.00000
   1446       4.9393      0.00000
   1447       4.9449      0.00000
   1448       4.9713      0.00000
   1449       4.9948      0.00000
   1450       5.0053      0.00000
   1451       5.0424      0.00000
   1452       5.0452      0.00000
   1453       5.0563      0.00000
   1454       5.0765      0.00000
   1455       5.0840      0.00000
   1456       5.1010      0.00000
   1457       5.1408      0.00000
   1458       5.1487      0.00000
   1459       5.1500      0.00000
   1460       5.1724      0.00000
   1461       5.1887      0.00000
   1462       5.1987      0.00000
   1463       5.2233      0.00000
   1464       5.2374      0.00000
   1465       5.2459      0.00000
   1466       5.2510      0.00000
   1467       5.2576      0.00000
   1468       5.2637      0.00000
   1469       5.2794      0.00000
   1470       5.3005      0.00000
   1471       5.3042      0.00000
   1472       5.3220      0.00000
   1473       5.3268      0.00000
   1474       5.3422      0.00000
   1475       5.3471      0.00000
   1476       5.3540      0.00000
   1477       5.3706      0.00000
   1478       5.3722      0.00000
   1479       5.3828      0.00000
   1480       5.3877      0.00000
   1481       5.4026      0.00000
   1482       5.4119      0.00000
   1483       5.4150      0.00000
   1484       5.4224      0.00000
   1485       5.4311      0.00000
   1486       5.4404      0.00000
   1487       5.4483      0.00000
   1488       5.4561      0.00000
   1489       5.4734      0.00000
   1490       5.4843      0.00000
   1491       5.4893      0.00000
   1492       5.5045      0.00000
   1493       5.5050      0.00000
   1494       5.5089      0.00000
   1495       5.5190      0.00000
   1496       5.5265      0.00000
   1497       5.5330      0.00000
   1498       5.5423      0.00000
   1499       5.5523      0.00000
   1500       5.5586      0.00000
   1501       5.5637      0.00000
   1502       5.5756      0.00000
   1503       5.5818      0.00000
   1504       5.5920      0.00000
   1505       5.5978      0.00000
   1506       5.6122      0.00000
   1507       5.6165      0.00000
   1508       5.6240      0.00000
   1509       5.6334      0.00000
   1510       5.6484      0.00000
   1511       5.6609      0.00000
   1512       5.6640      0.00000
   1513       5.6674      0.00000
   1514       5.6777      0.00000
   1515       5.6972      0.00000
   1516       5.7182      0.00000
   1517       5.7206      0.00000
   1518       5.7252      0.00000
   1519       5.7273      0.00000
   1520       5.7357      0.00000
   1521       5.7480      0.00000
   1522       5.7562      0.00000
   1523       5.7571      0.00000
   1524       5.7723      0.00000
   1525       5.7806      0.00000
   1526       5.7962      0.00000
   1527       5.8016      0.00000
   1528       5.8207      0.00000
   1529       5.8293      0.00000
   1530       5.8375      0.00000
   1531       5.8423      0.00000
   1532       5.8541      0.00000
   1533       5.8639      0.00000
   1534       5.8695      0.00000
   1535       5.8787      0.00000
   1536       5.8905      0.00000
   1537       5.8959      0.00000
   1538       5.9026      0.00000
   1539       5.9189      0.00000
   1540       5.9254      0.00000
   1541       5.9432      0.00000
   1542       5.9505      0.00000
   1543       5.9581      0.00000
   1544       5.9701      0.00000
   1545       5.9735      0.00000
   1546       5.9867      0.00000
   1547       5.9883      0.00000
   1548       6.0026      0.00000
   1549       6.0187      0.00000
   1550       6.0241      0.00000
   1551       6.0297      0.00000
   1552       6.0368      0.00000
   1553       6.0421      0.00000
   1554       6.0612      0.00000
   1555       6.0747      0.00000
   1556       6.0766      0.00000
   1557       6.0788      0.00000
   1558       6.0924      0.00000
   1559       6.1007      0.00000
   1560       6.1036      0.00000
   1561       6.1087      0.00000
   1562       6.1259      0.00000
   1563       6.1320      0.00000
   1564       6.1425      0.00000
   1565       6.1493      0.00000
   1566       6.1551      0.00000
   1567       6.1768      0.00000
   1568       6.1780      0.00000
   1569       6.1884      0.00000
   1570       6.1993      0.00000
   1571       6.2112      0.00000
   1572       6.2164      0.00000
   1573       6.2215      0.00000
   1574       6.2306      0.00000
   1575       6.2408      0.00000
   1576       6.2522      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.086  13.410  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.410  17.828  -0.001   0.002  -0.000   0.002  -0.006   0.001
 -0.001  -0.001  -4.231   0.003   0.000   8.274  -0.004  -0.001
  0.001   0.002   0.003  -4.231   0.001  -0.004   8.274  -0.001
 -0.000  -0.000   0.000   0.001  -4.224  -0.001  -0.001   8.265
  0.002   0.002   8.274  -0.004  -0.001 -18.313   0.007   0.001
 -0.004  -0.006  -0.004   8.274  -0.001   0.007 -18.310   0.000
  0.000   0.001  -0.001  -0.001   8.265   0.001   0.000 -18.303
 total augmentation occupancy for first ion, spin component:           1
  8.526  -3.849   0.177   0.139  -0.052   0.022   0.026  -0.009
 -3.849   1.810  -0.091  -0.094   0.030  -0.010  -0.016   0.005
  0.177  -0.091   1.785  -0.058  -0.031   0.169  -0.011  -0.006
  0.139  -0.094  -0.058   1.909  -0.103  -0.011   0.179  -0.014
 -0.052   0.030  -0.031  -0.103   1.232  -0.006  -0.014   0.082
  0.022  -0.010   0.169  -0.011  -0.006   0.018  -0.002  -0.001
  0.026  -0.016  -0.011   0.179  -0.014  -0.002   0.018  -0.002
 -0.009   0.005  -0.006  -0.014   0.082  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -48483.70295 81868.07715 17836.38135 -9034.51464  6108.79849 17251.17417
  Hartree  7289.42107108833.63307 55631.74630 -9446.71649  4098.18232 11467.29973
  E(xc)  -10737.24476-10589.48656-10631.65501     2.57557     8.26915    33.89283
  Local    7769.43593************************ 18475.54678-10230.12945-28093.08598
  n-local -5844.36967 -5985.66367 -6041.15405     6.97966    16.97131   -68.06285
  augment  1492.44019  1535.08752  1487.03863     4.51207    12.42586    -4.46316
  Kinetic 45476.10108 43282.71435 43676.89572   -33.74982   -67.81533  -591.30408
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -130.0603788   -374.0274489   -142.4103821    -25.3668720    -53.2976531     -4.5493329
  in kB      -21.6886092    -62.3720710    -23.7480711     -4.2301290     -8.8878103     -0.7586377
  external PRESSURE =     -35.9362504 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.212E+03 -.103E+03 0.233E+03   0.212E+03 0.104E+03 -.235E+03   -.103E+00 -.542E+00 0.139E+01   0.273E-02 0.935E-03 -.172E-02
   -.170E+03 -.129E+03 0.521E+02   0.170E+03 0.130E+03 -.516E+02   0.181E+00 -.127E+01 -.291E+00   0.125E-02 0.135E-02 0.393E-03
   -.136E+03 -.120E+03 0.511E+01   0.136E+03 0.121E+03 -.351E+01   0.371E+00 -.131E+01 -.155E+01   0.775E-03 0.516E-03 0.698E-03
   -.200E+03 -.893E+02 0.323E+03   0.201E+03 0.892E+02 -.326E+03   -.339E+00 0.117E+00 0.246E+01   0.321E-02 0.440E-03 -.233E-02
   -.154E+03 -.141E+03 0.289E+03   0.154E+03 0.142E+03 -.291E+03   0.197E-02 -.700E+00 0.117E+01   0.265E-02 0.270E-03 -.206E-02
   -.125E+03 -.107E+03 0.167E+03   0.125E+03 0.107E+03 -.168E+03   0.126E+00 -.195E+00 0.329E+00   0.145E-02 0.474E-03 -.274E-03
   -.214E+03 -.124E+03 0.162E+03   0.214E+03 0.128E+03 -.163E+03   0.433E+00 -.438E+01 0.929E+00   0.338E-02 0.124E-02 -.326E-02
   -.167E+03 -.101E+03 0.309E+02   0.168E+03 0.105E+03 -.332E+02   -.455E+00 -.414E+01 0.210E+01   -.179E-04 0.241E-02 0.183E-02
   -.874E+02 0.327E+01 0.196E+03   0.873E+02 -.326E+01 -.196E+03   0.106E+00 -.623E-01 0.302E+00   0.807E-03 0.784E-03 -.165E-03
   -.698E+02 0.894E+02 0.597E+02   0.694E+02 -.911E+02 -.587E+02   0.431E+00 0.167E+01 -.103E+01   0.966E-04 0.418E-03 0.125E-02
   -.723E+02 0.102E+03 0.125E+03   0.720E+02 -.103E+03 -.125E+03   0.241E+00 0.116E+01 0.883E-01   0.116E-03 0.135E-05 0.933E-03
   -.885E+02 -.688E+01 0.326E+03   0.886E+02 0.655E+01 -.327E+03   -.170E+00 0.122E+00 0.120E+01   0.981E-03 0.147E-02 -.197E-02
   -.955E+02 -.508E+02 0.353E+03   0.957E+02 0.519E+02 -.355E+03   -.247E+00 -.113E+01 0.219E+01   0.831E-03 0.203E-02 -.248E-02
   -.925E+02 0.138E+02 0.289E+03   0.925E+02 -.138E+02 -.291E+03   0.433E-01 0.109E-01 0.150E+01   0.701E-03 0.984E-03 -.134E-02
   -.870E+02 0.919E+02 0.254E+03   0.864E+02 -.958E+02 -.257E+03   0.663E+00 0.379E+01 0.256E+01   0.161E-02 -.263E-04 -.156E-02
   -.658E+02 0.108E+03 0.960E+02   0.657E+02 -.111E+03 -.100E+03   0.159E+00 0.297E+01 0.358E+01   0.223E-04 -.164E-02 0.336E-02
   -.525E+02 0.924E+02 0.409E+02   0.531E+02 -.878E+02 -.365E+02   -.567E+00 -.454E+01 -.439E+01   0.176E-02 -.184E-02 0.909E-03
   0.137E+02 0.196E+03 -.156E+03   -.142E+02 -.197E+03 0.158E+03   0.633E+00 0.180E+01 -.224E+01   0.552E-03 -.282E-02 0.269E-02
   0.386E+02 0.153E+03 -.200E+03   -.389E+02 -.153E+03 0.202E+03   0.361E+00 0.146E+00 -.201E+01   0.865E-04 -.253E-02 0.254E-02
   -.580E+02 0.902E+02 0.173E+03   0.591E+02 -.892E+02 -.177E+03   -.108E+01 -.973E+00 0.332E+01   0.309E-02 -.829E-03 -.763E-03
   0.101E+02 0.542E+02 0.499E+01   -.112E+02 -.557E+02 -.381E+01   0.112E+01 0.141E+01 -.147E+01   0.273E-02 -.813E-03 0.113E-03
   0.287E+02 0.106E+02 -.119E+03   -.287E+02 -.107E+02 0.120E+03   0.562E-01 0.244E+00 -.924E+00   0.107E-02 -.975E-03 0.172E-02
   -.404E+01 -.438E+02 -.164E+03   0.455E+01 0.440E+02 0.164E+03   -.472E+00 -.210E+00 0.497E+00   0.582E-03 -.736E-03 0.211E-02
   -.209E+02 -.815E+02 -.218E+03   0.220E+02 0.833E+02 0.217E+03   -.100E+01 -.171E+01 0.102E+01   -.656E-03 -.101E-02 0.265E-02
   0.447E+00 -.164E+03 -.320E+03   -.103E+01 0.165E+03 0.322E+03   0.548E+00 -.738E+00 -.175E+01   -.429E-03 -.176E-02 0.194E-02
   -.860E+02 -.160E+03 -.146E+03   0.873E+02 0.160E+03 0.145E+03   -.130E+01 -.103E+00 0.149E+01   0.208E-02 -.909E-04 0.189E-02
   -.823E+02 -.269E+03 -.177E+03   0.829E+02 0.270E+03 0.177E+03   -.526E+00 -.878E+00 0.439E+00   0.271E-02 -.286E-03 0.192E-02
   -.285E+02 -.261E+03 -.271E+03   0.284E+02 0.263E+03 0.271E+03   0.402E-01 -.115E+01 -.295E+00   0.187E-02 -.118E-02 0.135E-02
   -.402E+02 -.265E+02 -.210E+03   0.461E+02 0.344E+02 0.205E+03   -.594E+01 -.785E+01 0.477E+01   -.232E-02 -.139E-02 0.296E-02
   -.204E+01 0.492E+02 0.166E+02   -.224E+01 -.578E+02 -.115E+02   0.431E+01 0.852E+01 -.515E+01   0.336E-02 -.159E-02 0.179E-03
   -.161E+03 -.157E+02 -.543E+02   0.161E+03 0.157E+02 0.559E+02   -.108E+00 -.743E-01 -.150E+01   -.305E-02 -.887E-03 0.231E-02
   -.101E+03 -.137E+03 0.133E+03   0.101E+03 0.138E+03 -.133E+03   0.134E+00 -.129E+01 -.277E+00   -.226E-02 -.793E-03 0.204E-02
   -.109E+03 -.152E+03 0.189E+03   0.108E+03 0.154E+03 -.190E+03   0.493E+00 -.165E+01 0.103E+01   -.148E-02 -.264E-03 0.202E-02
   -.260E+03 0.193E+02 -.182E+03   0.260E+03 -.206E+02 0.185E+03   -.293E+00 0.152E+01 -.234E+01   -.179E-02 -.800E-03 0.175E-02
   -.261E+03 -.515E+02 -.188E+03   0.261E+03 0.515E+02 0.189E+03   -.208E+00 -.294E-01 -.114E+01   -.550E-03 -.113E-03 0.170E-02
   -.174E+03 -.707E+02 0.779E+01   0.174E+03 0.706E+02 -.785E+01   0.245E+00 0.174E+00 -.140E+00   -.939E-03 -.600E-04 0.187E-02
   -.784E+02 -.550E+02 -.269E+02   0.792E+02 0.595E+02 0.291E+02   -.747E+00 -.394E+01 -.247E+01   -.455E-02 -.433E-03 0.291E-02
   -.550E+02 -.132E+03 0.989E+02   0.550E+02 0.135E+03 -.951E+02   0.275E-01 -.313E+01 -.368E+01   -.265E-02 -.716E-03 0.132E-02
   -.146E+03 0.498E+02 0.168E+02   0.146E+03 -.501E+02 -.169E+02   0.115E+00 0.339E+00 -.411E-01   -.342E-03 -.121E-03 0.136E-02
   -.700E+02 0.501E+02 0.219E+03   0.698E+02 -.513E+02 -.220E+03   0.268E+00 0.125E+01 0.171E+01   -.953E-03 -.232E-03 0.779E-03
   -.443E+02 0.704E+02 0.140E+03   0.441E+02 -.719E+02 -.141E+03   0.159E+00 0.140E+01 0.303E+00   -.108E-02 -.184E-02 0.281E-03
   -.185E+03 0.984E+02 -.209E+03   0.185E+03 -.993E+02 0.210E+03   -.120E-01 0.809E+00 -.831E+00   0.839E-03 -.426E-03 0.129E-02
   -.159E+03 0.544E+02 -.279E+03   0.159E+03 -.546E+02 0.282E+03   -.302E+00 0.950E-01 -.219E+01   0.887E-03 -.110E-02 0.150E-02
   -.866E+02 0.555E+02 -.122E+03   0.868E+02 -.563E+02 0.123E+03   -.221E+00 0.716E+00 -.131E+01   -.458E-03 -.206E-02 0.168E-02
   -.410E+02 0.925E+02 -.613E+02   0.410E+02 -.968E+02 0.623E+02   -.205E-01 0.459E+01 -.548E+00   -.129E-02 -.289E-02 0.251E-02
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 -----------------------------------------------------------------------------------------------
   0.432E+02 0.113E+02 -.223E+02   -.591E-11 -.341E-12 -.517E-11   -.430E+02 -.113E+02 0.221E+02   -.136E+00 -.798E-02 0.135E+00
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.23091      3.15722      1.34859         0.073410     -0.037862     -0.138144
     12.98821      3.60280      2.64003        -0.086283      0.041528      0.175487
     12.90902      4.96548      2.94268        -0.000088     -0.001730      0.042739
     13.31069      4.06070      0.29789         0.003550      0.071329     -0.102452
     13.20297      5.42525      0.58611         0.020693      0.098330      0.018544
     13.05949      5.92826      1.90412         0.012070     -0.090995      0.145900
     13.33980      1.67535      1.34956         0.119515     -0.044240     -0.215309
     12.80224      2.39278      3.50619         0.091970     -0.051959     -0.184275
     13.12214      7.40484      2.19354         0.015703     -0.046712      0.100096
     13.10394      7.90338      3.52344         0.096027     -0.045103      0.041732
     13.31671      9.26118      3.75091        -0.032036     -0.108307      0.119881
     13.29210      8.35931      1.15608        -0.039198     -0.205081     -0.096795
     13.49461      9.72083      1.39688         0.033674     -0.038242     -0.197096
     13.51964     10.15462      2.71125         0.107447      0.072675      0.000360
     13.77141     11.50793      3.26230        -0.022834     -0.068637      0.026345
     13.39444     10.02142      5.03498         0.061536      0.209160     -0.512592
     13.74023     12.48227      5.61593        -0.005591      0.105312      0.019806
     13.48348     12.32891      6.98673         0.108675     -0.017285     -0.128358
     13.56841     13.42132      7.84987         0.015585     -0.143461     -0.227113
     14.09291     13.77229      5.19203         0.043906      0.029785      0.009349
     14.17209     14.86642      6.07400         0.022387     -0.108497     -0.295169
     13.87642     14.73963      7.46854         0.037122      0.064697      0.021027
     13.93037     15.85919      8.48794         0.044897     -0.029384      0.074105
     13.19546     15.94834      9.72247         0.101990      0.044440     -0.087871
     13.25050     17.11740     10.49811        -0.039110      0.009476     -0.016976
     14.78179     16.95681      8.23808        -0.035142     -0.088894      0.045023
     14.78911     18.13307      8.97924         0.053054     -0.106411      0.199126
     13.99544     18.22692     10.11342        -0.029235      0.139655      0.121831
     12.36908     14.84414     10.34058        -0.025052      0.003308     -0.039891
     14.72721     16.09620      5.37242         0.033211     -0.084301     -0.088685
      9.90724      3.83614      4.64412         0.080133     -0.094602      0.114911
      9.70267      4.75402      3.62026        -0.008603      0.113513     -0.120202
      9.70523      6.13934      3.86818         0.022309      0.058455     -0.081215
     10.24009      4.27587      5.92318         0.028833      0.141712     -0.017686
     10.33229      5.65281      6.15021         0.044867      0.022883      0.023330
     10.02639      6.62913      5.16737        -0.077138      0.028042     -0.203963
      9.73725      2.44562      4.11779         0.005833      0.541565     -0.282349
      9.56125      3.97074      2.33853        -0.001472     -0.184886      0.096850
     10.06156      8.10045      5.53109         0.041743      0.033710     -0.156958
     10.05903      9.15265      4.57349         0.047983      0.062235     -0.085014
     10.14846     10.48510      4.99826        -0.003380     -0.076938     -0.133864
     10.11692      8.50055      6.89021         0.054721     -0.114219      0.063827
     10.20558      9.83451      7.31069        -0.104060     -0.110362      0.151337
     10.21862     10.83227      6.34459         0.015790     -0.003610     -0.017729
     10.28863     12.31462      6.46893        -0.026024      0.249708      0.503495
     10.22126     11.75113      4.20141         0.086340      0.041962      0.209721
     10.68947     14.20137      4.80012         0.013877      0.095007      0.090111
     11.24020     14.54312      3.56264        -0.102538      0.056391      0.010990
     11.60561     15.86012      3.28036         0.118725     -0.104603      0.048858
     10.54870     15.26556      5.71094         0.017011      0.014800      0.066793
     10.96852     16.58785      5.43824         0.050527     -0.105215      0.019122
     11.55101     16.95741      4.16055         0.024552      0.154164      0.070232
     12.07709     18.33150      3.70282        -0.074009     -0.076062      0.006916
     12.69872     18.71511      2.44786         0.146866      0.131686     -0.132358
     12.98563     20.06650      2.16378         0.119915     -0.144567     -0.098223
     11.93111     19.43965      4.56332         0.012484      0.018569     -0.019963
     12.23015     20.77284      4.28942        -0.095219     -0.112389     -0.019639
     12.73658     21.13170      3.04304         0.016930     -0.072910     -0.063825
     13.22784     17.81887      1.31341         0.103540     -0.120708      0.029117
     10.76944     17.50363      6.64190         0.103600      0.114979      0.030029
     10.69523      7.05950     14.89970         0.043928      0.124166     -0.195520
     10.64517      7.49578     16.21802        -0.084702     -0.073930      0.212483
     10.65888      8.86301     16.53620        -0.076256     -0.069341      0.107607
     10.70296      7.97867     13.85440        -0.029584     -0.055976     -0.039460
     10.67211      9.33635     14.16735         0.077754      0.182381      0.018775
     10.68630      9.83250     15.49781         0.017870     -0.103597     -0.106857
     10.64237      5.57875     14.85750         0.117911     -0.455595     -0.880502
     10.47981      6.26175     17.07659        -0.054973     -0.049974      0.866078
     10.72005     11.32130     15.73584        -0.029194      0.013460      0.027962
     10.78687     11.90529     17.03137         0.031904     -0.083089     -0.014502
     10.83892     13.29469     17.14784         0.020154     -0.023257      0.157089
     10.70120     12.21563     14.62946        -0.018610     -0.224039      0.032391
     10.79021     13.60172     14.75743         0.045310     -0.119916     -0.031136
     10.86193     14.12877     16.03554         0.050884      0.159241     -0.013188
     10.94605     15.54648     16.47467        -0.029322     -0.004926      0.073438
     10.86469     14.16505     18.36718         0.077408      0.187470     -0.363262
     10.81836     16.69668     18.72524         0.112576      0.093329     -0.069907
     10.05677     16.70634     19.88469        -0.012948      0.127875     -0.060650
      9.85901     17.88779     20.60079         0.015000     -0.076509     -0.051509
     11.44148     17.90810     18.39592        -0.030335      0.109042      0.059999
     11.28939     19.08824     19.16286         0.080733     -0.111280     -0.154613
     10.42726     19.14814     20.33065        -0.014533      0.010258      0.030234
     10.08814     20.33957      0.00964        -0.036137     -0.019291      0.035521
      9.35464     20.30269      1.26205        -0.100775     -0.060225      0.224291
      9.16806      0.18578      2.07444         0.010278      0.074719      0.116607
     10.49029      0.40249     20.96942         0.090712      0.036009      0.063860
     10.34485      1.52832      0.53697        -0.091182      0.049981     -0.049064
      9.69234      1.45430      1.77249         0.057230     -0.147752     -0.160191
      8.70266     19.07881      1.90115        -0.185025      0.031795     -0.113607
     12.18380     20.20144     18.63677         0.136675     -0.055036     -0.156249
      7.33243      7.67410     17.26086         0.115398      0.011370      0.044363
      7.10114      8.58846     16.23664         0.083456      0.119390     -0.013348
      7.05709      9.96924     16.50094         0.031242      0.023134     -0.136379
      7.66103      8.10456     18.53964         0.012945      0.055175      0.071191
      7.68725      9.48059     18.78204         0.044431      0.028001      0.013538
      7.33599     10.45625     17.81153        -0.043219     -0.016685     -0.067305
      7.24313      6.29080     16.73294        -0.016585      0.043556      0.037682
      7.03603      7.79139     14.95443         0.046794      0.032162     -0.079235
      7.28878     11.92208     18.21055        -0.069741      0.136975     -0.179192
      7.07908     13.00283     17.30079         0.027841      0.020366     -0.088990
      7.09544     14.32756     17.76340        -0.000316      0.008139     -0.168196
      7.46328     12.28994     19.56992         0.048542     -0.093234      0.009567
      7.43335     13.60989     20.03544        -0.108574     -0.097299      0.043941
      7.24088     14.63552     19.11484        -0.025895      0.001715      0.043952
      7.17957     16.11660     19.29318        -0.052037      0.385712      0.544215
      7.03724     15.63539     17.01437         0.039724      0.149193     -0.169935
      7.51790     18.07298     17.69355        -0.001293      0.173545      0.019675
      8.39843     18.41718     16.66849         0.082901     -0.084396     -0.079803
      8.83178     19.73446     16.49666         0.103954     -0.115203      0.092677
      7.04256     19.15654     18.44881        -0.031381     -0.046455      0.107640
      7.44785     20.49860     18.24574         0.064071      0.022630      0.012075
      8.44417     20.85773     17.25122        -0.064735      0.097433      0.023406
      9.06582      0.98395     16.93072         0.013626     -0.063066     -0.161957
      9.88715      1.38389     15.80173        -0.048513     -0.093785     -0.071557
     10.33805      2.70623     15.63703         0.083259      0.015629     -0.021768
      8.83744      2.07902     17.78052         0.227146      0.099450      0.154669
      9.27686      3.39625     17.61035         0.032030      0.226889      0.048158
     10.03616      3.76866     16.50005        -0.086792     -0.314716      0.103299
     10.42032      0.52782     14.65303        -0.100995      0.125007     -0.219418
      6.71388      0.20646     19.16916         0.241806      0.022174      0.075454
      6.86789     10.80432      6.34186        -0.018354     -0.038532     -0.114312
      6.89068     11.26660      7.65137         0.025446      0.000820      0.115816
      6.93928     12.63949      7.95565         0.050151     -0.020250      0.097972
      6.90430     11.72092      5.29135        -0.037911      0.034010      0.008983
      6.94810     13.08932      5.59283        -0.009248      0.129959      0.012900
      6.96405     13.61488      6.91449         0.016205     -0.093760      0.084237
      6.86895      9.30393      6.33512        -0.078251      0.344450      0.355389
      6.90153     10.05437      8.54852        -0.017349      0.055268     -0.151653
      7.03359     15.12268      7.15067         0.054282      0.005781     -0.002261
      7.17349     15.72420      8.43366         0.081264     -0.022750      0.110869
      7.27486     17.12158      8.55538         0.034449     -0.097471      0.024383
      7.02757     16.02811      6.04986         0.023491     -0.279281     -0.082006
      7.12816     17.41663      6.17451        -0.060080     -0.157815     -0.076752
      7.22230     17.95884      7.44714        -0.030225      0.042531     -0.080819
      7.35646     19.38719      7.86099         0.069339     -0.539063      0.411378
      7.54497     17.99127      9.75201        -0.058486      0.203043     -0.513776
      7.77405     20.51143     10.11038        -0.038388      0.088393      0.217329
      7.25122     20.50554     11.40143        -0.022780     -0.062521      0.036702
      7.23174      0.39698     12.18552         0.006659     -0.137187     -0.230626
      8.44082      0.43406      9.75100         0.047416      0.085575     -0.035291
      8.56093      1.55029     10.61940         0.073889      0.015616     -0.274798
      7.83569      1.62354     11.87163         0.072308      0.155908     -0.120969
      7.61322      2.82494     12.79970        -0.156392     -0.233807      0.147910
      6.98439      2.81659     14.10962        -0.112715     -0.037765      0.046221
      6.78285      4.01337     14.82297        -0.011681      0.086213      0.100948
      7.95432      4.12841     12.38536         0.122068      0.215701      0.115496
      7.84792      5.30018     13.15841        -0.034843      0.107878     -0.143474
      7.24572      5.27578     14.41799         0.053904     -0.343098     -0.051716
      6.35186      1.64363     14.88633        -0.062643      0.047926      0.194925
      9.59869      2.56098     10.11792        -0.142592      0.023387      0.247429
      4.29486     11.58233     10.27632        -0.006354     -0.097391      0.000303
      4.09068     12.44768      9.20877         0.001249      0.046435     -0.015711
      4.28971     13.82833      9.35401        -0.079801     -0.087029     -0.153914
      4.76887     12.05523     11.49556        -0.009042      0.001759      0.083359
      4.85728     13.43644     11.67182         0.003001      0.140200      0.049719
      4.57863     14.36515     10.63643        -0.068221     -0.041848     -0.112675
      3.86967     10.20989      9.90190         0.014765      0.000054     -0.037010
      3.60714     11.61872      8.04623         0.076770     -0.098758      0.159156
      4.52918     15.84178     10.92075        -0.063274      0.101265     -0.165804
      4.07984     16.78349      9.94680        -0.025555     -0.020220     -0.073447
      4.04487     18.14717     10.25966         0.120550      0.029846      0.097261
      4.90246     16.34703     12.19169         0.039151     -0.144214     -0.039023
      4.77956     17.69301     12.53131         0.015722     -0.088019      0.135775
      4.35038     18.57299     11.55160        -0.035409      0.000482      0.068574
      4.23778     20.03726     11.63753        -0.025309      0.313611      0.354470
      3.84452     19.38965      9.42989        -0.114031      0.098752     -0.706711
      4.38918      0.60294      9.94824         0.160498      0.247668     -0.078704
      4.96947      0.96385      8.73043        -0.028041      0.066794     -0.030793
      5.50868      2.23671      8.56819         0.168346      0.070708      0.188290
      4.26982      1.65136     10.86159        -0.031984      0.148503      0.134569
      4.72666      2.98167     10.64563        -0.070821     -0.056471      0.065476
      5.48682      3.33421      9.46938         0.033996      0.080215      0.093554
      6.11684      4.70178      9.05225        -0.152432     -0.113961     -0.044288
      6.57164      5.05841      7.72757        -0.044272      0.147375     -0.300490
      6.80809      6.39846      7.32630        -0.041603     -0.226299      0.002195
      6.15681      5.82654      9.91891         0.008495      0.189769     -0.228099
      6.35727      7.16712      9.51441         0.082491     -0.208310      0.047147
      6.64831      7.50956      8.17859        -0.002618     -0.267538      0.091233
      6.80135      4.07838      6.57413         0.092853     -0.036392      0.209704
      4.06595      3.79841     11.75956         0.006025     -0.113716     -0.160164
      0.76443     14.06208      1.09241        -0.116715     -0.410524      0.017323
      1.49868     14.49565      2.19134         0.009622      0.003539     -0.081431
      1.54093     15.88854      2.48253        -0.040172     -0.110043      0.052580
      0.15172     14.92764      0.20527        -0.008818      0.029438     -0.091370
      0.28916     16.28825      0.43733         0.098236      0.171824      0.064439
      0.92736     16.83062      1.59077        -0.075379     -0.033054     -0.217831
      0.71809     12.58081      1.02616         0.324996      0.414588      0.409581
      2.13065     13.21455      2.78277        -0.285729      0.120893     -0.402805
      0.90141     18.35967      1.72600         0.078248      0.025283      0.164903
      1.35317     19.11142      2.85186        -0.004413      0.021013     -0.045351
      1.25296     20.51950      2.84855         0.108037     -0.029167      0.188800
      0.37934     19.13360      0.65058        -0.102917     -0.076995     -0.116349
      0.22938     20.52021      0.66951         0.061058     -0.024901      0.020545
      0.67253     -0.05250      1.79084        -0.163202      0.232971     -0.166822
      0.61625      1.41588      2.06430         0.193698     -0.370214      0.409103
      1.71856      0.30703      3.83429        -0.279009      0.179407     -0.358483
      1.33262      2.87331      4.04567         0.131026     -0.128543      0.067178
      2.05206      2.97764      5.24679        -0.032780      0.027194     -0.062641
      2.19437      4.19561      5.90807         0.046000      0.003362     -0.068113
      0.69856      4.06356      3.63836        -0.115820      0.178017     -0.087860
      0.76893      5.26424      4.39267         0.022000     -0.116506     -0.131901
      1.59588      5.42496      5.55269         0.137727      0.048752     -0.026458
      1.94987      6.70362      6.35035         0.101611     -0.255238      0.161535
      2.39125      6.72114      7.71730         0.199335      0.124310      0.226657
      2.84282      7.88333      8.36694        -0.027450     -0.019736      0.018844
      2.01251      8.00339      5.78877        -0.046737      0.297926     -0.074766
      2.47129      9.17731      6.43174         0.090473     -0.108874      0.000198
      2.91839      9.14664      7.76792         0.109442     -0.066556     -0.048801
      2.60470      5.53040      8.62680        -0.301768     -0.163887     -0.089969
     -0.06604      6.37815      3.81822        -0.141233      0.089807      0.220775
      4.49794     14.16952      0.58845         0.070961      0.131238      0.086436
      3.93090     15.09323     -0.28276        -0.121501      0.076090     -0.180481
      3.99904     16.48105     -0.05125        -0.182552      0.050169     -0.087592
      5.12375     14.63272      1.74743        -0.047671     -0.060580     -0.125153
      5.12830     16.00981      2.00554        -0.003760      0.206307      0.131910
      4.57463     17.00518      1.14184        -0.006436      0.039588      0.173732
      4.29043     12.78723      0.05756         0.084148      0.114111      0.030210
      3.25950     14.30167     19.87260        -0.115321      0.112444     -0.148243
      4.60347     18.49860      1.56793         0.008328     -0.132508     -0.002889
      4.15603     19.62327      0.80811        -0.119076      0.060110     -0.091303
      4.28409     20.93879      1.31513        -0.011251      0.137918     -0.013796
      5.11657     18.82418      2.85236         0.009292     -0.261313     -0.000908
      5.28999     20.11924      3.34194         0.001443      0.076403     -0.004882
      4.89511     21.18537      2.54203         0.166851     -0.045249      0.123899
      5.04965      1.39873      2.77616        -0.310690     -0.338332     -0.489817
      3.84415      1.03890      0.78720         0.177848     -0.149773      0.226582
      4.05882      3.48086      1.65771        -0.018423     -0.004843     -0.088486
      3.23501      4.04324      0.66508         0.020450     -0.054764      0.021099
      2.97781      5.41276      0.61671        -0.062150      0.276356      0.131256
      4.58349      4.41922      2.57016        -0.101064     -0.013494     -0.038306
      4.21181      5.79060      2.58603         0.093543     -0.241998      0.085929
      3.36790      6.37486      1.59099         0.184911     -0.059193     -0.151964
      2.93247      7.84206      1.56116        -0.059106      0.237182     -0.156252
      1.67408      8.37587      1.11731        -0.050704     -0.232775     -0.227999
      1.30345      9.71189      1.34173         0.119104      0.125144     -0.033443
      3.77441      8.86474      2.06245        -0.026227      0.019572      0.082730
      3.41235     10.20167      2.30516        -0.225666      0.256678     -0.173042
      2.13305     10.68698      1.94232         0.098392     -0.323572     -0.180430
      0.65195      7.60312      0.26619         0.144968     -0.111310      0.128133
      4.86901      6.48446      3.77275         0.017146     -0.034714     -0.023822
     18.01974     17.31837     13.95075        -0.026397      0.041753      0.046573
     18.96528     17.78872     14.85418         0.158330      0.166914      0.113536
     19.17806     19.16326     15.05706         0.063547     -0.085166      0.078207
     17.33356     18.21703     13.14087        -0.097942      0.075008     -0.064143
     17.60994     19.58341     13.27538        -0.062737      0.041459     -0.033526
     18.47934     20.11653     14.26005         0.073146     -0.133689      0.174752
     17.99858     15.82774     13.99467        -0.348143     -0.146365     -0.208230
     19.68826     16.59197     15.40952        -0.216880      0.085058     -0.206346
     18.61623      0.35376     14.43823         0.065252      0.079804      0.218952
     19.46508      0.94543     15.41257         0.156389      0.042376      0.243690
     19.50149      2.33803     15.56861         0.104115     -0.014127      0.102849
     17.84098      1.25966     13.66914        -0.039610     -0.075206     -0.033888
     17.87702      2.65161     13.82855        -0.112911     -0.118945     -0.095465
     18.72002      3.18939     14.79495        -0.096202      0.024100      0.031268
     18.94586      4.60422     15.22071        -0.116443      0.199001     -0.113746
     20.30596      3.19143     16.51384        -0.283340      0.076255     -0.194918
     20.50545      5.72956     16.88823         0.148014     -0.003933      0.079647
      0.58263      5.74124     17.27664         0.192501     -0.175186      0.011518
      1.21246      6.91239     17.70169        -0.052368     -0.159519     -0.089315
     19.82390      6.92513     17.13071        -0.293847      0.138371     -0.059584
     20.41796      8.07398     17.69881         0.172098      0.164615      0.075867
      0.58536      8.14178     17.95989        -0.078961      0.241270     -0.003735
      1.42769      9.32487     18.50499        -0.335827      0.211635     -0.220460
      2.77675      9.33355     19.01746         0.561180     -0.094243     -0.038786
      3.38802     10.52953     19.46722        -0.199836      0.074578     -0.060995
      0.86026     10.62812     18.51202         0.317935      0.071798      0.290519
      1.44582     11.79577     19.03992         0.298300     -0.413722     -0.134879
      2.75420     11.77081     19.54752        -0.173896     -0.046647      0.048273
      3.89278      8.25777     19.02815         0.102249     -0.188595      0.002694
     19.38952      9.16554     18.01320        -0.036974     -0.241008     -0.187516
      1.68302     18.34713     14.15699         0.055910      0.026477     -0.128216
      1.01786     19.25034     13.32918        -0.214164      0.116608      0.005791
      1.06700     20.62844     13.54869         0.018835     -0.066614     -0.097758
      2.44177     18.79732     15.22935        -0.005122      0.092147      0.119624
      2.48671     20.17237     15.46782        -0.031124      0.086691      0.068186
      1.81730     21.11587     14.65247        -0.192445      0.037433     -0.116332
      1.42449     16.96913     13.67840         0.123783     -0.179365      0.065054
      0.25802     18.46147     12.30768         0.117711     -0.111828      0.169998
      1.95153      1.31524     14.93479        -0.100135      0.193886     -0.167206
      1.44637      2.30605     14.05582        -0.138169     -0.045955     -0.122336
      1.72461      3.64602     14.30707        -0.156936      0.007241     -0.026441
      2.61430      1.77535     16.09303         0.135384      0.040335      0.151027
      2.96734      3.11416     16.29258         0.048978     -0.224288      0.172121
      2.55487      4.04463     15.35047         0.041430     -0.107224      0.005386
      2.76560      5.51035     15.27271         0.094368     -0.112617      0.048398
      1.20742      4.87386     13.64622        -0.174068      0.130348     -0.068835
      1.40918      7.33736     14.21103         0.158612      0.228983      0.026270
      0.08510      7.64195     13.91539         0.098273      0.043900      0.102104
     20.88759      8.94233     14.07218        -0.059712     -0.049065      0.018912
      2.24007      8.42219     14.54201         0.067440      0.010809      0.052702
      1.77567      9.75196     14.65185        -0.056384     -0.196206      0.077119
      0.36785     10.07179     14.46711         0.045900      0.145213      0.030107
     20.87469     11.40512     14.61983        -0.001200     -0.048606     -0.014426
     19.47472     11.67333     14.31461        -0.185393      0.090992      0.013278
     18.93267     12.97173     14.42233        -0.088761     -0.074428      0.056863
      0.28086     12.56330     15.09095        -0.082222     -0.029892     -0.008378
     -0.25855     13.85083     15.17371        -0.036468     -0.050649     -0.019040
     19.67361     14.09818     14.81902        -0.105818     -0.187577     -0.081872
     18.36495     10.67465     13.93200        -0.066571     -0.104943      0.063507
      2.88968     10.71234     15.04465        -0.157507      0.110156      0.016889
     16.44634      0.43053      5.27252        -0.126502     -0.031851     -0.110234
     16.95437      0.77440      6.51909         0.006696      0.024894      0.080713
     16.82577      2.08251      7.02234        -0.014741      0.083813     -0.004364
     15.83003      1.36538      4.46817        -0.028545      0.195842     -0.004327
     15.74631      2.67345      4.94109        -0.006150      0.094063      0.050644
     16.21941      3.09437      6.21326         0.035723     -0.002711      0.023526
     16.75755     20.28530      4.93765        -0.000061      0.032947      0.012118
     17.69878     20.82171      7.01717        -0.058660     -0.041110     -0.038327
     16.17010      4.58845      6.53579        -0.005512      0.011389      0.006739
     16.63071      5.22476      7.72773         0.011878     -0.072993      0.030075
     16.67300      6.63202      7.79545        -0.081753     -0.081872      0.125375
     15.69941      5.46596      5.51959        -0.017724     -0.126260     -0.044406
     15.77579      6.85634      5.57984        -0.102772     -0.110642     -0.090506
     16.27652      7.43643      6.73258        -0.089855      0.098771      0.005198
     16.50894      8.87509      7.03975         0.074922     -0.358672      0.368950
     17.18627      7.55073      8.87124        -0.271328      0.239177     -0.457264
     17.61699     10.08652      8.98423         0.044473      0.083163      0.105978
     18.63941      9.99751      9.92909        -0.090523      0.069233      0.178683
     19.24092     11.13793     10.47097        -0.057137     -0.122473     -0.015169
     17.20537     11.39787      8.69064         0.010422      0.090409      0.003663
     17.83938     12.54484      9.23109        -0.182017     -0.068612     -0.157208
     18.94133     12.46866     10.14727         0.112666      0.074907      0.112847
     19.74352     13.61431     10.79573         0.111411      0.061289      0.033935
     21.08154     13.56999     11.34633         0.034631      0.049595      0.049338
      0.43058     14.71398     11.90535         0.025499      0.022996     -0.022242
     19.16968     14.90187     10.94027        -0.095949     -0.168998      0.074581
     19.79065     16.03753     11.46653         0.075978     -0.065192      0.045310
     21.08825     15.96967     11.97580         0.047240     -0.196116     -0.110764
      0.87079     12.45674     11.31143        -0.009762      0.047159     -0.127501
     17.16419     13.82183      8.79405         0.006289      0.034545     -0.031182
     20.22330      1.55162      6.27295         0.118201     -0.098978      0.059392
     19.61868      2.56716      5.52529         0.044535      0.097217      0.095196
     19.48837      3.85362      6.01207        -0.012635     -0.083324      0.068203
     20.70111      1.80355      7.55272        -0.030864      0.058345      0.035458
     20.55648      3.10219      8.05526         0.010614      0.095944      0.196777
     19.97014      4.15844      7.30807        -0.031037      0.014293     -0.044081
     20.26186      0.31169      5.44862        -0.065620      0.227972     -0.015721
     19.22878      2.02253      4.19241         0.195472     -0.233359      0.457755
     19.97991      5.57868      7.76521        -0.130357     -0.001462     -0.082287
     19.51921      6.59931      6.90379         0.055764      0.044341      0.030310
     19.84723      7.92182      7.17470         0.019850      0.013203      0.061298
     -0.74536      5.98245      9.00856         0.002276     -0.023514      0.173414
     -0.45924      7.31930      9.29706         0.113053     -0.113464      0.153839
     20.55880      8.27153      8.31251        -0.048975     -0.023762     -0.038578
     -0.31439      9.69394      8.20241         0.080500      0.122770      0.034372
     19.61492      9.15263      6.37007        -0.001242     -0.051607     -0.086596
     20.27321     11.59878      6.64067         0.004556      0.050377      0.042987
     19.29517     12.04182      5.73805         0.077766      0.097325      0.119084
     19.12864     13.39449      5.47397        -0.046795      0.032838      0.125533
     21.14092     12.58583      7.15251         0.074518      0.055979      0.044207
     20.98382     13.95241      6.84395         0.042096     -0.054440      0.130000
     19.90211     14.42634      6.04033        -0.010406      0.151654     -0.004286
     19.45393     15.86188      5.87958        -0.015436     -0.014754     -0.034766
     18.77866     16.41906      4.74679        -0.108165      0.041941     -0.091179
     18.20550     17.70301      4.79852         0.053026     -0.115365     -0.102779
     19.55196     16.75121      6.97811        -0.073198      0.055167     -0.045639
     19.02679     18.04445      7.01494        -0.048959     -0.103433     -0.016434
     18.28120     18.53519      5.93386         0.045426     -0.068404     -0.015924
     18.52464     15.68932      3.42400        -0.004154     -0.030452      0.040918
      0.79197     14.87096      7.40915         0.048346      0.087665      0.004331
     12.70643      5.26922      3.97338         0.070161     -0.037395     -0.068844
     13.42634      3.71022     20.52931         0.060118      0.043480      0.011758
     13.23010      6.11926     21.00439         0.071756     -0.022341      0.015658
     12.95629      7.25067      4.38586         0.011713     -0.015381     -0.067357
     13.27754      8.02615      0.11676         0.039892      0.025407      0.044303
     13.65568     10.42981      0.58348        -0.039906     -0.049829     -0.065723
     13.44719     13.19337      8.89384        -0.094440     -0.051922      0.213248
     13.23715     11.34401      7.37027         0.036132      0.013473      0.170007
     14.30674     13.94082      4.13874         0.031341     -0.064079      0.172611
     12.67603     17.16633     11.42253         0.001770     -0.038004     -0.043484
     15.49005     16.89551      7.42880         0.042587     -0.010837     -0.002860
     15.43243     18.96495      8.68273         0.042284     -0.075744     -0.019277
      9.44879      6.83015      3.05996         0.057606     -0.066356      0.012531
     10.42044      3.57998      6.74039         0.065246     -0.101962     -0.030077
     10.65591      5.98063      7.13953        -0.042085     -0.073680     -0.012532
     10.00759      8.95239      3.50124         0.006873     -0.056679      0.022336
     10.07471      7.73467      7.66656         0.014627      0.057906     -0.007590
     10.24849     10.07183      8.37901        -0.004154      0.007860     -0.131451
     11.99648     16.01353      2.29157         0.077842     -0.063373     -0.110856
     11.40583     13.77865      2.81501         0.006805     -0.029398     -0.241200
     10.15077     15.04853      6.69892         0.029668      0.018052     -0.090786
     13.44439     20.28988      1.20653        -0.044484      0.029707      0.072899
     11.55288     19.28597      5.55498        -0.078651      0.118752     -0.070066
     12.00818      0.26499      5.03295         0.004941      0.078633      0.225231
     10.57788      9.17390     17.57875         0.100505     -0.058070      0.037473
     10.68920      7.65429     12.81198         0.047044     -0.044948      0.041770
     10.62350     10.04140     13.33480         0.079711     -0.151091      0.058017
     10.80170     11.30162     17.94406        -0.011531     -0.000081     -0.117324
     10.61250     11.82049     13.61709         0.065690      0.049229      0.059779
     10.81647     14.24451     13.88168        -0.045186      0.081608     -0.142186
      9.17969     17.77059      0.16266        -0.023656     -0.039460     -0.088567
      9.56696     15.79806     20.21388        -0.007538     -0.064329      0.185842
     12.06071     17.95222     17.50232        -0.032922      0.007152      0.119576
      8.61919      0.05782      3.00442         0.071946      0.081156     -0.056635
     10.96588      0.60786     20.02332         0.120525     -0.024600     -0.023746
     10.76084      2.47772      0.20368        -0.093321      0.008290     -0.139776
      6.80890     10.66145     15.69334         0.033661     -0.038333     -0.011173
      7.92233      7.39079     19.32642        -0.058916      0.067365     -0.079484
      8.00866      9.79739     19.77349        -0.078527     -0.018029      0.020157
      6.91602     12.83794     16.23336         0.077923     -0.095702      0.004597
      7.62891     11.51226     20.31595        -0.062570      0.088009      0.000938
      7.55989     13.80347     -0.15561         0.013014      0.067739     -0.087113
      9.54591     19.86226     15.70355         0.189588     -0.092856      0.005306
      8.80516     17.65917     16.00429         0.058847     -0.044205     -0.055507
      6.34288     18.95569     19.25488        -0.008396      0.002231     -0.014947
     10.91014      2.90190     14.74380         0.119384      0.177486     -0.015780
      8.29531      1.92965     18.69212        -0.174551      0.012272      0.133317
      8.94608      4.14046     18.32533         0.119481     -0.011118      0.208223
      6.94465     12.93169      9.00708         0.112508      0.040561     -0.028306
      6.91465     11.39307      4.24860        -0.034154     -0.023250      0.064126
      6.99349     13.77915      4.74650        -0.026539     -0.099246      0.059754
      7.23350     15.11720      9.33944         0.036786     -0.014011     -0.033928
      6.98821     15.62822      5.03520        -0.029352      0.022813      0.043953
      7.21558     18.05627      5.29441        -0.147064     -0.037344     -0.013861
      6.67879      0.29117     13.09433        -0.168409     -0.044840      0.153508
      6.83003     19.58660     11.79299        -0.108594      0.004346      0.136247
      8.89325      0.50515      8.76519         0.145928     -0.043842      0.007812
      6.24885      3.95740     15.76264         0.066622      0.012788      0.037414
      8.34869      4.27346     11.38788         0.105904      0.000577      0.006820
      8.25488      6.23388     12.76981        -0.124380     -0.039722     -0.155578
      4.21815     14.47717      8.47982        -0.192822     -0.046295      0.073229
      5.01350     11.37558     12.31378        -0.110953     -0.012588     -0.047300
      5.09878     13.80904     12.66960         0.041823     -0.089475     -0.072744
      3.76338     16.44876      8.95765         0.047677      0.041620     -0.024834
      5.32531     15.68471     12.94623        -0.062489     -0.032134      0.005188
      5.05759     18.05393     13.52644        -0.017525     -0.074858     -0.105296
      6.03039      2.33658      7.64522         0.053028     -0.113519     -0.141159
      5.04832      0.27015      7.90082         0.084131     -0.150151     -0.056555
      3.78771      1.42654     11.80960        -0.018226      0.112976     -0.074387
      7.08007      6.55852      6.28750         0.024773      0.075280      0.089304
      5.98911      5.67654     10.98088        -0.079830      0.066579     -0.112626
      6.26078      7.95976     10.24815         0.048705     -0.044011      0.264072
      2.02773     16.24493      3.39313         0.095653     -0.058074     -0.025469
     -0.38640     14.54219     20.59153         0.036978      0.096073      0.134185
     -0.10305     16.94516     20.92279        -0.153889     -0.036119      0.151803
      1.77166     18.61177      3.72354         0.055117     -0.023955      0.113983
      0.05452     18.64853     20.99284        -0.017110     -0.029331      0.013956
     -0.20727     -0.20049     21.08441         0.030624     -0.058127     -0.003809
      2.86213      4.15591      6.74763         0.078993     -0.047548     -0.033654
      2.51323      2.09652      5.67831         0.195315     -0.015376      0.003261
      0.10560      4.07614      2.72182         0.004386     -0.056867      0.162807
      3.15310      7.79898      9.40121         0.012225      0.025509     -0.044058
      1.72557      8.14701      4.74995         0.028562     -0.057922     -0.003570
      2.52203     10.11003      5.87325        -0.099563     -0.029801     -0.118882
      3.56897     17.13457     20.45200        -0.117958      0.185791     -0.046580
      5.55927     13.92592      2.46190        -0.030452      0.144588     -0.057395
      5.57491     16.30808      2.95695         0.011832      0.008062     -0.153217
      3.70677     19.49936     -0.17730        -0.023341     -0.071350     -0.066710
      5.43705     18.01948      3.50944        -0.007164     -0.004281      0.058436
      5.73407     20.29095      4.32563        -0.029089     -0.023516     -0.032483
      2.45488      5.74805     -0.26635        -0.208414     -0.017911      0.085714
      2.77358      3.40647     -0.08106         0.055463     -0.006440     -0.181888
      5.28443      4.09199      3.32729        -0.029876     -0.163696      0.114679
      0.34222     10.02635      0.96631        -0.149537      0.015610      0.007754
      4.80547      8.59784      2.27641         0.067844      0.112376      0.054063
      4.16162     10.87331      2.71645         0.030165      0.012973      0.018397
     19.89520     19.47318     15.82440        -0.053329     -0.005500     -0.110255
     16.62210     17.86854     12.38782         0.018061      0.012563      0.027909
     17.13638     20.26032     12.56347        -0.100591     -0.050405      0.071512
     20.09235      0.34371     16.07688        -0.042489     -0.021980     -0.099147
     17.15220      0.86308     12.92480        -0.021460      0.045558     -0.041618
     17.23366      3.28455     13.21343         0.058300      0.035434      0.033633
      2.27433      6.81134     17.85247         0.024710      0.057345     -0.000150
      1.14092      4.80874     17.25005         0.133390      0.108357     -0.041050
     18.77279      6.98509     16.88312        -0.183506     -0.028917     -0.016702
      4.41533     10.47052     19.78214         0.176087      0.055811      0.152200
     -0.11958     10.76162     18.08096        -0.006007      0.107607      0.021707
      0.87877     12.71186     19.03544        -0.260459      0.320658     -0.092378
      0.53805      0.04484     12.86128         0.100908     -0.187631      0.207809
      2.98103     18.10610     15.87619        -0.015431     -0.088502      0.015055
      3.06658     20.53891     16.32007         0.009908     -0.165614     -0.169101
      0.84600      2.04758     13.17656         0.100497      0.039021      0.132558
      2.86669      1.06964     16.88512         0.117622      0.051245     -0.057596
      3.50179      3.40247     17.20125         0.065144      0.031662     -0.120994
     19.84010      9.03326     13.88441        -0.104689     -0.012071      0.053523
     20.64613      6.86880     13.62247        -0.183629     -0.076332     -0.041885
      3.28348      8.20139     14.76840        -0.148605      0.164778     -0.098574
     17.88111     13.09871     14.17713         0.143122      0.075361      0.024253
      1.30197     12.49046     15.43621         0.024028      0.005723     -0.121818
      0.37528     14.67526     15.46722         0.235416      0.010566      0.232196
     17.25923      2.32383      7.99631        -0.025598      0.009460     -0.020333
     15.48635      1.09175      3.46994         0.000042      0.044497      0.045681
     15.32647      3.40183      4.25164         0.007909     -0.077896      0.058491
     16.98658      4.65161      8.59138        -0.026881      0.006286     -0.140309
     15.24952      5.04171      4.62342         0.153952      0.146734     -0.015195
     15.45781      7.46123      4.73124        -0.003635      0.029212      0.025814
     19.98823     10.95103     11.21997         0.022562     -0.026795     -0.038273
     18.95213      9.01856     10.26753         0.087384     -0.015159      0.201786
     16.37091     11.55012      8.01458         0.020034      0.006162     -0.075155
      1.42741     14.60256     12.31233        -0.042811      0.134648     -0.033834
     18.13402     15.03986     10.66613        -0.097510      0.008627      0.055358
     19.24540     16.96840     11.52403        -0.212633      0.190027     -0.153837
     19.02768      4.60476      5.37289         0.028402     -0.015644     -0.017124
     -0.05640      1.01858      8.13022        -0.133913      0.128698     -0.040180
     -0.28441      3.30435      9.04525        -0.161178      0.000800     -0.105761
     18.97849      6.37229      5.99016        -0.006686      0.025787      0.015315
     -0.50178      5.22828      9.75950        -0.056791      0.132678      0.009583
     -0.05808      7.59941     10.27129         0.176951     -0.025243     -0.018488
     18.29586     13.65895      4.84085        -0.185710     -0.026715     -0.026596
     18.62882     11.32360      5.28842        -0.239053     -0.108880     -0.174205
      0.68931     12.30316      7.82228        -0.046115     -0.034004     -0.124149
     17.62961     18.02636      3.93781         0.070584      0.079204     -0.004288
     20.00591     16.39775      7.89804         0.040403      0.039699     -0.057366
     19.17287     18.66988      7.89059         0.004999     -0.100207      0.136976
     13.96911     19.14031     10.71472        -0.020456     -0.070976     -0.027155
     19.53650      0.03754      3.45734        -0.045229      0.036597      0.050694
     12.96951      1.23826      2.66448        -0.005220      0.028938     -0.068308
     13.64125     11.39425      4.68315        -0.028824      0.050042      0.272949
      9.62693      2.56844      2.68956        -0.037695      0.072218     -0.005683
     10.37277     12.83644      5.14068         0.077628      0.035872     -0.091466
     10.39858      5.13021     16.18316         0.032639     -0.018854      0.151411
     10.90879     15.52475     17.89541         0.060937      0.054777      0.243102
      7.15549      6.40348     15.31123        -0.067578     -0.114640      0.049179
      7.20428     16.68878     17.98858        -0.048122     -0.074316     -0.115203
      6.77391      8.88074      7.71053         0.021241     -0.025542      0.024745
      7.61862     19.35608      9.26552         0.030524      0.046645      0.046053
      3.44618     10.26293      8.52387        -0.024308     -0.103256     -0.115902
      4.06589     20.51924     10.30762         0.009725     -0.223188      0.105739
      1.70881     12.08902      1.93180         0.014440     -0.141731      0.210907
      1.23461      1.60933      3.34048         0.116203     -0.007012      0.170702
      3.40627     12.89921     20.20175        -0.155703      0.113069     -0.179569
      4.31715      2.04735      1.73073        -0.089148      0.294374     -0.135899
     19.11336     15.42241     14.79567         0.056597      0.103375     -0.010155
     19.91519      4.56336     16.27147         0.002374     -0.046703      0.060982
      0.50178     17.07608     12.59419        -0.228386      0.043053     -0.035017
      1.85979      5.98844     14.27797        -0.062440     -0.018155     -0.013249
     17.62478     19.81421      5.96806        -0.071414     -0.183604     -0.013007
     17.06811      8.90749      8.35709         0.059348      0.119649      0.100129
     19.62284      0.67514      4.24848        -0.068411     -0.235932     -0.294928
     20.32245     10.21853      7.02509        -0.102246      0.062246     -0.141767
     12.56068      2.37111      4.70022         0.090594      0.026461      0.222380
     13.72351      0.97184      0.42619        -0.082930      0.166120      0.217800
     13.26607      9.57783      6.15758        -0.049744     -0.233960      0.469170
     14.04263     12.51750      2.63287        -0.046376      0.039788     -0.065098
      9.45936      4.39181      1.20216        -0.057900      0.135662     -0.208622
      9.70054      1.40725      4.73828        -0.026080     -0.497151      0.287180
     10.16920     11.87219      2.99036        -0.052370      0.011967     -0.291513
     10.25234     12.97897      7.50157        -0.023543     -0.374222     -0.535351
     10.41346      6.20294     18.30479         0.079736     -0.022774     -0.819765
     10.77561      4.86663     13.85884        -0.039809      0.559347      0.634534
     10.84933     13.82680     19.53267        -0.009493     -0.139761      0.449066
     11.01189     16.55182     15.78394        -0.003221      0.020769     -0.112045
      6.96763      8.19484     13.80766        -0.093856      0.154451     -0.139588
      7.24657      5.25512     17.38200        -0.151396      0.160868     -0.118073
      6.88499     15.82219     15.81753         0.052710     -0.064378      0.043970
      7.10143     16.74743     20.34711        -0.048944     -0.412396     -0.638455
      7.03515     10.03861      9.75821         0.026062     -0.039210      0.250732
      6.98374      8.58066      5.36471        -0.103386     -0.129112     -0.108668
      7.68878     17.65706     10.90852         0.132882     -0.197768      0.410320
      7.22090     20.38252      7.17751         0.092219      0.353326     -0.203190
      3.39504     11.97636      6.90433        -0.009227      0.006931     -0.241420
      3.86892      9.22987     10.63214        -0.018953      0.041778     -0.029413
      3.57619     19.48209      8.23779         0.209280     -0.055467      0.551592
      4.28025     20.72239     12.65521        -0.056637     -0.336877     -0.394937
      2.85021     13.09588      3.74692         0.312259     -0.013399      0.263875
     -0.06325     11.93727      0.35554        -0.271643     -0.290739     -0.420836
      2.40371      0.14967      4.82026         0.148845     -0.109903      0.281119
      0.12480      2.27963      1.36502        -0.077028      0.248612     -0.223752
      2.70569     14.72596     18.87136        -0.036900     -0.076492      0.139920
      4.81118     11.75586      0.45901         0.020928      0.056755      0.018518
      3.18172      1.27729     -0.20391        -0.040713     -0.093630     -0.217348
      5.70587      1.95029      3.63751         0.130310      0.073809      0.284420
     -0.64393     16.59076     16.19514         0.294067      0.004803      0.356194
     17.17617     15.08799     13.46996         0.245183      0.158666      0.085987
     -0.12921      2.81716     17.32614         0.105623      0.016606      0.257425
     18.42398      5.61613     14.76855         0.167898     -0.235730      0.162447
     20.82136     18.87185     11.39859        -0.229203      0.154926     -0.240626
      1.90076     15.92731     14.10669         0.005735      0.060631      0.021085
      0.34579      4.96145     12.78312         0.084737     -0.016753      0.016439
      3.55312      6.18694     15.91837         0.002050     -0.022330     -0.134470
     18.27823     20.68577      8.07957        -0.007753     -0.028802      0.131648
     16.34568     19.66311      3.96690         0.148063      0.097115      0.090792
     17.62724      7.25312      9.95945         0.077536     -0.171013      0.454382
     16.30982      9.83616      6.32223        -0.165743      0.273839     -0.077496
     18.69660      2.57344      3.24735        -0.199718      0.150085     -0.272041
     20.73046     20.46705      5.69174        -0.000515      0.060855     -0.007104
     18.94265      9.24143      5.35624         0.069288      0.070300     -0.071214
      0.43337     10.31630      8.93456         0.045685     -0.042918     -0.029200
     14.09108     17.26480      5.65427         0.022878      0.056956      0.046387
     16.06304     16.27747      5.69394        -0.152470     -0.099673     -0.003276
     14.71683     15.99123      4.01775        -0.045657     -0.046974      0.108497
     11.67623     15.24437     11.45114        -0.094699      0.101867      0.025308
     11.44537     14.32398      9.49160        -0.082402     -0.050144      0.033437
     13.15305     13.79692     10.79283        -0.020788     -0.004604      0.017816
     11.93391     18.07733      7.09233        -0.180119     -0.066661     -0.009800
      9.88322     18.53588      6.38791         0.139945     -0.099659      0.000583
     10.25854     16.87158      7.73427        -0.056518     -0.153335      0.022126
     13.75059     18.52630      0.26772        -0.039661     -0.008354      0.062496
     14.24051     16.99809      1.72429        -0.242780     -0.003523      0.061483
     12.27271     17.01405      0.72947         0.081071      0.110090     -0.010664
     11.48919      0.06504     18.24807         0.095888      0.038250      0.035309
     13.11229     -0.68337     19.55910        -0.136602      0.176496      0.017186
     12.89667     19.85585     17.51408        -0.047354     -0.060355      0.212228
      8.11089     19.33290      3.11007         0.153420      0.059414      0.051468
      7.68298     18.54145      1.13588         0.191234      0.238787      0.165472
      9.58689     18.07155      2.15909         0.002688     -0.127877      0.016930
      7.55674      0.86151     20.04474        -0.124489     -0.105175      0.136245
      6.00424      1.15809     18.50453         0.087632      0.046077      0.055832
      5.81057     20.85359     19.98751        -0.149193     -0.226526     -0.028378
     10.87588      1.28120     13.59291         0.115056     -0.269965      0.229882
     11.48412     -0.24178     15.05611        -0.137852     -0.093432     -0.097293
      9.49733     20.95760     14.07332         0.150872     -0.063191      0.005509
      9.06497      3.70507      9.54682        -0.005415     -0.100734      0.068058
     10.42821      2.97260     11.11932        -0.111115      0.037518      0.020029
     10.41364      2.04814      9.14976         0.009245     -0.105076     -0.050551
      6.06496      1.99964     16.17585        -0.000360      0.012998     -0.140709
      5.15760      1.21476     14.37707         0.151780      0.135079     -0.156675
      7.12082      0.51570     15.01604        -0.022384      0.211640     -0.245118
      4.29558      5.12492     11.90339         0.120525     -0.020600     -0.125645
      2.69435      3.66723     11.60045         0.102394      0.207189     -0.059143
      4.34137      3.25933     12.98701         0.035045      0.086465      0.001948
      7.38360      4.64714      5.49079        -0.109627      0.229407     -0.132008
      7.66669      3.04825      6.91791        -0.227148      0.242281     -0.068852
      5.64254      3.52142      6.10160         0.120932     -0.071897      0.078672
     -0.57116      7.24792      4.73657         0.123431     -0.162198      0.056813
      0.68557      7.16696      3.01406         0.241678      0.184450     -0.039481
     -1.14734      5.95202      3.10466         0.083307     -0.175209      0.006957
      2.84686      5.86633      9.91590        -0.259952      0.148653      0.126227
      1.58485      4.61344      8.68352         0.156862      0.086368     -0.215995
      3.71370      4.83185      8.23320         0.018265     -0.018265     -0.060388
      6.18131      6.78499      3.48243        -0.102291     -0.101975     -0.076161
      4.30054      7.63420      4.22917        -0.043025     -0.234242     -0.029550
      4.88375      5.65050      4.85907         0.036296      0.231897     -0.048209
     -0.37261      8.39784     21.13660        -0.223637      0.083695     -0.062922
      1.24729      7.15359     -0.89248        -0.118751      0.162778      0.228618
      0.06580      6.49363      0.79424         0.181634     -0.103138     -0.017036
     19.48336      9.64902     19.27626         0.052728      0.069547      0.095517
     19.48082     10.24631     17.15981        -0.042657     -0.039982      0.119717
     18.09918      8.71846     17.88472         0.094163      0.066373      0.024931
      4.82796      8.52800     20.01029        -0.140999     -0.234427     -0.242835
      3.58782      6.93927     19.24706        -0.016185      0.399058     -0.049918
      4.58043      8.28675     17.82995        -0.369295      0.042254      0.287945
      3.05126     11.75988     14.18021        -0.065376     -0.040588      0.082623
      2.67317     11.26107     16.28727         0.224574     -0.018807     -0.048148
      4.12265     10.12636     15.11299        -0.040929     -0.067725      0.022769
     17.15917     11.26745     13.69591         0.005604      0.109080      0.001792
     18.61172      9.95491     12.78356        -0.156856      0.080688      0.144103
     18.11275      9.75395     14.91484         0.082051      0.014632     -0.010739
     16.29079     14.27338      9.76645         0.126859      0.026983     -0.047513
     18.00682     14.85552      8.50281         0.084862     -0.017114      0.045668
     16.42560     13.66112      7.66762         0.031693     -0.100116     -0.153608
      1.91185     12.72125     12.15433         0.075494     -0.048505     -0.115988
      0.50045     11.19573     11.67223         0.018849      0.006050     -0.090924
      1.41963     12.38452     10.05765        -0.155235      0.074060      0.130108
      1.13704     15.86948      6.53786        -0.098638     -0.021931      0.038364
      0.42381     15.48632      8.59293         0.077892     -0.077946     -0.084381
      1.95144     14.22100      7.71128        -0.177359     -0.003914     -0.164896
     18.23409     16.54146      2.39923         0.146223      0.125774      0.033227
     19.59569     14.94325      3.00423        -0.063837      0.064857      0.173901
     17.44281     14.82717      3.47011         0.170406      0.185725      0.021041
 -----------------------------------------------------------------------------------
    total drift:                                0.002790     -0.000335     -0.003638


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4579.7201189983 eV

  energy  without entropy=    -4579.8740592817  energy(sigma->0) =    -4579.77143243
 
 d Force = 0.4824555E+00[ 0.182E+00, 0.782E+00]  d Energy = 0.4809602E+00 0.150E-02
 d Force = 0.6957017E+03[ 0.695E+03, 0.696E+03]  d Ewald  = 0.6957029E+03-0.125E-02


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.480960  1 .order   -0.482456   -0.782485   -0.182427
  (g-gl).g = 0.278E+01      g.g   = 0.281E+01  gl.gl    = 0.302E+01
 g(Force)  = 0.281E+01   g(Stress)= 0.000E+00 ortho     =-0.162E-01
 gamma     =   0.91937
 trial     =   0.27996
 opt step  =   0.36678  (harmonic =   0.36508) maximal distance =0.06659575
 next E    = -4579.748359   (d E  =  -0.50920)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   89(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3152
 total energy-change (2. order) : 0.1021249E+00  (-0.6429237E+01)
 number of electron    2497.9999944 magnetization 
 augmentation part      162.7412620 magnetization 

  free energy =  -0.457961798656E+04  energy without entropy=  -0.457977250922E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   89(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3512
 total energy-change (2. order) :-0.1318715E+00  (-0.1597154E+00)
 number of electron    2497.9999944 magnetization 
 augmentation part      162.7454869 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8710
  0.8710

  free energy =  -0.457974985804E+04  energy without entropy=  -0.457990383978E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   89(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3720
 total energy-change (2. order) : 0.3503276E-02  (-0.3082634E-02)
 number of electron    2497.9999944 magnetization 
 augmentation part      162.7371571 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4296
  1.0528  1.8064

  free energy =  -0.457974635476E+04  energy without entropy=  -0.457990074601E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   89(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3512
 total energy-change (2. order) :-0.1395156E-02  (-0.2507535E-02)
 number of electron    2497.9999944 magnetization 
 augmentation part      162.7354574 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2977
  2.2046  0.8443  0.8443

  free energy =  -0.457974774992E+04  energy without entropy=  -0.457990190422E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   89(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3688
 total energy-change (2. order) :-0.1157297E-03  (-0.4840152E-03)
 number of electron    2497.9999944 magnetization 
 augmentation part      162.7360948 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3249
  2.3983  1.0067  1.0067  0.8878

  free energy =  -0.457974786565E+04  energy without entropy=  -0.457990238750E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   89(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) : 0.1244869E-03  (-0.2286260E-03)
 number of electron    2497.9999944 magnetization 
 augmentation part      162.7350720 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2330
  2.4077  1.0621  1.0621  0.8165  0.8165

  free energy =  -0.457974774116E+04  energy without entropy=  -0.457990202347E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   89(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3512
 total energy-change (2. order) :-0.1313630E-05  (-0.4349067E-04)
 number of electron    2497.9999944 magnetization 
 augmentation part      162.7352638 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2306
  2.3943  0.9929  0.9929  1.1867  1.1867  0.6299

  free energy =  -0.457974774248E+04  energy without entropy=  -0.457990224094E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   89(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3512
 total energy-change (2. order) : 0.4945439E-05  (-0.7497629E-05)
 number of electron    2497.9999944 magnetization 
 augmentation part      162.7352638 magnetization 

  free energy =  -0.457974773753E+04  energy without entropy=  -0.457990217924E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.9980       2 -56.0957       3 -55.9831       4 -55.8042       5 -55.8180
       6 -56.2568       7 -58.0866       8 -58.2375       9 -56.2343      10 -55.9080
      11 -55.9908      12 -55.8002      13 -55.7613      14 -55.9145      15 -58.0451
      16 -58.1601      17 -56.3350      18 -55.0064      19 -54.9033      20 -55.0506
      21 -55.6411      22 -55.5739      23 -55.5732      24 -55.5826      25 -54.9966
      26 -54.7967      27 -54.9259      28 -54.9232      29 -60.3940      30 -60.3539
      31 -55.7235      32 -55.8354      33 -55.7293      34 -55.4839      35 -55.5510
      36 -56.0280      37 -57.8489      38 -57.9793      39 -56.1425      40 -55.8770
      41 -55.9954      42 -55.7254      43 -55.7677      44 -55.9437      45 -58.0609
      46 -58.2182      47 -56.4664      48 -55.1356      49 -54.9550      50 -55.3081
      51 -55.9058      52 -55.8282      53 -55.7372      54 -55.7285      55 -55.0442
      56 -54.8449      57 -54.9402      58 -56.3401      59 -60.3210      60 -60.6270
      61 -55.9375      62 -56.0512      63 -55.9104      64 -55.7543      65 -55.7320
      66 -56.1763      67 -57.9720      68 -58.1788      69 -56.1797      70 -55.8815
      71 -55.9623      72 -55.7118      73 -55.6738      74 -55.8823      75 -57.9952
      76 -58.0959      77 -56.2731      78 -55.0481      79 -54.8798      80 -55.1916
      81 -55.7672      82 -55.7696      83 -55.8605      84 -55.8752      85 -55.2820
      86 -55.0213      87 -55.1824      88 -56.3680      89 -60.6279      90 -60.3504
      91 -55.7878      92 -55.9035      93 -55.8034      94 -55.5753      95 -55.6341
      96 -56.1242      97 -57.9429      98 -58.0384      99 -56.2304     100 -55.9420
     101 -56.0770     102 -55.7412     103 -55.8028     104 -56.0155     105 -58.0865
     106 -58.2029     107 -56.4021     108 -55.1425     109 -54.9548     110 -55.3755
     111 -55.8749     112 -55.8170     113 -55.6879     114 -55.6480     115 -55.0009
     116 -54.7670     117 -54.9193     118 -56.2389     119 -60.3436     120 -60.5877
     121 -55.9621     122 -55.9911     123 -55.8793     124 -55.7760     125 -55.7909
     126 -56.1979     127 -58.1287     128 -58.1880     129 -56.1687     130 -55.8095
     131 -55.9082     132 -55.7322     133 -55.6662     134 -55.8244     135 -57.9391
     136 -58.0530     137 -56.3083     138 -55.0405     139 -54.9175     140 -55.3065
     141 -55.8231     142 -55.7474     143 -55.8165     144 -55.8117     145 -55.1806
     146 -55.0706     147 -55.2221     148 -56.3541     149 -60.4473     150 -60.5035
     151 -55.6398     152 -55.7556     153 -55.6053     154 -55.4339     155 -55.4693
     156 -55.9186     157 -57.8804     158 -57.9546     159 -56.0114     160 -55.7695
     161 -55.9429     162 -55.5535     163 -55.5753     164 -55.8022     165 -57.9453
     166 -58.0785     167 -56.3726     168 -55.0467     169 -54.8589     170 -55.1976
     171 -55.8446     172 -55.8631     173 -55.8816     174 -55.8174     175 -55.2677
     176 -55.0853     177 -55.1428     178 -56.5060     179 -60.4895     180 -60.5790
     181 -55.7852     182 -56.0363     183 -55.8968     184 -55.5637     185 -55.5970
     186 -56.1499     187 -57.9170     188 -58.2099     189 -56.1986     190 -55.8401
     191 -56.0044     192 -55.6962     193 -55.6775     194 -55.8826     195 -57.9807
     196 -58.1764     197 -56.5030     198 -55.0662     199 -54.9846     200 -55.3175
     201 -55.8367     202 -55.8434     203 -55.8769     204 -55.8168     205 -55.0924
     206 -55.2045     207 -55.1730     208 -56.4392     209 -60.6237     210 -60.4876
     211 -55.9892     212 -56.0350     213 -55.9054     214 -55.8212     215 -55.7832
     216 -56.2634     217 -58.1374     218 -58.1601     219 -56.1517     220 -55.8214
     221 -55.9349     222 -55.5890     223 -55.5276     224 -55.7982     225 -57.9717
     226 -58.1482     227 -56.4396     228 -54.9971     229 -54.9277     230 -55.1950
     231 -55.7553     232 -55.7480     233 -55.7033     234 -55.7125     235 -55.0360
     236 -55.0941     237 -55.1814     238 -56.4288     239 -60.3234     240 -60.4213
     241 -55.9754     242 -56.0334     243 -55.9361     244 -55.7672     245 -55.7728
     246 -56.2215     247 -58.0676     248 -58.1867     249 -56.2041     250 -55.8761
     251 -55.9781     252 -55.7523     253 -55.7520     254 -55.9256     255 -57.9958
     256 -58.1118     257 -56.3329     258 -55.0719     259 -54.9139     260 -55.2357
     261 -55.7769     262 -55.7424     263 -55.8161     264 -55.8778     265 -55.2083
     266 -54.9841     267 -55.1836     268 -56.3718     269 -60.5654     270 -60.4117
     271 -55.8560     272 -55.9236     273 -55.7932     274 -55.6702     275 -55.6209
     276 -56.0142     277 -58.0198     278 -58.1021     279 -55.9133     280 -55.6714
     281 -55.7743     282 -55.5023     283 -55.5143     284 -55.7543     285 -57.9838
     286 -57.9857     287 -56.3288     288 -55.0254     289 -54.8965     290 -55.2429
     291 -55.8456     292 -55.8052     293 -55.8578     294 -55.8568     295 -55.2042
     296 -55.0068     297 -55.0451     298 -56.4021     299 -60.5128     300 -60.5530
     301 -55.8617     302 -56.0204     303 -55.9340     304 -55.6464     305 -55.6853
     306 -56.2001     307 -58.0244     308 -58.2362     309 -56.2327     310 -55.9267
     311 -56.0068     312 -55.7057     313 -55.6945     314 -55.8761     315 -57.9627
     316 -58.1493     317 -56.3833     318 -55.0307     319 -54.8886     320 -55.2676
     321 -55.7801     322 -55.7355     323 -55.8469     324 -55.8468     325 -55.1716
     326 -55.0841     327 -55.2036     328 -56.3801     329 -60.5152     330 -60.4545
     331 -55.6918     332 -55.7087     333 -55.6026     334 -55.5426     335 -55.5152
     336 -55.9373     337 -57.8995     338 -57.9016     339 -55.8543     340 -55.5941
     341 -55.7120     342 -55.4396     343 -55.4584     344 -55.7045     345 -57.8774
     346 -57.9161     347 -56.4275     348 -54.9893     349 -54.9835     350 -55.2795
     351 -55.7676     352 -55.7083     353 -55.6963     354 -55.7203     355 -55.1572
     356 -54.9864     357 -55.0240     358 -56.4045     359 -60.4565     360 -60.4997
     361 -39.0251     362 -38.7628     363 -38.9129     364 -39.0068     365 -38.9199
     366 -38.7222     367 -38.1820     368 -38.1281     369 -38.0045     370 -38.1274
     371 -38.1278     372 -38.1967     373 -38.6920     374 -38.4057     375 -38.7154
     376 -38.8615     377 -38.8285     378 -38.7503     379 -38.1845     380 -38.2039
     381 -38.2466     382 -37.9672     383 -38.2146     384 -37.9924     385 -38.9226
     386 -38.7743     387 -38.8832     388 -38.9153     389 -38.8665     390 -38.6472
     391 -38.2260     392 -38.3184     393 -38.1892     394 -38.2531     395 -38.1879
     396 -38.3059     397 -38.7564     398 -38.4824     399 -38.8301     400 -38.9059
     401 -38.8291     402 -38.7753     403 -38.2060     404 -38.1816     405 -38.4299
     406 -38.0205     407 -38.1071     408 -37.8827     409 -38.7848     410 -38.7884
     411 -38.9481     412 -38.7586     413 -38.9274     414 -38.7086     415 -38.2734
     416 -38.2762     417 -38.3144     418 -38.1992     419 -38.2461     420 -38.2955
     421 -38.6311     422 -38.3573     423 -38.6009     424 -38.7365     425 -38.6006
     426 -38.5484     427 -38.2545     428 -38.0767     429 -38.2432     430 -38.2213
     431 -38.1464     432 -38.0438     433 -38.7544     434 -38.5874     435 -38.8374
     436 -38.7376     437 -38.9192     438 -38.6781     439 -38.2595     440 -38.0908
     441 -38.1484     442 -38.0932     443 -38.1903     444 -38.0971     445 -38.8885
     446 -38.8500     447 -38.9299     448 -38.7622     449 -38.8067     450 -38.4246
     451 -38.0192     452 -37.9862     453 -38.1478     454 -38.0201     455 -38.1808
     456 -38.2041     457 -38.9102     458 -38.7101     459 -38.8981     460 -38.8714
     461 -38.9016     462 -38.7120     463 -38.1547     464 -38.2687     465 -38.2601
     466 -38.3714     467 -38.1910     468 -38.4005     469 -38.8228     470 -38.6781
     471 -38.7293     472 -38.7442     473 -38.6060     474 -38.4994     475 -38.3216
     476 -38.1447     477 -38.1832     478 -38.1409     479 -38.1830     480 -38.0362
     481 -38.8814     482 -38.7238     483 -38.9297     484 -38.8540     485 -38.9409
     486 -38.7509     487 -38.1033     488 -38.1960     489 -38.2721     490 -38.2584
     491 -38.2178     492 -38.4328     493 -38.7888     494 -38.4635     495 -38.5457
     496 -38.7557     497 -38.4475     498 -38.4472     499 -38.1766     500 -38.0317
     501 -38.2233     502 -38.1151     503 -38.0893     504 -38.0176     505 -38.1840
     506 -40.9995     507 -71.6690     508 -71.5914     509 -71.3365     510 -71.6230
     511 -71.6011     512 -71.4725     513 -71.4545     514 -71.5592     515 -71.6071
     516 -71.3843     517 -71.4180     518 -71.5316     519 -71.4696     520 -71.5009
     521 -71.5585     522 -71.4985     523 -71.5984     524 -71.4967     525 -71.5367
     526 -71.4637     527 -71.6149     528 -71.4679     529 -71.1372     530 -71.4934
     531 -76.9162     532 -76.7342     533 -76.9033     534 -76.7244     535 -76.6295
     536 -76.5679     537 -76.9215     538 -76.6755     539 -76.7823     540 -76.5665
     541 -76.8167     542 -76.6694     543 -76.6673     544 -76.6619     545 -76.8683
     546 -76.6717     547 -76.8609     548 -76.8354     549 -76.7798     550 -76.6593
     551 -76.6258     552 -76.5714     553 -76.6441     554 -76.6130     555 -76.8599
     556 -76.6720     557 -76.8776     558 -76.6808     559 -76.8001     560 -76.8253
     561 -76.8184     562 -76.6833     563 -76.8821     564 -76.6902     565 -76.8135
     566 -76.6162     567 -76.8135     568 -76.6798     569 -76.6383     570 -76.6950
     571 -76.9020     572 -76.7281     573 -76.8850     574 -76.6662     575 -76.5924
     576 -76.5554     577 -76.5793     578 -76.4758     579 -82.3306     580 -82.1992
     581 -82.2253     582 -82.3940     583 -82.3081     584 -82.2618     585 -82.4232
     586 -82.4856     587 -82.6119     588 -82.1948     589 -82.0787     590 -82.2195
     591 -82.3174     592 -82.1991     593 -82.1883     594 -82.6369     595 -82.3931
     596 -82.5813     597 -82.4088     598 -82.4679     599 -82.6237     600 -82.1562
     601 -82.2086     602 -82.2717     603 -82.3732     604 -82.3345     605 -82.4686
     606 -82.2907     607 -82.2277     608 -82.3363     609 -82.6985     610 -82.2501
     611 -82.3739     612 -82.5088     613 -82.2538     614 -82.3033     615 -82.4864
     616 -82.4976     617 -82.3983     618 -82.5899     619 -82.5630     620 -82.6215
     621 -82.1759     622 -82.4178     623 -82.2775     624 -82.2887     625 -82.2165
     626 -82.1591     627 -82.3089     628 -82.2709     629 -82.2746     630 -82.3484
     631 -82.5002     632 -82.2762     633 -82.4330     634 -82.4003     635 -82.5418
     636 -82.3998     637 -82.3839     638 -82.2758     639 -82.2505     640 -82.4475
     641 -82.4362     642 -82.3591     643 -82.4984     644 -82.3036     645 -82.4094
     646 -82.3274     647 -82.4494     648 -82.3728     649 -82.3772     650 -82.2163
 
 
 
 E-fermi :  -1.4842     XC(G=0):  -6.5396     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
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      2     -28.9303      2.00000
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     21     -28.5783      2.00000
     22     -28.5236      2.00000
     23     -28.4738      2.00000
     24     -28.4525      2.00000
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     29     -26.5942      2.00000
     30     -26.5906      2.00000
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   1129      -3.1947      2.00000
   1130      -3.1584      2.00000
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   1133      -3.1337      2.00000
   1134      -3.1260      2.00000
   1135      -3.1146      2.00000
   1136      -3.1049      2.00000
   1137      -3.1004      2.00000
   1138      -3.0788      2.00000
   1139      -3.0669      2.00000
   1140      -3.0573      2.00000
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   1153      -2.9733      2.00000
   1154      -2.9692      2.00000
   1155      -2.9636      2.00000
   1156      -2.9442      2.00000
   1157      -2.9428      2.00000
   1158      -2.9412      2.00000
   1159      -2.9325      2.00000
   1160      -2.9162      2.00000
   1161      -2.9115      2.00000
   1162      -2.9040      2.00000
   1163      -2.8881      2.00000
   1164      -2.8791      2.00000
   1165      -2.8709      2.00000
   1166      -2.8526      2.00000
   1167      -2.8340      2.00000
   1168      -2.8098      2.00000
   1169      -2.7794      2.00000
   1170      -2.7747      2.00000
   1171      -2.7699      2.00000
   1172      -2.7542      2.00000
   1173      -2.7187      2.00000
   1174      -2.7059      2.00000
   1175      -2.6873      2.00000
   1176      -2.6691      2.00000
   1177      -2.6557      2.00000
   1178      -2.6406      2.00000
   1179      -2.6350      2.00000
   1180      -2.6280      2.00000
   1181      -2.6133      2.00000
   1182      -2.6119      2.00000
   1183      -2.6033      2.00000
   1184      -2.5900      2.00000
   1185      -2.5818      2.00000
   1186      -2.5673      2.00000
   1187      -2.5567      2.00000
   1188      -2.5500      2.00000
   1189      -2.5452      2.00000
   1190      -2.5332      2.00000
   1191      -2.5285      2.00000
   1192      -2.5263      2.00000
   1193      -2.5180      2.00000
   1194      -2.5154      2.00000
   1195      -2.5019      2.00000
   1196      -2.4954      2.00000
   1197      -2.4922      2.00000
   1198      -2.4864      2.00000
   1199      -2.4814      2.00000
   1200      -2.4685      2.00000
   1201      -2.4653      2.00000
   1202      -2.4575      2.00000
   1203      -2.4524      2.00000
   1204      -2.4408      2.00000
   1205      -2.4360      2.00000
   1206      -2.4347      2.00000
   1207      -2.4302      2.00000
   1208      -2.4293      2.00000
   1209      -2.4244      2.00000
   1210      -2.4236      2.00000
   1211      -2.4201      2.00000
   1212      -2.4183      2.00000
   1213      -2.4143      2.00000
   1214      -2.4041      2.00000
   1215      -2.3989      2.00000
   1216      -2.3970      2.00000
   1217      -2.3887      2.00000
   1218      -2.3818      2.00000
   1219      -2.3796      2.00000
   1220      -2.3710      2.00000
   1221      -2.3686      2.00000
   1222      -2.3584      2.00000
   1223      -2.3542      2.00000
   1224      -2.3520      2.00000
   1225      -2.3443      2.00000
   1226      -2.3246      2.00000
   1227      -2.3166      2.00000
   1228      -2.2992      2.00000
   1229      -2.2943      2.00000
   1230      -2.2736      2.00000
   1231      -2.2694      2.00000
   1232      -2.2616      2.00000
   1233      -2.2508      2.00000
   1234      -2.2401      2.00000
   1235      -2.2365      2.00000
   1236      -2.2155      2.00000
   1237      -2.2051      2.00000
   1238      -1.7940      2.05084
   1239      -1.7560      2.06629
   1240      -1.7509      2.06776
   1241      -1.7375      2.07040
   1242      -1.7154      2.06932
   1243      -1.6989      2.06237
   1244      -1.6648      2.02381
   1245      -1.6470      1.98712
   1246      -1.6345      1.95323
   1247      -1.6307      1.94157
   1248      -1.6184      1.89890
   1249      -1.5974      1.80838
   1250       0.1583     -0.00000
   1251       0.1702     -0.00000
   1252       0.1948     -0.00000
   1253       0.2449     -0.00000
   1254       0.2476     -0.00000
   1255       0.2752     -0.00000
   1256       0.3134     -0.00000
   1257       0.3221     -0.00000
   1258       0.3300     -0.00000
   1259       0.3543     -0.00000
   1260       0.3843     -0.00000
   1261       0.4175     -0.00000
   1262       0.6194     -0.00000
   1263       0.6226     -0.00000
   1264       0.6634     -0.00000
   1265       0.6926     -0.00000
   1266       0.7363     -0.00000
   1267       0.7435     -0.00000
   1268       0.7755     -0.00000
   1269       0.7853     -0.00000
   1270       0.7971     -0.00000
   1271       0.8020     -0.00000
   1272       0.8361     -0.00000
   1273       0.8703     -0.00000
   1274       0.9014     -0.00000
   1275       0.9078     -0.00000
   1276       0.9146     -0.00000
   1277       0.9287     -0.00000
   1278       0.9661     -0.00000
   1279       0.9966     -0.00000
   1280       1.0014     -0.00000
   1281       1.0229     -0.00000
   1282       1.0586     -0.00000
   1283       1.0987     -0.00000
   1284       1.1238     -0.00000
   1285       1.2466     -0.00000
   1286       1.2697     -0.00000
   1287       1.2817     -0.00000
   1288       1.3348     -0.00000
   1289       1.4105     -0.00000
   1290       1.4260     -0.00000
   1291       1.4592     -0.00000
   1292       1.5122     -0.00000
   1293       1.5377     -0.00000
   1294       1.5762     -0.00000
   1295       1.6093     -0.00000
   1296       1.6180     -0.00000
   1297       1.6815     -0.00000
   1298       1.8383     -0.00000
   1299       1.8716     -0.00000
   1300       1.8894     -0.00000
   1301       1.9046     -0.00000
   1302       1.9302     -0.00000
   1303       1.9621     -0.00000
   1304       1.9963     -0.00000
   1305       2.0204     -0.00000
   1306       2.0323     -0.00000
   1307       2.0504     -0.00000
   1308       2.0576     -0.00000
   1309       2.1237     -0.00000
   1310       2.1272     -0.00000
   1311       2.1415     -0.00000
   1312       2.1564     -0.00000
   1313       2.1664     -0.00000
   1314       2.1942     -0.00000
   1315       2.2096     -0.00000
   1316       2.2194     -0.00000
   1317       2.2419     -0.00000
   1318       2.2612     -0.00000
   1319       2.2662     -0.00000
   1320       2.2846     -0.00000
   1321       2.3356     -0.00000
   1322       2.4288     -0.00000
   1323       2.4435     -0.00000
   1324       2.4471     -0.00000
   1325       2.4714     -0.00000
   1326       2.5006     -0.00000
   1327       2.5120     -0.00000
   1328       2.5367     -0.00000
   1329       2.5425     -0.00000
   1330       2.5488     -0.00000
   1331       2.5572     -0.00000
   1332       2.5703     -0.00000
   1333       2.5853     -0.00000
   1334       2.5974     -0.00000
   1335       2.6062     -0.00000
   1336       2.6321     -0.00000
   1337       2.6380     -0.00000
   1338       2.6408     -0.00000
   1339       2.6694     -0.00000
   1340       2.6768     -0.00000
   1341       2.6979     -0.00000
   1342       2.7060     -0.00000
   1343       2.7230     -0.00000
   1344       2.7733     -0.00000
   1345       2.8173     -0.00000
   1346       2.9720     -0.00000
   1347       2.9770     -0.00000
   1348       3.0248     -0.00000
   1349       3.0324     -0.00000
   1350       3.0454     -0.00000
   1351       3.0594     -0.00000
   1352       3.0635     -0.00000
   1353       3.0922     -0.00000
   1354       3.0964     -0.00000
   1355       3.1210     -0.00000
   1356       3.1531     -0.00000
   1357       3.1643     -0.00000
   1358       3.1682     -0.00000
   1359       3.1766     -0.00000
   1360       3.2276     -0.00000
   1361       3.2358     -0.00000
   1362       3.2756     -0.00000
   1363       3.4058     -0.00000
   1364       3.5140     -0.00000
   1365       3.5256     -0.00000
   1366       3.5847     -0.00000
   1367       3.6341     -0.00000
   1368       3.6805     -0.00000
   1369       3.7003     -0.00000
   1370       3.7562     -0.00000
   1371       3.7754     -0.00000
   1372       3.8038     -0.00000
   1373       3.8445      0.00000
   1374       3.8577      0.00000
   1375       3.8716      0.00000
   1376       3.8925      0.00000
   1377       3.9050      0.00000
   1378       3.9232      0.00000
   1379       3.9319      0.00000
   1380       3.9349      0.00000
   1381       3.9510      0.00000
   1382       3.9614      0.00000
   1383       3.9652      0.00000
   1384       3.9861      0.00000
   1385       3.9992      0.00000
   1386       4.0117      0.00000
   1387       4.0264      0.00000
   1388       4.0303      0.00000
   1389       4.0410      0.00000
   1390       4.0547      0.00000
   1391       4.0645      0.00000
   1392       4.0884      0.00000
   1393       4.0946      0.00000
   1394       4.1050      0.00000
   1395       4.1200      0.00000
   1396       4.1334      0.00000
   1397       4.1466      0.00000
   1398       4.1594      0.00000
   1399       4.1731      0.00000
   1400       4.1886      0.00000
   1401       4.1934      0.00000
   1402       4.2033      0.00000
   1403       4.2107      0.00000
   1404       4.2233      0.00000
   1405       4.2406      0.00000
   1406       4.2529      0.00000
   1407       4.2626      0.00000
   1408       4.2975      0.00000
   1409       4.3004      0.00000
   1410       4.3207      0.00000
   1411       4.3359      0.00000
   1412       4.3451      0.00000
   1413       4.3552      0.00000
   1414       4.3687      0.00000
   1415       4.3819      0.00000
   1416       4.3930      0.00000
   1417       4.4104      0.00000
   1418       4.4201      0.00000
   1419       4.4314      0.00000
   1420       4.4377      0.00000
   1421       4.4414      0.00000
   1422       4.4596      0.00000
   1423       4.4829      0.00000
   1424       4.4958      0.00000
   1425       4.5091      0.00000
   1426       4.5120      0.00000
   1427       4.5358      0.00000
   1428       4.5539      0.00000
   1429       4.5832      0.00000
   1430       4.6040      0.00000
   1431       4.6223      0.00000
   1432       4.6372      0.00000
   1433       4.6679      0.00000
   1434       4.6936      0.00000
   1435       4.7201      0.00000
   1436       4.7676      0.00000
   1437       4.7708      0.00000
   1438       4.7829      0.00000
   1439       4.8123      0.00000
   1440       4.8351      0.00000
   1441       4.8541      0.00000
   1442       4.8640      0.00000
   1443       4.9025      0.00000
   1444       4.9132      0.00000
   1445       4.9286      0.00000
   1446       4.9399      0.00000
   1447       4.9442      0.00000
   1448       4.9716      0.00000
   1449       4.9946      0.00000
   1450       5.0060      0.00000
   1451       5.0427      0.00000
   1452       5.0453      0.00000
   1453       5.0564      0.00000
   1454       5.0766      0.00000
   1455       5.0841      0.00000
   1456       5.1018      0.00000
   1457       5.1413      0.00000
   1458       5.1500      0.00000
   1459       5.1510      0.00000
   1460       5.1719      0.00000
   1461       5.1884      0.00000
   1462       5.1983      0.00000
   1463       5.2229      0.00000
   1464       5.2377      0.00000
   1465       5.2449      0.00000
   1466       5.2498      0.00000
   1467       5.2567      0.00000
   1468       5.2640      0.00000
   1469       5.2793      0.00000
   1470       5.2999      0.00000
   1471       5.3046      0.00000
   1472       5.3221      0.00000
   1473       5.3277      0.00000
   1474       5.3430      0.00000
   1475       5.3489      0.00000
   1476       5.3556      0.00000
   1477       5.3704      0.00000
   1478       5.3728      0.00000
   1479       5.3824      0.00000
   1480       5.3882      0.00000
   1481       5.4015      0.00000
   1482       5.4132      0.00000
   1483       5.4164      0.00000
   1484       5.4222      0.00000
   1485       5.4331      0.00000
   1486       5.4413      0.00000
   1487       5.4454      0.00000
   1488       5.4554      0.00000
   1489       5.4747      0.00000
   1490       5.4836      0.00000
   1491       5.4900      0.00000
   1492       5.5051      0.00000
   1493       5.5060      0.00000
   1494       5.5098      0.00000
   1495       5.5193      0.00000
   1496       5.5275      0.00000
   1497       5.5323      0.00000
   1498       5.5429      0.00000
   1499       5.5521      0.00000
   1500       5.5610      0.00000
   1501       5.5655      0.00000
   1502       5.5777      0.00000
   1503       5.5816      0.00000
   1504       5.5946      0.00000
   1505       5.5984      0.00000
   1506       5.6117      0.00000
   1507       5.6172      0.00000
   1508       5.6256      0.00000
   1509       5.6351      0.00000
   1510       5.6499      0.00000
   1511       5.6612      0.00000
   1512       5.6661      0.00000
   1513       5.6675      0.00000
   1514       5.6776      0.00000
   1515       5.6978      0.00000
   1516       5.7181      0.00000
   1517       5.7212      0.00000
   1518       5.7253      0.00000
   1519       5.7289      0.00000
   1520       5.7360      0.00000
   1521       5.7495      0.00000
   1522       5.7564      0.00000
   1523       5.7568      0.00000
   1524       5.7729      0.00000
   1525       5.7798      0.00000
   1526       5.7966      0.00000
   1527       5.8014      0.00000
   1528       5.8196      0.00000
   1529       5.8292      0.00000
   1530       5.8381      0.00000
   1531       5.8417      0.00000
   1532       5.8545      0.00000
   1533       5.8634      0.00000
   1534       5.8695      0.00000
   1535       5.8780      0.00000
   1536       5.8901      0.00000
   1537       5.8960      0.00000
   1538       5.9040      0.00000
   1539       5.9194      0.00000
   1540       5.9254      0.00000
   1541       5.9436      0.00000
   1542       5.9509      0.00000
   1543       5.9578      0.00000
   1544       5.9676      0.00000
   1545       5.9730      0.00000
   1546       5.9871      0.00000
   1547       5.9890      0.00000
   1548       6.0033      0.00000
   1549       6.0184      0.00000
   1550       6.0245      0.00000
   1551       6.0299      0.00000
   1552       6.0364      0.00000
   1553       6.0421      0.00000
   1554       6.0612      0.00000
   1555       6.0749      0.00000
   1556       6.0780      0.00000
   1557       6.0797      0.00000
   1558       6.0924      0.00000
   1559       6.1012      0.00000
   1560       6.1045      0.00000
   1561       6.1094      0.00000
   1562       6.1256      0.00000
   1563       6.1330      0.00000
   1564       6.1427      0.00000
   1565       6.1508      0.00000
   1566       6.1544      0.00000
   1567       6.1767      0.00000
   1568       6.1776      0.00000
   1569       6.1876      0.00000
   1570       6.1995      0.00000
   1571       6.2109      0.00000
   1572       6.2156      0.00000
   1573       6.2208      0.00000
   1574       6.2306      0.00000
   1575       6.2399      0.00000
   1576       6.2503      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.086  13.410  -0.001   0.001  -0.000   0.001  -0.004   0.000
 13.410  17.827  -0.001   0.002  -0.000   0.002  -0.006   0.001
 -0.001  -0.001  -4.230   0.003   0.000   8.274  -0.004  -0.001
  0.001   0.002   0.003  -4.231   0.001  -0.004   8.274  -0.001
 -0.000  -0.000   0.000   0.001  -4.223  -0.001  -0.001   8.264
  0.001   0.002   8.274  -0.004  -0.001 -18.311   0.007   0.001
 -0.004  -0.006  -0.004   8.274  -0.001   0.007 -18.308   0.000
  0.000   0.001  -0.001  -0.001   8.264   0.001   0.000 -18.301
 total augmentation occupancy for first ion, spin component:           1
  8.538  -3.855   0.181   0.138  -0.051   0.023   0.026  -0.008
 -3.855   1.813  -0.093  -0.093   0.029  -0.010  -0.015   0.005
  0.181  -0.093   1.785  -0.058  -0.031   0.169  -0.011  -0.005
  0.138  -0.093  -0.058   1.912  -0.104  -0.011   0.179  -0.014
 -0.051   0.029  -0.031  -0.104   1.233  -0.006  -0.014   0.082
  0.023  -0.010   0.169  -0.011  -0.006   0.018  -0.002  -0.001
  0.026  -0.015  -0.011   0.179  -0.014  -0.002   0.018  -0.002
 -0.008   0.005  -0.005  -0.014   0.082  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -48446.84267 81697.74519 17754.35379 -9012.29211  6102.30522 17207.94198
  Hartree  7329.38614108669.98208 55540.01764 -9420.41938  4100.32593 11424.98097
  E(xc)  -10737.48493-10589.77015-10631.88840     2.55913     8.23879    33.88805
  Local    7692.40707************************ 18426.24148-10227.78973-28007.01722
  n-local -5844.57489 -5986.08708 -6041.54844     7.06851    17.14549   -68.07402
  augment  1492.49991  1535.05114  1487.01960     4.53524    12.40497    -4.49725
  Kinetic 45476.42301 43286.54927 43677.03196   -33.26143   -66.74053  -591.62699
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -130.3276472   -371.5128888   -140.3499133    -25.5685558    -54.1098605     -4.4044727
  in kB      -21.7331784    -61.9527479    -23.4044715     -4.2637613     -9.0232524     -0.7344811
  external PRESSURE =     -35.6967993 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.212E+03 -.103E+03 0.233E+03   0.212E+03 0.103E+03 -.234E+03   -.810E-01 -.568E+00 0.137E+01   0.197E-02 0.456E-03 -.943E-03
   -.169E+03 -.129E+03 0.517E+02   0.169E+03 0.130E+03 -.512E+02   0.187E+00 -.125E+01 -.294E+00   0.776E-03 0.897E-03 0.483E-03
   -.135E+03 -.120E+03 0.513E+01   0.135E+03 0.121E+03 -.354E+01   0.375E+00 -.130E+01 -.155E+01   0.424E-03 0.162E-03 0.592E-03
   -.200E+03 -.893E+02 0.323E+03   0.201E+03 0.892E+02 -.325E+03   -.352E+00 0.147E+00 0.243E+01   0.284E-02 0.232E-04 -.151E-02
   -.154E+03 -.141E+03 0.290E+03   0.154E+03 0.142E+03 -.291E+03   -.504E-02 -.699E+00 0.117E+01   0.264E-02 0.288E-03 -.115E-02
   -.125E+03 -.107E+03 0.167E+03   0.125E+03 0.107E+03 -.167E+03   0.117E+00 -.197E+00 0.357E+00   0.131E-02 0.166E-03 0.931E-04
   -.214E+03 -.124E+03 0.161E+03   0.214E+03 0.128E+03 -.162E+03   0.421E+00 -.437E+01 0.921E+00   0.182E-02 0.109E-02 -.141E-02
   -.167E+03 -.101E+03 0.310E+02   0.168E+03 0.105E+03 -.334E+02   -.462E+00 -.414E+01 0.208E+01   -.571E-04 0.139E-02 0.119E-02
   -.871E+02 0.325E+01 0.196E+03   0.870E+02 -.324E+01 -.196E+03   0.112E+00 -.626E-01 0.313E+00   0.732E-03 0.413E-03 -.313E-04
   -.696E+02 0.893E+02 0.598E+02   0.693E+02 -.910E+02 -.587E+02   0.418E+00 0.166E+01 -.101E+01   0.714E-04 -.353E-04 0.713E-03
   -.720E+02 0.102E+03 0.125E+03   0.718E+02 -.103E+03 -.125E+03   0.239E+00 0.112E+01 0.637E-01   0.147E-03 -.179E-03 0.193E-03
   -.883E+02 -.718E+01 0.326E+03   0.884E+02 0.687E+01 -.327E+03   -.171E+00 0.129E+00 0.119E+01   0.896E-03 0.986E-03 -.117E-02
   -.953E+02 -.510E+02 0.353E+03   0.956E+02 0.521E+02 -.355E+03   -.258E+00 -.113E+01 0.218E+01   0.721E-03 0.124E-02 -.138E-02
   -.920E+02 0.135E+02 0.289E+03   0.921E+02 -.134E+02 -.290E+03   0.605E-01 0.114E-01 0.150E+01   0.595E-03 0.641E-03 -.126E-02
   -.871E+02 0.921E+02 0.254E+03   0.864E+02 -.960E+02 -.256E+03   0.635E+00 0.376E+01 0.255E+01   0.162E-02 0.216E-02 -.219E-02
   -.657E+02 0.107E+03 0.969E+02   0.656E+02 -.110E+03 -.101E+03   0.146E+00 0.295E+01 0.355E+01   0.412E-03 -.305E-03 0.421E-04
   -.520E+02 0.925E+02 0.409E+02   0.526E+02 -.879E+02 -.365E+02   -.564E+00 -.455E+01 -.436E+01   0.898E-03 -.163E-02 -.221E-03
   0.139E+02 0.196E+03 -.156E+03   -.144E+02 -.197E+03 0.158E+03   0.616E+00 0.178E+01 -.223E+01   0.336E-04 -.264E-02 0.226E-02
   0.387E+02 0.153E+03 -.200E+03   -.390E+02 -.153E+03 0.202E+03   0.373E+00 0.143E+00 -.202E+01   -.413E-03 -.240E-02 0.285E-02
   -.578E+02 0.898E+02 0.173E+03   0.589E+02 -.888E+02 -.176E+03   -.107E+01 -.975E+00 0.332E+01   0.159E-02 -.995E-03 -.105E-02
   0.103E+02 0.537E+02 0.475E+01   -.114E+02 -.552E+02 -.353E+01   0.112E+01 0.143E+01 -.146E+01   0.118E-02 -.115E-02 -.441E-03
   0.289E+02 0.106E+02 -.119E+03   -.289E+02 -.108E+02 0.120E+03   0.543E-01 0.241E+00 -.948E+00   0.380E-03 -.685E-03 0.189E-02
   -.378E+01 -.443E+02 -.164E+03   0.431E+01 0.445E+02 0.164E+03   -.480E+00 -.177E+00 0.508E+00   0.307E-03 -.113E-02 0.252E-02
   -.209E+02 -.817E+02 -.217E+03   0.220E+02 0.835E+02 0.216E+03   -.991E+00 -.169E+01 0.102E+01   -.110E-02 -.120E-02 0.262E-02
   0.538E+00 -.164E+03 -.319E+03   -.112E+01 0.165E+03 0.321E+03   0.548E+00 -.736E+00 -.176E+01   -.768E-03 -.131E-02 0.160E-02
   -.855E+02 -.160E+03 -.146E+03   0.867E+02 0.160E+03 0.145E+03   -.129E+01 -.111E+00 0.149E+01   0.184E-02 -.352E-03 0.279E-02
   -.821E+02 -.269E+03 -.177E+03   0.827E+02 0.269E+03 0.177E+03   -.534E+00 -.889E+00 0.424E+00   0.202E-02 -.766E-03 0.271E-02
   -.282E+02 -.261E+03 -.270E+03   0.281E+02 0.262E+03 0.271E+03   0.535E-01 -.115E+01 -.291E+00   0.127E-02 -.109E-02 0.143E-02
   -.399E+02 -.262E+02 -.210E+03   0.459E+02 0.341E+02 0.205E+03   -.593E+01 -.783E+01 0.476E+01   -.103E-02 -.916E-03 0.194E-02
   -.198E+01 0.493E+02 0.161E+02   -.225E+01 -.579E+02 -.110E+02   0.430E+01 0.852E+01 -.517E+01   0.970E-03 -.354E-03 -.130E-02
   -.160E+03 -.154E+02 -.544E+02   0.160E+03 0.153E+02 0.560E+02   -.101E+00 -.581E-01 -.147E+01   -.163E-02 -.656E-03 0.159E-02
   -.100E+03 -.136E+03 0.133E+03   0.100E+03 0.138E+03 -.133E+03   0.137E+00 -.129E+01 -.265E+00   -.172E-02 -.974E-03 0.152E-02
   -.108E+03 -.152E+03 0.189E+03   0.108E+03 0.154E+03 -.190E+03   0.498E+00 -.165E+01 0.103E+01   -.142E-02 -.284E-03 0.145E-02
   -.259E+03 0.195E+02 -.183E+03   0.260E+03 -.209E+02 0.185E+03   -.301E+00 0.152E+01 -.234E+01   -.280E-03 -.601E-03 0.686E-03
   -.260E+03 -.511E+02 -.188E+03   0.261E+03 0.511E+02 0.189E+03   -.208E+00 -.287E-01 -.114E+01   0.468E-03 -.383E-03 0.709E-03
   -.174E+03 -.708E+02 0.781E+01   0.173E+03 0.707E+02 -.790E+01   0.234E+00 0.189E+00 -.159E+00   -.560E-03 -.290E-03 0.139E-02
   -.774E+02 -.562E+02 -.267E+02   0.782E+02 0.610E+02 0.288E+02   -.724E+00 -.391E+01 -.245E+01   -.294E-02 -.534E-03 0.184E-02
   -.545E+02 -.132E+03 0.988E+02   0.545E+02 0.134E+03 -.951E+02   0.392E-01 -.314E+01 -.367E+01   -.207E-02 -.132E-02 0.204E-02
   -.145E+03 0.499E+02 0.171E+02   0.145E+03 -.502E+02 -.172E+02   0.120E+00 0.333E+00 -.401E-01   -.772E-03 -.327E-03 0.146E-02
   -.693E+02 0.499E+02 0.219E+03   0.691E+02 -.511E+02 -.221E+03   0.265E+00 0.126E+01 0.171E+01   -.126E-02 -.778E-03 0.474E-03
   -.437E+02 0.704E+02 0.141E+03   0.435E+02 -.719E+02 -.141E+03   0.151E+00 0.138E+01 0.312E+00   -.132E-02 -.115E-02 0.706E-03
   -.185E+03 0.986E+02 -.209E+03   0.185E+03 -.995E+02 0.210E+03   -.127E-01 0.805E+00 -.821E+00   0.162E-03 -.140E-03 0.870E-03
   -.158E+03 0.546E+02 -.279E+03   0.159E+03 -.548E+02 0.281E+03   -.291E+00 0.902E-01 -.219E+01   0.296E-03 -.111E-02 0.787E-03
   -.860E+02 0.556E+02 -.121E+03   0.862E+02 -.564E+02 0.122E+03   -.230E+00 0.714E+00 -.130E+01   -.834E-03 -.156E-02 0.174E-02
   -.403E+02 0.921E+02 -.610E+02   0.402E+02 -.964E+02 0.621E+02   0.228E-02 0.460E+01 -.559E+00   -.130E-02 -.720E-03 0.364E-02
   -.551E+01 0.747E+02 0.143E+03   0.519E+01 -.791E+02 -.141E+03   0.440E+00 0.442E+01 -.198E+01   -.135E-02 -.228E-02 0.150E-02
   0.310E+02 0.393E+02 0.110E+03   -.293E+02 -.336E+02 -.111E+03   -.163E+01 -.566E+01 0.184E+01   -.963E-03 -.118E-02 0.351E-03
   -.174E+02 0.126E+03 0.264E+03   0.184E+02 -.127E+03 -.266E+03   -.115E+01 0.107E+01 0.241E+01   0.414E-03 -.143E-02 -.272E-02
   -.286E+02 0.115E+03 0.221E+03   0.295E+02 -.115E+03 -.223E+03   -.762E+00 -.524E+00 0.211E+01   0.466E-03 -.217E-02 -.255E-02
   0.596E+02 0.597E+02 -.297E+02   -.609E+02 -.599E+02 0.326E+02   0.133E+01 0.248E+00 -.287E+01   -.161E-02 -.269E-03 0.249E-02
   0.127E+02 0.197E+02 0.380E+02   -.122E+02 -.208E+02 -.401E+02   -.473E+00 0.102E+01 0.212E+01   -.165E-02 -.964E-04 0.244E-02
   -.160E+02 0.320E+01 0.791E+02   0.165E+02 -.285E+01 -.799E+02   -.525E+00 -.175E+00 0.897E+00   -.502E-03 -.643E-03 0.546E-04
   -.699E+02 -.703E+00 0.245E+02   0.698E+02 0.596E+00 -.238E+02   0.453E-01 0.167E-01 -.676E+00   -.689E-04 0.185E-03 -.700E-03
   -.129E+03 -.110E+02 0.692E+02   0.128E+03 0.119E+02 -.677E+02   0.104E+01 -.823E+00 -.168E+01   0.158E-02 -.520E-03 -.298E-02
   -.210E+03 -.627E+02 0.135E+03   0.212E+03 0.627E+02 -.138E+03   -.150E+01 -.171E+00 0.313E+01   0.118E-02 -.584E-03 -.246E-02
   -.646E+02 -.993E+02 -.117E+03   0.638E+02 0.990E+02 0.119E+03   0.777E+00 0.377E+00 -.175E+01   -.197E-02 0.290E-02 0.201E-02
   -.952E+02 -.101E+03 -.164E+03   0.943E+02 0.102E+03 0.167E+03   0.765E+00 -.129E+01 -.293E+01   -.224E-02 0.183E-02 0.260E-02
   -.157E+03 -.383E+02 0.112E+02   0.155E+03 0.323E+02 -.924E+01   0.139E+01 0.602E+01 -.202E+01   -.294E-03 0.138E-02 0.903E-04
   -.158E+03 0.165E+02 0.114E+03   0.154E+03 -.106E+02 -.106E+03   0.392E+01 -.599E+01 -.800E+01   0.120E-02 -.121E-02 -.250E-02
   -.429E+02 -.823E+01 -.220E+02   0.446E+02 0.193E+01 0.132E+02   -.164E+01 0.642E+01 0.891E+01   -.206E-02 0.519E-03 0.189E-02
   -.325E+03 -.727E+02 0.831E+02   0.325E+03 0.734E+02 -.845E+02   -.129E+00 -.567E+00 0.119E+01   0.752E-03 0.331E-03 0.208E-03
   -.322E+03 -.994E+02 -.866E+02   0.322E+03 0.101E+03 0.872E+02   -.586E-01 -.141E+01 -.334E+00   0.720E-03 -.350E-03 0.271E-03
   -.289E+03 -.874E+02 -.135E+03   0.289E+03 0.885E+02 0.137E+03   -.717E-01 -.115E+01 -.163E+01   0.108E-02 -.109E-03 0.596E-03
   -.271E+03 -.550E+02 0.174E+03   0.271E+03 0.549E+02 -.177E+03   -.123E+00 0.106E+00 0.229E+01   0.155E-02 0.617E-04 0.630E-03
   -.225E+03 -.101E+03 0.134E+03   0.225E+03 0.102E+03 -.135E+03   0.842E-01 -.681E+00 0.993E+00   0.194E-02 -.123E-03 0.502E-03
   -.243E+03 -.688E+02 -.211E+00   0.243E+03 0.688E+02 0.207E+00   0.328E-01 -.156E+00 -.202E-01   0.137E-02 0.225E-03 -.180E-03
   -.346E+03 -.105E+03 0.229E+02   0.346E+03 0.109E+03 -.246E+02   -.178E+00 -.443E+01 0.661E+00   0.458E-03 -.489E-03 -.137E-02
   -.324E+03 -.969E+02 -.508E+02   0.325E+03 0.101E+03 0.494E+02   -.666E+00 -.420E+01 0.207E+01   0.441E-03 0.116E-02 -.371E-02
   -.207E+03 0.398E+02 0.183E+02   0.207E+03 -.398E+02 -.183E+02   -.287E-01 0.782E-02 0.845E-01   0.127E-02 0.606E-04 -.719E-04
   -.235E+03 0.118E+03 -.869E+02   0.235E+03 -.119E+03 0.880E+02   -.952E-02 0.155E+01 -.119E+01   0.156E-02 -.404E-03 0.332E-03
   -.227E+03 0.124E+03 -.968E+01   0.227E+03 -.126E+03 0.979E+01   0.107E+00 0.129E+01 0.692E-01   0.150E-02 -.522E-03 -.239E-03
   -.149E+03 0.404E+02 0.133E+03   0.149E+03 -.408E+02 -.134E+03   -.306E-01 0.212E+00 0.121E+01   0.975E-03 0.479E-03 0.130E-03
   -.144E+03 -.162E+02 0.145E+03   0.144E+03 0.172E+02 -.147E+03   -.140E-01 -.114E+01 0.249E+01   0.572E-03 -.929E-04 -.211E-03
   -.196E+03 0.329E+02 0.118E+03   0.196E+03 -.330E+02 -.119E+03   -.169E-01 0.336E+00 0.146E+01   0.104E-02 -.666E-03 -.805E-03
   -.216E+03 0.977E+02 0.116E+03   0.215E+03 -.102E+03 -.118E+03   0.246E+00 0.405E+01 0.236E+01   0.109E-02 0.206E-03 -.143E-02
   -.242E+03 0.142E+03 0.584E+02   0.242E+03 -.145E+03 -.623E+02   -.379E-01 0.334E+01 0.329E+01   0.148E-02 -.792E-03 -.183E-02
   -.230E+03 0.107E+03 0.809E+02   0.230E+03 -.102E+03 -.772E+02   0.618E+00 -.480E+01 -.376E+01   0.945E-03 -.194E-02 -.118E-02
   -.113E+03 0.196E+03 0.326E+01   0.111E+03 -.197E+03 -.185E+01   0.124E+01 0.113E+01 -.147E+01   -.502E-03 -.115E-02 -.116E-02
   -.636E+02 0.116E+03 0.328E+02   0.622E+02 -.116E+03 -.310E+02   0.138E+01 -.124E+00 -.184E+01   -.150E-02 -.743E-03 -.151E-02
   -.290E+03 0.989E+02 0.181E+03   0.292E+03 -.985E+02 -.183E+03   -.190E+01 -.254E+00 0.211E+01   0.115E-02 -.196E-02 -.511E-03
   -.186E+03 0.555E+02 0.107E+03   0.185E+03 -.568E+02 -.106E+03   0.138E+01 0.122E+01 -.101E+01   0.364E-03 -.651E-03 -.446E-03
   -.121E+03 -.257E+01 0.777E+02   0.120E+03 0.243E+01 -.772E+02   0.391E+00 0.168E+00 -.455E+00   -.790E-03 0.141E-03 -.971E-03
   -.110E+03 -.666E+01 0.104E+03   0.111E+03 0.678E+01 -.104E+03   -.592E+00 -.136E+00 0.928E+00   -.166E-02 0.849E-03 -.747E-03
   -.570E+02 -.406E+02 0.604E+02   0.582E+02 0.423E+02 -.617E+02   -.127E+01 -.179E+01 0.151E+01   -.248E-02 0.141E-02 0.243E-05
   0.153E+02 -.566E+02 -.332E+02   -.171E+02 0.563E+02 0.355E+02   0.181E+01 0.345E+00 -.220E+01   -.332E-02 0.138E-02 0.116E-02
   -.163E+03 -.128E+03 0.155E+03   0.164E+03 0.128E+03 -.157E+03   -.849E+00 -.173E+00 0.200E+01   -.141E-02 0.837E-03 -.982E-03
   -.135E+03 -.188E+03 0.174E+03   0.136E+03 0.190E+03 -.175E+03   -.111E+01 -.117E+01 0.124E+01   -.199E-02 0.487E-03 -.323E-03
   -.328E+02 -.799E+02 0.848E+02   0.332E+02 0.755E+02 -.887E+02   -.382E+00 0.422E+01 0.380E+01   -.286E-02 0.799E-03 0.838E-03
   -.427E+02 -.293E+02 0.455E+02   0.473E+02 0.382E+02 -.508E+02   -.476E+01 -.886E+01 0.508E+01   -.213E-02 0.129E-02 0.922E-03
   -.228E+03 0.410E+02 0.100E+03   0.222E+03 -.488E+02 -.967E+02   0.644E+01 0.775E+01 -.372E+01   -.119E-02 0.577E-03 -.532E-03
   -.170E+03 -.231E+02 -.116E+03   0.170E+03 0.234E+02 0.117E+03   0.906E-01 -.321E+00 -.145E+01   -.971E-03 -.722E-03 -.841E-03
   -.142E+03 -.138E+03 0.475E+02   0.142E+03 0.139E+03 -.474E+02   0.325E+00 -.134E+01 -.887E-01   -.136E-02 -.145E-02 -.103E-03
   -.142E+03 -.164E+03 0.100E+03   0.142E+03 0.166E+03 -.101E+03   0.420E+00 -.162E+01 0.103E+01   -.851E-03 -.832E-03 -.290E-03
   -.236E+03 0.274E+02 -.204E+03   0.237E+03 -.286E+02 0.206E+03   -.395E+00 0.135E+01 -.232E+01   0.762E-05 -.179E-03 -.179E-02
   -.252E+03 -.440E+02 -.171E+03   0.252E+03 0.441E+02 0.173E+03   -.168E+00 -.112E+00 -.108E+01   0.624E-03 -.499E-03 -.121E-02
   -.173E+03 -.862E+02 -.139E+02   0.173E+03 0.860E+02 0.137E+02   0.160E+00 0.164E+00 0.128E-01   -.999E-04 -.729E-03 -.442E-03
   -.108E+03 -.738E+02 -.962E+02   0.109E+03 0.780E+02 0.985E+02   -.279E+00 -.401E+01 -.233E+01   -.152E-02 -.361E-03 -.309E-03
   -.126E+03 -.129E+03 -.217E+01   0.126E+03 0.132E+03 0.570E+01   0.462E+00 -.321E+01 -.359E+01   -.185E-02 -.162E-02 0.232E-02
   -.133E+03 0.302E+02 0.332E+02   0.133E+03 -.304E+02 -.333E+02   -.716E-01 0.363E+00 -.575E-01   -.221E-04 -.690E-03 0.950E-04
   -.603E+02 0.272E+02 0.172E+03   0.600E+02 -.284E+02 -.174E+03   0.248E+00 0.114E+01 0.168E+01   -.692E-03 -.718E-03 -.667E-03
   -.216E+02 0.609E+02 0.136E+03   0.216E+02 -.623E+02 -.136E+03   0.426E-02 0.137E+01 0.451E+00   -.749E-03 -.426E-03 -.219E-03
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 -----------------------------------------------------------------------------------------------
   0.444E+02 0.114E+02 -.218E+02   0.347E-11 -.534E-11 0.110E-10   -.444E+02 -.114E+02 0.216E+02   -.459E-01 -.325E-01 0.171E+00
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.23242      3.15846      1.34939         0.093600     -0.116710     -0.155291
     12.98990      3.60277      2.64043        -0.087596      0.069364      0.202282
     12.91003      4.96542      2.94178         0.004536      0.018736      0.042679
     13.31462      4.05990      0.29874        -0.003955      0.120072     -0.143542
     13.20792      5.42531      0.58570         0.018777      0.076049      0.000093
     13.06248      5.92816      1.90228        -0.000725     -0.098825      0.201032
     13.34170      1.67575      1.34860         0.099986     -0.011178     -0.185794
     12.80600      2.39296      3.50752         0.089814     -0.056820     -0.270897
     13.12396      7.40445      2.19266         0.017257     -0.055693      0.126196
     13.10527      7.90157      3.52327         0.093472     -0.031530      0.051745
     13.31738      9.25950      3.75311        -0.036559     -0.154840      0.108649
     13.29394      8.35940      1.15683        -0.036933     -0.179941     -0.112100
     13.49612      9.72091      1.39907         0.027665     -0.035382     -0.222968
     13.51969     10.15274      2.71347         0.128930      0.122167      0.037755
     13.77230     11.50710      3.26553        -0.072111     -0.204888      0.044902
     13.39512     10.01712      5.03978         0.087097      0.331563     -0.869403
     13.73934     12.48054      5.61851        -0.012390      0.032513      0.016537
     13.48418     12.32601      6.98927         0.093222     -0.047998     -0.120681
     13.56859     13.41747      7.85340         0.027459     -0.143921     -0.257945
     14.09213     13.76943      5.19500         0.047486      0.032265      0.018479
     14.17196     14.86248      6.07638         0.019941     -0.066999     -0.236109
     13.87705     14.73559      7.47244         0.044542      0.049264     -0.048037
     13.93202     15.85371      8.48970         0.050437      0.049983      0.124270
     13.19428     15.94515      9.72330         0.117892      0.070409     -0.098949
     13.24873     17.11540     10.49816        -0.034109     -0.000398     -0.047390
     14.78606     16.95137      8.24147        -0.047638     -0.098019      0.056461
     14.79341     18.12841      8.98290         0.051486     -0.134866      0.177629
     13.99631     18.22382     10.11468        -0.023794      0.132977      0.123995
     12.36632     14.84222     10.34151         0.016442      0.025008     -0.058415
     14.72609     16.09288      5.37448         0.078399     -0.087397     -0.077737
      9.90964      3.83594      4.64138         0.080833     -0.117633      0.130986
      9.70233      4.75348      3.61749        -0.006749      0.103898     -0.101741
      9.70450      6.13855      3.86613         0.026267      0.063641     -0.067996
     10.24588      4.27613      5.91997         0.019171      0.145542     -0.052567
     10.33816      5.65333      6.14634         0.048289      0.006893      0.031422
     10.02893      6.62859      5.16491        -0.094314      0.055747     -0.243645
      9.73993      2.44249      4.11578         0.030552      0.868693     -0.406256
      9.56014      3.97003      2.33610         0.002226     -0.173286      0.062999
     10.06265      8.10098      5.52748         0.045486      0.008179     -0.159017
     10.05951      9.15232      4.56935         0.048450      0.100547     -0.062527
     10.14805     10.48593      4.99328        -0.014334     -0.109996     -0.135421
     10.11869      8.50131      6.88613         0.055083     -0.124080      0.092223
     10.20726      9.83552      7.30602        -0.095201     -0.116099      0.170624
     10.21899     10.83284      6.33970         0.005916     -0.013628     -0.018519
     10.28810     12.31431      6.46492        -0.008750      0.302228      0.553627
     10.21901     11.75217      4.19591         0.118301      0.027886      0.345972
     10.68966     14.20306      4.79878         0.019596      0.035736      0.068957
     11.24053     14.54438      3.56113        -0.112324      0.077432      0.026172
     11.60635     15.86128      3.27937         0.118903     -0.117523      0.042601
     10.54974     15.26544      5.71019         0.009916      0.050892      0.058622
     10.97018     16.58803      5.43675         0.039729     -0.109014      0.071981
     11.55261     16.95787      4.15966         0.020853      0.173995      0.087410
     12.07804     18.33269      3.70268        -0.084664     -0.090586      0.015181
     12.69875     18.71609      2.44853         0.189928      0.127699     -0.182428
     12.98496     20.06768      2.16313         0.147895     -0.173460     -0.138023
     11.93088     19.44114      4.56260        -0.008467     -0.009649      0.007035
     12.23006     20.77338      4.28864        -0.084264     -0.105774     -0.035691
     12.73671     21.13141      3.04209         0.015040     -0.001482     -0.041007
     13.23163     17.81947      1.31443         0.059754     -0.141785      0.041676
     10.76968     17.50339      6.64157         0.107595      0.128612      0.045488
     10.69798      7.05964     14.90423         0.051951      0.049263     -0.207604
     10.64988      7.49562     16.22139        -0.096330     -0.107960      0.307980
     10.66360      8.86146     16.53958        -0.074670      0.031802      0.079643
     10.70676      7.97651     13.85887        -0.027460      0.005231     -0.061195
     10.67804      9.33518     14.17015         0.070096      0.179362     -0.007305
     10.69134      9.83211     15.49903         0.016757     -0.163439     -0.024615
     10.64387      5.57863     14.86280         0.136353     -0.498866     -1.039284
     10.48483      6.26071     17.08273        -0.048455     -0.027140      0.724233
     10.72420     11.31967     15.73724        -0.024430      0.066253      0.047879
     10.79142     11.90441     17.03332         0.024208     -0.112150     -0.022699
     10.84214     13.29371     17.15084         0.024099     -0.077025      0.177946
     10.70392     12.21501     14.63152        -0.019612     -0.228182      0.013737
     10.79210     13.60160     14.76052         0.035905     -0.165969     -0.055253
     10.86395     14.12643     16.03874         0.060419      0.221442     -0.027041
     10.94734     15.54520     16.47629        -0.052002     -0.128727      0.146352
     10.86790     14.16272     18.37194         0.073892      0.273682     -0.654641
     10.82099     16.69554     18.72578         0.085143      0.067205     -0.062966
     10.05708     16.70646     19.88408        -0.020407      0.107845     -0.066651
      9.85687     17.88817     20.59864         0.043212     -0.100922     -0.082823
     11.44438     17.90564     18.39672        -0.011398      0.150519      0.063333
     11.29069     19.08640     19.16402         0.143724     -0.117215     -0.210956
     10.42733     19.14722     20.32877        -0.033718      0.033582      0.055430
     10.08801     20.33952      0.00624        -0.040397     -0.020889      0.064541
      9.35424     20.30374      1.25921        -0.097027     -0.092825      0.213979
      9.16763      0.18554      2.07250         0.031448      0.082418      0.068968
     10.49094      0.40194     20.96672         0.066950      0.044043      0.089380
     10.34432      1.52744      0.53489        -0.071683      0.042460     -0.067973
      9.69277      1.45310      1.77009         0.046570     -0.105895     -0.132641
      8.70286     19.08005      1.89913        -0.213742      0.011185     -0.172338
     12.18974     20.19858     18.64039         0.127039     -0.079734     -0.158372
      7.33413      7.67588     17.25739         0.109018     -0.046129      0.059367
      7.10074      8.58873     16.23301         0.077791      0.163724      0.004204
      7.05691      9.96999     16.49876         0.026868      0.011620     -0.174081
      7.66474      8.10590     18.53585         0.022326      0.066862      0.077158
      7.69129      9.48203     18.77840         0.045282      0.015611      0.018878
      7.33734     10.45697     17.80886        -0.045609     -0.018836     -0.090722
      7.24654      6.29067     16.73046         0.001321      0.170968     -0.031729
      7.03542      7.79182     14.95073         0.077387      0.030407     -0.058956
      7.28974     11.92232     18.20696        -0.079458      0.164593     -0.209359
      7.07732     13.00297     17.29646         0.032480      0.030097     -0.074927
      7.09324     14.32850     17.75824        -0.005074     -0.028932     -0.200920
      7.46559     12.29085     19.56502         0.051512     -0.059787      0.045372
      7.43464     13.61206     20.03001        -0.101978     -0.155411      0.066128
      7.23989     14.63584     19.10922        -0.029523      0.043659      0.043946
      7.17812     16.11654     19.28684        -0.045238      0.476716      0.689094
      7.03378     15.63651     17.00808         0.058841      0.124424     -0.097771
      7.51735     18.07405     17.68935         0.024686      0.134137      0.019455
      8.40063     18.41687     16.66672         0.099586     -0.061703     -0.103499
      8.83739     19.73309     16.49524         0.068990     -0.108191      0.129598
      7.04340     19.15634     18.44484        -0.055650     -0.009115      0.114187
      7.44973     20.49841     18.24121         0.028059      0.031128      0.058620
      8.44762     20.85660     17.24929        -0.033202      0.106472      0.002124
      9.07132      0.98359     16.93081        -0.035017     -0.099264     -0.150265
      9.89275      1.38461     15.80446        -0.009782     -0.055354     -0.105431
     10.34490      2.70762     15.64029         0.082966     -0.026569     -0.043167
      8.83973      2.07760     17.77957         0.251624      0.130629      0.185025
      9.28071      3.39473     17.61114         0.006067      0.203790      0.038138
     10.03964      3.76928     16.50247        -0.051574     -0.358002      0.060092
     10.42603      0.52952     14.65785        -0.042710      0.035262     -0.300369
      6.71308      0.20718     19.16446         0.295106      0.028083      0.053543
      6.86580     10.80437      6.34670        -0.015174     -0.090232     -0.108201
      6.89173     11.26599      7.65627         0.029608      0.018130      0.117802
      6.94122     12.63906      7.95940         0.051669     -0.005314      0.083184
      6.89934     11.71921      5.29584        -0.035348      0.071529     -0.014004
      6.94331     13.08830      5.59623        -0.012640      0.120676     -0.017316
      6.96233     13.61414      6.91661         0.019605     -0.108537      0.129292
      6.86761      9.30292      6.33844        -0.100770      0.470934      0.516668
      6.90373     10.05423      8.55416        -0.028631      0.043856     -0.241337
      7.03121     15.12159      7.15250         0.060253      0.001190      0.020837
      7.17524     15.72258      8.43543         0.085331     -0.025631      0.123716
      7.27641     17.11978      8.55760         0.030383     -0.109399      0.037845
      7.02082     16.02691      6.05269         0.025252     -0.267085     -0.113084
      7.12069     17.41603      6.17751        -0.055305     -0.197997     -0.112494
      7.21969     17.95651      7.44953        -0.028163      0.105778     -0.054771
      7.35418     19.38688      7.86213         0.104514     -0.779886      0.582716
      7.54793     17.98844      9.75604        -0.087898      0.295908     -0.801861
      7.77813     20.50962     10.11264        -0.074630      0.041221      0.223024
      7.25222     20.50388     11.40269        -0.011685     -0.014354      0.052513
      7.23180      0.39575     12.18720         0.003185     -0.167802     -0.246079
      8.44511      0.43102      9.75487         0.056816      0.119966     -0.034969
      8.56357      1.54681     10.62431         0.138444      0.043097     -0.340125
      7.83821      1.62155     11.87395         0.053339      0.151668     -0.113843
      7.61706      2.82504     12.79715        -0.230611     -0.299337      0.289095
      6.98658      2.81740     14.11041        -0.067325     -0.063871     -0.058102
      6.78472      4.01273     14.82222        -0.001386      0.139583      0.111050
      7.95548      4.12649     12.38344         0.123181      0.296263      0.131833
      7.84752      5.29960     13.15690        -0.011153      0.081182     -0.199401
      7.24781      5.27547     14.41596         0.042770     -0.326240     -0.032850
      6.35337      1.64622     14.88616        -0.044974     -0.033298      0.163186
      9.60404      2.55810     10.12388        -0.183493     -0.019650      0.250548
      4.29525     11.58422     10.27024        -0.031339     -0.130886     -0.045191
      4.09142     12.44897      9.20160         0.010895      0.053117      0.004150
      4.29241     13.82938      9.34834        -0.084184     -0.098456     -0.171015
      4.77010     12.05580     11.48873         0.009189     -0.018890      0.121275
      4.86074     13.43658     11.66494         0.018067      0.133107      0.083684
      4.58176     14.36517     10.63128        -0.082732     -0.023090     -0.153257
      3.87004     10.21091      9.89653         0.010066      0.039082     -0.064932
      3.60869     11.61990      8.03741         0.113206     -0.157970      0.357951
      4.53082     15.84136     10.91607        -0.067559      0.112404     -0.182945
      4.08025     16.78329      9.94214        -0.019034     -0.013657     -0.056194
      4.04360     18.14692     10.25562         0.131506      0.023837      0.152334
      4.90348     16.34601     12.18681         0.036435     -0.119651     -0.031316
      4.77861     17.69195     12.52751         0.025816     -0.099358      0.157749
      4.34818     18.57201     11.54905        -0.039694     -0.025721      0.030728
      4.23578     20.03525     11.63484        -0.005896      0.374588      0.440827
      3.84338     19.38993      9.43020        -0.200360      0.133635     -1.108182
      4.39107      0.60242      9.94751         0.171696      0.244332     -0.121208
      4.97285      0.96277      8.72965        -0.017289      0.109872     -0.004080
      5.51287      2.23646      8.56739         0.135347      0.001990      0.224204
      4.27166      1.64991     10.86077        -0.040053      0.183977      0.150016
      4.72703      2.98101     10.64376        -0.091390     -0.061490      0.095458
      5.48801      3.33325      9.46883         0.042166      0.094244      0.081380
      6.11740      4.70074      9.05375        -0.157214     -0.087017     -0.008485
      6.57060      5.05952      7.73007        -0.025521      0.170714     -0.349000
      6.80654      6.40075      7.33007        -0.050955     -0.283765      0.019912
      6.15850      5.82459      9.92325         0.012013      0.204063     -0.286572
      6.35879      7.16621      9.51954         0.082701     -0.248077      0.080214
      6.64801      7.50955      8.18403         0.004080     -0.237633      0.071616
      6.80282      4.08221      6.57397         0.090357     -0.057744      0.213851
      4.06332      3.79940     11.75573        -0.006546     -0.165015     -0.115714
      0.76280     14.06009      1.09446        -0.108152     -0.441066      0.053252
      1.49860     14.49334      2.19278         0.005988      0.014837     -0.080919
      1.54100     15.88725      2.48326        -0.027564     -0.133854      0.062981
      0.14733     14.92536      0.20983        -0.027711      0.062750     -0.122101
      0.28387     16.28640      0.44087         0.131863      0.154236      0.105933
      0.92650     16.82922      1.59232        -0.099761     -0.050012     -0.235135
      0.71462     12.57759      1.02819         0.428706      0.553955      0.478875
      2.13126     13.21018      2.78595        -0.480997      0.225755     -0.645968
      0.89991     18.35789      1.72678         0.114661      0.026289      0.242146
      1.35392     19.10954      2.85364        -0.026387      0.023072     -0.095697
      1.25308     20.51789      2.85032         0.132661     -0.080036      0.215495
      0.37705     19.13108      0.65308        -0.104774     -0.058604     -0.136625
      0.22855     20.51799      0.67138         0.076169     -0.064641      0.037787
      0.67340     -0.05597      1.79210        -0.183450      0.318356     -0.177636
      0.61753      1.41521      2.06319         0.273529     -0.579004      0.521330
      1.72016      0.30506      3.83684        -0.394647      0.198729     -0.552196
      1.33313      2.87250      4.04542         0.157752     -0.207703      0.078232
      2.05507      2.97621      5.24571        -0.047463      0.077479     -0.090746
      2.19852      4.19461      5.90702         0.053604     -0.002950     -0.052425
      0.69731      4.06055      3.63996        -0.152359      0.243802     -0.106811
      0.76637      5.26122      4.39430         0.086066     -0.104142     -0.048978
      1.59701      5.42386      5.55404         0.106131      0.004507     -0.088789
      1.95042      6.70322      6.34910         0.088419     -0.246070      0.132473
      2.38971      6.72262      7.71534         0.218644      0.116667      0.270061
      2.84281      7.88413      8.36470        -0.049178     -0.021056     -0.033250
      2.01351      8.00218      5.78541        -0.056746      0.317047     -0.107119
      2.47238      9.17642      6.42801         0.068622     -0.121452     -0.038892
      2.91830      9.14573      7.76334         0.141169     -0.010106     -0.005502
      2.60117      5.53288      8.62600        -0.348586     -0.167141     -0.075097
     -0.06842      6.37611      3.82422        -0.150430      0.112626      0.145806
      4.49384     14.17421      0.58543         0.094255      0.064196      0.096287
      3.92746     15.09711     -0.28484        -0.147741      0.110525     -0.227390
      3.99531     16.48482     -0.05236        -0.182154      0.048525     -0.093419
      5.11947     14.63543      1.74480        -0.037769     -0.063350     -0.100967
      5.12491     16.01124      2.00485        -0.009541      0.245390      0.117679
      4.57169     17.00647      1.14103        -0.012253      0.083033      0.171227
      4.28807     12.79131      0.05367         0.058144      0.140482      0.021196
      3.25507     14.30685     19.86923        -0.095542      0.068103     -0.065127
      4.60111     18.50063      1.56673         0.004773     -0.123469     -0.017920
      4.15573     19.62534      0.80440        -0.124911      0.035097     -0.099624
      4.28352     20.94108      1.31063        -0.023336      0.110515     -0.037538
      5.11212     18.82713      2.85193         0.000556     -0.281237     -0.010975
      5.28464     20.12291      3.33996         0.011313      0.050565      0.006572
      4.89210     21.18777      2.53790         0.188055     -0.052100      0.161686
      5.04851      1.40066      2.77344        -0.475033     -0.498864     -0.707486
      3.84366      1.03982      0.78119         0.224651     -0.168544      0.295059
      4.05952      3.47914      1.65225        -0.044450      0.056551     -0.119344
      3.23837      4.04385      0.65715         0.026432     -0.085565      0.060189
      2.97771      5.41270      0.61198        -0.059316      0.260883      0.102030
      4.58194      4.41776      2.56551        -0.085870     -0.049951     -0.014109
      4.20964      5.78785      2.58270         0.106521     -0.199923      0.101884
      3.36663      6.37273      1.58826         0.180223     -0.027075     -0.167641
      2.93294      7.84047      1.55860        -0.121805      0.213013     -0.173446
      1.67415      8.37427      1.11609        -0.121776     -0.253575     -0.203464
      1.29912      9.70841      1.34553         0.151713      0.138134     -0.023043
      3.77327      8.86380      2.05793         0.034752      0.039300      0.088874
      3.41325     10.20062      2.29915        -0.371568      0.269220     -0.199246
      2.12850     10.68498      1.94406         0.193179     -0.353483     -0.185131
      0.64752      7.60035      0.26964         0.205473     -0.089667      0.049804
      4.86716      6.48266      3.76918         0.042449      0.007344     -0.044575
     18.02024     17.31893     13.95534        -0.040130     -0.028387      0.047346
     18.96459     17.78794     14.85971         0.173571      0.199731      0.135359
     19.17649     19.16271     15.06275         0.054773     -0.084729      0.085610
     17.33361     18.21651     13.14583        -0.110234      0.082693     -0.092236
     17.60907     19.58300     13.28126        -0.095659      0.036213     -0.066322
     18.47656     20.11573     14.26589         0.119171     -0.108277      0.205499
     17.99883     15.82740     13.99768        -0.368029     -0.170717     -0.231323
     19.68854     16.59164     15.41637        -0.405283      0.073951     -0.398284
     18.61422      0.35372     14.44345         0.076849      0.062706      0.240359
     19.46167      0.94589     15.41923         0.159352      0.030583      0.246839
     19.49899      2.33833     15.57491         0.118228     -0.028851      0.099899
     17.84165      1.25924     13.67283        -0.065497     -0.056101     -0.062737
     17.87873      2.65201     13.83145        -0.140830     -0.152239     -0.134076
     18.71989      3.18885     14.79857        -0.084948      0.075159      0.049758
     18.94671      4.60489     15.22281        -0.124356      0.158189     -0.121396
     20.30528      3.19174     16.51943        -0.367543      0.098101     -0.269613
     20.50252      5.73132     16.89284         0.226169     -0.065970      0.058907
      0.58122      5.74437     17.27859         0.196709     -0.290812     -0.008900
      1.21255      6.91444     17.70081        -0.052980     -0.115088     -0.068335
     19.82302      6.92610     17.13534        -0.412843      0.126490     -0.106115
     20.41552      8.07381     17.70060         0.268198      0.276301      0.158756
      0.58471      8.14302     17.96214        -0.139698      0.217214     -0.045483
      1.42495      9.32561     18.50537        -0.357371      0.247190     -0.202456
      2.77213      9.33675     19.01901         0.628962     -0.132313     -0.024448
      3.38335     10.53256     19.46853        -0.156802      0.041826     -0.063952
      0.85654     10.62864     18.51265         0.330333      0.133815      0.278763
      1.44142     11.79941     19.03708         0.409052     -0.590387     -0.108822
      2.75056     11.77332     19.54672        -0.228066      0.008632      0.026234
      3.89000      8.26066     19.03133         0.075097     -0.203461     -0.026419
     19.38781      9.16768     18.01645        -0.019437     -0.276559     -0.186043
      1.67763     18.34940     14.15840         0.055759      0.004151     -0.169737
      1.01335     19.25133     13.32846        -0.203332      0.184155      0.031280
      1.06356     20.63000     13.54819         0.007425     -0.092864     -0.115330
      2.43658     18.79978     15.23060        -0.020343      0.065246      0.127962
      2.48108     20.17484     15.46795        -0.012307      0.064878      0.088869
      1.81359     21.11736     14.65171        -0.207411      0.062202     -0.129475
      1.42090     16.97138     13.67744         0.128260     -0.195436      0.095435
      0.25229     18.46478     12.30582         0.309461     -0.244522      0.420647
      1.94821      1.31696     14.93347        -0.145530      0.172126     -0.226180
      1.44144      2.30727     14.05405        -0.123698     -0.074839     -0.131106
      1.72018      3.64655     14.30359        -0.137711      0.035420      0.016282
      2.60950      1.77652     16.09014         0.176192      0.058834      0.237746
      2.96203      3.11620     16.28983         0.052658     -0.247660      0.190842
      2.54924      4.04582     15.34804         0.062780     -0.104638      0.019698
      2.75996      5.51277     15.27346        -0.066073     -0.325255     -0.087128
      1.20506      4.87386     13.64595        -0.522379      0.225403     -0.433809
      1.40692      7.33886     14.21077         0.092180      0.190188      0.007043
      0.08177      7.64253     13.91758         0.139880      0.060995      0.103186
     20.88484      8.94315     14.07357        -0.075212     -0.089769      0.011010
      2.23849      8.42216     14.54067         0.081840      0.024984      0.044584
      1.77424      9.75175     14.64962        -0.054326     -0.171855      0.081105
      0.36575     10.07148     14.46661         0.076643      0.195674      0.046096
     20.87386     11.40640     14.62056         0.017497     -0.082099     -0.013405
     19.47491     11.67495     14.31646        -0.252450      0.064774      0.000314
     18.93251     12.97296     14.42349        -0.078755     -0.091523      0.073417
      0.28066     12.56361     15.09273        -0.077859     -0.044649     -0.024871
     -0.25846     13.85045     15.17523        -0.027897     -0.022814      0.007173
     19.67345     14.09740     14.82178        -0.092031     -0.137341     -0.088343
     18.36194     10.67629     13.93710        -0.027465     -0.129393      0.045140
      2.88923     10.71246     15.04080        -0.156946      0.121309      0.039769
     16.45000      0.43193      5.27406        -0.120211     -0.075682     -0.115208
     16.95479      0.77353      6.52234         0.016247      0.035289      0.098157
     16.82433      2.08107      7.02675        -0.029087      0.083988     -0.031953
     15.83597      1.36665      4.46889        -0.041617      0.225226     -0.023742
     15.74983      2.67455      4.94256        -0.006694      0.060524      0.051242
     16.21862      3.09311      6.21625         0.056219      0.011661      0.054985
     16.76165     20.28666      4.93692         0.027204      0.071621      0.071177
     17.70045     20.82073      7.02094        -0.134226     -0.022144     -0.164103
     16.16894      4.58739      6.53903         0.008661      0.006665      0.034923
     16.62492      5.22348      7.73363         0.007419     -0.070983      0.024411
     16.66869      6.63097      7.80166        -0.078075     -0.107591      0.133212
     15.70443      5.46469      5.52085        -0.034832     -0.108319     -0.058014
     15.78084      6.85553      5.58193        -0.115531     -0.144523     -0.111935
     16.27644      7.43441      6.73671        -0.078600      0.153600      0.024754
     16.50763      8.87485      7.04398         0.092639     -0.506268      0.446678
     17.18136      7.54922      8.88047        -0.409320      0.309155     -0.793703
     17.61434     10.08670      8.98952         0.030572      0.028185      0.080720
     18.63585      9.99759      9.93549        -0.106512      0.057592      0.156388
     19.23839     11.13758     10.47482        -0.017201     -0.085722      0.026328
     17.20537     11.39721      8.69210         0.018870      0.106086      0.022446
     17.84012     12.54381      9.23201        -0.184238     -0.020482     -0.166982
     18.94072     12.46885     10.14991         0.101923      0.048032      0.093283
     19.74255     13.61470     10.79691         0.143846      0.071674      0.060796
     21.08253     13.57154     11.34662        -0.035378      0.060633      0.023284
      0.43071     14.71543     11.90508        -0.017514      0.057368     -0.038791
     19.16772     14.90155     10.94347        -0.095749     -0.182242      0.057865
     19.78922     16.03754     11.46825         0.046761     -0.054976      0.032096
     21.08654     15.97070     11.97547         0.080056     -0.194547     -0.088390
      0.87130     12.46082     11.30903         0.024725      0.007010     -0.155465
     17.16794     13.82235      8.79101        -0.015722      0.000273      0.019020
     20.22260      1.55520      6.27537         0.112683     -0.111615      0.057918
     19.61777      2.56988      5.52696         0.032165      0.095285      0.067027
     19.48435      3.85549      6.01393        -0.021688     -0.063070      0.059528
     20.69745      1.80756      7.55663        -0.017082     -0.017908     -0.000321
     20.55242      3.10530      8.05701         0.009605      0.141328      0.236964
     19.96562      4.16098      7.30948        -0.029737      0.024087     -0.026410
     20.26259      0.31468      5.45084        -0.071068      0.283663     -0.011239
     19.22845      2.02639      4.19123         0.320947     -0.334787      0.718328
     19.97436      5.58128      7.76717        -0.134965     -0.019396     -0.111820
     19.51282      6.60076      6.90488         0.083995      0.095495      0.070072
     19.84068      7.92391      7.17534         0.054953     -0.000958      0.108746
     -0.74999      5.98550      9.00927         0.012945     -0.024729      0.197172
     -0.46333      7.32249      9.29719         0.119297     -0.112662      0.171494
     20.55479      8.27530      8.31355        -0.118752     -0.137637     -0.111687
     -0.31966      9.69239      8.19899         0.464307      0.543675      0.395288
     19.61192      9.15353      6.37124        -0.248142      0.010879     -0.466607
     20.27203     11.60100      6.63869        -0.048045     -0.013076      0.021502
     19.29090     12.04265      5.73734         0.131869      0.114704      0.166198
     19.12555     13.39481      5.47236        -0.030104      0.062574      0.138798
     21.14117     12.58561      7.14863         0.073365      0.076186      0.033735
     20.98414     13.95153      6.83916         0.054525     -0.006904      0.130984
     19.90169     14.42665      6.03758        -0.014696      0.098062     -0.004724
     19.45491     15.86150      5.87980        -0.028171      0.010507     -0.082269
     18.78301     16.42155      4.74564        -0.099669      0.021980     -0.074390
     18.20887     17.70470      4.79892         0.057634     -0.126988     -0.115283
     19.55146     16.74878      6.97943        -0.072719      0.059022     -0.035041
     19.02726     18.04222      7.01688        -0.059475     -0.097791     -0.032602
     18.28365     18.53490      5.93519         0.032082     -0.044841     -0.008692
     18.53408     15.69439      3.42031        -0.003762     -0.034470      0.045691
      0.79406     14.87146      7.40132         0.043542      0.057432      0.007863
     12.70571      5.27018      3.97207         0.073752     -0.039331     -0.076548
     13.42960      3.70894     20.52991         0.063416      0.042680      0.023906
     13.23612      6.11954     21.00447         0.074728     -0.022150      0.005838
     12.95617      7.24809      4.38494         0.016989     -0.016960     -0.070321
     13.27899      8.02772      0.11740         0.041809      0.019845      0.032568
     13.65673     10.43225      0.58665        -0.041553     -0.069193     -0.050313
     13.44765     13.18839      8.89626        -0.096817     -0.053814      0.247036
     13.23849     11.34003      7.37234         0.039681      0.035706      0.163370
     14.30733     13.93648      4.14320         0.035664     -0.049176      0.124873
     12.67002     17.16638     11.41944         0.003103     -0.037007     -0.031903
     15.49700     16.88820      7.43399         0.033126     -0.010361      0.001284
     15.43897     18.95944      8.68777         0.036836     -0.084784     -0.016449
      9.44508      6.82949      3.05938         0.056819     -0.060547      0.004563
     10.42940      3.58124      6.73686         0.065361     -0.112321     -0.023081
     10.66532      5.98182      7.13387        -0.039933     -0.071650      0.001891
     10.00874      8.95158      3.49795         0.004465     -0.062825     -0.003125
     10.07806      7.73502      7.66314         0.014509      0.073960     -0.023693
     10.25389     10.07366      8.37458        -0.011905      0.003009     -0.149013
     11.99687     16.01501      2.29093         0.082647     -0.059533     -0.129970
     11.40369     13.78112      2.81252         0.013083     -0.045349     -0.250316
     10.14836     15.04783      6.69654         0.038504      0.024237     -0.083568
     13.44628     20.29125      1.20613        -0.062524      0.019921      0.094615
     11.54973     19.28821      5.55373        -0.070009      0.115840     -0.080293
     12.00908      0.26520      5.03195         0.000491      0.093570      0.236520
     10.58204      9.17507     17.58190         0.103219     -0.072048      0.019236
     10.69291      7.65252     12.81711         0.046158     -0.059674      0.021137
     10.63016     10.04101     13.33763         0.082420     -0.169226      0.061423
     10.80598     11.29947     17.94543        -0.008358      0.006823     -0.120171
     10.61420     11.81945     13.61864         0.067755      0.062796      0.078349
     10.81590     14.24506     13.88500        -0.041819      0.080568     -0.134692
      9.17494     17.77103      0.15685        -0.049343     -0.035147     -0.049781
      9.56678     15.79771     20.21258        -0.007046     -0.050904      0.183030
     12.06701     17.94860     17.50499        -0.042229      0.013785      0.127610
      8.61736      0.05726      3.00009         0.055262      0.079017     -0.017499
     10.96613      0.60857     20.02173         0.137014     -0.023113     -0.059086
     10.76041      2.47651      0.20160        -0.090385      0.017560     -0.139209
      6.80920     10.66254     15.69051         0.033410     -0.048180      0.005792
      7.92995      7.39250     19.32201        -0.065954      0.068779     -0.087165
      8.01603      9.80019     19.76830        -0.080022     -0.024707      0.024318
      6.91299     12.83774     16.22936         0.077659     -0.099298      0.002840
      7.63349     11.51349     20.31115        -0.064358      0.095352     -0.000116
      7.56287     13.80624     -0.16087         0.009023      0.066951     -0.102792
      9.55478     19.85928     15.70544         0.199276     -0.086537     -0.011361
      8.80796     17.65965     16.00267         0.061550     -0.063293     -0.057830
      6.34156     18.95513     19.24907        -0.003169      0.009709     -0.012276
     10.92088      2.90269     14.74844         0.097724      0.173460      0.006197
      8.29828      1.92876     18.69149        -0.183260      0.005122      0.136215
      8.94774      4.13760     18.32408         0.103658      0.024268      0.251444
      6.95075     12.93297      9.01047         0.108268      0.036149     -0.033042
      6.90703     11.39115      4.25295        -0.034274     -0.025358      0.071260
      6.98555     13.77849      4.74955        -0.026158     -0.111124      0.065406
      7.23963     15.11537      9.34121         0.033054     -0.010427     -0.045432
      6.97932     15.62579      5.03803        -0.032011      0.037689      0.057069
      7.20493     18.05516      5.29640        -0.148509     -0.036551     -0.001769
      6.67475      0.28930     13.09337        -0.166153     -0.036073      0.162564
      6.82933     19.58642     11.79417        -0.118551     -0.014791      0.137933
      8.89803      0.50269      8.76967         0.154470     -0.040724     -0.000958
      6.25065      3.95716     15.76159         0.063646      0.017789      0.043420
      8.34861      4.27277     11.38667         0.118048      0.005571     -0.026213
      8.25246      6.23311     12.76568        -0.121600     -0.039449     -0.148303
      4.22429     14.47838      8.47390        -0.199974     -0.042364      0.077439
      5.01535     11.37468     12.30684        -0.117948      0.008155     -0.070157
      5.10702     13.80897     12.66153         0.034477     -0.090549     -0.066154
      3.76507     16.44880      8.95299         0.042840      0.037143     -0.036892
      5.32751     15.68415     12.94069        -0.059738     -0.037451      0.011815
      5.05750     18.05255     13.52295        -0.023599     -0.079089     -0.115711
      6.03910      2.33299      7.64738         0.068445     -0.093712     -0.171275
      5.05487      0.26861      7.90136         0.079382     -0.161148     -0.067260
      3.78961      1.42490     11.80891        -0.017200      0.116825     -0.076629
      7.07702      6.56103      6.29150         0.030874      0.082811      0.072762
      5.99189      5.67417     10.98479        -0.080626      0.057809     -0.095759
      6.26602      7.95710     10.25553         0.043374     -0.037571      0.259827
      2.02872     16.24415      3.39370         0.090882     -0.063314     -0.037454
     -0.39443     14.54139     20.59755         0.041811      0.086774      0.137985
     -0.11104     16.94364     20.92911        -0.165796     -0.028812      0.130367
      1.77483     18.60921      3.72335         0.054703     -0.027426      0.123956
      0.05242     18.64538     20.99607        -0.024332     -0.030293      0.000650
     -0.20699     -0.20373     21.08642         0.016055     -0.036098     -0.026433
      2.86978      4.15352      6.74499         0.060578     -0.033958     -0.052931
      2.51924      2.09639      5.67456         0.203304     -0.037717      0.015628
      0.10285      4.07482      2.72427         0.006317     -0.066005      0.163296
      3.15304      7.80104      9.39770         0.022597      0.017688      0.000911
      1.72553      8.14661      4.74576         0.042062     -0.072136      0.034055
      2.52265     10.10908      5.86919        -0.097656     -0.033704     -0.116866
      3.56491     17.13992     20.45179        -0.110443      0.174107     -0.035347
      5.55420     13.92944      2.45985        -0.025529      0.123752     -0.057293
      5.57174     16.31145      2.95554         0.012845     -0.005039     -0.151262
      3.70747     19.50067     -0.18240        -0.009827     -0.068693     -0.037683
      5.42962     18.02151      3.51017        -0.008871      0.013960      0.053733
      5.72633     20.29481      4.32481        -0.029707     -0.018309     -0.036603
      2.45535      5.74815     -0.27202        -0.201140     -0.014507      0.103075
      2.78003      3.40686     -0.09035         0.048250     -0.004177     -0.192385
      5.28208      4.08851      3.32265        -0.030811     -0.149593      0.118600
      0.33569     10.02057      0.97536        -0.166261      0.016581     -0.001912
      4.80495      8.59861      2.26946         0.082115      0.103720      0.055950
      4.16251     10.87408      2.70299         0.072257      0.038384      0.045248
     19.89216     19.47286     15.83150        -0.052723     -0.003152     -0.115634
     16.62384     17.86695     12.39080         0.027717      0.020745      0.045185
     17.13509     20.26013     12.56965        -0.099255     -0.053760      0.072838
     20.08774      0.34472     16.08514        -0.042734     -0.027602     -0.100130
     17.15423      0.86215     12.92634        -0.006937      0.059570     -0.024201
     17.23743      3.28453     13.21285         0.069153      0.030273      0.047893
      2.27542      6.81513     17.84575         0.029340      0.053666      0.011195
      1.13939      4.80925     17.25216         0.101348      0.171109     -0.045938
     18.77156      6.98692     16.88627        -0.165888     -0.032915     -0.008555
      4.41188     10.47122     19.78183         0.143186      0.072970      0.150992
     -0.12249     10.76333     18.08062        -0.014838      0.096567      0.017693
      0.87625     12.71239     19.03204        -0.329711      0.429192     -0.097881
      0.53447      0.04600     12.86061         0.102765     -0.182454      0.206738
      2.97219     18.10711     15.88009        -0.018885     -0.068557     -0.001500
      3.05894     20.54134     16.32120         0.017718     -0.161054     -0.162685
      0.84173      2.04856     13.17474         0.094350      0.033721      0.128953
      2.86049      1.07092     16.88440         0.114254      0.075640     -0.088136
      3.49605      3.40472     17.19916         0.058219      0.029176     -0.131063
     19.83716      9.03233     13.88775        -0.121533      0.003195      0.048557
     20.64439      6.86819     13.62575        -0.198748     -0.084386     -0.045336
      3.28238      8.20127     14.76402        -0.143483      0.167732     -0.093506
     17.88126     13.10144     14.18061         0.121277      0.068141      0.012826
      1.30197     12.49081     15.43619         0.038431     -0.000036     -0.111236
      0.37516     14.67474     15.47118         0.226019      0.000877      0.221780
     17.25551      2.32160      8.00163        -0.023564      0.015318     -0.014071
     15.49682      1.09474      3.46848        -0.002532      0.039663      0.051071
     15.33147      3.40363      4.25348         0.004509     -0.078108      0.049368
     16.97457      4.64964      8.59957        -0.022945      0.007547     -0.146555
     15.25739      5.03986      4.62301         0.162677      0.162414     -0.005327
     15.46639      7.45966      4.73133        -0.000982      0.033920      0.031937
     19.98594     10.95160     11.22465         0.014487     -0.027680     -0.047143
     18.94687      9.01941     10.27655         0.091995     -0.028048      0.202217
     16.37224     11.54941      8.01536         0.006211      0.009850     -0.089045
      1.42755     14.60572     12.30912        -0.005073      0.131172     -0.013531
     18.13144     15.03908     10.67119        -0.099651      0.005430      0.051356
     19.24416     16.96879     11.52481        -0.213808      0.182441     -0.149350
     19.02040      4.60507      5.37480         0.036616     -0.016649     -0.011185
     -0.06171      1.02073      8.13465        -0.142602      0.155064     -0.049402
     -0.28937      3.30809      9.04732        -0.162460      0.003949     -0.106087
     18.97383      6.37436      5.99146        -0.028861      0.012606     -0.014726
     -0.50537      5.23128      9.76040        -0.058408      0.143288      0.002413
     -0.06188      7.60295     10.27109         0.181104     -0.028454     -0.015102
     18.29188     13.65941      4.84087        -0.195332     -0.014146     -0.034743
     18.62228     11.32488      5.29270        -0.254775     -0.135304     -0.191018
      0.68962     12.30294      7.81698        -0.025677     -0.045543     -0.104336
     17.63398     18.02830      3.93779         0.069442      0.086517     -0.007390
     20.00295     16.39397      7.90000         0.046028      0.034796     -0.053698
     19.17181     18.66610      7.89327         0.008872     -0.090315      0.150766
     13.97101     19.13722     10.71616        -0.025564     -0.072506     -0.030194
     19.53923      0.04036      3.45771        -0.034240      0.095233      0.134078
     12.97065      1.23911      2.66429         0.009125     -0.014906     -0.089541
     13.63998     11.39167      4.68507        -0.011563      0.097307      0.345651
      9.62760      2.56806      2.68768        -0.046458      0.034227     -0.046749
     10.37300     12.83674      5.13798         0.062070      0.061883     -0.124754
     10.40254      5.12887     16.18464         0.021379      0.040806      0.288395
     10.91048     15.52305     17.89642         0.073248      0.069301      0.302109
      7.15957      6.40474     15.30767        -0.096119     -0.155244      0.075807
      7.20503     16.68952     17.98399        -0.075468     -0.090999     -0.153173
      6.77459      8.88006      7.71549         0.022416     -0.005092      0.033155
      7.62142     19.35469      9.26718         0.030571      0.034325      0.054145
      3.44670     10.26378      8.51773        -0.025182     -0.121244     -0.109815
      4.06673     20.51902     10.30596        -0.004166     -0.259392      0.088975
      1.70470     12.08687      1.93462         0.038122     -0.208554      0.229566
      1.23541      1.60742      3.33914         0.142559      0.048891      0.241043
      3.40295     12.90277     20.19846        -0.148339      0.138237     -0.182668
      4.31749      2.04751      1.72642        -0.121650      0.326278     -0.194325
     19.11365     15.42170     14.79925         0.028889      0.112970     -0.014511
     19.91430      4.56406     16.27392         0.028433     -0.021283      0.109935
      0.49821     17.07852     12.59373        -0.220527      0.015546     -0.042301
      1.85462      5.98912     14.27743        -0.049753     -0.020493     -0.020592
     17.62721     19.81467      5.96936        -0.063913     -0.207216     -0.012690
     17.06368      8.90654      8.36227         0.096667      0.160324      0.156028
     19.62381      0.67921      4.25134        -0.090308     -0.335603     -0.439240
     20.31896     10.21984      7.02441        -0.114462      0.027309     -0.154176
     12.56638      2.37024      4.70094         0.079449      0.030603      0.290610
     13.72456      0.97355      0.42397        -0.083669      0.161620      0.233111
     13.26781      9.57375      6.15786        -0.078120     -0.332948      0.763796
     14.04254     12.51515      2.63573        -0.018263      0.128979     -0.102142
      9.45822      4.39128      1.19899        -0.056868      0.110605     -0.154079
      9.70761      1.40778      4.73513        -0.042108     -0.754352      0.425066
     10.16794     11.87342      2.98646        -0.064828      0.031540     -0.392357
     10.25364     12.97872      7.49896        -0.028181     -0.415465     -0.591514
     10.41930      6.20121     18.30963         0.078663     -0.035059     -0.778188
     10.77457      4.86707     13.86097        -0.049597      0.618120      0.718522
     10.85218     13.82571     19.53423        -0.007816     -0.199231      0.683488
     11.00946     16.54880     15.78563         0.010506      0.124724     -0.181955
      6.96822      8.19569     13.80422        -0.105774      0.155839     -0.153680
      7.25419      5.25583     17.37813        -0.158727      0.088479     -0.072121
      6.87927     15.82223     15.81213         0.048026     -0.044035      0.013369
      7.10000     16.74834     20.34303        -0.043710     -0.493268     -0.767871
      7.03764     10.03879      9.76286         0.035291     -0.045020      0.312120
      6.98002      8.58198      5.36905        -0.087925     -0.239272     -0.243744
      7.69169     17.65503     10.90923         0.164663     -0.260634      0.643530
      7.21598     20.37934      7.18103         0.066041      0.556598     -0.343079
      3.39922     11.97617      6.89713        -0.038506      0.050959     -0.397330
      3.86947      9.23167     10.62751        -0.019073      0.034017     -0.029880
      3.57139     19.48222      8.23318         0.294648     -0.069481      0.907797
      4.27830     20.72033     12.65364        -0.060822     -0.364100     -0.435248
      2.85070     13.09396      3.74607         0.469630     -0.063721      0.470110
     -0.06303     11.93570      0.35541        -0.365909     -0.380838     -0.490705
      2.40475      0.14833      4.82039         0.236880     -0.121139      0.415952
      0.12751      2.27623      1.36418        -0.155009      0.396375     -0.335996
      2.69780     14.73206     18.87147        -0.053516     -0.065788      0.092029
      4.80865     11.76013      0.45503         0.033613      0.047900      0.026532
      3.18178      1.27704     -0.20963        -0.063983     -0.069848     -0.252134
      5.70114      1.95039      3.63300         0.298307      0.213801      0.505958
     -0.64508     16.58973     16.19855         0.467546      0.005285      0.517098
     17.17667     15.08803     13.46933         0.304084      0.208494      0.131222
     -0.13079      2.81756     17.33095         0.157478      0.004979      0.310031
     18.42552      5.61599     14.76865         0.163885     -0.217044      0.160810
     20.81652     18.87275     11.40055        -0.400587      0.262966     -0.467791
      1.89803     15.92948     14.10647        -0.011548      0.092368     -0.001395
      0.33974      4.96267     12.77679         0.414369     -0.052788      0.353435
      3.54408      6.18563     15.91997         0.173767      0.140141     -0.002873
     18.27868     20.68419      8.08216         0.042536     -0.043417      0.221804
     16.35223     19.66686      3.96434         0.137210      0.075335      0.068219
     17.61918      7.25236      9.96553         0.188252     -0.231596      0.728343
     16.30911      9.83403      6.32666        -0.186012      0.378588     -0.151808
     18.69841      2.57597      3.24833        -0.295739      0.245332     -0.454264
     20.73286     20.47085      5.69290         0.002290      0.042068     -0.001765
     18.93793      9.24246      5.35136         0.298459      0.036252      0.278144
      0.43399     10.32002      8.93417        -0.288235     -0.338079     -0.354841
     14.09381     17.26232      5.65812         0.003194      0.066237      0.056676
     16.06419     16.27298      5.69195        -0.167499     -0.106656      0.006944
     14.71322     15.98832      4.02035        -0.053486     -0.052847      0.085360
     11.67255     15.24617     11.44960        -0.105776      0.078106      0.032079
     11.44565     14.32006      9.49153        -0.105122     -0.056636      0.034037
     13.15141     13.79659     10.79563        -0.032310     -0.008458      0.033107
     11.93308     18.08041      7.09340        -0.205393     -0.089416     -0.024608
      9.88156     18.53429      6.38703         0.144991     -0.107779      0.002859
     10.25879     16.87069      7.73472        -0.037765     -0.141239     -0.011193
     13.76032     18.52502      0.27129        -0.044705      0.006102      0.060504
     14.23975     16.99482      1.72752        -0.241322     -0.004615      0.069697
     12.27447     17.01756      0.72686         0.100615      0.122812     -0.002599
     11.49705      0.06047     18.24499         0.091847      0.054722      0.038251
     13.11287     -0.68485     19.56701        -0.138714      0.179944      0.023530
     12.91032     19.85067     17.52271        -0.063312     -0.063980      0.220477
      8.10659     19.33458      3.10399         0.153373      0.069424      0.106433
      7.68371     18.54023      1.13273         0.203161      0.244273      0.160079
      9.58715     18.07388      2.15862         0.009899     -0.130787      0.021475
      7.55563      0.86046     20.04375        -0.148144     -0.124112      0.119287
      6.00869      1.16113     18.49810         0.084373      0.045491      0.060682
      5.80585     20.85595     19.97842        -0.152259     -0.234233     -0.021264
     10.89020      1.28078     13.59823         0.079461     -0.290791      0.271857
     11.48781     -0.24627     15.06221        -0.194008     -0.054748     -0.104085
      9.50154     20.96096     14.07343         0.190626     -0.013315      0.037780
      9.07134      3.69957      9.54734        -0.004007     -0.093882      0.062149
     10.42832      2.97209     11.12731        -0.094696      0.048196      0.031587
     10.42293      2.04194      9.16074         0.009191     -0.098994     -0.052064
      6.06416      2.00197     16.17301         0.001966      0.022543     -0.079819
      5.15986      1.21641     14.37616         0.135233      0.129659     -0.179962
      7.12235      0.51578     15.01660        -0.041631      0.260701     -0.242543
      4.28868      5.12601     11.89774         0.123117     -0.013278     -0.128173
      2.69125      3.66333     11.59658         0.144551      0.207972     -0.052335
      4.34041      3.26283     12.98651         0.019640      0.104136     -0.056918
      7.38487      4.65293      5.49102        -0.122546      0.229573     -0.108641
      7.67078      3.05355      6.91714        -0.232948      0.243654     -0.068741
      5.64585      3.52197      6.09988         0.128489     -0.063371      0.087443
     -0.57068      7.24678      4.74175         0.127667     -0.159992      0.083049
      0.68222      7.16474      3.01701         0.242540      0.173675     -0.032913
     -1.15207      5.95283      3.11162         0.087345     -0.190194      0.005896
      2.83631      5.86815      9.91677        -0.265197      0.164166      0.120565
      1.58177      4.61475      8.67732         0.144913      0.087250     -0.212838
      3.71078      4.83600      8.23817         0.079503     -0.049384     -0.078916
      6.18133      6.78069      3.47827        -0.134064     -0.100661     -0.070079
      4.30118      7.63583      4.22381        -0.027010     -0.276954     -0.041987
      4.88125      5.65103      4.85547         0.030968      0.212842     -0.019962
     -0.38016      8.39359     21.14277        -0.204936      0.065376     -0.035365
      1.24061      7.15406     -0.89349        -0.130404      0.172257      0.249735
      0.06870      6.48847      0.79578         0.149344     -0.124260      0.014745
     19.48401      9.65462     19.27836         0.060821      0.061874      0.080779
     19.47626     10.24577     17.15980        -0.041505     -0.038551      0.127390
     18.09841      8.71814     17.89322         0.070046      0.070066      0.019162
      4.82856      8.53271     20.00849        -0.140878     -0.224422     -0.225535
      3.58423      6.94271     19.25504        -0.019743      0.409140     -0.053974
      4.57466      8.28447     17.83098        -0.369698      0.048447      0.282477
      3.04644     11.76404     14.18072        -0.073913     -0.044510      0.082015
      2.67734     11.25542     16.28775         0.217600     -0.020792     -0.072041
      4.12378     10.12881     15.10183        -0.046211     -0.080541      0.019835
     17.15501     11.26760     13.70662         0.005647      0.129147     -0.001658
     18.60527      9.95712     12.78673        -0.155257      0.091357      0.152152
     18.11380      9.75353     14.91850         0.081713      0.012439      0.006093
     16.29346     14.27664      9.76222         0.130902      0.021685     -0.044806
     18.01157     14.85411      8.50105         0.100519     -0.008596      0.035071
     16.42898     13.66086      7.66545         0.036794     -0.100081     -0.173746
      1.91409     12.72572     12.14806         0.107090     -0.035128     -0.072970
      0.50416     11.19912     11.67006        -0.005100     -0.004622     -0.092321
      1.41935     12.38955     10.05435        -0.170107      0.075220      0.117796
      1.13176     15.87260      6.53060        -0.091877     -0.023362      0.050870
      0.43070     15.48195      8.58937         0.087390     -0.079591     -0.100360
      1.95721     14.22205      7.69426        -0.201907      0.013894     -0.166954
     18.24986     16.54881      2.39551         0.144813      0.128447      0.036430
     19.60505     14.94677      3.00374        -0.053213      0.066940      0.180595
     17.45161     14.83374      3.45993         0.146704      0.177287      0.026653
 -----------------------------------------------------------------------------------
    total drift:                                0.005934     -0.021674      0.008550


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4579.7477375309 eV

  energy  without entropy=    -4579.9021792379  energy(sigma->0) =    -4579.79921810
 
 d Force = 0.2792425E-01[-0.720E-03, 0.566E-01]  d Energy = 0.2761853E-01 0.306E-03
 d Force = 0.2154992E+03[ 0.215E+03, 0.216E+03]  d Ewald  = 0.2154993E+03-0.762E-04


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   90(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3152
 total energy-change (2. order) : 0.1024299E+01  (-0.6959734E+02)
 number of electron    2497.9999991 magnetization 
 augmentation part      162.7528555 magnetization 

  free energy =  -0.457872344348E+04  energy without entropy=  -0.457887858543E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   90(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) :-0.1524776E+01  (-0.1812822E+01)
 number of electron    2497.9999990 magnetization 
 augmentation part      162.8080273 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8594
  0.8594

  free energy =  -0.458024821952E+04  energy without entropy=  -0.458040198095E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   90(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3720
 total energy-change (2. order) : 0.4797203E-01  (-0.3528539E-01)
 number of electron    2497.9999990 magnetization 
 augmentation part      162.7478747 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4049
  1.0662  1.7437

  free energy =  -0.458020024749E+04  energy without entropy=  -0.458035488259E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   90(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3568
 total energy-change (2. order) :-0.7600083E-02  (-0.2749348E-01)
 number of electron    2497.9999990 magnetization 
 augmentation part      162.7086301 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2923
  2.1855  0.8457  0.8457

  free energy =  -0.458020784757E+04  energy without entropy=  -0.458036155547E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   90(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3696
 total energy-change (2. order) :-0.9249138E-03  (-0.5291966E-02)
 number of electron    2497.9999990 magnetization 
 augmentation part      162.7182674 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3319
  2.4042  1.0138  1.0138  0.8955

  free energy =  -0.458020877249E+04  energy without entropy=  -0.458036348091E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   90(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) : 0.1461357E-02  (-0.2600144E-02)
 number of electron    2497.9999990 magnetization 
 augmentation part      162.7206211 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2379
  2.4128  1.0630  1.0630  0.8253  0.8253

  free energy =  -0.458020731113E+04  energy without entropy=  -0.458036123245E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   90(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) : 0.4405828E-04  (-0.4993412E-03)
 number of electron    2497.9999990 magnetization 
 augmentation part      162.7227605 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2379
  2.3999  0.9911  0.9911  1.2071  1.2071  0.6311

  free energy =  -0.458020726707E+04  energy without entropy=  -0.458036185945E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   90(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3512
 total energy-change (2. order) : 0.1227530E-03  (-0.8587612E-04)
 number of electron    2497.9999990 magnetization 
 augmentation part      162.7268507 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2261
  2.4672  1.0622  1.0622  1.3473  1.2068  0.8342  0.6028

  free energy =  -0.458020714432E+04  energy without entropy=  -0.458036153825E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   90(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3688
 total energy-change (2. order) :-0.3675366E-04  (-0.4398142E-04)
 number of electron    2497.9999990 magnetization 
 augmentation part      162.7251962 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2280
  2.5097  1.6504  1.0365  1.0365  1.0958  0.9458  0.9458  0.6039

  free energy =  -0.458020718107E+04  energy without entropy=  -0.458036156361E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   90(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3328
 total energy-change (2. order) :-0.1281916E-04  (-0.7813828E-05)
 number of electron    2497.9999990 magnetization 
 augmentation part      162.7250807 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2188
  2.5803  1.8470  1.0899  1.0899  1.0950  0.9582  0.9582  0.7461  0.6046

  free energy =  -0.458020719389E+04  energy without entropy=  -0.458036159688E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   90(  11)  ---------------------------------------



 eigenvalue-minimisations  :  2848
 total energy-change (2. order) :-0.1936959E-04  (-0.3778513E-05)
 number of electron    2497.9999990 magnetization 
 augmentation part      162.7249988 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2193
  2.6070  1.9171  1.0202  1.0202  1.3252  0.9689  0.9689  0.9887  0.7683  0.6083

  free energy =  -0.458020721326E+04  energy without entropy=  -0.458036159817E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   90(  12)  ---------------------------------------



 eigenvalue-minimisations  :  2232
 total energy-change (2. order) :-0.1862238E-04  (-0.4802120E-06)
 number of electron    2497.9999990 magnetization 
 augmentation part      162.7249616 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2593
  2.5674  2.3052  1.5829  1.0374  1.0374  1.1950  0.9353  0.9353  0.9569  0.6923
  0.6075

  free energy =  -0.458020723188E+04  energy without entropy=  -0.458036161172E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   90(  13)  ---------------------------------------



 eigenvalue-minimisations  :  2224
 total energy-change (2. order) :-0.2064617E-04  (-0.7019606E-06)
 number of electron    2497.9999990 magnetization 
 augmentation part      162.7250083 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2787
  2.7925  2.5115  1.4639  1.4639  1.0130  1.0130  0.9547  0.9547  0.9452  0.9452
  0.6077  0.6795

  free energy =  -0.458020725253E+04  energy without entropy=  -0.458036162861E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   90(  14)  ---------------------------------------



 eigenvalue-minimisations  :  2208
 total energy-change (2. order) :-0.1418969E-04  (-0.2326584E-06)
 number of electron    2497.9999990 magnetization 
 augmentation part      162.7249984 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3409
  3.4030  2.5666  1.5973  1.5973  1.0290  1.0290  1.0859  1.0859  0.9451  0.9451
  0.8633  0.6075  0.6768

  free energy =  -0.458020726672E+04  energy without entropy=  -0.458036163518E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   90(  15)  ---------------------------------------



 eigenvalue-minimisations  :  2224
 total energy-change (2. order) :-0.9898882E-05  (-0.2007347E-06)
 number of electron    2497.9999990 magnetization 
 augmentation part      162.7249984 magnetization 

  free energy =  -0.458020727662E+04  energy without entropy=  -0.458036164278E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.9912       2 -56.0979       3 -55.9808       4 -55.8046       5 -55.8208
       6 -56.2546       7 -58.1016       8 -58.2247       9 -56.2346      10 -55.9091
      11 -55.9998      12 -55.8032      13 -55.7665      14 -55.9142      15 -58.0475
      16 -58.1506      17 -56.3415      18 -55.0090      19 -54.9132      20 -55.0535
      21 -55.6489      22 -55.5829      23 -55.5770      24 -55.5836      25 -54.9960
      26 -54.8122      27 -54.9329      28 -54.9248      29 -60.4057      30 -60.3563
      31 -55.7309      32 -55.8386      33 -55.7217      34 -55.4898      35 -55.5501
      36 -56.0273      37 -57.8397      38 -57.9827      39 -56.1380      40 -55.8698
      41 -55.9958      42 -55.7222      43 -55.7589      44 -55.9298      45 -58.0796
      46 -58.2039      47 -56.4607      48 -55.1264      49 -54.9576      50 -55.3114
      51 -55.9143      52 -55.8320      53 -55.7437      54 -55.7318      55 -55.0504
      56 -54.8462      57 -54.9343      58 -56.3406      59 -60.3236      60 -60.6265
      61 -55.8926      62 -56.0159      63 -55.8911      64 -55.7242      65 -55.7085
      66 -56.1500      67 -57.9650      68 -58.2046      69 -56.1679      70 -55.8743
      71 -55.9626      72 -55.7062      73 -55.6738      74 -55.8711      75 -57.9916
      76 -58.0832      77 -56.2696      78 -55.0444      79 -54.8754      80 -55.1927
      81 -55.7665      82 -55.7714      83 -55.8754      84 -55.8791      85 -55.2925
      86 -55.0369      87 -55.1972      88 -56.3844      89 -60.6278      90 -60.3515
      91 -55.7844      92 -55.9015      93 -55.7929      94 -55.5757      95 -55.6290
      96 -56.1132      97 -57.9478      98 -58.0382      99 -56.2064     100 -55.9193
     101 -56.0502     102 -55.7208     103 -55.7787     104 -55.9805     105 -58.0943
     106 -58.1920     107 -56.3835     108 -55.1255     109 -54.9521     110 -55.3717
     111 -55.8804     112 -55.8195     113 -55.6869     114 -55.6528     115 -55.0079
     116 -54.7754     117 -54.9082     118 -56.2117     119 -60.3262     120 -60.5926
     121 -55.9718     122 -56.0052     123 -55.8935     124 -55.7823     125 -55.7991
     126 -56.2046     127 -58.1173     128 -58.1851     129 -56.1824     130 -55.8251
     131 -55.9302     132 -55.7497     133 -55.6936     134 -55.8492     135 -57.9366
     136 -58.0483     137 -56.3192     138 -55.0443     139 -54.9236     140 -55.3088
     141 -55.8193     142 -55.7505     143 -55.8210     144 -55.8038     145 -55.1814
     146 -55.0770     147 -55.2191     148 -56.3521     149 -60.4403     150 -60.5023
     151 -55.6334     152 -55.7603     153 -55.6005     154 -55.4312     155 -55.4615
     156 -55.9120     157 -57.8758     158 -57.9536     159 -55.9928     160 -55.7501
     161 -55.9140     162 -55.5358     163 -55.5559     164 -55.7723     165 -57.9448
     166 -58.0793     167 -56.3700     168 -55.0553     169 -54.8780     170 -55.2055
     171 -55.8545     172 -55.8688     173 -55.8917     174 -55.8202     175 -55.2582
     176 -55.0929     177 -55.1505     178 -56.5127     179 -60.4783     180 -60.5747
     181 -55.7895     182 -56.0425     183 -55.9041     184 -55.5649     185 -55.5912
     186 -56.1516     187 -57.8836     188 -58.1908     189 -56.2048     190 -55.8559
     191 -56.0197     192 -55.7012     193 -55.6811     194 -55.8955     195 -57.9726
     196 -58.1780     197 -56.5251     198 -55.0762     199 -55.0064     200 -55.3335
     201 -55.8497     202 -55.8590     203 -55.8794     204 -55.8087     205 -55.0851
     206 -55.2055     207 -55.1602     208 -56.4359     209 -60.6143     210 -60.4895
     211 -55.9945     212 -56.0407     213 -55.9154     214 -55.8211     215 -55.7872
     216 -56.2647     217 -58.1298     218 -58.1673     219 -56.1673     220 -55.8460
     221 -55.9537     222 -55.6135     223 -55.5468     224 -55.8139     225 -57.9542
     226 -58.1463     227 -56.4223     228 -54.9814     229 -54.9109     230 -55.1685
     231 -55.7315     232 -55.7234     233 -55.6925     234 -55.7008     235 -55.0302
     236 -55.0722     237 -55.1646     238 -56.4140     239 -60.2999     240 -60.4002
     241 -55.9711     242 -56.0387     243 -55.9323     244 -55.7647     245 -55.7709
     246 -56.2210     247 -58.0868     248 -58.1728     249 -56.2048     250 -55.8712
     251 -55.9778     252 -55.7554     253 -55.7527     254 -55.9198     255 -58.0075
     256 -58.0948     257 -56.3319     258 -55.0704     259 -54.9218     260 -55.2400
     261 -55.7723     262 -55.7385     263 -55.7885     264 -55.8379     265 -55.1773
     266 -54.9534     267 -55.1550     268 -56.3492     269 -60.5446     270 -60.3964
     271 -55.8509     272 -55.9232     273 -55.7804     274 -55.6708     275 -55.6133
     276 -56.0066     277 -58.0228     278 -58.0967     279 -55.9073     280 -55.6609
     281 -55.7710     282 -55.4964     283 -55.5040     284 -55.7394     285 -57.9798
     286 -57.9814     287 -56.3180     288 -55.0212     289 -54.8992     290 -55.2434
     291 -55.8514     292 -55.8099     293 -55.8605     294 -55.8607     295 -55.2007
     296 -55.0077     297 -55.0424     298 -56.3944     299 -60.5168     300 -60.5451
     301 -55.8659     302 -56.0297     303 -55.9406     304 -55.6496     305 -55.6854
     306 -56.2039     307 -58.0335     308 -58.2428     309 -56.2435     310 -55.9419
     311 -56.0293     312 -55.7148     313 -55.7092     314 -55.8943     315 -57.9615
     316 -58.1572     317 -56.4105     318 -55.0494     319 -54.9050     320 -55.2798
     321 -55.7935     322 -55.7536     323 -55.8612     324 -55.8542     325 -55.1834
     326 -55.0987     327 -55.2112     328 -56.3846     329 -60.5065     330 -60.4649
     331 -55.7128     332 -55.7309     333 -55.6165     334 -55.5591     335 -55.5271
     336 -55.9544     337 -57.9126     338 -57.8992     339 -55.8719     340 -55.6088
     341 -55.7352     342 -55.4531     343 -55.4736     344 -55.7245     345 -57.8760
     346 -57.9197     347 -56.4291     348 -54.9926     349 -54.9953     350 -55.2768
     351 -55.7650     352 -55.7099     353 -55.6982     354 -55.7191     355 -55.1579
     356 -54.9975     357 -55.0300     358 -56.4111     359 -60.4587     360 -60.5020
     361 -39.0302     362 -38.7773     363 -38.9368     364 -39.0097     365 -38.9596
     366 -38.7249     367 -38.1524     368 -38.1056     369 -38.0731     370 -38.1326
     371 -38.1028     372 -38.1780     373 -38.7058     374 -38.3858     375 -38.7381
     376 -38.8771     377 -38.8329     378 -38.7696     379 -38.1724     380 -38.1721
     381 -38.2865     382 -37.9953     383 -38.2120     384 -37.9545     385 -38.9143
     386 -38.7882     387 -38.8942     388 -38.9133     389 -38.8647     390 -38.6154
     391 -38.2512     392 -38.2749     393 -38.1993     394 -38.3166     395 -38.2062
     396 -38.3281     397 -38.7508     398 -38.5034     399 -38.8346     400 -38.8958
     401 -38.8303     402 -38.7612     403 -38.1795     404 -38.1919     405 -38.4564
     406 -38.0297     407 -38.0922     408 -37.9461     409 -38.8051     410 -38.7856
     411 -38.9782     412 -38.7803     413 -38.9694     414 -38.7203     415 -38.2069
     416 -38.2886     417 -38.3280     418 -38.2403     419 -38.2677     420 -38.3250
     421 -38.6478     422 -38.3509     423 -38.6267     424 -38.7496     425 -38.6037
     426 -38.5549     427 -38.2376     428 -38.0702     429 -38.2804     430 -38.2267
     431 -38.1377     432 -38.0162     433 -38.7478     434 -38.5942     435 -38.8643
     436 -38.7251     437 -38.9648     438 -38.6885     439 -38.2352     440 -38.0802
     441 -38.1890     442 -38.1233     443 -38.1814     444 -38.0722     445 -38.8919
     446 -38.8698     447 -38.9883     448 -38.7648     449 -38.8459     450 -38.4349
     451 -37.9928     452 -37.9529     453 -38.0930     454 -37.9786     455 -38.1644
     456 -38.2031     457 -38.9272     458 -38.7225     459 -38.9143     460 -38.9025
     461 -38.8981     462 -38.7175     463 -38.1396     464 -38.2632     465 -38.2951
     466 -38.2725     467 -38.1088     468 -38.3104     469 -38.8486     470 -38.6587
     471 -38.7654     472 -38.7935     473 -38.6069     474 -38.5107     475 -38.3262
     476 -38.1178     477 -38.2355     478 -38.1988     479 -38.1878     480 -37.9927
     481 -38.8970     482 -38.7226     483 -38.9627     484 -38.8783     485 -38.9728
     486 -38.7541     487 -38.0920     488 -38.1955     489 -38.2904     490 -38.3067
     491 -38.2263     492 -38.3939     493 -38.7868     494 -38.4753     495 -38.6112
     496 -38.7875     497 -38.4804     498 -38.4725     499 -38.1623     500 -37.9918
     501 -38.2690     502 -38.1299     503 -38.0981     504 -38.0182     505 -38.2189
     506 -41.0469     507 -71.6582     508 -71.6150     509 -71.3866     510 -71.5894
     511 -71.4741     512 -71.4896     513 -71.4320     514 -71.5036     515 -71.6185
     516 -71.4317     517 -71.4130     518 -71.4755     519 -71.5025     520 -71.5636
     521 -71.5278     522 -71.5382     523 -71.5749     524 -71.4885     525 -71.5279
     526 -71.4492     527 -71.6101     528 -71.5290     529 -71.1643     530 -71.4980
     531 -76.8745     532 -76.7927     533 -76.8317     534 -76.7279     535 -76.5984
     536 -76.4863     537 -76.8771     538 -76.7789     539 -76.9524     540 -76.6708
     541 -76.7529     542 -76.6706     543 -76.6624     544 -76.6883     545 -76.8778
     546 -76.7699     547 -76.8340     548 -76.7861     549 -76.7184     550 -76.5902
     551 -76.6026     552 -76.5741     553 -76.7091     554 -76.6734     555 -76.7854
     556 -76.5568     557 -76.8271     558 -76.6115     559 -76.8346     560 -76.8236
     561 -76.7887     562 -76.6103     563 -76.8272     564 -76.7670     565 -76.7591
     566 -76.6706     567 -76.7804     568 -76.7070     569 -76.6132     570 -76.7258
     571 -76.9057     572 -76.7483     573 -76.8327     574 -76.6092     575 -76.5391
     576 -76.5539     577 -76.5574     578 -76.4515     579 -82.3257     580 -82.1832
     581 -82.2603     582 -82.4058     583 -82.3401     584 -82.2716     585 -82.4478
     586 -82.4976     587 -82.5736     588 -82.2069     589 -82.1317     590 -82.1883
     591 -82.3059     592 -82.2003     593 -82.2228     594 -82.6556     595 -82.4300
     596 -82.5488     597 -82.4262     598 -82.4638     599 -82.6111     600 -82.1945
     601 -82.1209     602 -82.2393     603 -82.3892     604 -82.3873     605 -82.4065
     606 -82.3758     607 -82.2185     608 -82.2907     609 -82.6950     610 -82.2567
     611 -82.3180     612 -82.4479     613 -82.2995     614 -82.2732     615 -82.5774
     616 -82.4121     617 -82.3888     618 -82.5293     619 -82.6198     620 -82.6264
     621 -82.1299     622 -82.3883     623 -82.2990     624 -82.1989     625 -82.1684
     626 -82.1943     627 -82.2197     628 -82.2662     629 -82.3138     630 -82.3670
     631 -82.5080     632 -82.2749     633 -82.4544     634 -82.3829     635 -82.4977
     636 -82.4065     637 -82.3786     638 -82.3049     639 -82.2485     640 -82.4888
     641 -82.4442     642 -82.3471     643 -82.4772     644 -82.3103     645 -82.4356
     646 -82.3433     647 -82.4419     648 -82.3571     649 -82.3885     650 -82.2515
 
 
 
 E-fermi :  -1.4830     XC(G=0):  -6.5402     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.0289      2.00000
      2     -28.9262      2.00000
      3     -28.8861      2.00000
      4     -28.8269      2.00000
      5     -28.8039      2.00000
      6     -28.7865      2.00000
      7     -28.7644      2.00000
      8     -28.7492      2.00000
      9     -28.7463      2.00000
     10     -28.7233      2.00000
     11     -28.7223      2.00000
     12     -28.7065      2.00000
     13     -28.6757      2.00000
     14     -28.6755      2.00000
     15     -28.6671      2.00000
     16     -28.6346      2.00000
     17     -28.6237      2.00000
     18     -28.6101      2.00000
     19     -28.5908      2.00000
     20     -28.5844      2.00000
     21     -28.5630      2.00000
     22     -28.5470      2.00000
     23     -28.5031      2.00000
     24     -28.4135      2.00000
     25     -26.7061      2.00000
     26     -26.6508      2.00000
     27     -26.6333      2.00000
     28     -26.5780      2.00000
     29     -26.5726      2.00000
     30     -26.5613      2.00000
     31     -26.5333      2.00000
     32     -26.5260      2.00000
     33     -26.5238      2.00000
     34     -26.5054      2.00000
     35     -26.4979      2.00000
     36     -26.4936      2.00000
     37     -26.4898      2.00000
     38     -26.4758      2.00000
     39     -26.4757      2.00000
     40     -26.4480      2.00000
     41     -26.4459      2.00000
     42     -26.4404      2.00000
     43     -26.4350      2.00000
     44     -26.4070      2.00000
     45     -26.4059      2.00000
     46     -26.4040      2.00000
     47     -26.3990      2.00000
     48     -26.3928      2.00000
     49     -26.3897      2.00000
     50     -26.3835      2.00000
     51     -26.3686      2.00000
     52     -26.3556      2.00000
     53     -26.3555      2.00000
     54     -26.3351      2.00000
     55     -26.3341      2.00000
     56     -26.3302      2.00000
     57     -26.3194      2.00000
     58     -26.3154      2.00000
     59     -26.3147      2.00000
     60     -26.2861      2.00000
     61     -26.2855      2.00000
     62     -26.2719      2.00000
     63     -26.2547      2.00000
     64     -26.2443      2.00000
     65     -26.2340      2.00000
     66     -26.2217      2.00000
     67     -26.2185      2.00000
     68     -26.1956      2.00000
     69     -26.1890      2.00000
     70     -26.1823      2.00000
     71     -26.1798      2.00000
     72     -26.1277      2.00000
     73     -23.2668      2.00000
     74     -23.2367      2.00000
     75     -23.2095      2.00000
     76     -23.1977      2.00000
     77     -23.1861      2.00000
     78     -23.1788      2.00000
     79     -23.1669      2.00000
     80     -23.1558      2.00000
     81     -23.1434      2.00000
     82     -23.1424      2.00000
     83     -23.1176      2.00000
     84     -23.1079      2.00000
     85     -23.0887      2.00000
     86     -23.0871      2.00000
     87     -23.0860      2.00000
     88     -23.0596      2.00000
     89     -23.0578      2.00000
     90     -23.0325      2.00000
     91     -23.0008      2.00000
     92     -22.9932      2.00000
     93     -22.9369      2.00000
     94     -22.9012      2.00000
     95     -22.8960      2.00000
     96     -22.8739      2.00000
     97     -22.8401      2.00000
     98     -22.7959      2.00000
     99     -22.7953      2.00000
    100     -22.7919      2.00000
    101     -22.7700      2.00000
    102     -22.7600      2.00000
    103     -22.7516      2.00000
    104     -22.7385      2.00000
    105     -22.7200      2.00000
    106     -22.6951      2.00000
    107     -22.6619      2.00000
    108     -22.6526      2.00000
    109     -22.6462      2.00000
    110     -22.6312      2.00000
    111     -22.6298      2.00000
    112     -22.6069      2.00000
    113     -22.6052      2.00000
    114     -22.5627      2.00000
    115     -22.5443      2.00000
    116     -22.5305      2.00000
    117     -22.5297      2.00000
    118     -22.4401      2.00000
    119     -22.4385      2.00000
    120     -22.3588      2.00000
    121     -20.4607      2.00000
    122     -20.4384      2.00000
    123     -20.3979      2.00000
    124     -20.3847      2.00000
    125     -20.3796      2.00000
    126     -20.3711      2.00000
    127     -20.3675      2.00000
    128     -20.3620      2.00000
    129     -20.3527      2.00000
    130     -20.3327      2.00000
    131     -20.3079      2.00000
    132     -20.3027      2.00000
    133     -20.2936      2.00000
    134     -20.2829      2.00000
    135     -20.2738      2.00000
    136     -20.2723      2.00000
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   1277       0.9234     -0.00000
   1278       0.9536     -0.00000
   1279       0.9801     -0.00000
   1280       1.0048     -0.00000
   1281       1.0102     -0.00000
   1282       1.0583     -0.00000
   1283       1.1010     -0.00000
   1284       1.1240     -0.00000
   1285       1.2342     -0.00000
   1286       1.2662     -0.00000
   1287       1.2796     -0.00000
   1288       1.3289     -0.00000
   1289       1.4093     -0.00000
   1290       1.4174     -0.00000
   1291       1.4540     -0.00000
   1292       1.5115     -0.00000
   1293       1.5317     -0.00000
   1294       1.5690     -0.00000
   1295       1.6093     -0.00000
   1296       1.6114     -0.00000
   1297       1.6778     -0.00000
   1298       1.8328     -0.00000
   1299       1.8683     -0.00000
   1300       1.8866     -0.00000
   1301       1.9069     -0.00000
   1302       1.9308     -0.00000
   1303       1.9570     -0.00000
   1304       1.9969     -0.00000
   1305       2.0183     -0.00000
   1306       2.0329     -0.00000
   1307       2.0484     -0.00000
   1308       2.0588     -0.00000
   1309       2.1234     -0.00000
   1310       2.1248     -0.00000
   1311       2.1533     -0.00000
   1312       2.1609     -0.00000
   1313       2.1782     -0.00000
   1314       2.2008     -0.00000
   1315       2.2157     -0.00000
   1316       2.2289     -0.00000
   1317       2.2472     -0.00000
   1318       2.2630     -0.00000
   1319       2.2756     -0.00000
   1320       2.3053     -0.00000
   1321       2.3396     -0.00000
   1322       2.4220     -0.00000
   1323       2.4402     -0.00000
   1324       2.4453     -0.00000
   1325       2.4692     -0.00000
   1326       2.4982     -0.00000
   1327       2.5194     -0.00000
   1328       2.5326     -0.00000
   1329       2.5459     -0.00000
   1330       2.5584     -0.00000
   1331       2.5691     -0.00000
   1332       2.5770     -0.00000
   1333       2.5815     -0.00000
   1334       2.5963     -0.00000
   1335       2.6035     -0.00000
   1336       2.6277     -0.00000
   1337       2.6395     -0.00000
   1338       2.6489     -0.00000
   1339       2.6623     -0.00000
   1340       2.6742     -0.00000
   1341       2.6959     -0.00000
   1342       2.7066     -0.00000
   1343       2.7222     -0.00000
   1344       2.7861     -0.00000
   1345       2.7972     -0.00000
   1346       2.9661     -0.00000
   1347       2.9757     -0.00000
   1348       3.0295     -0.00000
   1349       3.0393     -0.00000
   1350       3.0491     -0.00000
   1351       3.0632     -0.00000
   1352       3.0662     -0.00000
   1353       3.0953     -0.00000
   1354       3.0985     -0.00000
   1355       3.1127     -0.00000
   1356       3.1559     -0.00000
   1357       3.1667     -0.00000
   1358       3.1727     -0.00000
   1359       3.1773     -0.00000
   1360       3.2214     -0.00000
   1361       3.2363     -0.00000
   1362       3.2704     -0.00000
   1363       3.4090     -0.00000
   1364       3.5155     -0.00000
   1365       3.5250     -0.00000
   1366       3.5866     -0.00000
   1367       3.6319     -0.00000
   1368       3.6814     -0.00000
   1369       3.7015     -0.00000
   1370       3.7539     -0.00000
   1371       3.7743     -0.00000
   1372       3.7990     -0.00000
   1373       3.8480      0.00000
   1374       3.8568      0.00000
   1375       3.8670      0.00000
   1376       3.8929      0.00000
   1377       3.9046      0.00000
   1378       3.9153      0.00000
   1379       3.9328      0.00000
   1380       3.9392      0.00000
   1381       3.9530      0.00000
   1382       3.9665      0.00000
   1383       3.9720      0.00000
   1384       3.9877      0.00000
   1385       4.0034      0.00000
   1386       4.0135      0.00000
   1387       4.0274      0.00000
   1388       4.0356      0.00000
   1389       4.0412      0.00000
   1390       4.0533      0.00000
   1391       4.0586      0.00000
   1392       4.0817      0.00000
   1393       4.0928      0.00000
   1394       4.1006      0.00000
   1395       4.1179      0.00000
   1396       4.1276      0.00000
   1397       4.1397      0.00000
   1398       4.1595      0.00000
   1399       4.1691      0.00000
   1400       4.1880      0.00000
   1401       4.1940      0.00000
   1402       4.2036      0.00000
   1403       4.2169      0.00000
   1404       4.2231      0.00000
   1405       4.2392      0.00000
   1406       4.2577      0.00000
   1407       4.2671      0.00000
   1408       4.2962      0.00000
   1409       4.3045      0.00000
   1410       4.3139      0.00000
   1411       4.3290      0.00000
   1412       4.3435      0.00000
   1413       4.3510      0.00000
   1414       4.3675      0.00000
   1415       4.3739      0.00000
   1416       4.3882      0.00000
   1417       4.4061      0.00000
   1418       4.4121      0.00000
   1419       4.4227      0.00000
   1420       4.4321      0.00000
   1421       4.4342      0.00000
   1422       4.4522      0.00000
   1423       4.4737      0.00000
   1424       4.4825      0.00000
   1425       4.5049      0.00000
   1426       4.5079      0.00000
   1427       4.5283      0.00000
   1428       4.5513      0.00000
   1429       4.5816      0.00000
   1430       4.6043      0.00000
   1431       4.6190      0.00000
   1432       4.6359      0.00000
   1433       4.6696      0.00000
   1434       4.6895      0.00000
   1435       4.7260      0.00000
   1436       4.7680      0.00000
   1437       4.7691      0.00000
   1438       4.7798      0.00000
   1439       4.8094      0.00000
   1440       4.8350      0.00000
   1441       4.8544      0.00000
   1442       4.8621      0.00000
   1443       4.9010      0.00000
   1444       4.9137      0.00000
   1445       4.9289      0.00000
   1446       4.9409      0.00000
   1447       4.9450      0.00000
   1448       4.9728      0.00000
   1449       4.9946      0.00000
   1450       5.0064      0.00000
   1451       5.0431      0.00000
   1452       5.0448      0.00000
   1453       5.0555      0.00000
   1454       5.0773      0.00000
   1455       5.0842      0.00000
   1456       5.1058      0.00000
   1457       5.1432      0.00000
   1458       5.1492      0.00000
   1459       5.1561      0.00000
   1460       5.1738      0.00000
   1461       5.1871      0.00000
   1462       5.1997      0.00000
   1463       5.2239      0.00000
   1464       5.2429      0.00000
   1465       5.2445      0.00000
   1466       5.2472      0.00000
   1467       5.2564      0.00000
   1468       5.2729      0.00000
   1469       5.2914      0.00000
   1470       5.3014      0.00000
   1471       5.3047      0.00000
   1472       5.3199      0.00000
   1473       5.3378      0.00000
   1474       5.3432      0.00000
   1475       5.3563      0.00000
   1476       5.3580      0.00000
   1477       5.3650      0.00000
   1478       5.3778      0.00000
   1479       5.3869      0.00000
   1480       5.3941      0.00000
   1481       5.4021      0.00000
   1482       5.4143      0.00000
   1483       5.4182      0.00000
   1484       5.4280      0.00000
   1485       5.4389      0.00000
   1486       5.4456      0.00000
   1487       5.4529      0.00000
   1488       5.4595      0.00000
   1489       5.4787      0.00000
   1490       5.4861      0.00000
   1491       5.4894      0.00000
   1492       5.5061      0.00000
   1493       5.5106      0.00000
   1494       5.5163      0.00000
   1495       5.5267      0.00000
   1496       5.5274      0.00000
   1497       5.5342      0.00000
   1498       5.5457      0.00000
   1499       5.5576      0.00000
   1500       5.5700      0.00000
   1501       5.5739      0.00000
   1502       5.5827      0.00000
   1503       5.5874      0.00000
   1504       5.6008      0.00000
   1505       5.6020      0.00000
   1506       5.6165      0.00000
   1507       5.6233      0.00000
   1508       5.6302      0.00000
   1509       5.6410      0.00000
   1510       5.6585      0.00000
   1511       5.6630      0.00000
   1512       5.6731      0.00000
   1513       5.6749      0.00000
   1514       5.6867      0.00000
   1515       5.7047      0.00000
   1516       5.7179      0.00000
   1517       5.7253      0.00000
   1518       5.7287      0.00000
   1519       5.7367      0.00000
   1520       5.7378      0.00000
   1521       5.7547      0.00000
   1522       5.7577      0.00000
   1523       5.7578      0.00000
   1524       5.7750      0.00000
   1525       5.7757      0.00000
   1526       5.7986      0.00000
   1527       5.8030      0.00000
   1528       5.8209      0.00000
   1529       5.8289      0.00000
   1530       5.8410      0.00000
   1531       5.8423      0.00000
   1532       5.8552      0.00000
   1533       5.8639      0.00000
   1534       5.8724      0.00000
   1535       5.8760      0.00000
   1536       5.8909      0.00000
   1537       5.8986      0.00000
   1538       5.9084      0.00000
   1539       5.9238      0.00000
   1540       5.9267      0.00000
   1541       5.9470      0.00000
   1542       5.9489      0.00000
   1543       5.9589      0.00000
   1544       5.9635      0.00000
   1545       5.9765      0.00000
   1546       5.9829      0.00000
   1547       5.9938      0.00000
   1548       6.0053      0.00000
   1549       6.0205      0.00000
   1550       6.0228      0.00000
   1551       6.0307      0.00000
   1552       6.0329      0.00000
   1553       6.0440      0.00000
   1554       6.0558      0.00000
   1555       6.0748      0.00000
   1556       6.0760      0.00000
   1557       6.0863      0.00000
   1558       6.0892      0.00000
   1559       6.1008      0.00000
   1560       6.1066      0.00000
   1561       6.1105      0.00000
   1562       6.1266      0.00000
   1563       6.1373      0.00000
   1564       6.1428      0.00000
   1565       6.1541      0.00000
   1566       6.1577      0.00000
   1567       6.1765      0.00000
   1568       6.1774      0.00000
   1569       6.1827      0.00000
   1570       6.1960      0.00000
   1571       6.2086      0.00000
   1572       6.2134      0.00000
   1573       6.2208      0.00000
   1574       6.2306      0.00000
   1575       6.2383      0.00000
   1576       6.2477      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.085  13.409  -0.001   0.001  -0.000   0.001  -0.004   0.000
 13.409  17.827  -0.001   0.002  -0.000   0.002  -0.005   0.000
 -0.001  -0.001  -4.230   0.003   0.000   8.273  -0.004  -0.000
  0.001   0.002   0.003  -4.231   0.001  -0.004   8.273  -0.001
 -0.000  -0.000   0.000   0.001  -4.223  -0.000  -0.001   8.264
  0.001   0.002   8.273  -0.004  -0.000 -18.310   0.007   0.000
 -0.004  -0.005  -0.004   8.273  -0.001   0.007 -18.307   0.001
  0.000   0.000  -0.000  -0.001   8.264   0.000   0.001 -18.300
 total augmentation occupancy for first ion, spin component:           1
  8.524  -3.847   0.181   0.124  -0.046   0.023   0.023  -0.008
 -3.847   1.809  -0.093  -0.085   0.026  -0.010  -0.014   0.004
  0.181  -0.093   1.784  -0.061  -0.029   0.169  -0.012  -0.005
  0.124  -0.085  -0.061   1.909  -0.105  -0.011   0.179  -0.015
 -0.046   0.026  -0.029  -0.105   1.232  -0.005  -0.015   0.082
  0.023  -0.010   0.169  -0.011  -0.005   0.018  -0.002  -0.001
  0.023  -0.014  -0.012   0.179  -0.015  -0.002   0.018  -0.002
 -0.008   0.004  -0.005  -0.015   0.082  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -48350.41667 81166.39626 17472.45153 -8926.74018  6145.69275 17059.36779
  Hartree  7429.61930108135.10678 55260.14507 -9339.92846  4104.19941 11296.80307
  E(xc)  -10737.43843-10589.75527-10631.92321     2.56410     8.36961    33.82107
  Local    7494.38811************************ 18261.44058-10265.20510-27733.81031
  n-local -5844.23461 -5986.53584 -6041.16919     7.06225    16.05955   -67.51163
  augment  1492.57844  1534.90173  1486.93705     4.54934    12.17604    -4.52040
  Kinetic 45474.37963 43290.51861 43674.48880   -33.47411   -68.87345  -592.81377
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -133.2655188   -367.4761274   -143.2328710    -24.5264729    -47.5811927     -8.6641835
  in kB      -22.2230920    -61.2795857    -23.8852277     -4.0899857     -7.9345447     -1.4448220
  external PRESSURE =     -35.7959685 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.209E+03 -.102E+03 0.231E+03   0.209E+03 0.103E+03 -.232E+03   -.475E-01 -.567E+00 0.135E+01   0.349E-03 0.128E-03 -.191E-03
   -.167E+03 -.128E+03 0.511E+02   0.167E+03 0.129E+03 -.507E+02   0.250E+00 -.127E+01 -.422E+00   0.247E-03 0.612E-04 -.526E-04
   -.134E+03 -.119E+03 0.526E+01   0.133E+03 0.121E+03 -.366E+01   0.383E+00 -.131E+01 -.153E+01   0.245E-03 -.128E-04 -.331E-04
   -.199E+03 -.893E+02 0.322E+03   0.200E+03 0.894E+02 -.325E+03   -.378E+00 0.184E+00 0.241E+01   0.488E-03 0.119E-03 -.443E-03
   -.154E+03 -.140E+03 0.289E+03   0.154E+03 0.141E+03 -.290E+03   -.324E-01 -.740E+00 0.119E+01   0.423E-03 0.445E-05 -.437E-03
   -.124E+03 -.106E+03 0.167E+03   0.124E+03 0.107E+03 -.167E+03   0.966E-01 -.169E+00 0.385E+00   0.286E-03 -.739E-04 -.166E-03
   -.213E+03 -.124E+03 0.157E+03   0.212E+03 0.129E+03 -.158E+03   0.382E+00 -.435E+01 0.876E+00   0.330E-03 0.122E-03 -.139E-03
   -.166E+03 -.999E+02 0.292E+02   0.166E+03 0.104E+03 -.311E+02   -.485E+00 -.414E+01 0.203E+01   0.199E-03 0.958E-04 -.134E-04
   -.860E+02 0.282E+01 0.195E+03   0.859E+02 -.284E+01 -.196E+03   0.140E+00 -.560E-01 0.315E+00   0.229E-03 -.162E-03 -.986E-04
   -.695E+02 0.890E+02 0.599E+02   0.692E+02 -.907E+02 -.588E+02   0.364E+00 0.169E+01 -.995E+00   0.199E-03 -.135E-03 0.602E-04
   -.710E+02 0.101E+03 0.124E+03   0.707E+02 -.103E+03 -.124E+03   0.299E+00 0.121E+01 0.144E-01   0.165E-03 -.562E-04 0.105E-03
   -.875E+02 -.840E+01 0.325E+03   0.876E+02 0.819E+01 -.326E+03   -.154E+00 0.232E+00 0.123E+01   0.244E-03 -.221E-03 -.224E-03
   -.949E+02 -.513E+02 0.352E+03   0.951E+02 0.523E+02 -.354E+03   -.289E+00 -.113E+01 0.226E+01   0.191E-03 -.132E-03 -.854E-04
   -.910E+02 0.136E+02 0.288E+03   0.911E+02 -.135E+02 -.290E+03   0.904E-01 0.419E-02 0.150E+01   0.140E-03 -.308E-04 0.401E-04
   -.874E+02 0.910E+02 0.252E+03   0.867E+02 -.950E+02 -.255E+03   0.577E+00 0.377E+01 0.250E+01   0.108E-03 0.439E-04 0.412E-04
   -.646E+02 0.107E+03 0.930E+02   0.645E+02 -.110E+03 -.966E+02   0.108E+00 0.299E+01 0.361E+01   0.165E-03 -.662E-04 0.103E-03
   -.502E+02 0.923E+02 0.411E+02   0.508E+02 -.879E+02 -.367E+02   -.546E+00 -.466E+01 -.434E+01   0.122E-03 -.779E-05 -.626E-05
   0.146E+02 0.196E+03 -.156E+03   -.151E+02 -.198E+03 0.158E+03   0.537E+00 0.178E+01 -.215E+01   0.187E-03 -.748E-04 0.449E-04
   0.392E+02 0.152E+03 -.201E+03   -.396E+02 -.152E+03 0.203E+03   0.395E+00 0.201E+00 -.191E+01   0.187E-03 0.108E-04 0.105E-03
   -.569E+02 0.893E+02 0.173E+03   0.580E+02 -.884E+02 -.177E+03   -.107E+01 -.103E+01 0.330E+01   0.896E-04 0.664E-04 -.310E-04
   0.113E+02 0.519E+02 0.341E+01   -.124E+02 -.533E+02 -.192E+01   0.111E+01 0.152E+01 -.134E+01   0.941E-04 0.266E-04 -.460E-04
   0.295E+02 0.105E+02 -.118E+03   -.295E+02 -.108E+02 0.119E+03   0.399E-01 0.190E+00 -.104E+01   0.131E-03 -.259E-04 0.145E-04
   -.301E+01 -.451E+02 -.164E+03   0.359E+01 0.454E+02 0.163E+03   -.510E+00 -.991E-01 0.491E+00   0.149E-03 -.133E-03 0.332E-04
   -.204E+02 -.818E+02 -.216E+03   0.215E+02 0.835E+02 0.215E+03   -.994E+00 -.166E+01 0.105E+01   0.216E-03 -.183E-03 0.412E-04
   0.977E+00 -.164E+03 -.317E+03   -.154E+01 0.165E+03 0.319E+03   0.569E+00 -.714E+00 -.180E+01   0.288E-03 -.324E-03 0.241E-04
   -.840E+02 -.160E+03 -.145E+03   0.853E+02 0.160E+03 0.144E+03   -.125E+01 -.107E+00 0.149E+01   0.131E-03 -.142E-03 0.242E-05
   -.818E+02 -.267E+03 -.176E+03   0.824E+02 0.268E+03 0.176E+03   -.563E+00 -.873E+00 0.339E+00   0.176E-03 -.240E-03 -.157E-04
   -.271E+02 -.261E+03 -.269E+03   0.270E+02 0.262E+03 0.269E+03   0.110E+00 -.125E+01 -.322E+00   0.289E-03 -.322E-03 -.191E-04
   -.391E+02 -.255E+02 -.210E+03   0.451E+02 0.334E+02 0.205E+03   -.592E+01 -.778E+01 0.475E+01   0.305E-03 -.158E-03 0.104E-03
   -.962E+00 0.485E+02 0.145E+02   -.322E+01 -.570E+02 -.924E+01   0.431E+01 0.851E+01 -.524E+01   0.642E-04 0.250E-04 -.264E-03
   -.158E+03 -.148E+02 -.555E+02   0.158E+03 0.149E+02 0.570E+02   -.143E+00 -.435E-01 -.157E+01   0.332E-04 -.193E-04 -.706E-06
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 -----------------------------------------------------------------------------------------------
   0.470E+02 0.880E+01 -.253E+02   -.784E-11 0.199E-11 0.301E-11   -.470E+02 -.882E+01 0.253E+02   0.660E-02 -.259E-02 0.178E-02
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.23856      3.16074      1.34969         0.099454     -0.147773     -0.045813
     12.99401      3.60368      2.64461        -0.018664      0.003098     -0.023888
     12.91334      4.96552      2.93950         0.013847      0.038937      0.070384
     13.32706      4.05908      0.29940        -0.025957      0.202712     -0.140195
     13.22397      5.42661      0.58437         0.004143     -0.025035      0.011711
     13.07201      5.92642      1.89932        -0.023905     -0.053253      0.236002
     13.34920      1.67689      1.34289        -0.102820      0.338949      0.238666
     12.81925      2.39274      3.50787        -0.043449     -0.089796      0.062382
     13.12998      7.40238      2.19167         0.031091     -0.081943      0.135647
     13.11086      7.89533      3.52348         0.061097     -0.027050      0.081269
     13.31899      9.25191      3.76167         0.014118     -0.072745     -0.117493
     13.29928      8.35713      1.15761        -0.009635      0.020515     -0.014110
     13.50134      9.72068      1.40284        -0.005830     -0.073307     -0.076527
     13.52168     10.14848      2.72109         0.140222      0.044693      0.015096
     13.77412     11.50151      3.27649        -0.112470     -0.169442     -0.058778
     13.39853     10.00818      5.04260        -0.036978      0.078482      0.036499
     13.73636     12.47549      5.62696        -0.019528     -0.182027      0.040572
     13.48775     12.31610      6.99565         0.008954     -0.203975     -0.042106
     13.56955     13.40314      7.86093         0.060719     -0.006900     -0.033157
     14.09032     13.76078      5.20475         0.032703     -0.066208      0.005441
     14.17182     14.84896      6.08056        -0.001341      0.159770      0.150663
     13.87969     14.72342      7.48418         0.052946     -0.090732     -0.312692
     13.93799     15.83697      8.49709         0.069399      0.217197      0.168362
     13.19219     15.93601      9.72454         0.076746      0.103579     -0.038268
     13.24261     17.10903     10.49762         0.005663      0.033603     -0.117921
     14.79899     16.93261      8.25311        -0.004283     -0.051559      0.078646
     14.80783     18.11164      8.99713         0.059779     -0.165410      0.084431
     13.99873     18.21586     10.12047        -0.003647     -0.057602      0.039519
     12.35776     14.83646     10.34367         0.109910      0.101861     -0.077346
     14.72364     16.08104      5.37996         0.132480     -0.048013      0.007925
      9.91842      3.83362      4.63454         0.028604      0.056814     -0.056977
      9.70117      4.75325      3.60720         0.033992     -0.059874      0.072316
      9.70254      6.13692      3.85863         0.025403      0.018307     -0.062388
     10.26458      4.27906      5.90900         0.024326      0.002859     -0.010614
     10.35758      5.65509      6.13447         0.006849      0.045881     -0.075130
     10.03568      6.62768      5.15356        -0.076901      0.111826     -0.185528
      9.74892      2.44497      4.10355         0.062067     -0.031530      0.213373
      9.55664      3.96527      2.32927        -0.023946      0.108366     -0.363385
     10.06680      8.10278      5.51368         0.049986     -0.044456     -0.059921
     10.06171      9.15272      4.55527         0.035834      0.090770     -0.015740
     10.14652     10.48698      4.97546        -0.014134     -0.007861      0.044708
     10.12512      8.50198      6.87445         0.045342     -0.074399      0.027032
     10.21125      9.83706      7.29359        -0.052176     -0.078348     -0.016723
     10.22027     10.83447      6.32383        -0.038012     -0.129954      0.051632
     10.28627     12.31767      6.46005         0.072278     -0.369931     -0.462514
     10.21350     11.75590      4.18333         0.168117      0.100970     -0.008099
     10.69054     14.20895      4.79548         0.032230     -0.177722     -0.060415
     11.23998     14.54953      3.55670        -0.088832      0.014077     -0.041554
     11.61044     15.86331      3.27681         0.129180      0.005062     -0.000459
     10.55320     15.26577      5.70865         0.002401      0.104867     -0.009902
     10.97604     16.58706      5.43303         0.029214      0.010162      0.225668
     11.55798     16.96181      4.15807         0.005390      0.060848      0.071257
     12.07986     18.33516      3.70245        -0.051251     -0.025137     -0.014408
     12.70157     18.72106      2.44807         0.222459     -0.070689     -0.195710
     12.98496     20.06898      2.15909         0.176084     -0.085074     -0.116666
     11.93006     19.44572      4.56043        -0.079295     -0.165633      0.042283
     12.22859     20.77359      4.28566        -0.029663      0.107795     -0.027993
     12.73734     21.13048      3.03846         0.003373      0.158178      0.027634
     13.24455     17.81936      1.31828        -0.127481     -0.076706      0.054786
     10.77198     17.50448      6.64116         0.037187      0.015762      0.059385
     10.70747      7.06077     14.91572         0.043334     -0.245811      0.025274
     10.66353      7.49357     16.23653        -0.101831     -0.175689      0.309270
     10.67757      8.85695     16.55149        -0.056023      0.205182     -0.049725
     10.71848      7.96973     13.87227        -0.007101      0.303250     -0.082247
     10.69794      9.33405     14.17897         0.036117     -0.039122     -0.046118
     10.70767      9.82852     15.50255         0.006329     -0.200460      0.259942
     10.65060      5.57111     14.86478        -0.030317      0.657590      0.432685
     10.50012      6.25700     17.11271         0.062785      0.082626     -1.463982
     10.73709     11.31543     15.74242        -0.005181      0.081265      0.084309
     10.80627     11.90001     17.03922        -0.003362     -0.095191     -0.019054
     10.85277     13.28946     17.16296         0.045291     -0.105778      0.000770
     10.71233     12.20976     14.63830        -0.007206     -0.073998     -0.003939
     10.79867     13.59882     14.76958         0.006412     -0.178268     -0.121396
     10.87123     14.12215     16.04857         0.064849      0.148109     -0.038700
     10.95070     15.53926     16.48354        -0.077491     -0.096134      0.099187
     10.87919     14.15921     18.37773         0.027329      0.111749      0.086236
     10.83061     16.69284     18.72659        -0.071817     -0.001341      0.102316
     10.05778     16.70838     19.88120        -0.047763     -0.127503     -0.114891
      9.85070     17.88794     20.59058         0.089821     -0.024745     -0.096097
     11.45345     17.89995     18.40019         0.072732      0.125045     -0.028301
     11.29689     19.07885     19.16470         0.231830      0.033646     -0.172857
     10.42707     19.14476     20.32357        -0.032958      0.055063      0.039770
     10.08702     20.33907     -0.00366        -0.057171      0.002665      0.193832
      9.35160     20.30573      1.25323        -0.012541     -0.110813      0.059257
      9.16673      0.18595      2.06731         0.094463      0.010561     -0.113606
     10.49397      0.40082     20.95941        -0.000270     -0.000283      0.077758
     10.34158      1.52525      0.52727         0.022019      0.035957     -0.140571
      9.69481      1.44777      1.76052        -0.015719      0.093630      0.051909
      8.70044     19.08418      1.89021        -0.124356     -0.050225     -0.154612
     12.21050     20.18833     18.64968         0.009776     -0.099447     -0.047817
      7.34111      7.68088     17.24718         0.069429     -0.083410      0.047716
      7.10058      8.59192     16.22148         0.081231      0.114865      0.045841
      7.05673      9.97256     16.48931         0.031855     -0.010975     -0.168750
      7.67688      8.11111     18.52489         0.034263      0.077562      0.014193
      7.70483      9.48684     18.76707         0.015660      0.029072     -0.008576
      7.34102     10.45901     17.79906        -0.039040      0.012184     -0.151833
      7.25743      6.29270     16.72212         0.045651      0.451960     -0.237251
      7.03460      7.79362     14.93809         0.144957      0.041191     -0.089237
      7.29166     11.92543     18.19251        -0.063820      0.131288     -0.137414
      7.07220     13.00386     17.28157         0.035046      0.064775     -0.067903
      7.08616     14.33109     17.73891         0.006398     -0.002428     -0.077263
      7.47369     12.29290     19.55007         0.014054      0.083344      0.014346
      7.43731     13.61673     20.01365        -0.078001     -0.220818      0.020231
      7.23631     14.63747     19.09194        -0.045624      0.101838     -0.015965
      7.17284     16.12319     19.27652         0.056872     -0.302692     -0.408187
      7.02360     15.64185     16.98662         0.124097     -0.030072      0.331258
      7.51594     18.07938     17.67622         0.104499     -0.131799     -0.047599
      8.40907     18.41498     16.65958         0.096946      0.050015     -0.085013
      8.85626     19.72717     16.49256         0.032275     -0.009670      0.139150
      7.04526     19.15556     18.43380        -0.055055      0.147317      0.058614
      7.45611     20.49825     18.22758        -0.064637      0.052133      0.194549
      8.45815     20.85453     17.24315         0.077975      0.041986     -0.079547
      9.08837      0.98105     16.92897        -0.184904     -0.054910      0.006594
      9.91047      1.38612     15.81168         0.117913      0.077548     -0.242210
     10.36792      2.71169     15.65007         0.054670     -0.243450     -0.110920
      8.85065      2.07496     17.77919         0.240873      0.102688      0.257718
      9.29305      3.39282     17.61418        -0.123047     -0.059724      0.092045
     10.05000      3.76612     16.51102         0.152534     -0.120246     -0.116667
     10.44361      0.53545     14.66890         0.131050     -0.296359     -0.322138
      6.71476      0.20986     19.15024         0.236409     -0.001201      0.009299
      6.85893     10.80322      6.36061        -0.003896     -0.067604      0.085463
      6.89552     11.26431      7.67361         0.035074      0.052586     -0.017158
      6.94816     12.63761      7.97253         0.055180      0.005928      0.025654
      6.88304     11.71479      5.30994        -0.024288      0.173010     -0.071456
      6.92786     13.08681      5.60680        -0.026980     -0.040109     -0.004554
      6.95714     13.61021      6.92524         0.036746     -0.072937      0.196517
      6.86186      9.30644      6.35645        -0.077470      0.021119      0.073035
      6.91032     10.05441      8.56868        -0.000090     -0.043857      0.148534
      7.02450     15.11813      7.15864         0.080303     -0.078876      0.141277
      7.18203     15.71703      8.44285         0.082178     -0.041799      0.062536
      7.28181     17.11248      8.56522         0.009840     -0.029115     -0.036225
      6.99967     16.01926      6.06009         0.033927     -0.073469     -0.072815
      7.09610     17.41130      6.18545        -0.028723     -0.245607     -0.152378
      7.21098     17.95060      7.45634        -0.029019      0.035227      0.019699
      7.34842     19.37472      7.87414         0.030281      0.118061      0.034285
      7.55609     17.98365      9.75737         0.061294      0.069198      0.103076
      7.79004     20.50446     10.12304        -0.094292     -0.021344      0.088044
      7.25523     20.49839     11.40745        -0.019509     -0.013441      0.080897
      7.23202      0.38942     12.18903        -0.071821     -0.001429     -0.013028
      8.45958      0.42305      9.76668         0.038951      0.060600     -0.074345
      8.57397      1.53635     10.63509         0.220296      0.177851     -0.278987
      7.84699      1.61738     11.87973        -0.070457     -0.074074     -0.104356
      7.62601      2.82106     12.79319        -0.313269     -0.161413      0.533715
      6.99257      2.81908     14.11209         0.029056     -0.114738     -0.261349
      6.79068      4.01268     14.82141         0.045153      0.122573      0.049876
      7.96093      4.12465     12.37920         0.065593      0.191234      0.134769
      7.84609      5.29891     13.14920         0.029260     -0.043736     -0.251890
      7.25509      5.26977     14.40900         0.016660     -0.037337      0.075751
      6.35754      1.65401     14.88797         0.046192     -0.181720     -0.096401
      9.61846      2.54865     10.14650        -0.147127     -0.160887      0.034932
      4.29604     11.58836     10.25020        -0.053428     -0.104056     -0.075496
      4.09395     12.45385      9.17881         0.018523     -0.089311      0.069544
      4.29982     13.83131      9.32781        -0.075613     -0.074613     -0.106463
      4.77415     12.05735     11.46871         0.009930     -0.008816      0.080173
      4.87204     13.43895     11.64421         0.021491     -0.020777      0.035620
      4.59054     14.36489     10.61266        -0.109894      0.056108     -0.228430
      3.87135     10.21474      9.87848        -0.007428      0.073219     -0.099530
      3.61526     11.62141      8.01446         0.046025     -0.111573      0.096755
      4.53508     15.84163     10.89852        -0.040601      0.034055     -0.157582
      4.08127     16.78245      9.92650         0.016649      0.102088      0.040065
      4.04142     18.14646     10.24492         0.094749     -0.009080      0.127837
      4.90724     16.34106     12.17081        -0.004602      0.043344     -0.024377
      4.77595     17.68712     12.51766         0.000393     -0.165718      0.013429
      4.34062     18.56852     11.54139        -0.018904     -0.074882     -0.012354
      4.22932     20.03421     11.63259        -0.009302     -0.285006     -0.359499
      3.83688     19.39274      9.41529         0.021570     -0.078675     -0.142230
      4.39953      0.60425      9.94344         0.072074     -0.006509     -0.025399
      4.98336      0.96091      8.72710         0.050440      0.151189     -0.017697
      5.52817      2.23567      8.56809         0.120816     -0.149649      0.123620
      4.27696      1.64792     10.86031        -0.007083      0.178224      0.030501
      4.72691      2.97803     10.63916        -0.092361      0.008784      0.143660
      5.49242      3.33152      9.46824         0.040834      0.085933      0.052063
      6.11693      4.69616      9.05841        -0.092703      0.135169     -0.021894
      6.56689      5.06550      7.73305        -0.056061     -0.027735     -0.202520
      6.80089      6.40396      7.34235        -0.043140     -0.196102     -0.012678
      6.16403      5.82130      9.93297        -0.048936     -0.079652     -0.234701
      6.36482      7.15975      9.53701         0.100241     -0.020209      0.165873
      6.64713      7.50611      8.20243         0.030642     -0.081921     -0.019527
      6.80880      4.09358      6.57651         0.027781     -0.013165     -0.002464
      4.05484      3.80021     11.74188        -0.001502     -0.162361      0.081660
      0.75603     14.04743      1.10175        -0.151585     -0.024857      0.037356
      1.49845     14.48620      2.19623        -0.035171     -0.012529     -0.094027
      1.54081     15.88124      2.48651        -0.020802     -0.138369      0.002499
      0.13295     14.91898      0.22261         0.053100      0.070540      0.019417
      0.26890     16.28272      0.45367         0.131671     -0.071043      0.070363
      0.92232     16.82405      1.59387        -0.019685     -0.057405      0.008064
      0.70971     12.57529      1.04154        -0.265972     -0.283186     -0.277004
      2.12631     13.19946      2.78685         0.021673      0.212670      0.013508
      0.89679     18.35262      1.73274         0.090100      0.000284      0.180664
      1.35591     19.10386      2.85795         0.023578     -0.021494     -0.003793
      1.25539     20.51162      2.85904        -0.000870     -0.011651     -0.059611
      0.36823     19.12223      0.65908         0.004668      0.011282      0.037123
      0.22698     20.51001      0.67790         0.040047     -0.115129     -0.040770
      0.67355     -0.06245      1.79357        -0.036708      0.213131      0.127172
      0.62554      1.40479      2.06710        -0.123235      0.039293     -0.067883
      1.71962      0.30164      3.83705         0.064344      0.064871      0.064875
      1.33703      2.86692      4.04575         0.075778     -0.114983      0.018872
      2.06399      2.97276      5.24099         0.031035      0.061035     -0.067739
      2.21253      4.19136      5.90291         0.062880      0.031437     -0.004621
      0.69112      4.05447      3.64353        -0.041224      0.120464      0.004114
      0.75942      5.25010      4.39880         0.214130      0.092022      0.194593
      1.60215      5.42043      5.55709         0.042185     -0.185049     -0.207722
      1.95346      6.69841      6.34701         0.065928      0.099159     -0.031812
      2.38795      6.72899      7.71296         0.124972     -0.096217      0.141599
      2.84208      7.88638      8.35709        -0.017772      0.104252     -0.061843
      2.01589      8.00288      5.77317        -0.077653     -0.033823     -0.014091
      2.47686      9.17183      6.41555         0.015384      0.018510     -0.176476
      2.92002      9.14271      7.74867         0.194235      0.104017      0.073525
      2.58493      5.53838      8.62238        -0.230947     -0.030007      0.075097
     -0.07816      6.37122      3.84541         0.009187      0.077659     -0.228040
      4.48211     14.19006      0.57719         0.039020     -0.100335     -0.087877
      3.91440     15.11106     -0.29474        -0.135059      0.175030     -0.205392
      3.98079     16.49756     -0.05723        -0.132448      0.051778     -0.038653
      5.10530     14.64315      1.73496         0.030562      0.143521      0.079000
      5.11397     16.01932      2.00431        -0.081857      0.143372     -0.093750
      4.56216     17.01178      1.14091        -0.084099      0.169190      0.028606
      4.28141     12.80631      0.04158        -0.038846      0.123271     -0.037364
      3.23955     14.32433     19.85754         0.037450     -0.159633      0.311768
      4.59364     18.50534      1.56267        -0.026510     -0.003500     -0.061610
      4.15297     19.63242      0.79113        -0.081684     -0.032700     -0.021008
      4.28140     20.94998      1.29572        -0.007380     -0.136825     -0.031954
      5.09793     18.83250      2.85041        -0.045349     -0.072090     -0.062078
      5.26775     20.13532      3.33374         0.061905     -0.243978      0.059430
      4.88521     21.19467      2.52703         0.100002     -0.065883      0.013649
      5.03805      1.39964      2.75462        -0.024510      0.050374     -0.048765
      3.84532      1.04035      0.76627        -0.069232      0.049761     -0.146819
      4.06109      3.47445      1.63314        -0.118086      0.305561     -0.187496
      3.24945      4.04458      0.63276        -0.047488     -0.024535      0.068937
      2.97656      5.41624      0.59836        -0.010986     -0.034260     -0.048829
      4.57574      4.41239      2.55048         0.048597     -0.209195      0.155305
      4.20426      5.77620      2.57352         0.055870      0.048207      0.048619
      3.36519      6.36555      1.57716         0.157086      0.154555     -0.106204
      2.93271      7.83847      1.54797        -0.172203      0.020965     -0.166770
      1.67260      8.36553      1.10930        -0.295994     -0.033138     -0.007195
      1.28751      9.69928      1.35731         0.029175     -0.085389     -0.151666
      3.77015      8.86134      2.04481         0.108741      0.190982      0.046957
      3.41079     10.20114      2.27716        -0.356795      0.106395     -0.149406
      2.11674     10.67352      1.94698         0.300543     -0.175549     -0.177419
      0.63631      7.59025      0.28134         0.147920      0.049174     -0.213563
      4.86185      6.47703      3.75719         0.099406      0.059036     -0.131771
     18.02125     17.32033     13.97068        -0.099949     -0.094425      0.017704
     18.96486     17.78832     14.87927         0.022062      0.027731      0.020907
     19.17229     19.15973     15.08213         0.024282      0.031363      0.097753
     17.33217     18.21604     13.16031        -0.034924      0.038575     -0.044872
     17.60491     19.58222     13.29908        -0.086744      0.015580     -0.024385
     18.46941     20.11165     14.28745         0.146193      0.035637      0.171478
     17.99436     15.82386     14.00397         0.157801      0.314346      0.081502
     19.68361     16.59163     15.43248         0.064940     -0.065348     -0.091143
     18.60891      0.35449     14.46354         0.075420     -0.025372      0.252901
     19.45310      0.94779     15.44399         0.045064      0.009456      0.113722
     19.49271      2.33886     15.59640         0.037725      0.047200     -0.008212
     17.84287      1.25712     13.68367        -0.069072     -0.032747     -0.062033
     17.88215      2.65109     13.83874        -0.096852     -0.158528     -0.099772
     18.71824      3.18823     14.81081        -0.073046      0.073668      0.043802
     18.94765      4.60929     15.22778         0.084542     -0.412827      0.086239
     20.29786      3.19415     16.53337         0.002516      0.009552      0.123878
     20.49642      5.73595     16.90840         0.224774     -0.111236     -0.006588
      0.57952      5.75020     17.28469         0.100646     -0.357292     -0.032972
      1.21208      6.91931     17.69701        -0.030335      0.132134      0.039780
     19.81428      6.93101     17.14858        -0.270931     -0.009679     -0.144622
     20.41161      8.07721     17.70861         0.234419      0.355783      0.231037
      0.58063      8.15007     17.96865        -0.183207      0.014945     -0.189969
      1.41109      9.33154     18.50367         0.075402      0.176048      0.024972
      2.76641      9.34502     19.02359         0.274928     -0.169905     -0.100947
      3.36622     10.54282     19.47178         0.303417     -0.148251      0.022017
      0.84942     10.63221     18.51868        -0.066015      0.082908     -0.052901
      1.43325     11.80256     19.02647         0.269858     -0.153159      0.055038
      2.73567     11.78142     19.54456        -0.147697      0.159809      0.008041
      3.88220      8.26694     19.04106        -0.083315     -0.032773     -0.084954
     19.38209      9.17054     18.02415         0.100490     -0.144243      0.037786
      1.66125     18.35671     14.16046         0.098553     -0.007172     -0.162298
      0.99607     19.25714     13.32660        -0.068159      0.094719      0.136297
      1.05272     20.63364     13.54494        -0.016008     -0.079257     -0.075989
      2.41973     18.80855     15.23640        -0.121757     -0.063632      0.035686
      2.46296     20.18364     15.46967        -0.063868     -0.013348      0.004399
      1.79880     21.12297     14.64743        -0.141897      0.117474     -0.066357
      1.41129     16.97575     13.67576         0.007630      0.078066      0.080786
      0.23846     18.47181     12.30592         0.061363     -0.226884      0.146646
      1.93554      1.32490     14.92603        -0.170402      0.018136     -0.190596
      1.42393      2.31008     14.04652         0.010926      0.000329     -0.025106
      1.70409      3.64877     14.29275        -0.073340      0.122300      0.144353
      2.59673      1.78108     16.08436         0.131530      0.021534      0.210111
      2.94586      3.11915     16.28379         0.044963     -0.147916      0.120537
      2.53219      4.04810     15.34055         0.041599     -0.169708      0.012636
      2.74103      5.51579     15.27462        -0.333768     -0.629490     -0.350116
      1.19003      4.87709     13.63886        -0.680087      0.281895     -0.641600
      1.40104      7.34637     14.21005        -0.070760     -0.091692     -0.029576
      0.07318      7.64525     13.92604         0.077351     -0.005019      0.030226
     20.87500      8.94450     14.07816        -0.064223     -0.049742      0.027733
      2.23463      8.42241     14.53702         0.033943      0.081773     -0.004901
      1.76888      9.74860     14.64367        -0.043065      0.085039      0.106193
      0.36015     10.07327     14.46569         0.070386      0.133757      0.042832
     20.87145     11.40928     14.62268        -0.016095     -0.105275     -0.013766
     19.47188     11.68107     14.32236        -0.286886     -0.154587     -0.018962
     18.93087     12.97559     14.42827        -0.042559     -0.084939      0.112516
      0.27891     12.56395     15.09804        -0.012713     -0.094368     -0.067263
     -0.25857     13.84889     15.18020         0.024420      0.119466      0.104410
     19.67163     14.09295     14.82932         0.070354      0.163520     -0.028161
     18.35196     10.67967     13.95401         0.061440     -0.076089     -0.002920
      2.88553     10.71459     15.02911        -0.061819      0.024955      0.105680
     16.45995      0.43531      5.27731        -0.050103     -0.061192      0.024882
     16.95639      0.77129      6.53409        -0.023560      0.009333     -0.023226
     16.81931      2.07767      7.04034        -0.035503      0.033470     -0.062996
     15.85430      1.37394      4.47082        -0.040985      0.157176     -0.059684
     15.76095      2.67892      4.94801         0.005141     -0.028107      0.080943
     16.21690      3.08928      6.22656         0.087831      0.092735      0.119240
     16.77508     20.29199      4.93562         0.102495      0.135605      0.212636
     17.70383     20.81728      7.03059        -0.134456     -0.043939     -0.144060
     16.16539      4.58412      6.54987         0.049495     -0.033003      0.112593
     16.60658      5.21841      7.75279        -0.029046     -0.030734     -0.026254
     16.65383      6.62608      7.82337        -0.120287     -0.038827     -0.015868
     15.71993      5.45909      5.52403        -0.040395      0.028241     -0.006805
     15.79529      6.85087      5.58698        -0.089379     -0.129148     -0.044357
     16.27509      7.43020      6.75022        -0.069605      0.053464      0.058699
     16.50479      8.86682      7.06388        -0.087721      0.151351     -0.088890
     17.15987      7.54885      8.89852        -0.068720      0.063376      0.038804
     17.60632     10.08767      9.00753        -0.005896     -0.070165      0.033598
     18.62296      9.99866      9.95816        -0.134265     -0.121092      0.082941
     19.23007     11.13523     10.48746         0.118336      0.184026      0.167201
     17.20565     11.39660      8.69708        -0.026124      0.045463      0.014189
     17.83984     12.54025      9.23252         0.017652      0.190384     -0.019037
     18.94025     12.47014     10.15964        -0.033323     -0.099920     -0.061757
     19.74151     13.61699     10.80156         0.158909      0.008459      0.102433
     21.08517     13.57735     11.34786        -0.180347      0.067086     -0.043177
      0.43089     14.72087     11.90368        -0.065528      0.055209     -0.074648
     19.16013     14.89792     10.95448        -0.058101     -0.050647      0.048129
     19.78533     16.03676     11.47419        -0.202949      0.015054     -0.058783
     21.08222     15.97122     11.97316         0.063205      0.031151     -0.012333
      0.87328     12.47392     11.29915         0.106566     -0.093854     -0.114584
     17.17965     13.82401      8.78159        -0.089650     -0.100110      0.082040
     20.22196      1.56504      6.28392         0.023714     -0.010690     -0.002003
     19.61533      2.57995      5.53324         0.061503     -0.124918      0.023099
     19.47121      3.86053      6.02072        -0.078220      0.092094     -0.008944
     20.68553      1.82009      7.56908         0.011400     -0.123573     -0.060313
     20.53960      3.11725      8.06599        -0.087013      0.143979      0.069277
     19.95078      4.16945      7.31359        -0.001503      0.037480      0.100868
     20.26390      0.32827      5.45776         0.035439      0.019017     -0.030345
     19.23202      2.03390      4.19779        -0.031959     -0.026332      0.076972
     19.95470      5.58929      7.77179        -0.065697     -0.022230     -0.031006
     19.49367      6.60676      6.90936         0.098087      0.153399      0.112568
     19.82058      7.93054      7.17894         0.105078      0.028184      0.132024
     -0.76457      5.99488      9.01436        -0.026646      0.005638      0.068358
     -0.47465      7.33101      9.30007         0.065540     -0.055352      0.051503
     20.54032      8.28535      8.31525        -0.176257     -0.330017     -0.122007
     -0.32983      9.69527      8.19375         0.699216      0.897119      0.596749
     19.59880      9.15656      6.36829        -0.447650      0.128875     -0.775851
     20.26758     11.60787      6.63270        -0.154328     -0.205296     -0.011935
     19.27920     12.04694      5.73746         0.042342     -0.013351      0.128601
     19.11527     13.39673      5.46923        -0.044853      0.199843      0.103250
     21.14303     12.58602      7.13675        -0.008986      0.091460     -0.038552
     20.98596     13.94865      6.82578         0.036869      0.202124      0.076360
     19.90015     14.42903      6.02875         0.002392     -0.112177      0.027382
     19.45760     15.86044      5.87935        -0.068868      0.120953     -0.198014
     18.79543     16.42980      4.74091        -0.016436     -0.116069      0.004656
     18.22044     17.70828      4.79854         0.034693     -0.035216     -0.086369
     19.54879     16.74188      6.98314        -0.024942     -0.030518     -0.015230
     19.02790     18.03371      7.02260        -0.089184      0.035498      0.010560
     18.29192     18.53334      5.93931        -0.028187     -0.017626     -0.045109
     18.56412     15.71008      3.40919         0.022222      0.042050      0.044104
      0.80136     14.87388      7.37647        -0.034492     -0.093534     -0.025211
     12.70449      5.27268      3.96682         0.070509     -0.021275     -0.037193
     13.44093      3.70547     20.53218         0.078440      0.037611     -0.002137
     13.25637      6.12012     21.00480         0.082282      0.010701     -0.034174
     12.95603      7.23963      4.38102         0.030487     -0.044173     -0.041295
     13.28420      8.03300      0.11990         0.039185     -0.043693     -0.085556
     13.65946     10.43904      0.59603        -0.036296     -0.091968     -0.062818
     13.44775     13.17174      8.90750        -0.072303     -0.025484      0.109122
     13.24336     11.32783      7.38130         0.060269      0.100734      0.098358
     14.30971     13.92193      4.15922         0.061000      0.001712     -0.090884
     12.65092     17.16600     11.40912         0.000548     -0.041089     -0.000883
     15.51965     16.86477      7.45055        -0.033744     -0.007984      0.051467
     15.46033     18.94069      8.70359         0.002392     -0.141624      0.007961
      9.43405      6.82652      3.05757         0.036943      0.002414     -0.068527
     10.45890      3.58366      6.72528         0.052999     -0.077617     -0.061233
     10.69475      5.98457      7.11586        -0.021650     -0.046928      0.066669
     10.01245      8.94811      3.48744        -0.002990     -0.072512     -0.100860
     10.08894      7.73717      7.65190         0.012479      0.042237     -0.014136
     10.27091     10.07953      8.35833        -0.035972      0.000604     -0.075942
     11.99928     16.01886      2.28700         0.070116     -0.063528     -0.114415
     11.39707     13.78835      2.80102        -0.003266     -0.005879     -0.165263
     10.14124     15.04596      6.68776         0.044496      0.048691     -0.002970
     13.45138     20.29589      1.20623        -0.059917     -0.005096      0.053769
     11.53867     19.29703      5.54858        -0.054513      0.095608     -0.078460
     12.01196      0.26718      5.03215         0.008936      0.042172      0.157404
     10.59676      9.17777     17.59220         0.100442     -0.080738      0.000313
     10.70538      7.64603     12.83377         0.040884     -0.101411     -0.082255
     10.65257     10.03734     13.34753         0.087334     -0.124458     -0.008549
     10.81948     11.29271     17.94806         0.002763     -0.015292     -0.078331
     10.62060     11.81704     13.62472         0.064010      0.055014      0.074081
     10.81350     14.24795     13.89365        -0.030729      0.000550     -0.043162
      9.15912     17.77190      0.13762        -0.096137     -0.025863      0.043533
      9.56610     15.79589     20.21108         0.048513      0.058749      0.124917
     12.08649     17.93725     17.51535        -0.048974      0.037618      0.119870
      8.61229      0.05662      2.98605        -0.014329      0.087572      0.152886
     10.96888      0.61048     20.01583         0.156159     -0.031780     -0.104229
     10.75773      2.47291      0.19298        -0.083786      0.053771     -0.130479
      6.81063     10.66532     15.68159         0.015495     -0.031744     -0.001946
      7.95329      7.39895     19.30670        -0.071676      0.040018     -0.054419
      8.03840      9.80877     19.75208        -0.077748     -0.031314      0.048824
      6.90445     12.83564     16.21663         0.071722     -0.108843     -0.035769
      7.64718     11.51880     20.29587        -0.054636      0.053531      0.029999
      7.57250     13.81602     -0.17912        -0.000729      0.052533     -0.092910
      9.58593     19.84853     15.71133         0.164973     -0.070459      0.014941
      8.81776     17.66028     15.99666         0.073579     -0.136478     -0.073918
      6.33730     18.95349     19.23036        -0.025825      0.027917      0.036735
     10.95652      2.90768     14.76332         0.026277      0.139209      0.084431
      8.30513      1.92598     18.69144        -0.138280      0.003428      0.063809
      8.95455      4.12882     18.32370         0.051699      0.158960      0.367557
      6.97173     12.93756      9.02080         0.093253      0.030299     -0.004813
      6.88225     11.38467      4.26785        -0.033914     -0.028201      0.067855
      6.95986     13.77478      4.76022        -0.021971     -0.081855      0.023116
      7.25965     15.10940      9.34619         0.025915     -0.029975     -0.026103
      6.95053     15.61855      5.04784        -0.043380      0.021431     -0.003273
      7.16885     18.05112      5.30274        -0.149306     -0.047452      0.027093
      6.65948      0.28284     13.09267        -0.038566      0.008741     -0.006770
      6.82542     19.58567     11.79991        -0.126401     -0.058817      0.117722
      8.91548      0.49426      8.78392         0.170801     -0.043014     -0.032435
      6.25733      3.95666     15.75889         0.039318      0.046158      0.097585
      8.35007      4.27065     11.38243         0.135942      0.016626     -0.080977
      8.24300      6.23010     12.75040        -0.095947      0.035017     -0.137730
      4.24099     14.48164      8.45614        -0.226528     -0.000695      0.024034
      5.01956     11.37191     12.28373        -0.114624      0.028212     -0.070561
      5.13376     13.80745     12.63483         0.029879     -0.043601      0.029724
      3.77110     16.44945      8.93760         0.016946      0.019464     -0.098745
      5.33366     15.68186     12.92322        -0.037249     -0.085081      0.035976
      5.05689     18.04702     13.51017        -0.012832     -0.066807     -0.036559
      6.06783      2.32021      7.65180         0.041605     -0.037208     -0.109527
      5.07688      0.26142      7.90213         0.063856     -0.106705     -0.023254
      3.79543      1.42136     11.80562        -0.057894      0.111375     -0.006310
      7.06775      6.57021      6.30529         0.046366      0.100275      0.022978
      5.99959      5.66743     10.99588        -0.066184      0.047006     -0.139442
      6.28333      7.94809     10.28277         0.044236     -0.113267      0.148702
      2.03317     16.24077      3.39499         0.069336     -0.085661     -0.076277
     -0.41942     14.54009     20.61871         0.002324      0.036063      0.057831
     -0.13888     16.93838     20.95110        -0.195297      0.006354      0.058765
      1.78573     18.60066      3.72449         0.012989      0.006132      0.069760
      0.04539     18.63492     21.00637        -0.067122     -0.059111     -0.095136
     -0.20586     -0.21457     21.09246        -0.016218      0.014249     -0.076826
      2.89504      4.14543      6.73583         0.002940      0.008104     -0.120316
      2.54129      2.09543      5.66283         0.172103     -0.022937      0.001840
      0.09419      4.06968      2.73442        -0.072825     -0.083784      0.040260
      3.15316      7.80788      9.38650         0.045548     -0.003294      0.127585
      1.72603      8.14432      4.73290         0.057074     -0.083422      0.063358
      2.52323     10.10558      5.85458        -0.078449     -0.074913     -0.071596
      3.55037     17.15948     20.45061        -0.087199      0.135128      0.006274
      5.53769     13.94246      2.45250         0.002521      0.022524     -0.036837
      5.56180     16.32212      2.94890         0.066138     -0.007127     -0.028635
      3.70955     19.50387     -0.19920         0.012321     -0.055549      0.020612
      5.40579     18.02817      3.51327         0.004533      0.007945      0.079080
      5.70121     20.30685      4.32167        -0.018832      0.004068     -0.021787
      2.45397      5.74825     -0.28862        -0.175615      0.006468      0.156717
      2.80129      3.40804     -0.12271         0.043213      0.030323     -0.169334
      5.27414      4.07527      3.30955        -0.082863     -0.102557      0.075365
      0.31249     10.00240      1.00418        -0.096219      0.016273      0.015691
      4.80449      8.60258      2.24814         0.101569      0.081757      0.065184
      4.16638     10.87706      2.66072         0.080416      0.075529      0.078283
     19.88170     19.47181     15.85249         0.008890      0.021315     -0.066497
     16.62979     17.86216     12.40093         0.005905      0.030127      0.044805
     17.12955     20.25875     12.59037        -0.112662     -0.012504      0.040257
     20.07242      0.34755     16.11004         0.037210     -0.103279     -0.010710
     17.16062      0.86005     12.93092         0.018711      0.064899      0.005460
     17.25043      3.28487     13.21169         0.061520      0.026203      0.050022
      2.27931      6.82798     17.82450        -0.004798      0.047027      0.035153
      1.13596      4.81333     17.25820         0.092802      0.187298     -0.064519
     18.76527      6.99228     16.89617        -0.220005     -0.031738     -0.008632
      4.40293     10.47449     19.78301        -0.111374      0.154022      0.102237
     -0.13198     10.77016     18.07978         0.133881      0.067248      0.100300
      0.86347     12.72023     19.01982        -0.213849      0.233264     -0.113650
      0.52454      0.04711     12.86142         0.039503     -0.086472      0.105773
      2.94375     18.10937     15.89249        -0.030055      0.009053     -0.051824
      3.03485     20.54678     16.32247         0.092102     -0.086151     -0.049980
      0.82948      2.05217     13.17079        -0.018476     -0.028755     -0.018013
      2.84234      1.07609     16.88084         0.122871      0.070024     -0.102281
      3.47859      3.41228     17.19061         0.077048      0.031815     -0.080589
     19.82606      9.02940     13.89910        -0.140243      0.033967      0.034518
     20.63602      6.86504     13.63555        -0.118246      0.007881     -0.000920
      3.27684      8.20331     14.74871        -0.006266      0.146355     -0.048396
     17.88350     13.11113     14.19189        -0.028689      0.036945     -0.033733
      1.30250     12.49194     15.43452         0.042897     -0.016343     -0.084274
      0.37800     14.67311     15.48699         0.104285     -0.099374      0.151983
     17.24328      2.31474      8.01836        -0.018673      0.039007      0.005640
     15.53014      1.10482      3.46454        -0.019667      0.044458      0.051742
     15.34749      3.40824      4.26003        -0.021506     -0.036814      0.002042
     16.93598      4.64349      8.62360         0.011105     -0.028432     -0.106835
     15.28479      5.03627      4.62162         0.149912      0.148909     -0.049898
     15.49371      7.45513      4.73209        -0.003609      0.042115      0.028625
     19.97886     10.95302     11.23892         0.001038     -0.042179     -0.057363
     18.93145      9.02173     10.30820         0.062246     -0.016944      0.171320
     16.37655     11.54732      8.01656        -0.014240      0.009342     -0.116241
      1.42792     14.61765     12.29872         0.114807      0.105339      0.043620
     18.12182     15.03667     10.68807        -0.088107     -0.024329      0.041866
     19.23713     16.97262     11.52516        -0.112025      0.025994     -0.129728
     18.99773      4.60581      5.38072         0.070044     -0.039301      0.022419
     -0.08068      1.02979      8.14806        -0.125677      0.168599     -0.025779
     -0.30750      3.32007      9.05240        -0.097557      0.050057      0.058720
     18.95854      6.38114      5.99539        -0.064616     -0.006697     -0.060087
     -0.51766      5.24288      9.76328        -0.040485      0.080769      0.060551
     -0.07140      7.61384     10.27022         0.212807     -0.023562      0.046035
     18.27638     13.66069      4.84043        -0.141555     -0.000555      0.007317
     18.59776     11.32700      5.30360        -0.125322     -0.029092     -0.120072
      0.69027     12.30161      7.79860         0.096367     -0.082831     -0.009111
     17.64892     18.03574      3.93764         0.060724      0.103878     -0.034008
     19.99417     16.38242      7.90550         0.051790      0.027011     -0.059939
     19.16855     18.65277      7.90396         0.002079     -0.094636      0.127054
     13.97670     19.12635     10.72035        -0.044870      0.019492      0.023463
     19.54744      0.05071      3.46082        -0.041385      0.046110      0.070978
     12.97442      1.24162      2.66240         0.039908     -0.151240     -0.104771
     13.63575     11.38484      4.69613         0.038233      0.072201      0.236318
      9.62907      2.56732      2.68104        -0.055901     -0.052271     -0.139446
     10.37464     12.83859      5.12758        -0.000511      0.129557     -0.139632
     10.41543      5.12521     16.19350        -0.009789      0.020317      0.460732
     10.91692     15.51863     17.90398         0.132744      0.034191      0.235282
      7.17119      6.40652     15.29739        -0.169303     -0.170082      0.053864
      7.20632     16.69055     17.96716        -0.139865      0.062117     -0.198179
      6.77707      8.87782      7.73176         0.022699      0.089825      0.079064
      7.63080     19.35077      9.27325         0.000521     -0.142892      0.053572
      3.44801     10.26476      8.49659         0.021823     -0.070852     -0.017085
      4.06934     20.51459     10.30195         0.000710      0.089129     -0.120120
      1.69214     12.07704      1.94690         0.002262     -0.140640      0.204527
      1.24000      1.60203      3.33830         0.164876      0.015644      0.306328
      3.39025     12.91609     20.18534        -0.057368      0.161053     -0.066220
      4.31682      2.05271      1.70990        -0.126178      0.011593     -0.288894
     19.11500     15.42105     14.81044        -0.097010      0.084674     -0.057229
     19.91187      4.56598     16.28329         0.070065      0.034588      0.205280
      0.48367     17.08650     12.59165        -0.070458     -0.104490      0.014175
      1.83745      5.99098     14.27543        -0.002474      0.049908     -0.028586
     17.63405     19.81314      5.97334        -0.053787     -0.149833      0.041336
     17.05097      8.90579      8.38099         0.132284      0.076754      0.223349
     19.62558      0.68737      4.25417        -0.057494     -0.159558     -0.241691
     20.30620     10.22444      7.02003        -0.066473      0.005216     -0.113320
     12.58567      2.36789      4.70737         0.157608      0.037108     -0.033660
     13.72668      0.98133      0.42025         0.067740     -0.139868     -0.095906
     13.27224      9.55596      6.16968         0.008097     -0.015243     -0.001295
     14.04199     12.50951      2.64337        -0.018195      0.080221     -0.014115
      9.45377      4.39117      1.18669        -0.024369     -0.094730      0.280204
      9.72953      1.39865      4.73121        -0.046433      0.109724     -0.126430
     10.16302     11.87779      2.96840        -0.061830      0.016047      0.010355
     10.25738     12.97196      7.48217        -0.070609      0.177741      0.318569
     10.43903      6.19519     18.31388        -0.013938     -0.144469      0.992422
     10.77056      4.87730     13.87803         0.113530     -0.357740     -0.606420
     10.86117     13.81940     19.54899         0.014726      0.009167      0.023203
     11.00184     16.54095     15.78840         0.028164      0.123596     -0.133243
      6.96857      8.20066     13.79107        -0.121625      0.082606     -0.039561
      7.27622      5.25935     17.36474        -0.171683     -0.127717      0.097436
      6.86173     15.82172     15.79511         0.017103      0.064422     -0.261550
      7.09484     16.74417     20.31901        -0.121296      0.144739      0.231413
      7.04610     10.03873      9.78217         0.004861     -0.041592     -0.049489
      6.96694      8.58273      5.37938        -0.123248      0.046818      0.146072
      7.70330     17.64482     10.92073         0.061554     -0.004706     -0.176523
      7.20124     20.37720      7.18732         0.164125     -0.162267      0.139397
      3.41200     11.97629      6.86849         0.015934     -0.041491     -0.099673
      3.87093      9.23788     10.61232        -0.021737      0.023237     -0.041535
      3.56031     19.48166      8.23151         0.129817      0.052757      0.139098
      4.27122     20.70852     12.64239        -0.028707      0.225681      0.378672
      2.85901     13.08695      3.75011         0.024011     -0.014837     -0.124332
     -0.06758     11.92522      0.34796         0.308795      0.201750      0.154278
      2.41146      0.14233      4.82675        -0.156973     -0.001262     -0.130447
      0.13391      2.27107      1.35666         0.162522     -0.123951      0.139304
      2.67188     14.75054     18.87313        -0.211064      0.072267     -0.249382
      4.80110     11.77440      0.44269         0.032451      0.100355      0.017007
      3.18103      1.27523     -0.23147         0.191574     -0.144787      0.133753
      5.69036      1.95378      3.62591        -0.052607     -0.109989      0.023236
     -0.64202     16.58652     16.21683         0.038565      0.024779      0.180684
     17.18262     15.09117     13.46919        -0.046071     -0.117470     -0.071035
     -0.13355      2.81889     17.35071        -0.191501      0.170448     -0.038694
     18.43279      5.61240     14.77127        -0.076280      0.284528     -0.053475
     20.79535     18.87938     11.40006        -0.205357      0.178090     -0.234635
      1.88916     15.93772     14.10572         0.037319     -0.049288      0.009555
      0.32640      4.96581     12.76171         0.611225     -0.051666      0.572601
      3.51777      6.18344     15.92502         0.441507      0.383494      0.197324
     18.28072     20.67853      8.09358        -0.005085     -0.040168      0.123013
     16.37507     19.67987      3.95715         0.084145     -0.020916     -0.056925
     17.59622      7.24659      9.99538        -0.113555      0.016018     -0.036513
     16.30419      9.83267      6.33859        -0.049218     -0.179096      0.268953
     18.69990      2.58758      3.24494         0.037610     -0.085251      0.153913
     20.74052     20.48359      5.69656        -0.080658      0.200876     -0.011728
     18.92720      9.24626      5.33979         0.526767     -0.030923      0.629773
      0.43183     10.32702      8.92783        -0.542560     -0.557625     -0.597623
     14.10257     17.25537      5.67120        -0.036024      0.036607      0.070059
     16.06544     16.25715      5.68571        -0.132423     -0.115618      0.047877
     14.70094     15.97830      4.02987        -0.072563     -0.061184     -0.066875
     11.65931     15.25304     11.44516        -0.095271     -0.015554     -0.005836
     11.44506     14.30679      9.49182        -0.150923     -0.061655      0.043430
     13.14573     13.79543     10.80504        -0.081577      0.002094      0.074142
     11.92750     18.08893      7.09646        -0.162430     -0.105135     -0.023272
      9.87835     18.52767      6.38424         0.108310     -0.081312      0.001748
     10.25907     16.86583      7.73598         0.024377     -0.079437     -0.111046
     13.79071     18.52102      0.28354        -0.020299      0.047787      0.025622
     14.23386     16.98434      1.73881        -0.137368     -0.078875      0.122120
     12.28151     17.03051      0.71849         0.108151      0.118317      0.007704
     11.52341      0.04670     18.23574         0.077162      0.075907      0.028792
     13.11271     -0.68696     19.59257        -0.115552      0.171374      0.043369
     12.95294     19.83325     17.55337        -0.035281     -0.089107      0.132684
      8.09506     19.34094      3.08614         0.135915      0.086115      0.254138
      7.68894     18.53984      1.12499         0.088906      0.177283      0.033944
      9.58810     18.07941      2.15745        -0.020180     -0.087165      0.004912
      7.54995      0.85534     20.04231        -0.178253     -0.159548      0.103527
      6.02410      1.17146     18.47846         0.106195      0.013722      0.095162
      5.78865     20.86010     19.94912        -0.050261     -0.186608     -0.068878
     10.93696      1.27529     13.61906         0.015483     -0.216081      0.219132
     11.49680     -0.26139     15.08017        -0.292278      0.030355     -0.087636
      9.51770     20.97147     14.07432         0.211625      0.087915      0.069004
      9.09159      3.68071      9.54989        -0.013733     -0.063559      0.056350
     10.42730      2.97116     11.15322        -0.039634      0.074102      0.097375
     10.45267      2.02077      9.19498        -0.046282     -0.027129      0.034296
      6.06167      2.00972     16.16279        -0.018302      0.056106      0.206491
      5.16901      1.22353     14.37070         0.009453      0.079516     -0.245348
      7.12660      0.51978     15.01490        -0.037906      0.301716     -0.181965
      4.26846      5.12929     11.87789         0.139408     -0.034370     -0.153330
      2.68345      3.65390     11.58347         0.186850      0.182171     -0.036153
      4.33763      3.27550     12.98410        -0.034730      0.132336     -0.229854
      7.38716      4.67467      5.49020        -0.163916      0.182713      0.019168
      7.68046      3.07394      6.91367        -0.134090      0.170589     -0.020248
      5.65825      3.52282      6.09563         0.127750     -0.026391      0.124401
     -0.56733      7.24086      4.75947         0.082775     -0.072244      0.214268
      0.67503      7.16016      3.02597         0.130384      0.061876      0.091644
     -1.16591      5.95271      3.13389         0.100570     -0.180659      0.016731
      2.79888      5.87631      9.92129        -0.293477      0.135577      0.010728
      1.57403      4.62019      8.65448        -0.013496     -0.008753     -0.187124
      3.70261      4.84855      8.25286         0.170775     -0.091918     -0.080904
      6.17944      6.76555      3.46401        -0.149131     -0.059330     -0.074076
      4.30284      7.63705      4.20611        -0.025058     -0.295419     -0.081069
      4.87373      5.65578      4.84370         0.024494      0.073199      0.133533
     -0.40718      8.38097     21.16195        -0.021192     -0.085232      0.119463
      1.21744      7.15805     -0.89313        -0.094870      0.157216      0.186354
      0.08007      6.47025      0.80091         0.041368     -0.175514      0.123938
     19.48697      9.67337     19.28620         0.065980     -0.031927     -0.068481
     19.46116     10.24348     17.16157        -0.034608     -0.033330      0.106694
     18.09697      8.71811     17.92056        -0.043741      0.025171     -0.020051
      4.82845      8.54449     19.99949         0.009339     -0.144083     -0.028338
      3.57254      6.95957     19.27969        -0.119801      0.172340     -0.030438
      4.55098      8.27789     17.83832        -0.219667      0.045709      0.038122
      3.03001     11.77668     14.18353        -0.102118     -0.022211      0.039090
      2.69374     11.23710     16.28828         0.157127      0.002869     -0.099368
      4.12673     10.13547     15.06655        -0.104740     -0.093244     -0.007925
     17.14183     11.26992     13.74073        -0.006691      0.160691      0.002791
     18.58250      9.96548     12.79901        -0.125838      0.075914      0.112980
     18.11832      9.75239     14.93026         0.052198     -0.028367      0.094725
     16.30384     14.28732      9.74809         0.114605      0.010355     -0.029933
     18.02815     14.84951      8.49595         0.128115     -0.004497     -0.002089
     16.44026     13.65860      7.65605         0.080887     -0.063096     -0.176625
      1.92275     12.73944     12.12704         0.169738      0.007602      0.046998
      0.51590     11.20986     11.66180        -0.080167     -0.028964     -0.098626
      1.41602     12.40666     10.04549        -0.170472      0.060591     -0.052029
      1.11359     15.88219      6.50819        -0.058472      0.028616      0.045682
      0.45392     15.46687      8.57658         0.091597     -0.044145     -0.089431
      1.97273     14.22560      7.63759        -0.184126      0.036292     -0.133832
     18.30217     16.57407      2.38419         0.131765      0.122916      0.045484
     19.63412     14.95892      3.00475         0.030871      0.036086      0.174285
     17.48175     14.85721      3.42786         0.003408      0.105351      0.034577
 -----------------------------------------------------------------------------------
    total drift:                                0.015031     -0.018735      0.025561


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4580.2072766173 eV

  energy  without entropy=    -4580.3616427796  energy(sigma->0) =    -4580.25873200
 
 d Force = 0.4588753E+00[ 0.142E+00, 0.776E+00]  d Energy = 0.4595391E+00-0.664E-03
 d Force = 0.7168214E+03[ 0.716E+03, 0.717E+03]  d Ewald  = 0.7168239E+03-0.252E-02


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.459539  1 .order   -0.458875   -0.775568   -0.142183
  (g-gl).g = 0.261E+01      g.g   = 0.262E+01  gl.gl    = 0.281E+01
 g(Force)  = 0.262E+01   g(Stress)= 0.000E+00 ortho     =-0.829E-02
 gamma     =   0.93063
 trial     =   0.29733
 opt step  =   0.36407  (harmonic =   0.36407) maximal distance =0.06406242
 next E    = -4580.222571   (d E  =  -0.47483)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   91(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3160
 total energy-change (2. order) : 0.5502806E-01  (-0.3509892E+01)
 number of electron    2497.9999989 magnetization 
 augmentation part      162.7278700 magnetization 

  free energy =  -0.458015223866E+04  energy without entropy=  -0.458030662245E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   91(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) :-0.7170371E-01  (-0.8703973E-01)
 number of electron    2497.9999989 magnetization 
 augmentation part      162.7264921 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8817
  0.8817

  free energy =  -0.458022394237E+04  energy without entropy=  -0.458037797628E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   91(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3704
 total energy-change (2. order) : 0.1745265E-02  (-0.1669581E-02)
 number of electron    2497.9999989 magnetization 
 augmentation part      162.7220129 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4345
  1.0553  1.8137

  free energy =  -0.458022219711E+04  energy without entropy=  -0.458037642533E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   91(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) :-0.9528935E-03  (-0.1296394E-02)
 number of electron    2497.9999989 magnetization 
 augmentation part      162.7223408 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2993
  2.2106  0.8436  0.8436

  free energy =  -0.458022315000E+04  energy without entropy=  -0.458037711770E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   91(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3664
 total energy-change (2. order) :-0.7198099E-04  (-0.2528793E-03)
 number of electron    2497.9999989 magnetization 
 augmentation part      162.7225619 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3262
  2.4030  1.0078  1.0078  0.8861

  free energy =  -0.458022322198E+04  energy without entropy=  -0.458037745744E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   91(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) : 0.6810648E-04  (-0.1213975E-03)
 number of electron    2497.9999989 magnetization 
 augmentation part      162.7220359 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2289
  2.4183  1.0679  1.0679  0.7951  0.7951

  free energy =  -0.458022315387E+04  energy without entropy=  -0.458037718502E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   91(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3512
 total energy-change (2. order) : 0.1830020E-05  (-0.2359553E-04)
 number of electron    2497.9999989 magnetization 
 augmentation part      162.7220154 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2347
  2.4008  0.9886  0.9886  1.2077  1.2077  0.6152

  free energy =  -0.458022315204E+04  energy without entropy=  -0.458037735040E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   91(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3216
 total energy-change (2. order) : 0.5396985E-05  (-0.3910795E-05)
 number of electron    2497.9999989 magnetization 
 augmentation part      162.7220154 magnetization 

  free energy =  -0.458022314665E+04  energy without entropy=  -0.458037730782E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.9897       2 -56.0984       3 -55.9802       4 -55.8046       5 -55.8214
       6 -56.2540       7 -58.1051       8 -58.2219       9 -56.2346      10 -55.9094
      11 -56.0018      12 -55.8038      13 -55.7676      14 -55.9140      15 -58.0478
      16 -58.1487      17 -56.3430      18 -55.0097      19 -54.9155      20 -55.0541
      21 -55.6507      22 -55.5849      23 -55.5778      24 -55.5836      25 -54.9958
      26 -54.8156      27 -54.9344      28 -54.9251      29 -60.4079      30 -60.3566
      31 -55.7327      32 -55.8396      33 -55.7203      34 -55.4913      35 -55.5501
      36 -56.0274      37 -57.8382      38 -57.9839      39 -56.1369      40 -55.8683
      41 -55.9959      42 -55.7213      43 -55.7567      44 -55.9266      45 -58.0840
      46 -58.2009      47 -56.4597      48 -55.1244      49 -54.9583      50 -55.3122
      51 -55.9164      52 -55.8331      53 -55.7455      54 -55.7327      55 -55.0520
      56 -54.8466      57 -54.9331      58 -56.3411      59 -60.3243      60 -60.6265
      61 -55.8819      62 -56.0076      63 -55.8865      64 -55.7169      65 -55.7028
      66 -56.1438      67 -57.9634      68 -58.2109      69 -56.1654      70 -55.8729
      71 -55.9629      72 -55.7050      73 -55.6739      74 -55.8688      75 -57.9911
      76 -58.0809      77 -56.2697      78 -55.0443      79 -54.8753      80 -55.1937
      81 -55.7672      82 -55.7727      83 -55.8793      84 -55.8806      85 -55.2954
      86 -55.0410      87 -55.2010      88 -56.3888      89 -60.6281      90 -60.3523
      91 -55.7836      92 -55.9010      93 -55.7907      94 -55.5757      95 -55.6279
      96 -56.1108      97 -57.9486      98 -58.0382      99 -56.2012     100 -55.9145
     101 -56.0444     102 -55.7163     103 -55.7734     104 -55.9727     105 -58.0966
     106 -58.1900     107 -56.3796     108 -55.1221     109 -54.9519     110 -55.3710
     111 -55.8819     112 -55.8203     113 -55.6868     114 -55.6541     115 -55.0095
     116 -54.7773     117 -54.9057     118 -56.2055     119 -60.3228     120 -60.5937
     121 -55.9737     122 -56.0083     123 -55.8966     124 -55.7835     125 -55.8008
     126 -56.2060     127 -58.1145     128 -58.1844     129 -56.1853     130 -55.8286
     131 -55.9350     132 -55.7534     133 -55.6996     134 -55.8546     135 -57.9360
     136 -58.0474     137 -56.3218     138 -55.0453     139 -54.9251     140 -55.3094
     141 -55.8187     142 -55.7513     143 -55.8219     144 -55.8020     145 -55.1815
     146 -55.0784     147 -55.2184     148 -56.3516     149 -60.4390     150 -60.5020
     151 -55.6320     152 -55.7615     153 -55.5997     154 -55.4306     155 -55.4599
     156 -55.9106     157 -57.8746     158 -57.9536     159 -55.9887     160 -55.7459
     161 -55.9076     162 -55.5320     163 -55.5516     164 -55.7657     165 -57.9450
     166 -58.0798     167 -56.3693     168 -55.0571     169 -54.8823     170 -55.2073
     171 -55.8567     172 -55.8701     173 -55.8938     174 -55.8208     175 -55.2559
     176 -55.0945     177 -55.1521     178 -56.5141     179 -60.4757     180 -60.5738
     181 -55.7907     182 -56.0441     183 -55.9060     184 -55.5655     185 -55.5902
     186 -56.1523     187 -57.8768     188 -58.1868     189 -56.2063     190 -55.8596
     191 -56.0232     192 -55.7025     193 -55.6820     194 -55.8985     195 -57.9709
     196 -58.1784     197 -56.5298     198 -55.0783     199 -55.0112     200 -55.3370
     201 -55.8525     202 -55.8623     203 -55.8799     204 -55.8072     205 -55.0835
     206 -55.2058     207 -55.1575     208 -56.4353     209 -60.6123     210 -60.4901
     211 -55.9956     212 -56.0421     213 -55.9178     214 -55.8209     215 -55.7880
     216 -56.2650     217 -58.1282     218 -58.1695     219 -56.1705     220 -55.8515
     221 -55.9577     222 -55.6187     223 -55.5507     224 -55.8172     225 -57.9502
     226 -58.1458     227 -56.4183     228 -54.9781     229 -54.9072     230 -55.1624
     231 -55.7262     232 -55.7178     233 -55.6901     234 -55.6984     235 -55.0294
     236 -55.0674     237 -55.1611     238 -56.4107     239 -60.2956     240 -60.3956
     241 -55.9697     242 -56.0397     243 -55.9313     244 -55.7638     245 -55.7701
     246 -56.2206     247 -58.0906     248 -58.1694     249 -56.2049     250 -55.8702
     251 -55.9778     252 -55.7560     253 -55.7527     254 -55.9185     255 -58.0105
     256 -58.0914     257 -56.3329     258 -55.0711     259 -54.9248     260 -55.2421
     261 -55.7724     262 -55.7391     263 -55.7838     264 -55.8302     265 -55.1715
     266 -54.9481     267 -55.1500     268 -56.3456     269 -60.5408     270 -60.3939
     271 -55.8499     272 -55.9234     273 -55.7779     274 -55.6710     275 -55.6117
     276 -56.0050     277 -58.0235     278 -58.0959     279 -55.9062     280 -55.6589
     281 -55.7705     282 -55.4952     283 -55.5018     284 -55.7360     285 -57.9789
     286 -57.9806     287 -56.3152     288 -55.0203     289 -54.8996     290 -55.2434
     291 -55.8528     292 -55.8105     293 -55.8605     294 -55.8612     295 -55.1995
     296 -55.0075     297 -55.0415     298 -56.3920     299 -60.5173     300 -60.5435
     301 -55.8666     302 -56.0316     303 -55.9421     304 -55.6501     305 -55.6853
     306 -56.2046     307 -58.0353     308 -58.2442     309 -56.2459     310 -55.9454
     311 -56.0343     312 -55.7167     313 -55.7123     314 -55.8982     315 -57.9611
     316 -58.1591     317 -56.4166     318 -55.0537     319 -54.9087     320 -55.2825
     321 -55.7965     322 -55.7576     323 -55.8646     324 -55.8560     325 -55.1863
     326 -55.1021     327 -55.2130     328 -56.3859     329 -60.5048     330 -60.4671
     331 -55.7174     332 -55.7359     333 -55.6197     334 -55.5628     335 -55.5298
     336 -55.9583     337 -57.9153     338 -57.8985     339 -55.8758     340 -55.6123
     341 -55.7404     342 -55.4561     343 -55.4771     344 -55.7289     345 -57.8755
     346 -57.9205     347 -56.4293     348 -54.9937     349 -54.9980     350 -55.2763
     351 -55.7647     352 -55.7100     353 -55.6984     354 -55.7190     355 -55.1580
     356 -54.9999     357 -55.0314     358 -56.4122     359 -60.4591     360 -60.5028
     361 -39.0314     362 -38.7804     363 -38.9420     364 -39.0104     365 -38.9685
     366 -38.7253     367 -38.1457     368 -38.1006     369 -38.0886     370 -38.1334
     371 -38.0970     372 -38.1738     373 -38.7091     374 -38.3813     375 -38.7431
     376 -38.8806     377 -38.8338     378 -38.7736     379 -38.1698     380 -38.1652
     381 -38.2954     382 -38.0016     383 -38.2115     384 -37.9462     385 -38.9119
     386 -38.7911     387 -38.8965     388 -38.9129     389 -38.8643     390 -38.6083
     391 -38.2574     392 -38.2658     393 -38.2019     394 -38.3313     395 -38.2108
     396 -38.3335     397 -38.7496     398 -38.5079     399 -38.8355     400 -38.8936
     401 -38.8309     402 -38.7582     403 -38.1738     404 -38.1946     405 -38.4625
     406 -38.0316     407 -38.0889     408 -37.9602     409 -38.8091     410 -38.7847
     411 -38.9846     412 -38.7847     413 -38.9785     414 -38.7226     415 -38.1921
     416 -38.2914     417 -38.3312     418 -38.2495     419 -38.2723     420 -38.3315
     421 -38.6515     422 -38.3496     423 -38.6323     424 -38.7526     425 -38.6046
     426 -38.5568     427 -38.2333     428 -38.0683     429 -38.2888     430 -38.2277
     431 -38.1355     432 -38.0097     433 -38.7465     434 -38.5960     435 -38.8703
     436 -38.7222     437 -38.9751     438 -38.6910     439 -38.2296     440 -38.0775
     441 -38.1982     442 -38.1302     443 -38.1794     444 -38.0669     445 -38.8925
     446 -38.8741     447 -39.0012     448 -38.7650     449 -38.8542     450 -38.4369
     451 -37.9873     452 -37.9456     453 -38.0808     454 -37.9696     455 -38.1607
     456 -38.2027     457 -38.9306     458 -38.7247     459 -38.9177     460 -38.9094
     461 -38.8971     462 -38.7184     463 -38.1367     464 -38.2627     465 -38.3036
     466 -38.2517     467 -38.0919     468 -38.2916     469 -38.8547     470 -38.6542
     471 -38.7738     472 -38.8049     473 -38.6072     474 -38.5133     475 -38.3271
     476 -38.1119     477 -38.2472     478 -38.2114     479 -38.1886     480 -37.9827
     481 -38.9000     482 -38.7219     483 -38.9699     484 -38.8830     485 -38.9798
     486 -38.7545     487 -38.0895     488 -38.1953     489 -38.2945     490 -38.3176
     491 -38.2282     492 -38.3854     493 -38.7860     494 -38.4778     495 -38.6259
     496 -38.7946     497 -38.4880     498 -38.4784     499 -38.1593     500 -37.9831
     501 -38.2796     502 -38.1333     503 -38.1002     504 -38.0185     505 -38.2268
     506 -41.0573     507 -71.6558     508 -71.6202     509 -71.3983     510 -71.5818
     511 -71.4443     512 -71.4940     513 -71.4267     514 -71.4912     515 -71.6209
     516 -71.4421     517 -71.4119     518 -71.4628     519 -71.5100     520 -71.5776
     521 -71.5213     522 -71.5471     523 -71.5689     524 -71.4873     525 -71.5260
     526 -71.4456     527 -71.6085     528 -71.5426     529 -71.1699     530 -71.4987
     531 -76.8651     532 -76.8062     533 -76.8163     534 -76.7282     535 -76.5923
     536 -76.4688     537 -76.8678     538 -76.8024     539 -76.9930     540 -76.6947
     541 -76.7397     542 -76.6708     543 -76.6619     544 -76.6938     545 -76.8811
     546 -76.7927     547 -76.8286     548 -76.7744     549 -76.7053     550 -76.5747
     551 -76.5984     552 -76.5743     553 -76.7244     554 -76.6872     555 -76.7694
     556 -76.5322     557 -76.8161     558 -76.5962     559 -76.8436     560 -76.8228
     561 -76.7827     562 -76.5937     563 -76.8150     564 -76.7840     565 -76.7477
     566 -76.6833     567 -76.7738     568 -76.7129     569 -76.6085     570 -76.7326
     571 -76.9069     572 -76.7524     573 -76.8219     574 -76.5960     575 -76.5273
     576 -76.5532     577 -76.5533     578 -76.4459     579 -82.3241     580 -82.1791
     581 -82.2678     582 -82.4080     583 -82.3470     584 -82.2734     585 -82.4534
     586 -82.5005     587 -82.5650     588 -82.2096     589 -82.1434     590 -82.1814
     591 -82.3038     592 -82.2008     593 -82.2310     594 -82.6599     595 -82.4383
     596 -82.5415     597 -82.4299     598 -82.4628     599 -82.6080     600 -82.2031
     601 -82.1020     602 -82.2327     603 -82.3920     604 -82.3993     605 -82.3924
     606 -82.3951     607 -82.2165     608 -82.2805     609 -82.6943     610 -82.2582
     611 -82.3056     612 -82.4340     613 -82.3095     614 -82.2661     615 -82.5978
     616 -82.3934     617 -82.3868     618 -82.5156     619 -82.6323     620 -82.6273
     621 -82.1195     622 -82.3814     623 -82.3040     624 -82.1801     625 -82.1587
     626 -82.2030     627 -82.2009     628 -82.2661     629 -82.3233     630 -82.3713
     631 -82.5102     632 -82.2749     633 -82.4595     634 -82.3789     635 -82.4880
     636 -82.4075     637 -82.3771     638 -82.3111     639 -82.2475     640 -82.4979
     641 -82.4459     642 -82.3445     643 -82.4726     644 -82.3119     645 -82.4421
     646 -82.3466     647 -82.4402     648 -82.3534     649 -82.3917     650 -82.2583
 
 
 
 E-fermi :  -1.4825     XC(G=0):  -6.5406     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.0314      2.00000
      2     -28.9272      2.00000
      3     -28.8933      2.00000
      4     -28.8222      2.00000
      5     -28.8078      2.00000
      6     -28.7842      2.00000
      7     -28.7585      2.00000
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      9     -28.7430      2.00000
     10     -28.7314      2.00000
     11     -28.7289      2.00000
     12     -28.7259      2.00000
     13     -28.6782      2.00000
     14     -28.6718      2.00000
     15     -28.6653      2.00000
     16     -28.6397      2.00000
     17     -28.6251      2.00000
     18     -28.6167      2.00000
     19     -28.5904      2.00000
     20     -28.5782      2.00000
     21     -28.5588      2.00000
     22     -28.5517      2.00000
     23     -28.5094      2.00000
     24     -28.4052      2.00000
     25     -26.7143      2.00000
     26     -26.6444      2.00000
     27     -26.6326      2.00000
     28     -26.5801      2.00000
     29     -26.5747      2.00000
     30     -26.5543      2.00000
     31     -26.5415      2.00000
     32     -26.5204      2.00000
     33     -26.5114      2.00000
     34     -26.5051      2.00000
     35     -26.5031      2.00000
     36     -26.5015      2.00000
     37     -26.4902      2.00000
     38     -26.4794      2.00000
     39     -26.4779      2.00000
     40     -26.4570      2.00000
     41     -26.4527      2.00000
     42     -26.4405      2.00000
     43     -26.4320      2.00000
     44     -26.4082      2.00000
     45     -26.4069      2.00000
     46     -26.4055      2.00000
     47     -26.4051      2.00000
     48     -26.3934      2.00000
     49     -26.3881      2.00000
     50     -26.3868      2.00000
     51     -26.3683      2.00000
     52     -26.3591      2.00000
     53     -26.3497      2.00000
     54     -26.3420      2.00000
     55     -26.3342      2.00000
     56     -26.3293      2.00000
     57     -26.3226      2.00000
     58     -26.3150      2.00000
     59     -26.3087      2.00000
     60     -26.2880      2.00000
     61     -26.2795      2.00000
     62     -26.2789      2.00000
     63     -26.2484      2.00000
     64     -26.2368      2.00000
     65     -26.2309      2.00000
     66     -26.2251      2.00000
     67     -26.2145      2.00000
     68     -26.1900      2.00000
     69     -26.1893      2.00000
     70     -26.1857      2.00000
     71     -26.1751      2.00000
     72     -26.1148      2.00000
     73     -23.3381      2.00000
     74     -23.2364      2.00000
     75     -23.2233      2.00000
     76     -23.2231      2.00000
     77     -23.1851      2.00000
     78     -23.1745      2.00000
     79     -23.1722      2.00000
     80     -23.1495      2.00000
     81     -23.1386      2.00000
     82     -23.1374      2.00000
     83     -23.1260      2.00000
     84     -23.0975      2.00000
     85     -23.0948      2.00000
     86     -23.0645      2.00000
     87     -23.0633      2.00000
     88     -23.0613      2.00000
     89     -23.0592      2.00000
     90     -23.0136      2.00000
     91     -22.9672      2.00000
     92     -22.9629      2.00000
     93     -22.9282      2.00000
     94     -22.9216      2.00000
     95     -22.8858      2.00000
     96     -22.8778      2.00000
     97     -22.8580      2.00000
     98     -22.8320      2.00000
     99     -22.8058      2.00000
    100     -22.7965      2.00000
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    102     -22.7645      2.00000
    103     -22.7548      2.00000
    104     -22.7156      2.00000
    105     -22.7050      2.00000
    106     -22.6996      2.00000
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    108     -22.6458      2.00000
    109     -22.6347      2.00000
    110     -22.6325      2.00000
    111     -22.5965      2.00000
    112     -22.5733      2.00000
    113     -22.5724      2.00000
    114     -22.5246      2.00000
    115     -22.5229      2.00000
    116     -22.5106      2.00000
    117     -22.5024      2.00000
    118     -22.4157      2.00000
    119     -22.4028      2.00000
    120     -22.3385      2.00000
    121     -20.4577      2.00000
    122     -20.4371      2.00000
    123     -20.3942      2.00000
    124     -20.3811      2.00000
    125     -20.3761      2.00000
    126     -20.3721      2.00000
    127     -20.3613      2.00000
    128     -20.3596      2.00000
    129     -20.3518      2.00000
    130     -20.3298      2.00000
    131     -20.3015      2.00000
    132     -20.2977      2.00000
    133     -20.2888      2.00000
    134     -20.2757      2.00000
    135     -20.2752      2.00000
    136     -20.2719      2.00000
    137     -20.2446      2.00000
    138     -20.2337      2.00000
    139     -20.2268      2.00000
    140     -20.2262      2.00000
    141     -20.1399      2.00000
    142     -20.1398      2.00000
    143     -20.1078      2.00000
    144     -20.0694      2.00000
    145     -18.6743      2.00000
    146     -18.5692      2.00000
    147     -18.5674      2.00000
    148     -18.5648      2.00000
    149     -18.5210      2.00000
    150     -18.5123      2.00000
    151     -18.4935      2.00000
    152     -18.4852      2.00000
    153     -18.4781      2.00000
    154     -18.4431      2.00000
    155     -18.4156      2.00000
    156     -18.4092      2.00000
    157     -18.3585      2.00000
    158     -18.2926      2.00000
    159     -18.2756      2.00000
    160     -18.2615      2.00000
    161     -18.2508      2.00000
    162     -18.2400      2.00000
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    165     -18.1846      2.00000
    166     -18.1806      2.00000
    167     -18.1514      2.00000
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    169     -17.9661      2.00000
    170     -17.9475      2.00000
    171     -17.9389      2.00000
    172     -17.9093      2.00000
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    174     -17.8771      2.00000
    175     -17.8551      2.00000
    176     -17.8467      2.00000
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    178     -17.8003      2.00000
    179     -17.7835      2.00000
    180     -17.7723      2.00000
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    182     -17.5928      2.00000
    183     -17.5752      2.00000
    184     -17.5500      2.00000
    185     -17.5483      2.00000
    186     -17.5301      2.00000
    187     -17.5171      2.00000
    188     -17.5075      2.00000
    189     -17.5062      2.00000
    190     -17.4866      2.00000
    191     -17.4452      2.00000
    192     -17.4434      2.00000
    193     -16.7624      2.00000
    194     -16.7435      2.00000
    195     -16.7206      2.00000
    196     -16.7063      2.00000
    197     -16.6821      2.00000
    198     -16.6619      2.00000
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    200     -16.6007      2.00000
    201     -16.5675      2.00000
    202     -16.5430      2.00000
    203     -16.5180      2.00000
    204     -16.4983      2.00000
    205     -16.1777      2.00000
    206     -16.1765      2.00000
    207     -16.1599      2.00000
    208     -16.1268      2.00000
    209     -16.0889      2.00000
    210     -16.0643      2.00000
    211     -16.0194      2.00000
    212     -15.9950      2.00000
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    215     -15.9036      2.00000
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    223     -15.5969      2.00000
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    227     -15.5290      2.00000
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    232     -15.4316      2.00000
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    240     -15.3731      2.00000
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   1557       6.0874      0.00000
   1558       6.0885      0.00000
   1559       6.1005      0.00000
   1560       6.1065      0.00000
   1561       6.1103      0.00000
   1562       6.1267      0.00000
   1563       6.1375      0.00000
   1564       6.1428      0.00000
   1565       6.1536      0.00000
   1566       6.1585      0.00000
   1567       6.1759      0.00000
   1568       6.1769      0.00000
   1569       6.1820      0.00000
   1570       6.1951      0.00000
   1571       6.2074      0.00000
   1572       6.2130      0.00000
   1573       6.2206      0.00000
   1574       6.2304      0.00000
   1575       6.2367      0.00000
   1576       6.2474      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.085  13.409  -0.001   0.001  -0.000   0.001  -0.004   0.000
 13.409  17.826  -0.001   0.002  -0.000   0.002  -0.005   0.000
 -0.001  -0.001  -4.230   0.003   0.000   8.273  -0.004  -0.000
  0.001   0.002   0.003  -4.230   0.001  -0.004   8.273  -0.001
 -0.000  -0.000   0.000   0.001  -4.223  -0.000  -0.001   8.264
  0.001   0.002   8.273  -0.004  -0.000 -18.309   0.007   0.000
 -0.004  -0.005  -0.004   8.273  -0.001   0.007 -18.307   0.001
  0.000   0.000  -0.000  -0.001   8.264   0.000   0.001 -18.300
 total augmentation occupancy for first ion, spin component:           1
  8.521  -3.845   0.181   0.120  -0.044   0.023   0.023  -0.007
 -3.845   1.808  -0.093  -0.083   0.025  -0.010  -0.014   0.004
  0.181  -0.093   1.783  -0.062  -0.029   0.168  -0.012  -0.005
  0.120  -0.083  -0.062   1.908  -0.105  -0.011   0.179  -0.015
 -0.044   0.025  -0.029  -0.105   1.232  -0.005  -0.015   0.082
  0.023  -0.010   0.168  -0.011  -0.005   0.018  -0.002  -0.001
  0.023  -0.014  -0.012   0.179  -0.015  -0.002   0.018  -0.002
 -0.007   0.004  -0.005  -0.015   0.082  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -48328.38473 81046.87532 17409.15925 -8907.51954  6155.31463 17026.01840
  Hartree  7452.32951108015.20437 55197.11254 -9321.85768  4104.95672 11268.20355
  E(xc)  -10737.41354-10589.74121-10631.92011     2.56531     8.39852    33.80513
  Local    7449.36103************************ 18224.43606-10273.36618-27672.64527
  n-local -5844.13565 -5986.60280 -6041.03069     7.05789    15.81203   -67.38117
  augment  1492.59535  1534.86608  1486.90325     4.55380    12.12425    -4.52901
  Kinetic 45473.87783 43291.42259 43673.89832   -33.52096   -69.33268  -593.06937
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -133.9114747   -366.4706805   -143.7347712    -24.2851212    -46.0927127     -9.5977437
  in kB      -22.3308103    -61.1119193    -23.9689236     -4.0497384     -7.6863288     -1.6005006
  external PRESSURE =     -35.8038844 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.209E+03 -.102E+03 0.230E+03   0.209E+03 0.103E+03 -.232E+03   -.399E-01 -.567E+00 0.134E+01   0.104E-02 0.111E-02 -.119E-02
   -.167E+03 -.127E+03 0.509E+02   0.166E+03 0.129E+03 -.505E+02   0.265E+00 -.128E+01 -.450E+00   0.727E-03 0.112E-02 -.200E-03
   -.133E+03 -.119E+03 0.529E+01   0.133E+03 0.121E+03 -.369E+01   0.385E+00 -.132E+01 -.153E+01   0.735E-03 0.353E-03 -.300E-03
   -.199E+03 -.893E+02 0.322E+03   0.199E+03 0.894E+02 -.324E+03   -.383E+00 0.193E+00 0.241E+01   0.128E-02 0.607E-03 -.167E-02
   -.154E+03 -.140E+03 0.289E+03   0.154E+03 0.141E+03 -.290E+03   -.386E-01 -.750E+00 0.119E+01   0.129E-02 0.494E-03 -.156E-02
   -.124E+03 -.106E+03 0.167E+03   0.124E+03 0.106E+03 -.167E+03   0.920E-01 -.163E+00 0.391E+00   0.953E-03 -.372E-04 -.649E-03
   -.212E+03 -.124E+03 0.156E+03   0.212E+03 0.129E+03 -.157E+03   0.373E+00 -.434E+01 0.866E+00   0.980E-03 0.150E-02 -.137E-02
   -.165E+03 -.998E+02 0.287E+02   0.166E+03 0.104E+03 -.306E+02   -.490E+00 -.414E+01 0.202E+01   0.520E-03 0.166E-02 0.165E-03
   -.858E+02 0.272E+01 0.195E+03   0.857E+02 -.276E+01 -.195E+03   0.146E+00 -.547E-01 0.315E+00   0.772E-03 -.578E-03 -.782E-03
   -.695E+02 0.889E+02 0.600E+02   0.692E+02 -.907E+02 -.589E+02   0.352E+00 0.170E+01 -.991E+00   0.720E-03 -.838E-03 -.436E-03
   -.708E+02 0.101E+03 0.124E+03   0.705E+02 -.103E+03 -.124E+03   0.312E+00 0.123E+01 0.321E-02   0.802E-03 -.546E-03 -.378E-03
   -.873E+02 -.867E+01 0.325E+03   0.874E+02 0.848E+01 -.326E+03   -.150E+00 0.255E+00 0.123E+01   0.711E-03 -.720E-03 -.127E-02
   -.948E+02 -.514E+02 0.352E+03   0.950E+02 0.524E+02 -.354E+03   -.295E+00 -.113E+01 0.227E+01   0.916E-03 -.762E-03 -.700E-03
   -.908E+02 0.136E+02 0.288E+03   0.909E+02 -.136E+02 -.290E+03   0.971E-01 0.242E-02 0.150E+01   0.105E-02 -.476E-03 -.746E-03
   -.875E+02 0.908E+02 0.252E+03   0.868E+02 -.947E+02 -.255E+03   0.564E+00 0.377E+01 0.249E+01   0.154E-02 0.210E-03 -.132E-02
   -.644E+02 0.107E+03 0.922E+02   0.642E+02 -.110E+03 -.956E+02   0.993E-01 0.300E+01 0.362E+01   0.894E-03 -.448E-03 -.121E-02
   -.498E+02 0.923E+02 0.412E+02   0.503E+02 -.879E+02 -.368E+02   -.543E+00 -.469E+01 -.433E+01   0.112E-02 -.431E-03 0.817E-04
   0.147E+02 0.196E+03 -.156E+03   -.153E+02 -.198E+03 0.158E+03   0.520E+00 0.178E+01 -.214E+01   0.535E-03 -.813E-03 0.164E-02
   0.394E+02 0.152E+03 -.202E+03   -.397E+02 -.152E+03 0.204E+03   0.400E+00 0.214E+00 -.188E+01   0.312E-03 -.833E-03 0.211E-02
   -.568E+02 0.892E+02 0.173E+03   0.578E+02 -.883E+02 -.177E+03   -.107E+01 -.104E+01 0.330E+01   0.163E-02 -.478E-04 -.546E-03
   0.115E+02 0.515E+02 0.311E+01   -.126E+02 -.529E+02 -.156E+01   0.110E+01 0.153E+01 -.131E+01   0.126E-02 -.434E-03 -.152E-03
   0.297E+02 0.105E+02 -.118E+03   -.297E+02 -.108E+02 0.118E+03   0.367E-01 0.179E+00 -.106E+01   0.747E-03 -.329E-03 0.151E-02
   -.284E+01 -.453E+02 -.164E+03   0.343E+01 0.456E+02 0.163E+03   -.516E+00 -.822E-01 0.487E+00   0.796E-03 -.974E-03 0.173E-02
   -.203E+02 -.818E+02 -.216E+03   0.214E+02 0.836E+02 0.215E+03   -.995E+00 -.166E+01 0.105E+01   0.200E-03 -.113E-02 0.164E-02
   0.107E+01 -.164E+03 -.317E+03   -.163E+01 0.165E+03 0.319E+03   0.574E+00 -.709E+00 -.180E+01   0.473E-03 -.106E-02 0.106E-02
   -.837E+02 -.160E+03 -.145E+03   0.849E+02 0.160E+03 0.144E+03   -.124E+01 -.107E+00 0.150E+01   0.136E-02 -.780E-03 0.189E-02
   -.818E+02 -.267E+03 -.176E+03   0.824E+02 0.268E+03 0.176E+03   -.569E+00 -.869E+00 0.320E+00   0.118E-02 -.118E-02 0.184E-02
   -.269E+02 -.261E+03 -.268E+03   0.268E+02 0.262E+03 0.269E+03   0.123E+00 -.127E+01 -.329E+00   0.107E-02 -.875E-03 0.121E-02
   -.389E+02 -.253E+02 -.210E+03   0.449E+02 0.332E+02 0.205E+03   -.592E+01 -.777E+01 0.475E+01   0.548E-03 -.104E-02 0.895E-03
   -.741E+00 0.483E+02 0.141E+02   -.343E+01 -.568E+02 -.884E+01   0.432E+01 0.850E+01 -.525E+01   0.115E-02 0.285E-04 -.121E-02
   -.157E+03 -.147E+02 -.558E+02   0.157E+03 0.149E+02 0.573E+02   -.152E+00 -.407E-01 -.159E+01   0.915E-04 0.182E-04 0.100E-03
   -.978E+02 -.135E+03 0.132E+03   0.977E+02 0.136E+03 -.132E+03   0.174E+00 -.137E+01 -.199E+00   -.123E-03 -.141E-03 -.115E-03
   -.106E+03 -.152E+03 0.189E+03   0.105E+03 0.153E+03 -.190E+03   0.510E+00 -.168E+01 0.102E+01   -.210E-03 0.399E-04 0.416E-04
   -.256E+03 0.207E+02 -.183E+03   0.256E+03 -.222E+02 0.186E+03   -.329E+00 0.142E+01 -.233E+01   0.670E-03 0.421E-03 0.327E-03
   -.258E+03 -.503E+02 -.188E+03   0.258E+03 0.504E+02 0.189E+03   -.253E+00 -.465E-01 -.121E+01   0.760E-03 -.981E-04 0.529E-03
   -.171E+03 -.709E+02 0.758E+01   0.170E+03 0.708E+02 -.760E+01   0.250E+00 0.221E+00 -.154E+00   0.161E-05 -.506E-04 0.469E-03
   -.737E+02 -.515E+02 -.311E+02   0.745E+02 0.552E+02 0.339E+02   -.671E+00 -.393E+01 -.248E+01   -.397E-03 0.790E-03 -.172E-04
   -.524E+02 -.132E+03 0.100E+03   0.523E+02 0.135E+03 -.972E+02   0.763E-01 -.312E+01 -.365E+01   -.251E-03 -.161E-03 0.854E-03
   -.142E+03 0.499E+02 0.181E+02   0.142E+03 -.503E+02 -.181E+02   0.134E+00 0.293E+00 0.196E-01   -.562E-03 -.433E-03 0.679E-03
   -.666E+02 0.494E+02 0.219E+03   0.664E+02 -.506E+02 -.221E+03   0.248E+00 0.126E+01 0.174E+01   -.583E-03 -.911E-03 0.228E-03
   -.410E+02 0.696E+02 0.143E+03   0.408E+02 -.711E+02 -.143E+03   0.153E+00 0.144E+01 0.437E+00   -.769E-03 -.617E-03 0.773E-03
   -.181E+03 0.992E+02 -.207E+03   0.182E+03 -.100E+03 0.208E+03   -.502E-01 0.848E+00 -.828E+00   -.271E-03 -.165E-03 0.585E-03
   -.155E+03 0.551E+02 -.276E+03   0.155E+03 -.552E+02 0.279E+03   -.230E+00 0.102E+00 -.223E+01   -.255E-03 -.312E-03 0.591E-03
   -.838E+02 0.564E+02 -.117E+03   0.841E+02 -.571E+02 0.118E+03   -.301E+00 0.600E+00 -.119E+01   -.790E-03 -.885E-03 0.139E-02
   -.376E+02 0.950E+02 -.530E+02   0.376E+02 -.100E+03 0.528E+02   0.874E-01 0.451E+01 -.523E+00   -.102E-02 -.119E-03 0.278E-02
   -.276E+01 0.731E+02 0.146E+03   0.242E+01 -.774E+02 -.144E+03   0.515E+00 0.441E+01 -.194E+01   -.711E-03 -.111E-02 0.182E-02
   0.322E+02 0.395E+02 0.110E+03   -.306E+02 -.340E+02 -.112E+03   -.157E+01 -.574E+01 0.171E+01   -.699E-03 -.270E-03 0.499E-03
   -.162E+02 0.126E+03 0.263E+03   0.172E+02 -.127E+03 -.266E+03   -.109E+01 0.111E+01 0.236E+01   0.333E-03 0.106E-03 -.104E-02
   -.282E+02 0.114E+03 0.221E+03   0.291E+02 -.113E+03 -.223E+03   -.746E+00 -.427E+00 0.207E+01   0.476E-03 -.859E-03 -.145E-02
   0.595E+02 0.580E+02 -.301E+02   -.608E+02 -.581E+02 0.331E+02   0.128E+01 0.236E+00 -.293E+01   -.119E-02 0.700E-04 0.182E-02
   0.125E+02 0.183E+02 0.373E+02   -.120E+02 -.194E+02 -.392E+02   -.468E+00 0.107E+01 0.221E+01   -.971E-03 -.211E-03 0.151E-02
   -.157E+02 0.238E+01 0.784E+02   0.163E+02 -.210E+01 -.792E+02   -.526E+00 -.241E+00 0.920E+00   -.647E-04 -.256E-03 -.181E-03
   -.696E+02 -.925E+00 0.231E+02   0.695E+02 0.885E+00 -.224E+02   0.754E-01 0.312E-01 -.683E+00   0.324E-03 -.219E-03 -.822E-03
   -.127E+03 -.102E+02 0.677E+02   0.127E+03 0.110E+02 -.663E+02   0.108E+01 -.886E+00 -.165E+01   0.149E-02 -.436E-03 -.238E-02
   -.208E+03 -.626E+02 0.134E+03   0.210E+03 0.626E+02 -.138E+03   -.146E+01 -.103E+00 0.313E+01   0.117E-02 -.603E-03 -.216E-02
   -.639E+02 -.972E+02 -.118E+03   0.631E+02 0.967E+02 0.120E+03   0.702E+00 0.308E+00 -.173E+01   -.491E-03 0.140E-02 0.749E-03
   -.943E+02 -.101E+03 -.164E+03   0.935E+02 0.102E+03 0.167E+03   0.832E+00 -.126E+01 -.293E+01   -.427E-03 0.791E-03 0.814E-03
   -.156E+03 -.388E+02 0.104E+02   0.154E+03 0.329E+02 -.839E+01   0.137E+01 0.608E+01 -.199E+01   0.332E-03 0.102E-02 -.431E-03
   -.156E+03 0.153E+02 0.113E+03   0.151E+03 -.936E+01 -.105E+03   0.399E+01 -.603E+01 -.792E+01   0.114E-02 -.508E-03 -.170E-02
   -.435E+02 -.698E+01 -.218E+02   0.452E+02 0.494E+00 0.129E+02   -.171E+01 0.648E+01 0.888E+01   -.975E-03 -.164E-03 0.109E-02
   -.322E+03 -.713E+02 0.801E+02   0.322E+03 0.715E+02 -.812E+02   -.121E+00 -.495E+00 0.122E+01   0.137E-02 -.490E-03 -.130E-03
   -.320E+03 -.968E+02 -.864E+02   0.320E+03 0.978E+02 0.871E+02   -.649E-01 -.120E+01 -.377E+00   0.125E-02 -.754E-03 0.499E-03
   -.287E+03 -.888E+02 -.135E+03   0.287E+03 0.900E+02 0.137E+03   -.473E-01 -.100E+01 -.162E+01   0.122E-02 -.138E-02 0.751E-03
   -.269E+03 -.563E+02 0.175E+03   0.269E+03 0.565E+02 -.177E+03   -.814E-01 0.268E+00 0.222E+01   0.165E-02 -.140E-02 0.393E-03
   -.224E+03 -.992E+02 0.135E+03   0.224E+03 0.999E+02 -.136E+03   0.148E-01 -.751E+00 0.102E+01   0.173E-02 -.103E-02 0.405E-03
   -.242E+03 -.676E+02 -.185E+01   0.242E+03 0.675E+02 0.203E+01   0.318E-01 -.102E+00 0.142E+00   0.127E-02 -.112E-02 -.541E-04
   -.343E+03 -.112E+03 0.143E+02   0.343E+03 0.117E+03 -.141E+02   -.182E+00 -.424E+01 0.646E+00   0.143E-02 -.171E-02 -.967E-03
   -.321E+03 -.969E+02 -.386E+02   0.322E+03 0.101E+03 0.346E+02   -.627E+00 -.401E+01 0.202E+01   0.110E-02 -.609E-03 -.856E-03
   -.206E+03 0.396E+02 0.176E+02   0.206E+03 -.396E+02 -.176E+02   -.326E-03 0.753E-01 0.997E-01   0.115E-02 -.769E-03 -.354E-03
   -.234E+03 0.117E+03 -.868E+02   0.234E+03 -.119E+03 0.880E+02   -.611E-01 0.157E+01 -.116E+01   0.116E-02 -.879E-03 -.451E-03
   -.226E+03 0.125E+03 -.104E+02   0.226E+03 -.127E+03 0.103E+02   0.145E+00 0.133E+01 -.828E-02   0.113E-02 0.123E-03 -.619E-03
   -.148E+03 0.392E+02 0.133E+03   0.148E+03 -.396E+02 -.135E+03   -.211E-02 0.307E+00 0.119E+01   0.124E-02 -.122E-04 -.165E-03
   -.144E+03 -.158E+02 0.145E+03   0.144E+03 0.167E+02 -.148E+03   -.374E-01 -.112E+01 0.245E+01   0.127E-02 -.212E-03 -.168E-03
   -.195E+03 0.341E+02 0.117E+03   0.195E+03 -.344E+02 -.119E+03   -.820E-02 0.342E+00 0.144E+01   0.129E-02 -.241E-07 -.712E-03
   -.216E+03 0.969E+02 0.115E+03   0.216E+03 -.101E+03 -.117E+03   0.185E+00 0.407E+01 0.232E+01   0.134E-02 0.490E-03 -.104E-02
   -.242E+03 0.143E+03 0.533E+02   0.242E+03 -.146E+03 -.563E+02   -.982E-01 0.339E+01 0.330E+01   0.840E-03 0.481E-03 -.236E-02
   -.229E+03 0.108E+03 0.795E+02   0.229E+03 -.103E+03 -.757E+02   0.497E+00 -.486E+01 -.367E+01   0.608E-03 0.376E-03 -.105E-03
   -.110E+03 0.197E+03 0.282E+01   0.109E+03 -.198E+03 -.152E+01   0.122E+01 0.999E+00 -.142E+01   -.713E-03 0.779E-03 -.138E-03
   -.613E+02 0.115E+03 0.311E+02   0.600E+02 -.115E+03 -.294E+02   0.141E+01 -.102E+00 -.185E+01   -.141E-02 0.179E-03 -.466E-03
   -.289E+03 0.987E+02 0.182E+03   0.291E+03 -.983E+02 -.184E+03   -.183E+01 -.299E+00 0.203E+01   0.126E-02 -.137E-03 -.637E-04
   -.184E+03 0.546E+02 0.107E+03   0.183E+03 -.558E+02 -.106E+03   0.144E+01 0.122E+01 -.968E+00   0.608E-03 0.142E-03 -.126E-03
   -.119E+03 -.241E+01 0.767E+02   0.118E+03 0.227E+01 -.762E+02   0.374E+00 0.205E+00 -.459E+00   -.616E-03 0.301E-03 -.371E-03
   -.108E+03 -.642E+01 0.103E+03   0.109E+03 0.655E+01 -.103E+03   -.555E+00 -.120E+00 0.102E+01   -.109E-02 0.265E-03 -.802E-03
   -.571E+02 -.407E+02 0.607E+02   0.583E+02 0.424E+02 -.621E+02   -.122E+01 -.182E+01 0.143E+01   -.168E-02 0.160E-03 -.948E-03
   0.157E+02 -.568E+02 -.351E+02   -.174E+02 0.565E+02 0.374E+02   0.184E+01 0.306E+00 -.236E+01   -.161E-02 0.241E-03 -.920E-03
   -.163E+03 -.127E+03 0.154E+03   0.164E+03 0.128E+03 -.156E+03   -.933E+00 -.162E+00 0.196E+01   -.626E-03 0.493E-03 -.105E-02
   -.134E+03 -.189E+03 0.173E+03   0.135E+03 0.190E+03 -.174E+03   -.101E+01 -.121E+01 0.126E+01   -.772E-03 0.451E-03 -.114E-02
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   -.232E+02 -.373E+03 -.855E+02   0.563E+02 0.413E+03 0.733E+02   -.330E+02 -.404E+02 0.122E+02   -.544E-03 -.168E-02 0.326E-02
   0.239E+03 0.135E+03 0.180E+03   -.269E+03 -.141E+03 -.226E+03   0.295E+02 0.551E+01 0.452E+02   0.129E-02 -.103E-02 0.163E-02
   -.274E+03 -.196E+03 -.369E+03   0.315E+03 0.204E+03 0.402E+03   -.416E+02 -.822E+01 -.327E+02   -.121E-02 0.220E-03 0.483E-03
   0.192E+03 0.331E+03 -.238E+03   -.203E+03 -.381E+03 0.252E+03   0.114E+02 0.497E+02 -.142E+02   -.497E-03 0.481E-03 0.255E-02
   -.631E+02 -.105E+03 0.152E+03   0.830E+02 0.102E+03 -.200E+03   -.201E+02 0.295E+01 0.478E+02   -.784E-03 0.695E-03 0.226E-02
   -.165E+03 -.450E+03 0.330E+03   0.178E+03 0.490E+03 -.363E+03   -.122E+02 -.393E+02 0.336E+02   0.127E-02 0.131E-02 0.166E-03
   0.852E+02 -.405E+03 -.269E+03   -.971E+02 0.426E+03 0.314E+03   0.120E+02 -.209E+02 -.445E+02   0.189E-02 -.102E-02 0.194E-02
   -.314E+03 -.884E+02 0.103E+03   0.360E+03 0.629E+02 -.937E+02   -.461E+02 0.256E+02 -.897E+01   0.128E-02 0.185E-02 -.154E-02
   0.160E+03 -.277E+03 0.732E+03   -.171E+03 0.310E+03 -.772E+03   0.105E+02 -.327E+02 0.407E+02   0.115E-02 0.178E-03 -.274E-02
   -.706E+02 0.180E+03 0.430E+03   0.112E+03 -.209E+03 -.446E+03   -.409E+02 0.289E+02 0.161E+02   -.546E-03 0.128E-02 -.229E-02
   0.321E+03 0.323E+03 0.463E+03   -.362E+03 -.354E+03 -.464E+03   0.415E+02 0.307E+02 0.807E+00   -.501E-03 0.110E-02 -.433E-02
 -----------------------------------------------------------------------------------------------
   0.476E+02 0.822E+01 -.262E+02   0.132E-10 -.557E-11 0.568E-13   -.476E+02 -.824E+01 0.261E+02   0.260E-01 -.126E-01 0.820E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.23994      3.16126      1.34976         0.100837     -0.154729     -0.021488
     12.99493      3.60388      2.64555        -0.003046     -0.011765     -0.074304
     12.91408      4.96554      2.93899         0.015979      0.043635      0.076437
     13.32986      4.05890      0.29954        -0.030664      0.221247     -0.139455
     13.22758      5.42690      0.58407         0.000499     -0.047787      0.014384
     13.07415      5.92603      1.89866        -0.029221     -0.042902      0.243916
     13.35088      1.67715      1.34160        -0.148936      0.419399      0.336548
     12.82222      2.39269      3.50795        -0.072222     -0.097527      0.135936
     13.13133      7.40191      2.19145         0.034296     -0.087969      0.137969
     13.11212      7.89393      3.52352         0.053920     -0.026064      0.087704
     13.31935      9.25021      3.76360         0.025371     -0.054878     -0.168444
     13.30048      8.35662      1.15779        -0.003554      0.065205      0.008148
     13.50251      9.72063      1.40369        -0.013336     -0.081537     -0.044012
     13.52213     10.14752      2.72281         0.142857      0.027554      0.009782
     13.77452     11.50026      3.27895        -0.121643     -0.161269     -0.082313
     13.39930     10.00617      5.04323        -0.063302      0.024852      0.231813
     13.73569     12.47435      5.62886        -0.021360     -0.230823      0.046434
     13.48855     12.31387      6.99708        -0.009830     -0.238631     -0.024796
     13.56977     13.39992      7.86262         0.068133      0.024195      0.016951
     14.08992     13.75884      5.20693         0.029006     -0.089149      0.001882
     14.17179     14.84592      6.08150        -0.005673      0.212265      0.237716
     13.88028     14.72069      7.48681         0.054426     -0.123002     -0.371682
     13.93933     15.83321      8.49875         0.073877      0.254768      0.178984
     13.19173     15.93396      9.72482         0.067750      0.111041     -0.024918
     13.24123     17.10760     10.49750         0.014775      0.041679     -0.132887
     14.80189     16.92840      8.25572         0.005703     -0.041780      0.083601
     14.81107     18.10788      9.00032         0.061135     -0.171522      0.064257
     13.99927     18.21407     10.12177         0.001259     -0.100664      0.019707
     12.35584     14.83516     10.34415         0.130753      0.118817     -0.081515
     14.72309     16.07838      5.38119         0.144907     -0.038941      0.027251
      9.92039      3.83309      4.63300         0.017350      0.095312     -0.098278
      9.70091      4.75319      3.60489         0.043388     -0.096476      0.110584
      9.70210      6.13655      3.85694         0.025377      0.008292     -0.061006
     10.26878      4.27972      5.90654         0.025726     -0.029311     -0.001521
     10.36193      5.65548      6.13180        -0.002227      0.054979     -0.099354
     10.03720      6.62747      5.15101        -0.072700      0.124113     -0.172043
      9.75094      2.44553      4.10080         0.072488     -0.223083      0.347346
      9.55585      3.96420      2.32773        -0.029614      0.171166     -0.456227
     10.06774      8.10318      5.51059         0.050952     -0.056074     -0.037602
     10.06221      9.15280      4.55210         0.033082      0.088523     -0.004551
     10.14618     10.48721      4.97146        -0.013949      0.015012      0.085148
     10.12656      8.50213      6.87183         0.042858     -0.063422      0.012641
     10.21214      9.83741      7.29080        -0.042476     -0.069970     -0.058036
     10.22055     10.83483      6.32027        -0.048235     -0.155913      0.067236
     10.28586     12.31842      6.45896         0.089920     -0.529817     -0.704107
     10.21227     11.75673      4.18050         0.179147      0.117578     -0.084955
     10.69073     14.21027      4.79475         0.034960     -0.225313     -0.089814
     11.23986     14.55068      3.55570        -0.083875     -0.000284     -0.056524
     11.61135     15.86377      3.27624         0.131605      0.033194     -0.009926
     10.55398     15.26585      5.70831         0.000690      0.116462     -0.024989
     10.97735     16.58684      5.43219         0.027006      0.037145      0.259269
     11.55919     16.96270      4.15771         0.001792      0.034883      0.067852
     12.08027     18.33571      3.70240        -0.043529     -0.009424     -0.021225
     12.70220     18.72218      2.44797         0.229522     -0.115937     -0.198004
     12.98496     20.06927      2.15818         0.182430     -0.064135     -0.111869
     11.92987     19.44675      4.55994        -0.095505     -0.202001      0.050260
     12.22826     20.77364      4.28499        -0.016831      0.156410     -0.027155
     12.73748     21.13027      3.03764         0.000828      0.193139      0.043060
     13.24745     17.81933      1.31915        -0.169068     -0.062104      0.057042
     10.77250     17.50472      6.64107         0.021540     -0.009279      0.062184
     10.70960      7.06103     14.91829         0.041791     -0.311793      0.077839
     10.66660      7.49311     16.23993        -0.102725     -0.189823      0.309788
     10.68070      8.85594     16.55416        -0.051480      0.243972     -0.077805
     10.72110      7.96820     13.87527        -0.002039      0.370838     -0.088232
     10.70241      9.33380     14.18095         0.028894     -0.088145     -0.055317
     10.71134      9.82772     15.50334         0.004301     -0.207653      0.323614
     10.65211      5.56942     14.86522        -0.068223      0.936087      0.793755
     10.50355      6.25617     17.11944         0.089319      0.113413     -1.997926
     10.73999     11.31447     15.74358        -0.000462      0.084308      0.092780
     10.80960     11.89902     17.04054        -0.008802     -0.091752     -0.018149
     10.85516     13.28851     17.16568         0.049767     -0.112436     -0.039080
     10.71422     12.20858     14.63982        -0.004376     -0.039527     -0.007985
     10.80014     13.59820     14.77162        -0.000092     -0.180560     -0.136039
     10.87287     14.12119     16.05077         0.065789      0.131855     -0.041404
     10.95146     15.53793     16.48517        -0.083226     -0.088166      0.087481
     10.88172     14.15842     18.37903         0.016767      0.077191      0.246629
     10.83277     16.69224     18.72677        -0.107455     -0.017206      0.139637
     10.05794     16.70881     19.88055        -0.053312     -0.180057     -0.125861
      9.84931     17.88789     20.58877         0.099571     -0.007763     -0.098786
     11.45549     17.89868     18.40097         0.092840      0.119563     -0.049306
     11.29828     19.07716     19.16485         0.252071      0.067621     -0.164353
     10.42702     19.14421     20.32240        -0.032746      0.060446      0.036423
     10.08680     20.33896     -0.00588        -0.060756      0.007796      0.222135
      9.35101     20.30618      1.25188         0.006104     -0.114677      0.025048
      9.16653      0.18605      2.06615         0.108912     -0.006038     -0.154820
     10.49466      0.40056     20.95777        -0.015383     -0.010064      0.075240
     10.34097      1.52476      0.52556         0.043204      0.034454     -0.157384
      9.69526      1.44657      1.75837        -0.029570      0.138498      0.093483
      8.69990     19.08511      1.88820        -0.104573     -0.063992     -0.150021
     12.21516     20.18603     18.65176        -0.016141     -0.102047     -0.023843
      7.34267      7.68200     17.24489         0.060899     -0.091732      0.045328
      7.10054      8.59264     16.21889         0.082211      0.103628      0.055535
      7.05669      9.97314     16.48719         0.033203     -0.016166     -0.167374
      7.67961      8.11229     18.52242         0.037221      0.079617      0.000276
      7.70787      9.48792     18.76453         0.009646      0.032590     -0.014864
      7.34184     10.45947     17.79686        -0.037433      0.018972     -0.165244
      7.25987      6.29315     16.72025         0.055569      0.514671     -0.283380
      7.03441      7.79403     14.93525         0.160389      0.043207     -0.096131
      7.29209     11.92612     18.18927        -0.060202      0.123743     -0.121279
      7.07105     13.00406     17.27823         0.035531      0.072510     -0.066279
      7.08456     14.33167     17.73457         0.009005      0.002958     -0.049663
      7.47551     12.29336     19.54672         0.005542      0.115752      0.006750
      7.43790     13.61778     20.00998        -0.072392     -0.235298      0.010610
      7.23551     14.63784     19.08806        -0.049431      0.114329     -0.029310
      7.17166     16.12468     19.27420         0.081185     -0.487820     -0.671346
      7.02131     15.64305     16.98180         0.139047     -0.064250      0.427570
      7.51562     18.08058     17.67327         0.123043     -0.191939     -0.063396
      8.41097     18.41456     16.65798         0.096296      0.075631     -0.080585
      8.86050     19.72584     16.49196         0.024238      0.011770      0.141312
      7.04568     19.15539     18.43133        -0.055270      0.182650      0.046463
      7.45755     20.49822     18.22452        -0.085373      0.056965      0.224896
      8.46052     20.85407     17.24177         0.103171      0.028021     -0.097463
      9.09220      0.98048     16.92855        -0.218895     -0.044799      0.042680
      9.91444      1.38646     15.81330         0.147088      0.107842     -0.272450
     10.37309      2.71260     15.65226         0.049125     -0.292094     -0.126183
      8.85310      2.07437     17.77911         0.238815      0.096179      0.273984
      9.29583      3.39240     17.61486        -0.152079     -0.119482      0.104582
     10.05232      3.76541     16.51294         0.199252     -0.066256     -0.157107
     10.44756      0.53678     14.67138         0.168926     -0.369949     -0.328488
      6.71514      0.21046     19.14704         0.222517     -0.007232      0.000057
      6.85738     10.80296      6.36373        -0.000938     -0.062101      0.128905
      6.89637     11.26393      7.67750         0.036195      0.060473     -0.047721
      6.94971     12.63728      7.97548         0.056048      0.008281      0.013143
      6.87938     11.71380      5.31311        -0.022220      0.195363     -0.084586
      6.92439     13.08647      5.60918        -0.030123     -0.076151     -0.001818
      6.95598     13.60933      6.92718         0.040763     -0.065136      0.212053
      6.86057      9.30723      6.36050        -0.073604     -0.078168     -0.024137
      6.91180     10.05445      8.57194         0.006620     -0.063720      0.234134
      7.02299     15.11736      7.16002         0.085191     -0.096773      0.168341
      7.18355     15.71579      8.44452         0.081208     -0.046004      0.048655
      7.28303     17.11084      8.56694         0.004952     -0.011004     -0.053606
      6.99493     16.01754      6.06175         0.035148     -0.030056     -0.063142
      7.09058     17.41023      6.18723        -0.023060     -0.256031     -0.160801
      7.20902     17.94927      7.45787        -0.029200      0.018502      0.036090
      7.34712     19.37199      7.87684         0.012835      0.311527     -0.083437
      7.55792     17.98258      9.75767         0.094505      0.020545      0.296982
      7.79271     20.50331     10.12538        -0.098758     -0.035748      0.057976
      7.25591     20.49715     11.40851        -0.021221     -0.013368      0.087333
      7.23207      0.38800     12.18944        -0.089216      0.035690      0.038816
      8.46283      0.42126      9.76933         0.035060      0.047195     -0.083204
      8.57631      1.53400     10.63751         0.239496      0.208145     -0.265187
      7.84897      1.61645     11.88102        -0.098202     -0.124488     -0.102451
      7.62802      2.82017     12.79230        -0.331204     -0.129788      0.588071
      6.99392      2.81946     14.11247         0.050740     -0.126208     -0.306484
      6.79202      4.01267     14.82122         0.055672      0.118792      0.036274
      7.96216      4.12423     12.37825         0.052796      0.167701      0.135228
      7.84577      5.29875     13.14748         0.038403     -0.071819     -0.263570
      7.25672      5.26849     14.40743         0.011108      0.027677      0.099855
      6.35847      1.65575     14.88838         0.066963     -0.215731     -0.156554
      9.62170      2.54652     10.15157        -0.138711     -0.191461     -0.013512
      4.29622     11.58928     10.24570        -0.058265     -0.098030     -0.082511
      4.09452     12.45494      9.17370         0.020630     -0.121121      0.084611
      4.30149     13.83175      9.32320        -0.073907     -0.069139     -0.091666
      4.77506     12.05770     11.46422         0.010281     -0.006424      0.071454
      4.87457     13.43948     11.63956         0.022297     -0.055012      0.026106
      4.59251     14.36483     10.60848        -0.116206      0.073412     -0.245435
      3.87164     10.21560      9.87443        -0.011316      0.081296     -0.107290
      3.61673     11.62175      8.00930         0.031674     -0.102098      0.038716
      4.53603     15.84168     10.89458        -0.034617      0.016265     -0.152353
      4.08150     16.78226      9.92299         0.024422      0.127708      0.062156
      4.04093     18.14636     10.24252         0.086700     -0.017027      0.122261
      4.90808     16.33995     12.16722        -0.013905      0.079892     -0.022830
      4.77535     17.68603     12.51545        -0.005435     -0.180938     -0.019431
      4.33892     18.56773     11.53967        -0.014109     -0.085822     -0.021901
      4.22787     20.03398     11.63209        -0.010441     -0.439621     -0.549880
      3.83542     19.39337      9.41195         0.074254     -0.126132      0.083503
      4.40143      0.60466      9.94253         0.050134     -0.061715     -0.004348
      4.98572      0.96049      8.72653         0.065826      0.160145     -0.021418
      5.53161      2.23550      8.56824         0.118222     -0.183563      0.100165
      4.27815      1.64748     10.86021         0.000386      0.176973      0.003721
      4.72688      2.97736     10.63812        -0.092537      0.024856      0.154365
      5.49341      3.33114      9.46811         0.040330      0.083398      0.045646
      6.11683      4.69514      9.05945        -0.077963      0.185323     -0.025102
      6.56606      5.06684      7.73372        -0.062824     -0.073347     -0.169731
      6.79962      6.40468      7.34511        -0.041495     -0.175908     -0.019499
      6.16527      5.82056      9.93515        -0.062894     -0.143867     -0.222730
      6.36617      7.15831      9.54094         0.105063      0.031513      0.184899
      6.64693      7.50534      8.20656         0.036648     -0.047225     -0.039858
      6.81014      4.09614      6.57709         0.012709     -0.003304     -0.050332
      4.05293      3.80039     11.73877        -0.000195     -0.160821      0.125190
      0.75451     14.04458      1.10339        -0.161025      0.069831      0.033900
      1.49842     14.48459      2.19700        -0.044331     -0.019019     -0.096747
      1.54076     15.87989      2.48724        -0.019168     -0.139275     -0.010903
      0.12972     14.91755      0.22548         0.071482      0.072556      0.050426
      0.26554     16.28190      0.45654         0.131465     -0.120702      0.061815
      0.92138     16.82289      1.59422        -0.001328     -0.058499      0.062502
      0.70860     12.57478      1.04453        -0.410751     -0.465058     -0.440401
      2.12520     13.19705      2.78705         0.131615      0.211353      0.156137
      0.89609     18.35143      1.73407         0.084610     -0.005473      0.167007
      1.35636     19.10258      2.85891         0.034839     -0.031578      0.016715
      1.25591     20.51021      2.86100        -0.030425      0.002599     -0.120232
      0.36625     19.12024      0.66043         0.029337      0.027354      0.076570
      0.22663     20.50822      0.67936         0.031791     -0.127109     -0.058310
      0.67358     -0.06390      1.79390        -0.004212      0.190285      0.194969
      0.62734      1.40245      2.06798        -0.208544      0.172008     -0.196547
      1.71950      0.30087      3.83710         0.164297      0.035582      0.198585
      1.33791      2.86567      4.04582         0.057413     -0.094198      0.005909
      2.06599      2.97199      5.23993         0.049168      0.056848     -0.062221
      2.21567      4.19063      5.90199         0.064933      0.039163      0.006162
      0.68973      4.05311      3.64433        -0.016001      0.092360      0.028982
      0.75787      5.24760      4.39981         0.242410      0.137114      0.248379
      1.60330      5.41966      5.55778         0.028226     -0.227870     -0.233898
      1.95414      6.69734      6.34654         0.060983      0.174986     -0.067806
      2.38755      6.73042      7.71243         0.103609     -0.144987      0.112811
      2.84191      7.88689      8.35538        -0.010545      0.133032     -0.068235
      2.01642      8.00304      5.77042        -0.082322     -0.110894      0.006454
      2.47786      9.17080      6.41275         0.003648      0.049581     -0.207696
      2.92041      9.14204      7.74538         0.206303      0.129648      0.091410
      2.58129      5.53961      8.62156        -0.204025      0.000845      0.108733
     -0.08035      6.37012      3.85017         0.044488      0.066699     -0.311539
      4.47948     14.19362      0.57534         0.025937     -0.137962     -0.130062
      3.91147     15.11420     -0.29696        -0.132132      0.189732     -0.200364
      3.97753     16.50042     -0.05833        -0.121256      0.052434     -0.026270
      5.10212     14.64488      1.73276         0.046178      0.190149      0.120001
      5.11152     16.02114      2.00419        -0.098255      0.119952     -0.141224
      4.56002     17.01297      1.14088        -0.100775      0.189048     -0.003561
      4.27992     12.80968      0.03887        -0.059808      0.119387     -0.049051
      3.23607     14.32825     19.85492         0.068120     -0.210120      0.396411
      4.59197     18.50640      1.56176        -0.033441      0.023135     -0.071113
      4.15234     19.63401      0.78815        -0.072105     -0.047848     -0.003354
      4.28092     20.95197      1.29237        -0.003650     -0.193593     -0.030375
      5.09475     18.83371      2.85007        -0.055260     -0.025910     -0.073473
      5.26396     20.13811      3.33234         0.073003     -0.309694      0.072417
      4.88367     21.19622      2.52459         0.080449     -0.070367     -0.019859
      5.03570      1.39941      2.75039         0.072309      0.171921      0.095497
      3.84570      1.04046      0.76292        -0.133904      0.098921     -0.244306
      4.06144      3.47340      1.62885        -0.135390      0.363434     -0.203412
      3.25193      4.04475      0.62729        -0.063988     -0.011102      0.070958
      2.97630      5.41704      0.59530        -0.000019     -0.100746     -0.083810
      4.57435      4.41119      2.54710         0.078895     -0.246184      0.192832
      4.20305      5.77359      2.57146         0.044334      0.104835      0.036863
      3.36486      6.36393      1.57467         0.152468      0.195023     -0.091938
      2.93265      7.83802      1.54559        -0.184018     -0.022004     -0.165419
      1.67226      8.36357      1.10777        -0.335917      0.016426      0.037164
      1.28490      9.69723      1.35995         0.000204     -0.135840     -0.180649
      3.76945      8.86079      2.04187         0.126019      0.225824      0.037445
      3.41024     10.20125      2.27222        -0.354336      0.071247     -0.138031
      2.11410     10.67095      1.94763         0.326511     -0.135860     -0.174926
      0.63380      7.58799      0.28397         0.136668      0.078895     -0.271353
      4.86066      6.47577      3.75449         0.111911      0.070830     -0.151934
     18.02147     17.32064     13.97412        -0.113651     -0.108976      0.011145
     18.96492     17.78840     14.88367        -0.011761     -0.010734     -0.004567
     19.17135     19.15906     15.08648         0.017614      0.057628      0.100975
     17.33185     18.21593     13.16356        -0.018492      0.028790     -0.034319
     17.60398     19.58204     13.30308        -0.085182      0.010732     -0.014733
     18.46781     20.11073     14.29229         0.152121      0.067553      0.163904
     17.99335     15.82306     14.00538         0.276835      0.425028      0.154067
     19.68251     16.59163     15.43610         0.167697     -0.097156     -0.024399
     18.60772      0.35466     14.46805         0.074890     -0.044306      0.255537
     19.45117      0.94822     15.44954         0.019056      0.004919      0.084042
     19.49130      2.33897     15.60122         0.019338      0.064166     -0.032866
     17.84314      1.25664     13.68610        -0.070073     -0.027418     -0.061979
     17.88292      2.65088     13.84038        -0.087573     -0.159597     -0.092543
     18.71787      3.18809     14.81355        -0.070768      0.073391      0.042120
     18.94786      4.61028     15.22890         0.132158     -0.544852      0.134775
     20.29619      3.19469     16.53650         0.083236     -0.009507      0.210242
     20.49506      5.73699     16.91189         0.224167     -0.122170     -0.021689
      0.57914      5.75150     17.28606         0.079271     -0.372302     -0.037726
      1.21197      6.92040     17.69616        -0.023486      0.186325      0.063999
     19.81232      6.93211     17.15155        -0.239252     -0.039162     -0.153146
     20.41073      8.07797     17.71040         0.225924      0.373318      0.246661
      0.57971      8.15166     17.97011        -0.193195     -0.029630     -0.222149
      1.40797      9.33287     18.50328         0.170663      0.159662      0.074948
      2.76513      9.34688     19.02462         0.198211     -0.177981     -0.117333
      3.36237     10.54512     19.47252         0.405691     -0.191694      0.041167
      0.84782     10.63301     18.52003        -0.154942      0.072098     -0.126630
      1.43141     11.80326     19.02409         0.239414     -0.055628      0.091008
      2.73233     11.78324     19.54408        -0.129423      0.195349      0.004355
      3.88045      8.26835     19.04325        -0.118485      0.005558     -0.098553
     19.38080      9.17118     18.02587         0.126712     -0.114245      0.086182
      1.65758     18.35835     14.16092         0.107875     -0.010003     -0.160744
      0.99220     19.25845     13.32618        -0.038105      0.074864      0.159903
      1.05028     20.63446     13.54421        -0.020710     -0.076563     -0.066775
      2.41595     18.81052     15.23771        -0.144260     -0.092776      0.015627
      2.45889     20.18562     15.47005        -0.075706     -0.031026     -0.015109
      1.79548     21.12423     14.64647        -0.127770      0.129806     -0.052280
      1.40913     16.97673     13.67538        -0.019703      0.139547      0.077868
      0.23535     18.47339     12.30594         0.005439     -0.223321      0.086078
      1.93269      1.32669     14.92436        -0.176393     -0.016490     -0.182620
      1.42000      2.31071     14.04483         0.041691      0.017577     -0.000137
      1.70048      3.64927     14.29031        -0.058897      0.141517      0.173357
      2.59387      1.78210     16.08306         0.121678      0.012639      0.204404
      2.94223      3.11981     16.28244         0.043030     -0.125535      0.104971
      2.52836      4.04861     15.33888         0.037103     -0.184489      0.011277
      2.73679      5.51646     15.27487        -0.394721     -0.698623     -0.410305
      1.18665      4.87781     13.63726        -0.714618      0.294748     -0.687977
      1.39972      7.34805     14.20988        -0.108236     -0.155686     -0.038024
      0.07125      7.64586     13.92794         0.063799     -0.019606      0.013820
     20.87279      8.94480     14.07919        -0.062347     -0.041100      0.031192
      2.23377      8.42247     14.53620         0.024027      0.095025     -0.015301
      1.76768      9.74789     14.64234        -0.040223      0.143341      0.112012
      0.35889     10.07367     14.46548         0.068728      0.120273      0.042287
     20.87091     11.40992     14.62316        -0.023683     -0.110788     -0.013902
     19.47120     11.68244     14.32368        -0.294878     -0.204242     -0.023453
     18.93050     12.97618     14.42934        -0.035282     -0.084215      0.120612
      0.27851     12.56403     15.09923         0.002303     -0.105276     -0.076534
     -0.25860     13.84854     15.18131         0.036204      0.151309      0.126465
     19.67122     14.09195     14.83101         0.107248      0.231645     -0.014204
     18.34972     10.68043     13.95780         0.080574     -0.063986     -0.014278
      2.88469     10.71506     15.02648        -0.039769      0.003727      0.120930
     16.46219      0.43606      5.27804        -0.035073     -0.058231      0.056261
     16.95674      0.77079      6.53673        -0.032415      0.003692     -0.051121
     16.81819      2.07691      7.04339        -0.037039      0.022092     -0.070344
     15.85842      1.37558      4.47126        -0.041049      0.141566     -0.068253
     15.76344      2.67990      4.94923         0.007662     -0.048173      0.087739
     16.21652      3.08842      6.22887         0.094917      0.111008      0.133171
     16.77809     20.29319      4.93533         0.119096      0.149686      0.244578
     17.70459     20.81650      7.03276        -0.134728     -0.048798     -0.140227
     16.16459      4.58338      6.55230         0.058377     -0.041321      0.129863
     16.60247      5.21727      7.75709        -0.037139     -0.022429     -0.037443
     16.65050      6.62498      7.82824        -0.129395     -0.023317     -0.050171
     15.72340      5.45783      5.52474        -0.041595      0.058492      0.005586
     15.79853      6.84983      5.58812        -0.083519     -0.124931     -0.028558
     16.27479      7.42925      6.75325        -0.067745      0.030496      0.065848
     16.50415      8.86502      7.06835        -0.127013      0.293271     -0.206361
     17.15504      7.54876      8.90257         0.003626      0.009993      0.218500
     17.60452     10.08789      9.01157        -0.014230     -0.091773      0.022968
     18.62007      9.99890      9.96324        -0.141064     -0.161455      0.066610
     19.22820     11.13470     10.49030         0.149331      0.244759      0.198791
     17.20571     11.39646      8.69820        -0.036328      0.031253      0.012294
     17.83978     12.53946      9.23264         0.062397      0.238444      0.013778
     18.94015     12.47043     10.16183        -0.063264     -0.133198     -0.096228
     19.74128     13.61751     10.80261         0.162221     -0.005930      0.111750
     21.08576     13.57865     11.34814        -0.213067      0.068748     -0.057797
      0.43093     14.72209     11.90336        -0.076238      0.054557     -0.082475
     19.15842     14.89711     10.95696        -0.049597     -0.020851      0.046001
     19.78445     16.03659     11.47552        -0.259276      0.030103     -0.079492
     21.08125     15.97134     11.97265         0.059375      0.082193      0.004822
      0.87372     12.47687     11.29693         0.125086     -0.117240     -0.104825
     17.18229     13.82438      8.77948        -0.106857     -0.122938      0.096811
     20.22182      1.56724      6.28584         0.004073      0.012256     -0.015232
     19.61478      2.58221      5.53466         0.068487     -0.173924      0.013048
     19.46826      3.86167      6.02224        -0.091522      0.126806     -0.024473
     20.68286      1.82291      7.57188         0.017888     -0.147770     -0.073948
     20.53672      3.11994      8.06800        -0.109020      0.144702      0.030951
     19.94745      4.17135      7.31451         0.004479      0.040698      0.129525
     20.26420      0.33132      5.45931         0.059550     -0.040160     -0.035193
     19.23282      2.03559      4.19927        -0.107503      0.039695     -0.061448
     19.95029      5.59109      7.77283        -0.049987     -0.022774     -0.012859
     19.48937      6.60810      6.91036         0.100874      0.166603      0.122103
     19.81607      7.93203      7.17975         0.116826      0.034641      0.136988
     -0.76784      5.99698      9.01550        -0.035380      0.012304      0.039559
     -0.47719      7.33293      9.30071         0.053251     -0.042671      0.024392
     20.53707      8.28760      8.31563        -0.189053     -0.373713     -0.124030
     -0.33211      9.69591      8.19257         0.750782      0.975852      0.639906
     19.59585      9.15724      6.36763        -0.490356      0.155655     -0.843486
     20.26658     11.60942      6.63135        -0.178537     -0.247923     -0.019575
     19.27657     12.04790      5.73749         0.022372     -0.042378      0.121193
     19.11296     13.39716      5.46853        -0.047615      0.231518      0.095599
     21.14345     12.58611      7.13409        -0.028392      0.093886     -0.054614
     20.98636     13.94800      6.82278         0.032746      0.250025      0.063872
     19.89980     14.42957      6.02677         0.006052     -0.160603      0.034657
     19.45821     15.86020      5.87924        -0.078511      0.147004     -0.223909
     18.79822     16.43165      4.73985         0.002303     -0.148240      0.022679
     18.22304     17.70908      4.79846         0.028861     -0.013921     -0.079220
     19.54819     16.74034      6.98397        -0.014273     -0.051268     -0.011489
     19.02804     18.03180      7.02388        -0.096373      0.065685      0.020085
     18.29377     18.53298      5.94023        -0.041461     -0.012074     -0.053326
     18.57086     15.71360      3.40670         0.027246      0.059182      0.044003
      0.80299     14.87442      7.37089        -0.050872     -0.127116     -0.030969
     12.70421      5.27324      3.96564         0.069758     -0.017193     -0.028435
     13.44347      3.70469     20.53269         0.081789      0.036497     -0.007891
     13.26092      6.12024     21.00488         0.083901      0.018119     -0.043045
     12.95600      7.23773      4.38014         0.033485     -0.050182     -0.034848
     13.28537      8.03418      0.12046         0.038597     -0.057882     -0.112345
     13.66007     10.44056      0.59813        -0.035159     -0.097349     -0.065430
     13.44778     13.16800      8.91003        -0.066931     -0.019108      0.078698
     13.24445     11.32509      7.38331         0.064759      0.115203      0.083803
     14.31025     13.91867      4.16281         0.067040      0.013122     -0.139888
     12.64663     17.16592     11.40681         0.000598     -0.041950      0.005049
     15.52474     16.85951      7.45427        -0.049504     -0.007295      0.062711
     15.46512     18.93648      8.70714        -0.005642     -0.154458      0.013404
      9.43157      6.82586      3.05716         0.032348      0.016513     -0.084623
     10.46552      3.58420      6.72268         0.049926     -0.069562     -0.070148
     10.70136      5.98519      7.11182        -0.017449     -0.041512      0.080734
     10.01329      8.94733      3.48508        -0.004662     -0.074852     -0.123074
     10.09138      7.73765      7.64937         0.012041      0.035196     -0.012083
     10.27474     10.08084      8.35468        -0.041178      0.000031     -0.060214
     11.99982     16.01973      2.28612         0.067271     -0.064416     -0.110790
     11.39559     13.78997      2.79844        -0.006762      0.002929     -0.145928
     10.13964     15.04555      6.68579         0.045880      0.054250      0.014706
     13.45252     20.29694      1.20625        -0.059358     -0.010750      0.044879
     11.53619     19.29901      5.54743        -0.050790      0.090992     -0.078578
     12.01261      0.26762      5.03220         0.010759      0.030821      0.139725
     10.60006      9.17838     17.59452         0.099879     -0.082752     -0.003960
     10.70818      7.64457     12.83751         0.039761     -0.110892     -0.105658
     10.65760     10.03652     13.34975         0.088331     -0.114266     -0.024518
     10.82251     11.29120     17.94865         0.005325     -0.020284     -0.068921
     10.62204     11.81650     13.62608         0.063108      0.053249      0.073260
     10.81296     14.24860     13.89559        -0.027945     -0.017556     -0.022614
      9.15557     17.77210      0.13330        -0.106368     -0.023735      0.063604
      9.56594     15.79549     20.21074         0.060781      0.082990      0.112087
     12.09086     17.93470     17.51767        -0.051017      0.043023      0.118716
      8.61116      0.05647      2.98290        -0.030476      0.089408      0.191461
     10.96950      0.61091     20.01450         0.160432     -0.033680     -0.114239
     10.75713      2.47210      0.19104        -0.082353      0.061885     -0.128541
      6.81096     10.66595     15.67959         0.011505     -0.028035     -0.003668
      7.95853      7.40040     19.30326        -0.073225      0.033894     -0.047523
      8.04342      9.81070     19.74844        -0.077341     -0.032974      0.053893
      6.90253     12.83517     16.21378         0.070364     -0.110978     -0.044319
      7.65025     11.52000     20.29243        -0.052425      0.044216      0.036684
      7.57466     13.81821     -0.18321        -0.002933      0.049218     -0.090874
      9.59292     19.84612     15.71265         0.156270     -0.066982      0.021651
      8.81995     17.66043     15.99532         0.076270     -0.153024     -0.077544
      6.33634     18.95312     19.22616        -0.030816      0.032190      0.047470
     10.96452      2.90880     14.76666         0.009640      0.131593      0.102227
      8.30666      1.92535     18.69143        -0.128091      0.003057      0.047659
      8.95607      4.12685     18.32362         0.039668      0.189399      0.393845
      6.97644     12.93859      9.02312         0.089825      0.028823      0.000575
      6.87668     11.38322      4.27119        -0.033848     -0.028759      0.067412
      6.95410     13.77395      4.76261        -0.021053     -0.075379      0.013968
      7.26415     15.10806      9.34731         0.024289     -0.033985     -0.022423
      6.94407     15.61693      5.05005        -0.046015      0.017736     -0.016516
      7.16076     18.05021      5.30416        -0.149463     -0.050408      0.034222
      6.65606      0.28139     13.09251        -0.009424      0.018762     -0.044338
      6.82454     19.58550     11.80120        -0.128064     -0.068449      0.113038
      8.91939      0.49236      8.78712         0.174434     -0.043514     -0.039337
      6.25883      3.95654     15.75828         0.033821      0.052599      0.109799
      8.35040      4.27017     11.38147         0.139945      0.019023     -0.093338
      8.24087      6.22942     12.74697        -0.090425      0.051386     -0.135227
      4.24474     14.48237      8.45215        -0.232329      0.008593      0.012256
      5.02050     11.37129     12.27855        -0.113883      0.032881     -0.070700
      5.13976     13.80711     12.62884         0.028835     -0.033472      0.050421
      3.77245     16.44960      8.93415         0.011153      0.015477     -0.112715
      5.33504     15.68135     12.91930        -0.032310     -0.095755      0.041386
      5.05675     18.04578     13.50730        -0.010314     -0.063982     -0.018561
      6.07428      2.31734      7.65279         0.034529     -0.024238     -0.094623
      5.08182      0.25981      7.90231         0.060107     -0.094069     -0.012974
      3.79673      1.42057     11.80488        -0.067139      0.110105      0.009539
      7.06567      6.57227      6.30838         0.049713      0.104249      0.011949
      6.00131      5.66592     10.99837        -0.063170      0.044525     -0.149141
      6.28722      7.94606     10.28888         0.044122     -0.130440      0.123013
      2.03416     16.24001      3.39528         0.064365     -0.090676     -0.085000
     -0.42503     14.53980     20.62346        -0.006536      0.024954      0.040502
     -0.14513     16.93720     20.95604        -0.201922      0.013895      0.043444
      1.78818     18.59875      3.72475         0.003382      0.013777      0.057463
      0.04381     18.63257     21.00868        -0.076790     -0.065791     -0.116889
     -0.20561     -0.21700     21.09382        -0.023476      0.025508     -0.088213
      2.90071      4.14362      6.73377        -0.010639      0.017778     -0.135373
      2.54624      2.09521      5.66020         0.164345     -0.019016     -0.001411
      0.09224      4.06852      2.73670        -0.090916     -0.087833      0.012553
      3.15319      7.80942      9.38399         0.050714     -0.007909      0.156351
      1.72615      8.14380      4.73001         0.060348     -0.085889      0.070012
      2.52336     10.10480      5.85131        -0.074042     -0.084081     -0.061536
      3.54710     17.16387     20.45034        -0.082014      0.126279      0.015604
      5.53398     13.94538      2.45085         0.008740     -0.000311     -0.032132
      5.55957     16.32452      2.94741         0.078442     -0.007342     -0.000724
      3.71001     19.50459     -0.20297         0.017254     -0.052595      0.033916
      5.40045     18.02966      3.51396         0.007393      0.006906      0.084422
      5.69557     20.30955      4.32096        -0.016584      0.009012     -0.018859
      2.45366      5.74828     -0.29234        -0.169866      0.011075      0.168949
      2.80607      3.40831     -0.12997         0.042307      0.038365     -0.163660
      5.27236      4.07230      3.30661        -0.094566     -0.091952      0.065608
      0.30728      9.99832      1.01066        -0.078484      0.015683      0.019804
      4.80438      8.60347      2.24335         0.105495      0.076878      0.067101
      4.16725     10.87773      2.65123         0.080752      0.082885      0.084645
     19.87935     19.47157     15.85720         0.022778      0.026870     -0.055340
     16.63113     17.86109     12.40320         0.001241      0.032347      0.044981
     17.12831     20.25844     12.59502        -0.115745     -0.003171      0.032893
     20.06898      0.34819     16.11562         0.055301     -0.120723      0.009604
     17.16205      0.85958     12.93195         0.024548      0.066108      0.012359
     17.25335      3.28495     13.21144         0.060164      0.024915      0.050935
      2.28018      6.83087     17.81973        -0.014156      0.045632      0.040520
      1.13519      4.81424     17.25956         0.090851      0.190932     -0.068711
     18.76386      6.99348     16.89839        -0.232175     -0.031527     -0.008640
      4.40092     10.47522     19.78327        -0.167172      0.172410      0.091903
     -0.13411     10.77169     18.07960         0.166477      0.060648      0.118727
      0.86060     12.72199     19.01708        -0.188381      0.190389     -0.117055
      0.52231      0.04735     12.86160         0.025059     -0.064559      0.082774
      2.93736     18.10988     15.89527        -0.032516      0.026972     -0.063682
      3.02944     20.54800     16.32275         0.108919     -0.069021     -0.024199
      0.82673      2.05298     13.16990        -0.044113     -0.043103     -0.051753
      2.83826      1.07725     16.88004         0.124930      0.068898     -0.105507
      3.47467      3.41398     17.18869         0.081221      0.032451     -0.069322
     19.82357      9.02875     13.90165        -0.144243      0.040843      0.031418
     20.63414      6.86434     13.63775        -0.100341      0.028567      0.008792
      3.27559      8.20377     14.74527         0.024611      0.141500     -0.038586
     17.88401     13.11331     14.19442        -0.062673      0.030080     -0.043995
      1.30262     12.49219     15.43414         0.043456     -0.019847     -0.078365
      0.37864     14.67274     15.49054         0.077063     -0.121664      0.136064
     17.24054      2.31320      8.02211        -0.017721      0.044275      0.009765
     15.53762      1.10709      3.46366        -0.023273      0.045790      0.052964
     15.35108      3.40928      4.26150        -0.027445     -0.027471     -0.008506
     16.92732      4.64211      8.62899         0.017897     -0.035875     -0.099336
     15.29094      5.03546      4.62131         0.147380      0.146016     -0.059217
     15.49984      7.45411      4.73225        -0.003986      0.043636      0.028575
     19.97727     10.95334     11.24212        -0.001973     -0.045315     -0.059624
     18.92798      9.02225     10.31530         0.055509     -0.014140      0.164236
     16.37752     11.54685      8.01683        -0.018755      0.009123     -0.122317
      1.42800     14.62033     12.29639         0.141819      0.099696      0.056262
     18.11966     15.03613     10.69185        -0.085274     -0.031042      0.039696
     19.23556     16.97348     11.52524        -0.089498     -0.008593     -0.125113
     18.99264      4.60598      5.38205         0.077787     -0.044571      0.030133
     -0.08494      1.03182      8.15108        -0.121931      0.171781     -0.020709
     -0.31157      3.32276      9.05355        -0.082730      0.060621      0.096479
     18.95511      6.38266      5.99628        -0.072432     -0.011043     -0.070289
     -0.52042      5.24548      9.76393        -0.036411      0.066585      0.073683
     -0.07353      7.61629     10.27002         0.219975     -0.022421      0.059789
     18.27290     13.66097      4.84033        -0.129159      0.002654      0.016623
     18.59225     11.32747      5.30605        -0.095515     -0.005069     -0.104577
      0.69041     12.30131      7.79447         0.124034     -0.091365      0.012522
     17.65227     18.03742      3.93760         0.058689      0.107802     -0.039824
     19.99220     16.37983      7.90673         0.053014      0.025408     -0.061685
     19.16782     18.64978      7.90636         0.000455     -0.095643      0.121481
     13.97797     19.12391     10.72129        -0.049159      0.040320      0.035670
     19.54928      0.05304      3.46152        -0.042885      0.035083      0.056834
     12.97527      1.24218      2.66198         0.046583     -0.181364     -0.107986
     13.63480     11.38331      4.69861         0.049932      0.066501      0.210738
      9.62940      2.56716      2.67955        -0.058176     -0.071912     -0.160760
     10.37501     12.83901      5.12525        -0.014199      0.144645     -0.143392
     10.41833      5.12438     16.19549        -0.016759      0.012993      0.497623
     10.91837     15.51764     17.90567         0.145987      0.027036      0.220469
      7.17380      6.40692     15.29508        -0.185530     -0.172998      0.048983
      7.20661     16.69078     17.96338        -0.153937      0.096482     -0.209858
      6.77763      8.87731      7.73541         0.022207      0.111633      0.089351
      7.63291     19.34988      9.27462        -0.006072     -0.182203      0.053176
      3.44830     10.26498      8.49185         0.032542     -0.059434      0.002991
      4.06993     20.51360     10.30105         0.001947      0.166004     -0.167139
      1.68933     12.07483      1.94965        -0.005249     -0.125403      0.199606
      1.24104      1.60083      3.33811         0.170317      0.008121      0.321471
      3.38739     12.91908     20.18240        -0.038155      0.166414     -0.042423
      4.31667      2.05388      1.70619        -0.126705     -0.061280     -0.310548
     19.11531     15.42090     14.81295        -0.124739      0.078012     -0.066627
     19.91133      4.56642     16.28539         0.079922      0.047713      0.227247
      0.48041     17.08829     12.59119        -0.037362     -0.131886      0.026724
      1.83359      5.99140     14.27498         0.007673      0.065611     -0.030668
     17.63559     19.81279      5.97423        -0.051781     -0.136711      0.053398
     17.04812      8.90562      8.38519         0.140448      0.058085      0.239315
     19.62598      0.68920      4.25480        -0.050302     -0.119950     -0.197081
     20.30333     10.22547      7.01905        -0.055635     -0.000300     -0.104455
     12.59001      2.36736      4.70881         0.174922      0.038573     -0.105388
     13.72716      0.98307      0.41941         0.102314     -0.209176     -0.172529
     13.27323      9.55197      6.17234         0.026395      0.052988     -0.164264
     14.04186     12.50825      2.64509        -0.017906      0.069671      0.005418
      9.45277      4.39115      1.18392        -0.017637     -0.139961      0.374653
      9.73445      1.39660      4.73033        -0.049318      0.292569     -0.244644
     10.16191     11.87877      2.96434        -0.061591      0.012818      0.098329
     10.25821     12.97044      7.47840        -0.079854      0.320260      0.537309
     10.44346      6.19384     18.31483        -0.035153     -0.173329      1.437480
     10.76966      4.87960     13.88186         0.151090     -0.597407     -0.936310
     10.86318     13.81798     19.55231         0.020350      0.053793     -0.117816
     11.00014     16.53919     15.78902         0.031733      0.122040     -0.121551
      6.96864      8.20177     13.78812        -0.124622      0.066226     -0.014069
      7.28116      5.26014     17.36174        -0.172303     -0.176243      0.134756
      6.85779     15.82161     15.79129         0.008798      0.088207     -0.323646
      7.09368     16.74324     20.31361        -0.140934      0.298600      0.474129
      7.04800     10.03872      9.78651        -0.001144     -0.040937     -0.128645
      6.96400      8.58290      5.38170        -0.130627      0.108997      0.231340
      7.70591     17.64253     10.92331         0.039374      0.050529     -0.351434
      7.19793     20.37672      7.18873         0.185783     -0.315309      0.241920
      3.41486     11.97631      6.86206         0.027882     -0.062230     -0.034340
      3.87126      9.23927     10.60891        -0.022433      0.021010     -0.044803
      3.55783     19.48153      8.23114         0.088557      0.080482     -0.042656
      4.26963     20.70587     12.63986        -0.021744      0.364524      0.572291
      2.86087     13.08537      3.75102        -0.072840     -0.005601     -0.251665
     -0.06860     11.92287      0.34629         0.447964      0.323908      0.292939
      2.41297      0.14098      4.82818        -0.241988      0.024559     -0.247669
      0.13535      2.26991      1.35497         0.230149     -0.234404      0.241766
      2.66606     14.75468     18.87351        -0.248264      0.103178     -0.324897
      4.79940     11.77761      0.43993         0.031904      0.113063      0.014201
      3.18087      1.27482     -0.23638         0.247509     -0.160608      0.217513
      5.68795      1.95454      3.62432        -0.127034     -0.179757     -0.080878
     -0.64134     16.58580     16.22093        -0.055495      0.029534      0.107691
     17.18395     15.09187     13.46916        -0.126743     -0.192815     -0.119307
     -0.13417      2.81919     17.35514        -0.267847      0.206679     -0.113919
     18.43442      5.61160     14.77186        -0.131702      0.400822     -0.103919
     20.79060     18.88087     11.39996        -0.161750      0.159573     -0.183291
      1.88717     15.93957     14.10555         0.048253     -0.081134      0.012217
      0.32341      4.96652     12.75832         0.653769     -0.051268      0.621049
      3.51187      6.18295     15.92615         0.501871      0.439376      0.243671
     18.28118     20.67726      8.09615        -0.015443     -0.039455      0.101289
     16.38020     19.68279      3.95554         0.072885     -0.042363     -0.084656
     17.59107      7.24530     10.00208        -0.177718      0.069798     -0.200085
     16.30308      9.83237      6.34127        -0.020002     -0.298705      0.359917
     18.70024      2.59019      3.24418         0.109086     -0.156049      0.284889
     20.74224     20.48645      5.69739        -0.098290      0.235950     -0.013841
     18.92479      9.24712      5.33719         0.576389     -0.045656      0.706844
      0.43135     10.32859      8.92640        -0.598831     -0.605629     -0.650463
     14.10454     17.25381      5.67414        -0.044198      0.029736      0.073355
     16.06572     16.25359      5.68431        -0.124919     -0.117998      0.056527
     14.69818     15.97605      4.03201        -0.077612     -0.062634     -0.101111
     11.65634     15.25459     11.44416        -0.092572     -0.037033     -0.014985
     11.44493     14.30381      9.49188        -0.160153     -0.062396      0.045992
     13.14445     13.79517     10.80715        -0.092629      0.004819      0.083050
     11.92624     18.09085      7.09715        -0.152792     -0.108702     -0.022871
      9.87763     18.52619      6.38362         0.100386     -0.075447      0.001603
     10.25914     16.86474      7.73626         0.038290     -0.065534     -0.132926
     13.79754     18.52012      0.28629        -0.014403      0.056191      0.019915
     14.23253     16.98198      1.74135        -0.115819     -0.094785      0.133180
     12.28310     17.03341      0.71661         0.110409      0.117956      0.009334
     11.52933      0.04360     18.23366         0.075916      0.079182      0.026744
     13.11268     -0.68743     19.59831        -0.114121      0.168651      0.045839
     12.96251     19.82934     17.56026        -0.029248     -0.094139      0.116937
      8.09247     19.34236      3.08213         0.131757      0.090001      0.287612
      7.69011     18.53975      1.12326         0.063745      0.161994      0.005200
      9.58832     18.08066      2.15718        -0.026849     -0.077386      0.001498
      7.54868      0.85419     20.04199        -0.185778     -0.167806      0.099399
      6.02756      1.17378     18.47405         0.112431      0.005237      0.104350
      5.78479     20.86103     19.94254        -0.026087     -0.175330     -0.080493
     10.94746      1.27406     13.62373         0.001385     -0.202214      0.210831
     11.49881     -0.26478     15.08420        -0.314291      0.049045     -0.084739
      9.52133     20.97382     14.07452         0.217912      0.110892      0.075192
      9.09614      3.67647      9.55046        -0.014153     -0.057971      0.055264
     10.42707      2.97095     11.15904        -0.028791      0.079589      0.109984
     10.45935      2.01602      9.20267        -0.059675     -0.011182      0.055846
      6.06110      2.01146     16.16050        -0.023850      0.064662      0.272388
      5.17106      1.22513     14.36948        -0.018947      0.068534     -0.260278
      7.12755      0.52067     15.01452        -0.037048      0.310810     -0.168434
      4.26392      5.13002     11.87344         0.142607     -0.039696     -0.160289
      2.68170      3.65178     11.58053         0.197898      0.177057     -0.032599
      4.33701      3.27834     12.98356        -0.047026      0.137939     -0.267902
      7.38767      4.67956      5.49002        -0.173269      0.172511      0.047696
      7.68264      3.07852      6.91289        -0.111874      0.154337     -0.009383
      5.66103      3.52302      6.09468         0.127154     -0.018315      0.132096
     -0.56658      7.23953      4.76345         0.072977     -0.051944      0.243529
      0.67341      7.15913      3.02798         0.106234      0.038605      0.118381
     -1.16902      5.95268      3.13889         0.103709     -0.178574      0.019077
      2.79047      5.87814      9.92231        -0.300999      0.129382     -0.016159
      1.57229      4.62141      8.64935        -0.047673     -0.030353     -0.181798
      3.70078      4.85137      8.25616         0.190550     -0.101688     -0.081413
      6.17901      6.76215      3.46080        -0.152810     -0.049976     -0.075342
      4.30321      7.63732      4.20214        -0.024281     -0.299946     -0.089900
      4.87204      5.65684      4.84106         0.022641      0.041322      0.168362
     -0.41324      8.37814     21.16625         0.019219     -0.118849      0.153842
      1.21224      7.15894     -0.89305        -0.087988      0.154271      0.172515
      0.08262      6.46616      0.80207         0.018584     -0.184845      0.146794
     19.48763      9.67758     19.28796         0.066531     -0.051633     -0.101746
     19.45777     10.24297     17.16197        -0.032946     -0.033022      0.103160
     18.09665      8.71810     17.92670        -0.068152      0.015493     -0.027519
      4.82843      8.54713     19.99747         0.043617     -0.125113      0.014652
      3.56991      6.96335     19.28523        -0.142244      0.119422     -0.024592
      4.54567      8.27641     17.83996        -0.187095      0.045026     -0.018543
      3.02633     11.77952     14.18416        -0.108456     -0.019017      0.032146
      2.69743     11.23298     16.28839         0.145147      0.007053     -0.107837
      4.12739     10.13696     15.05863        -0.119904     -0.093856     -0.015298
     17.13887     11.27045     13.74839        -0.007656      0.167330      0.004195
     18.57739      9.96736     12.80176        -0.120177      0.072835      0.103515
     18.11933      9.75214     14.93290         0.045597     -0.036514      0.113028
     16.30618     14.28972      9.74491         0.111164      0.007922     -0.026810
     18.03187     14.84848      8.49480         0.134735     -0.004278     -0.010291
     16.44279     13.65809      7.65394         0.091050     -0.055056     -0.177667
      1.92470     12.74253     12.12233         0.184514      0.016871      0.073621
      0.51853     11.21227     11.65995        -0.096759     -0.034949     -0.099971
      1.41527     12.41050     10.04350        -0.171356      0.058139     -0.089680
      1.10951     15.88434      6.50316        -0.052321      0.038146      0.047123
      0.45913     15.46349      8.57370         0.093807     -0.037243     -0.088485
      1.97621     14.22640      7.62486        -0.183870      0.043855     -0.131582
     18.31392     16.57974      2.38165         0.130003      0.120815      0.049933
     19.64065     14.96165      3.00498         0.050118      0.030166      0.173799
     17.48852     14.86248      3.42066        -0.028700      0.088617      0.037130
 -----------------------------------------------------------------------------------
    total drift:                                0.025174     -0.023208      0.014699


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4580.2231466469 eV

  energy  without entropy=    -4580.3773078202  energy(sigma->0) =    -4580.27453370
 
 d Force = 0.1591690E-01[-0.836E-04, 0.319E-01]  d Energy = 0.1587003E-01 0.469E-04
 d Force = 0.1607815E+03[ 0.161E+03, 0.161E+03]  d Ewald  = 0.1607816E+03-0.436E-04


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   92(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3160
 total energy-change (2. order) : 0.9127856E+00  (-0.6232596E+02)
 number of electron    2498.0000016 magnetization 
 augmentation part      162.7320122 magnetization 

  free energy =  -0.457931036648E+04  energy without entropy=  -0.457946339436E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   92(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3536
 total energy-change (2. order) :-0.1365489E+01  (-0.1614881E+01)
 number of electron    2498.0000017 magnetization 
 augmentation part      162.7811134 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8529
  0.8529

  free energy =  -0.458067585537E+04  energy without entropy=  -0.458082957910E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   92(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3784
 total energy-change (2. order) : 0.4312789E-01  (-0.3034584E-01)
 number of electron    2498.0000016 magnetization 
 augmentation part      162.7309415 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4075
  1.0574  1.7576

  free energy =  -0.458063272748E+04  energy without entropy=  -0.458078614801E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   92(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3504
 total energy-change (2. order) :-0.6155898E-02  (-0.2424765E-01)
 number of electron    2498.0000017 magnetization 
 augmentation part      162.6971806 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2975
  2.1926  0.8499  0.8499

  free energy =  -0.458063888338E+04  energy without entropy=  -0.458079218378E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   92(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3768
 total energy-change (2. order) :-0.1211611E-02  (-0.4529297E-02)
 number of electron    2498.0000017 magnetization 
 augmentation part      162.7058002 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3564
  2.4332  1.0452  1.0452  0.9020

  free energy =  -0.458064009499E+04  energy without entropy=  -0.458079296833E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   92(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3544
 total energy-change (2. order) : 0.1247983E-02  (-0.2456341E-02)
 number of electron    2498.0000016 magnetization 
 augmentation part      162.7073967 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2822
  2.3897  0.9960  0.9960  1.0147  1.0147

  free energy =  -0.458063884700E+04  energy without entropy=  -0.458079197001E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   92(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3552
 total energy-change (2. order) : 0.7147432E-04  (-0.3149871E-03)
 number of electron    2498.0000017 magnetization 
 augmentation part      162.7106634 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2548
  2.3955  1.0273  1.0273  1.1937  1.1937  0.6912

  free energy =  -0.458063877553E+04  energy without entropy=  -0.458079140609E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   92(   8)  ---------------------------------------



 eigenvalue-minimisations  :  3576
 total energy-change (2. order) : 0.8507201E-04  (-0.8229039E-04)
 number of electron    2498.0000017 magnetization 
 augmentation part      162.7127978 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2205
  2.4589  1.0694  1.0694  1.2404  1.2404  0.8090  0.6562

  free energy =  -0.458063869046E+04  energy without entropy=  -0.458079148949E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   92(   9)  ---------------------------------------



 eigenvalue-minimisations  :  3584
 total energy-change (2. order) :-0.1979817E-04  (-0.2759706E-04)
 number of electron    2498.0000017 magnetization 
 augmentation part      162.7116792 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2380
  2.5173  1.7189  1.0393  1.0393  1.0763  0.9608  0.9608  0.5909

  free energy =  -0.458063871026E+04  energy without entropy=  -0.458079135639E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   92(  10)  ---------------------------------------



 eigenvalue-minimisations  :  3120
 total energy-change (2. order) : 0.3045745E-05  (-0.5965431E-05)
 number of electron    2498.0000017 magnetization 
 augmentation part      162.7116792 magnetization 

  free energy =  -0.458063870721E+04  energy without entropy=  -0.458079132037E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.9970       2 -56.1067       3 -55.9791       4 -55.8073       5 -55.8238
       6 -56.2582       7 -58.0933       8 -58.2284       9 -56.2406      10 -55.9110
      11 -56.0142      12 -55.8094      13 -55.7778      14 -55.9243      15 -58.0511
      16 -58.1485      17 -56.3347      18 -54.9990      19 -54.9135      20 -55.0439
      21 -55.6436      22 -55.5743      23 -55.5672      24 -55.5767      25 -54.9869
      26 -54.8130      27 -54.9303      28 -54.9156      29 -60.4044      30 -60.3554
      31 -55.7402      32 -55.8399      33 -55.7154      34 -55.5006      35 -55.5549
      36 -56.0317      37 -57.8432      38 -57.9918      39 -56.1464      40 -55.8743
      41 -56.0103      42 -55.7281      43 -55.7616      44 -55.9368      45 -58.0770
      46 -58.2117      47 -56.4663      48 -55.1228      49 -54.9632      50 -55.3099
      51 -55.9134      52 -55.8347      53 -55.7509      54 -55.7308      55 -55.0538
      56 -54.8531      57 -54.9407      58 -56.3492      59 -60.3202      60 -60.6217
      61 -55.9197      62 -56.0575      63 -55.9213      64 -55.7441      65 -55.7293
      66 -56.1732      67 -57.9703      68 -58.1733      69 -56.1814      70 -55.8826
      71 -55.9806      72 -55.7197      73 -55.6934      74 -55.8824      75 -57.9990
      76 -58.0898      77 -56.2725      78 -55.0447      79 -54.8745      80 -55.1991
      81 -55.7658      82 -55.7745      83 -55.8754      84 -55.8689      85 -55.2863
      86 -55.0380      87 -55.1928      88 -56.3786      89 -60.6213      90 -60.3433
      91 -55.7877      92 -55.9057      93 -55.7860      94 -55.5741      95 -55.6292
      96 -56.1140      97 -57.9206      98 -58.0492      99 -56.2062     100 -55.9172
     101 -56.0550     102 -55.7193     103 -55.7775     104 -55.9798     105 -58.1010
     106 -58.1852     107 -56.3867     108 -55.1237     109 -54.9607     110 -55.3786
     111 -55.8895     112 -55.8318     113 -55.6913     114 -55.6468     115 -55.0183
     116 -54.7803     117 -54.8968     118 -56.2145     119 -60.3161     120 -60.5911
     121 -55.9688     122 -56.0075     123 -55.8915     124 -55.7777     125 -55.7935
     126 -56.1983     127 -58.1048     128 -58.1824     129 -56.1827     130 -55.8232
     131 -55.9323     132 -55.7515     133 -55.7071     134 -55.8566     135 -57.9440
     136 -58.0432     137 -56.3318     138 -55.0560     139 -54.9296     140 -55.3232
     141 -55.8205     142 -55.7596     143 -55.8158     144 -55.7828     145 -55.1608
     146 -55.0722     147 -55.2036     148 -56.3408     149 -60.4315     150 -60.4984
     151 -55.6424     152 -55.7816     153 -55.6089     154 -55.4408     155 -55.4692
     156 -55.9229     157 -57.8826     158 -57.9659     159 -55.9929     160 -55.7463
     161 -55.9074     162 -55.5338     163 -55.5530     164 -55.7726     165 -57.9318
     166 -58.1028     167 -56.3785     168 -55.0687     169 -54.8998     170 -55.2127
     171 -55.8561     172 -55.8758     173 -55.8933     174 -55.8126     175 -55.2407
     176 -55.0885     177 -55.1545     178 -56.5119     179 -60.4687     180 -60.5724
     181 -55.7744     182 -56.0328     183 -55.8963     184 -55.5503     185 -55.5731
     186 -56.1387     187 -57.8647     188 -58.1579     189 -56.2009     190 -55.8571
     191 -56.0207     192 -55.6935     193 -55.6763     194 -55.8951     195 -57.9733
     196 -58.1646     197 -56.5246     198 -55.0648     199 -55.0100     200 -55.3342
     201 -55.8459     202 -55.8514     203 -55.8758     204 -55.7968     205 -55.0794
     206 -55.1979     207 -55.1518     208 -56.4365     209 -60.6078     210 -60.5004
     211 -55.9964     212 -56.0463     213 -55.9219     214 -55.8190     215 -55.7843
     216 -56.2599     217 -58.1285     218 -58.1506     219 -56.1686     220 -55.8509
     221 -55.9482     222 -55.6219     223 -55.5521     224 -55.8110     225 -57.9354
     226 -58.1351     227 -56.3985     228 -54.9664     229 -54.8991     230 -55.1432
     231 -55.7085     232 -55.7019     233 -55.6830     234 -55.6895     235 -55.0337
     236 -55.0575     237 -55.1406     238 -56.3907     239 -60.2844     240 -60.3762
     241 -55.9796     242 -56.0525     243 -55.9334     244 -55.7699     245 -55.7785
     246 -56.2317     247 -58.0925     248 -58.1696     249 -56.2217     250 -55.8779
     251 -55.9920     252 -55.7704     253 -55.7686     254 -55.9381     255 -58.0072
     256 -58.0911     257 -56.3360     258 -55.0732     259 -54.9324     260 -55.2523
     261 -55.7722     262 -55.7338     263 -55.7658     264 -55.8013     265 -55.1590
     266 -54.9290     267 -55.1384     268 -56.3420     269 -60.5219     270 -60.3820
     271 -55.8533     272 -55.9308     273 -55.7667     274 -55.6755     275 -55.6109
     276 -56.0052     277 -58.0370     278 -58.0917     279 -55.9113     280 -55.6515
     281 -55.7654     282 -55.4907     283 -55.4960     284 -55.7387     285 -57.9317
     286 -58.0305     287 -56.3043     288 -55.0242     289 -54.9086     290 -55.2341
     291 -55.8509     292 -55.8107     293 -55.8641     294 -55.8624     295 -55.1986
     296 -55.0125     297 -55.0485     298 -56.3927     299 -60.5209     300 -60.5353
     301 -55.8766     302 -56.0444     303 -55.9484     304 -55.6548     305 -55.6875
     306 -56.2109     307 -58.0311     308 -58.2450     309 -56.2581     310 -55.9549
     311 -56.0528     312 -55.7248     313 -55.7271     314 -55.9142     315 -57.9896
     316 -58.1667     317 -56.4468     318 -55.0841     319 -54.9405     320 -55.3096
     321 -55.8204     322 -55.7855     323 -55.8817     324 -55.8706     325 -55.2019
     326 -55.1166     327 -55.2217     328 -56.3991     329 -60.5244     330 -60.4823
     331 -55.7175     332 -55.7376     333 -55.6169     334 -55.5650     335 -55.5290
     336 -55.9556     337 -57.9123     338 -57.8857     339 -55.8566     340 -55.5923
     341 -55.7125     342 -55.4425     343 -55.4582     344 -55.7023     345 -57.9155
     346 -57.9470     347 -56.4090     348 -54.9964     349 -55.0082     350 -55.2793
     351 -55.7602     352 -55.7011     353 -55.6924     354 -55.7107     355 -55.1537
     356 -55.0037     357 -55.0329     358 -56.4164     359 -60.4590     360 -60.5068
     361 -39.0599     362 -38.7892     363 -38.9428     364 -39.0320     365 -38.9814
     366 -38.7296     367 -38.1002     368 -38.1160     369 -38.1133     370 -38.1121
     371 -38.0721     372 -38.1473     373 -38.7264     374 -38.3779     375 -38.7472
     376 -38.8868     377 -38.8573     378 -38.7909     379 -38.1582     380 -38.1313
     381 -38.2989     382 -38.0337     383 -38.2400     384 -37.9248     385 -38.9265
     386 -38.8093     387 -38.9533     388 -38.9427     389 -38.8976     390 -38.5861
     391 -38.2384     392 -38.2629     393 -38.2428     394 -38.3217     395 -38.1764
     396 -38.3410     397 -38.7735     398 -38.5038     399 -38.8434     400 -38.9019
     401 -38.8416     402 -38.7615     403 -38.1365     404 -38.1908     405 -38.4746
     406 -38.0377     407 -38.0704     408 -37.9369     409 -38.8168     410 -38.7860
     411 -38.9990     412 -38.8011     413 -39.0078     414 -38.7233     415 -38.1543
     416 -38.2973     417 -38.3512     418 -38.2406     419 -38.2499     420 -38.3460
     421 -38.6814     422 -38.3732     423 -38.6614     424 -38.7531     425 -38.5999
     426 -38.5668     427 -38.1997     428 -38.0465     429 -38.3063     430 -38.2232
     431 -38.1076     432 -38.0078     433 -38.7299     434 -38.5887     435 -38.8473
     436 -38.7007     437 -38.9703     438 -38.6791     439 -38.2129     440 -38.0341
     441 -38.2232     442 -38.1240     443 -38.1834     444 -38.0725     445 -38.8784
     446 -38.8882     447 -39.0196     448 -38.7601     449 -38.8576     450 -38.4476
     451 -37.9836     452 -37.9213     453 -38.0789     454 -37.9494     455 -38.1565
     456 -38.1470     457 -38.9695     458 -38.7430     459 -38.9429     460 -38.9469
     461 -38.9235     462 -38.7345     463 -38.1061     464 -38.3332     465 -38.3355
     466 -38.2431     467 -38.0878     468 -38.1582     469 -38.8946     470 -38.6458
     471 -38.7977     472 -38.8496     473 -38.6435     474 -38.5298     475 -38.3281
     476 -38.0969     477 -38.2703     478 -38.2363     479 -38.1919     480 -37.9729
     481 -38.8964     482 -38.7305     483 -38.9851     484 -38.9030     485 -39.0136
     486 -38.7611     487 -38.1425     488 -38.2133     489 -38.3146     490 -38.3313
     491 -38.2292     492 -38.3643     493 -38.8027     494 -38.5142     495 -38.6726
     496 -38.7634     497 -38.5067     498 -38.4905     499 -38.1445     500 -37.9484
     501 -38.3135     502 -38.1363     503 -38.1103     504 -38.0123     505 -38.2362
     506 -41.1192     507 -71.6650     508 -71.6298     509 -71.3790     510 -71.6118
     511 -71.5121     512 -71.5214     513 -71.4276     514 -71.5242     515 -71.6101
     516 -71.4531     517 -71.4359     518 -71.4619     519 -71.4598     520 -71.5758
     521 -71.5309     522 -71.5381     523 -71.5779     524 -71.4845     525 -71.5524
     526 -71.4218     527 -71.6218     528 -71.5606     529 -71.1479     530 -71.3941
     531 -76.8758     532 -76.7628     533 -76.7912     534 -76.7221     535 -76.6363
     536 -76.4712     537 -76.8645     538 -76.7569     539 -76.7910     540 -76.6540
     541 -76.7259     542 -76.6617     543 -76.6812     544 -76.6127     545 -76.8304
     546 -76.7772     547 -76.8315     548 -76.7567     549 -76.6934     550 -76.5762
     551 -76.5866     552 -76.5797     553 -76.7991     554 -76.6305     555 -76.7229
     556 -76.5511     557 -76.7941     558 -76.6055     559 -76.7748     560 -76.8254
     561 -76.7873     562 -76.5637     563 -76.7905     564 -76.7732     565 -76.7526
     566 -76.6471     567 -76.7154     568 -76.7342     569 -76.7904     570 -76.5970
     571 -76.8827     572 -76.7280     573 -76.8032     574 -76.6421     575 -76.5004
     576 -76.5579     577 -76.6933     578 -76.6516     579 -82.2898     580 -82.1981
     581 -82.2814     582 -82.3909     583 -82.3330     584 -82.2741     585 -82.4900
     586 -82.5107     587 -82.5283     588 -82.1833     589 -82.1688     590 -82.1861
     591 -82.2722     592 -82.1717     593 -82.2721     594 -82.6284     595 -82.5137
     596 -82.4932     597 -82.4700     598 -82.4450     599 -82.5493     600 -82.2535
     601 -82.0746     602 -82.2573     603 -82.3958     604 -82.4061     605 -82.3478
     606 -82.4056     607 -82.2074     608 -82.3114     609 -82.6564     610 -82.2940
     611 -82.3075     612 -82.3842     613 -82.3749     614 -82.2487     615 -82.6466
     616 -82.3603     617 -82.4173     618 -82.4894     619 -82.7071     620 -82.5762
     621 -82.1214     622 -82.3762     623 -82.2757     624 -82.1238     625 -82.1944
     626 -82.1769     627 -82.1424     628 -82.2474     629 -82.3393     630 -82.3603
     631 -82.5224     632 -82.2777     633 -82.4693     634 -82.3850     635 -82.4449
     636 -82.3817     637 -82.4061     638 -82.3267     639 -82.2792     640 -82.4963
     641 -82.4480     642 -82.3389     643 -82.4895     644 -82.3777     645 -82.4434
     646 -82.3585     647 -82.4575     648 -82.3342     649 -82.4017     650 -82.2862
 
 
 
 E-fermi :  -1.4737     XC(G=0):  -6.5431     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.0229      2.00000
      2     -28.9343      2.00000
      3     -28.9006      2.00000
      4     -28.8431      2.00000
      5     -28.8061      2.00000
      6     -28.8031      2.00000
      7     -28.8001      2.00000
      8     -28.7659      2.00000
      9     -28.7494      2.00000
     10     -28.7463      2.00000
     11     -28.7458      2.00000
     12     -28.7413      2.00000
     13     -28.7024      2.00000
     14     -28.6838      2.00000
     15     -28.6497      2.00000
     16     -28.6457      2.00000
     17     -28.6332      2.00000
     18     -28.6102      2.00000
     19     -28.5921      2.00000
     20     -28.5624      2.00000
     21     -28.5564      2.00000
     22     -28.5438      2.00000
     23     -28.5259      2.00000
     24     -28.4820      2.00000
     25     -26.7409      2.00000
     26     -26.6162      2.00000
     27     -26.6154      2.00000
     28     -26.5847      2.00000
     29     -26.5623      2.00000
     30     -26.5534      2.00000
     31     -26.5431      2.00000
     32     -26.5413      2.00000
     33     -26.5376      2.00000
     34     -26.5333      2.00000
     35     -26.5075      2.00000
     36     -26.5041      2.00000
     37     -26.4980      2.00000
     38     -26.4947      2.00000
     39     -26.4905      2.00000
     40     -26.4866      2.00000
     41     -26.4492      2.00000
     42     -26.4332      2.00000
     43     -26.4223      2.00000
     44     -26.4221      2.00000
     45     -26.4130      2.00000
     46     -26.4107      2.00000
     47     -26.4097      2.00000
     48     -26.3943      2.00000
     49     -26.3816      2.00000
     50     -26.3814      2.00000
     51     -26.3801      2.00000
     52     -26.3655      2.00000
     53     -26.3646      2.00000
     54     -26.3595      2.00000
     55     -26.3405      2.00000
     56     -26.3341      2.00000
     57     -26.3178      2.00000
     58     -26.3135      2.00000
     59     -26.3027      2.00000
     60     -26.2898      2.00000
     61     -26.2791      2.00000
     62     -26.2779      2.00000
     63     -26.2590      2.00000
     64     -26.2538      2.00000
     65     -26.2493      2.00000
     66     -26.2313      2.00000
     67     -26.2242      2.00000
     68     -26.2154      2.00000
     69     -26.1913      2.00000
     70     -26.1789      2.00000
     71     -26.1760      2.00000
     72     -26.1192      2.00000
     73     -23.2050      2.00000
     74     -23.1706      2.00000
     75     -23.1609      2.00000
     76     -23.1562      2.00000
     77     -23.1543      2.00000
     78     -23.1291      2.00000
     79     -23.1194      2.00000
     80     -23.1181      2.00000
     81     -23.1154      2.00000
     82     -23.1109      2.00000
     83     -23.0897      2.00000
     84     -23.0798      2.00000
     85     -23.0628      2.00000
     86     -23.0617      2.00000
     87     -23.0560      2.00000
     88     -23.0341      2.00000
     89     -23.0276      2.00000
     90     -23.0216      2.00000
     91     -22.9874      2.00000
     92     -22.9513      2.00000
     93     -22.9321      2.00000
     94     -22.9093      2.00000
     95     -22.9010      2.00000
     96     -22.8747      2.00000
     97     -22.7787      2.00000
     98     -22.7555      2.00000
     99     -22.7299      2.00000
    100     -22.7289      2.00000
    101     -22.7218      2.00000
    102     -22.7001      2.00000
    103     -22.6998      2.00000
    104     -22.6976      2.00000
    105     -22.6836      2.00000
    106     -22.6426      2.00000
    107     -22.6242      2.00000
    108     -22.6146      2.00000
    109     -22.6020      2.00000
    110     -22.5939      2.00000
    111     -22.5888      2.00000
    112     -22.5832      2.00000
    113     -22.5779      2.00000
    114     -22.5561      2.00000
    115     -22.5534      2.00000
    116     -22.5285      2.00000
    117     -22.4916      2.00000
    118     -22.4901      2.00000
    119     -22.4319      2.00000
    120     -22.3967      2.00000
    121     -20.4520      2.00000
    122     -20.4317      2.00000
    123     -20.3911      2.00000
    124     -20.3833      2.00000
    125     -20.3831      2.00000
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   1267       0.7112     -0.00000
   1268       0.7490     -0.00000
   1269       0.7641     -0.00000
   1270       0.7668     -0.00000
   1271       0.7930     -0.00000
   1272       0.8426     -0.00000
   1273       0.8508     -0.00000
   1274       0.8841     -0.00000
   1275       0.8938     -0.00000
   1276       0.9042     -0.00000
   1277       0.9136     -0.00000
   1278       0.9462     -0.00000
   1279       0.9835     -0.00000
   1280       1.0052     -0.00000
   1281       1.0077     -0.00000
   1282       1.0685     -0.00000
   1283       1.0959     -0.00000
   1284       1.1227     -0.00000
   1285       1.2461     -0.00000
   1286       1.2645     -0.00000
   1287       1.2780     -0.00000
   1288       1.3228     -0.00000
   1289       1.4143     -0.00000
   1290       1.4207     -0.00000
   1291       1.4505     -0.00000
   1292       1.5024     -0.00000
   1293       1.5257     -0.00000
   1294       1.5686     -0.00000
   1295       1.6120     -0.00000
   1296       1.6196     -0.00000
   1297       1.6841     -0.00000
   1298       1.8325     -0.00000
   1299       1.8666     -0.00000
   1300       1.8861     -0.00000
   1301       1.9035     -0.00000
   1302       1.9229     -0.00000
   1303       1.9527     -0.00000
   1304       1.9948     -0.00000
   1305       2.0211     -0.00000
   1306       2.0347     -0.00000
   1307       2.0487     -0.00000
   1308       2.0582     -0.00000
   1309       2.1235     -0.00000
   1310       2.1281     -0.00000
   1311       2.1634     -0.00000
   1312       2.1731     -0.00000
   1313       2.1818     -0.00000
   1314       2.2100     -0.00000
   1315       2.2201     -0.00000
   1316       2.2284     -0.00000
   1317       2.2459     -0.00000
   1318       2.2691     -0.00000
   1319       2.2804     -0.00000
   1320       2.3176     -0.00000
   1321       2.3430     -0.00000
   1322       2.4239     -0.00000
   1323       2.4284     -0.00000
   1324       2.4486     -0.00000
   1325       2.4669     -0.00000
   1326       2.4959     -0.00000
   1327       2.5142     -0.00000
   1328       2.5258     -0.00000
   1329       2.5441     -0.00000
   1330       2.5522     -0.00000
   1331       2.5562     -0.00000
   1332       2.5729     -0.00000
   1333       2.5805     -0.00000
   1334       2.5919     -0.00000
   1335       2.6017     -0.00000
   1336       2.6231     -0.00000
   1337       2.6432     -0.00000
   1338       2.6459     -0.00000
   1339       2.6606     -0.00000
   1340       2.6720     -0.00000
   1341       2.6960     -0.00000
   1342       2.7028     -0.00000
   1343       2.7159     -0.00000
   1344       2.7791     -0.00000
   1345       2.8060     -0.00000
   1346       2.9607     -0.00000
   1347       2.9742     -0.00000
   1348       3.0192     -0.00000
   1349       3.0350     -0.00000
   1350       3.0551     -0.00000
   1351       3.0605     -0.00000
   1352       3.0686     -0.00000
   1353       3.0908     -0.00000
   1354       3.0948     -0.00000
   1355       3.1097     -0.00000
   1356       3.1513     -0.00000
   1357       3.1649     -0.00000
   1358       3.1660     -0.00000
   1359       3.1756     -0.00000
   1360       3.2157     -0.00000
   1361       3.2335     -0.00000
   1362       3.2698     -0.00000
   1363       3.4073     -0.00000
   1364       3.5146     -0.00000
   1365       3.5256     -0.00000
   1366       3.5873     -0.00000
   1367       3.6298     -0.00000
   1368       3.6787     -0.00000
   1369       3.7010     -0.00000
   1370       3.7532     -0.00000
   1371       3.7726     -0.00000
   1372       3.8006     -0.00000
   1373       3.8418     -0.00000
   1374       3.8570      0.00000
   1375       3.8643      0.00000
   1376       3.8868      0.00000
   1377       3.8977      0.00000
   1378       3.9035      0.00000
   1379       3.9213      0.00000
   1380       3.9354      0.00000
   1381       3.9442      0.00000
   1382       3.9607      0.00000
   1383       3.9680      0.00000
   1384       3.9812      0.00000
   1385       3.9919      0.00000
   1386       4.0076      0.00000
   1387       4.0194      0.00000
   1388       4.0253      0.00000
   1389       4.0324      0.00000
   1390       4.0490      0.00000
   1391       4.0572      0.00000
   1392       4.0764      0.00000
   1393       4.0859      0.00000
   1394       4.0938      0.00000
   1395       4.1108      0.00000
   1396       4.1148      0.00000
   1397       4.1276      0.00000
   1398       4.1512      0.00000
   1399       4.1668      0.00000
   1400       4.1837      0.00000
   1401       4.1890      0.00000
   1402       4.1989      0.00000
   1403       4.2077      0.00000
   1404       4.2206      0.00000
   1405       4.2375      0.00000
   1406       4.2534      0.00000
   1407       4.2584      0.00000
   1408       4.2882      0.00000
   1409       4.2976      0.00000
   1410       4.3038      0.00000
   1411       4.3197      0.00000
   1412       4.3362      0.00000
   1413       4.3474      0.00000
   1414       4.3596      0.00000
   1415       4.3659      0.00000
   1416       4.3844      0.00000
   1417       4.4000      0.00000
   1418       4.4018      0.00000
   1419       4.4152      0.00000
   1420       4.4235      0.00000
   1421       4.4291      0.00000
   1422       4.4472      0.00000
   1423       4.4711      0.00000
   1424       4.4793      0.00000
   1425       4.4991      0.00000
   1426       4.5052      0.00000
   1427       4.5257      0.00000
   1428       4.5508      0.00000
   1429       4.5808      0.00000
   1430       4.6041      0.00000
   1431       4.6157      0.00000
   1432       4.6349      0.00000
   1433       4.6681      0.00000
   1434       4.6808      0.00000
   1435       4.7294      0.00000
   1436       4.7627      0.00000
   1437       4.7674      0.00000
   1438       4.7735      0.00000
   1439       4.8016      0.00000
   1440       4.8345      0.00000
   1441       4.8512      0.00000
   1442       4.8576      0.00000
   1443       4.9004      0.00000
   1444       4.9131      0.00000
   1445       4.9248      0.00000
   1446       4.9401      0.00000
   1447       4.9466      0.00000
   1448       4.9728      0.00000
   1449       4.9928      0.00000
   1450       5.0055      0.00000
   1451       5.0391      0.00000
   1452       5.0418      0.00000
   1453       5.0564      0.00000
   1454       5.0755      0.00000
   1455       5.0834      0.00000
   1456       5.1067      0.00000
   1457       5.1427      0.00000
   1458       5.1479      0.00000
   1459       5.1566      0.00000
   1460       5.1720      0.00000
   1461       5.1884      0.00000
   1462       5.2006      0.00000
   1463       5.2258      0.00000
   1464       5.2383      0.00000
   1465       5.2473      0.00000
   1466       5.2519      0.00000
   1467       5.2575      0.00000
   1468       5.2733      0.00000
   1469       5.2926      0.00000
   1470       5.3027      0.00000
   1471       5.3058      0.00000
   1472       5.3178      0.00000
   1473       5.3327      0.00000
   1474       5.3387      0.00000
   1475       5.3574      0.00000
   1476       5.3585      0.00000
   1477       5.3744      0.00000
   1478       5.3824      0.00000
   1479       5.3890      0.00000
   1480       5.3985      0.00000
   1481       5.4027      0.00000
   1482       5.4127      0.00000
   1483       5.4179      0.00000
   1484       5.4319      0.00000
   1485       5.4332      0.00000
   1486       5.4495      0.00000
   1487       5.4581      0.00000
   1488       5.4726      0.00000
   1489       5.4765      0.00000
   1490       5.4836      0.00000
   1491       5.4941      0.00000
   1492       5.5084      0.00000
   1493       5.5162      0.00000
   1494       5.5207      0.00000
   1495       5.5231      0.00000
   1496       5.5368      0.00000
   1497       5.5400      0.00000
   1498       5.5466      0.00000
   1499       5.5630      0.00000
   1500       5.5739      0.00000
   1501       5.5827      0.00000
   1502       5.5854      0.00000
   1503       5.5947      0.00000
   1504       5.6063      0.00000
   1505       5.6104      0.00000
   1506       5.6264      0.00000
   1507       5.6292      0.00000
   1508       5.6377      0.00000
   1509       5.6460      0.00000
   1510       5.6633      0.00000
   1511       5.6671      0.00000
   1512       5.6802      0.00000
   1513       5.6919      0.00000
   1514       5.7019      0.00000
   1515       5.7135      0.00000
   1516       5.7206      0.00000
   1517       5.7244      0.00000
   1518       5.7354      0.00000
   1519       5.7382      0.00000
   1520       5.7434      0.00000
   1521       5.7557      0.00000
   1522       5.7599      0.00000
   1523       5.7644      0.00000
   1524       5.7765      0.00000
   1525       5.7816      0.00000
   1526       5.8018      0.00000
   1527       5.8070      0.00000
   1528       5.8262      0.00000
   1529       5.8278      0.00000
   1530       5.8426      0.00000
   1531       5.8452      0.00000
   1532       5.8563      0.00000
   1533       5.8657      0.00000
   1534       5.8732      0.00000
   1535       5.8812      0.00000
   1536       5.8951      0.00000
   1537       5.9036      0.00000
   1538       5.9130      0.00000
   1539       5.9272      0.00000
   1540       5.9289      0.00000
   1541       5.9453      0.00000
   1542       5.9475      0.00000
   1543       5.9595      0.00000
   1544       5.9629      0.00000
   1545       5.9747      0.00000
   1546       5.9854      0.00000
   1547       5.9951      0.00000
   1548       6.0042      0.00000
   1549       6.0182      0.00000
   1550       6.0214      0.00000
   1551       6.0263      0.00000
   1552       6.0316      0.00000
   1553       6.0486      0.00000
   1554       6.0516      0.00000
   1555       6.0695      0.00000
   1556       6.0769      0.00000
   1557       6.0823      0.00000
   1558       6.0893      0.00000
   1559       6.0999      0.00000
   1560       6.1033      0.00000
   1561       6.1111      0.00000
   1562       6.1279      0.00000
   1563       6.1388      0.00000
   1564       6.1432      0.00000
   1565       6.1553      0.00000
   1566       6.1580      0.00000
   1567       6.1731      0.00000
   1568       6.1774      0.00000
   1569       6.1841      0.00000
   1570       6.1940      0.00000
   1571       6.2047      0.00000
   1572       6.2126      0.00000
   1573       6.2193      0.00000
   1574       6.2296      0.00000
   1575       6.2343      0.00000
   1576       6.2485      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.086  13.409  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.409  17.827  -0.001   0.001  -0.000   0.003  -0.005   0.000
 -0.001  -0.001  -4.230   0.003   0.000   8.274  -0.004  -0.000
  0.001   0.001   0.003  -4.231   0.001  -0.004   8.273  -0.001
 -0.000  -0.000   0.000   0.001  -4.223  -0.000  -0.001   8.264
  0.002   0.003   8.274  -0.004  -0.000 -18.312   0.007   0.000
 -0.004  -0.005  -0.004   8.273  -0.001   0.007 -18.309   0.001
  0.000   0.000  -0.000  -0.001   8.264   0.000   0.001 -18.302
 total augmentation occupancy for first ion, spin component:           1
  8.515  -3.842   0.157   0.118  -0.042   0.019   0.023  -0.007
 -3.842   1.806  -0.079  -0.082   0.024  -0.008  -0.014   0.004
  0.157  -0.079   1.790  -0.061  -0.029   0.169  -0.011  -0.005
  0.118  -0.082  -0.061   1.900  -0.106  -0.011   0.178  -0.015
 -0.042   0.024  -0.029  -0.106   1.232  -0.005  -0.015   0.082
  0.019  -0.008   0.169  -0.011  -0.005   0.018  -0.002  -0.001
  0.023  -0.014  -0.011   0.178  -0.015  -0.002   0.018  -0.002
 -0.007   0.004  -0.005  -0.015   0.082  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -48202.51163 80580.43700 17114.37550 -8832.33199  6167.00938 16910.18233
  Hartree  7559.60517107534.04874 54936.92229 -9252.56374  4103.73980 11153.65005
  E(xc)  -10737.13419-10589.52350-10631.89693     2.58665     8.44984    33.79956
  Local    7220.65202************************ 18081.33569-10281.48502-27439.99140
  n-local -5844.25391 -5986.79216 -6040.12218     6.88524    15.56843   -67.74014
  augment  1492.60631  1534.80612  1486.96113     4.54605    11.96401    -4.65735
  Kinetic 45469.92634 43291.95189 43673.70821   -33.54052   -70.16460  -594.15974
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -133.2511759   -363.6049137   -151.5805894    -23.0826229    -44.9181592     -8.9166931
  in kB      -22.2207002    -60.6340298    -25.2772766     -3.8492121     -7.4904626     -1.4869300
  external PRESSURE =     -36.0440022 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.207E+03 -.103E+03 0.229E+03   0.207E+03 0.104E+03 -.230E+03   -.521E-01 -.571E+00 0.138E+01   0.140E-02 0.159E-02 0.994E-03
   -.165E+03 -.127E+03 0.504E+02   0.164E+03 0.128E+03 -.501E+02   0.327E+00 -.129E+01 -.523E+00   0.997E-03 0.201E-02 0.144E-02
   -.131E+03 -.118E+03 0.526E+01   0.131E+03 0.120E+03 -.366E+01   0.387E+00 -.134E+01 -.154E+01   0.159E-02 0.101E-02 0.162E-02
   -.198E+03 -.886E+02 0.321E+03   0.198E+03 0.885E+02 -.323E+03   -.379E+00 0.107E+00 0.249E+01   0.263E-02 0.397E-03 0.208E-02
   -.153E+03 -.140E+03 0.288E+03   0.153E+03 0.141E+03 -.289E+03   -.636E-01 -.779E+00 0.122E+01   0.325E-02 0.280E-03 0.290E-02
   -.123E+03 -.106E+03 0.167E+03   0.123E+03 0.106E+03 -.167E+03   0.892E-01 -.121E+00 0.349E+00   0.240E-02 0.727E-03 0.231E-02
   -.212E+03 -.122E+03 0.156E+03   0.212E+03 0.127E+03 -.157E+03   0.341E+00 -.444E+01 0.882E+00   0.110E-02 0.195E-02 -.729E-03
   -.164E+03 -.987E+02 0.285E+02   0.164E+03 0.103E+03 -.304E+02   -.492E+00 -.408E+01 0.202E+01   0.235E-04 0.310E-02 0.173E-02
   -.851E+02 0.195E+01 0.195E+03   0.850E+02 -.197E+01 -.196E+03   0.171E+00 -.300E-01 0.290E+00   0.284E-02 0.571E-03 0.176E-02
   -.696E+02 0.885E+02 0.599E+02   0.693E+02 -.903E+02 -.588E+02   0.300E+00 0.172E+01 -.101E+01   0.294E-02 -.285E-03 0.541E-03
   -.699E+02 0.100E+03 0.124E+03   0.696E+02 -.102E+03 -.124E+03   0.377E+00 0.130E+01 0.105E-01   0.352E-02 -.971E-03 0.999E-04
   -.863E+02 -.906E+01 0.324E+03   0.864E+02 0.885E+01 -.325E+03   -.127E+00 0.299E+00 0.127E+01   0.325E-02 0.953E-03 0.180E-02
   -.943E+02 -.521E+02 0.351E+03   0.945E+02 0.531E+02 -.353E+03   -.299E+00 -.109E+01 0.236E+01   0.334E-02 0.340E-03 0.497E-03
   -.906E+02 0.138E+02 0.288E+03   0.906E+02 -.140E+02 -.289E+03   0.788E-01 0.490E-02 0.150E+01   0.384E-02 -.762E-03 -.322E-04
   -.874E+02 0.891E+02 0.251E+03   0.867E+02 -.928E+02 -.253E+03   0.555E+00 0.384E+01 0.246E+01   0.451E-02 -.193E-02 -.863E-03
   -.633E+02 0.107E+03 0.909E+02   0.631E+02 -.110E+03 -.940E+02   0.780E-01 0.298E+01 0.365E+01   0.369E-02 -.211E-02 0.505E-03
   -.483E+02 0.908E+02 0.408E+02   0.489E+02 -.862E+02 -.364E+02   -.505E+00 -.474E+01 -.433E+01   0.422E-02 -.255E-02 -.346E-03
   0.154E+02 0.196E+03 -.157E+03   -.159E+02 -.198E+03 0.160E+03   0.479E+00 0.184E+01 -.205E+01   0.365E-02 -.260E-02 0.138E-02
   0.399E+02 0.152E+03 -.203E+03   -.402E+02 -.152E+03 0.205E+03   0.412E+00 0.210E+00 -.182E+01   0.352E-02 -.253E-02 0.183E-02
   -.560E+02 0.885E+02 0.173E+03   0.570E+02 -.875E+02 -.176E+03   -.107E+01 -.107E+01 0.330E+01   0.461E-02 -.184E-02 -.121E-02
   0.127E+02 0.502E+02 0.297E+01   -.138E+02 -.515E+02 -.143E+01   0.111E+01 0.150E+01 -.131E+01   0.389E-02 -.139E-02 -.367E-03
   0.307E+02 0.103E+02 -.118E+03   -.307E+02 -.106E+02 0.119E+03   0.203E-01 0.200E+00 -.993E+00   0.334E-02 -.172E-02 0.118E-02
   -.201E+01 -.445E+02 -.163E+03   0.261E+01 0.447E+02 0.162E+03   -.554E+00 -.852E-01 0.427E+00   0.255E-02 -.145E-02 0.160E-02
   -.194E+02 -.811E+02 -.215E+03   0.204E+02 0.829E+02 0.214E+03   -.103E+01 -.168E+01 0.109E+01   0.211E-02 -.821E-03 0.229E-02
   0.212E+01 -.165E+03 -.315E+03   -.272E+01 0.166E+03 0.317E+03   0.574E+00 -.705E+00 -.176E+01   0.141E-02 0.213E-04 0.261E-02
   -.827E+02 -.160E+03 -.144E+03   0.840E+02 0.160E+03 0.142E+03   -.117E+01 -.853E-01 0.149E+01   0.231E-02 -.124E-02 0.140E-02
   -.817E+02 -.266E+03 -.176E+03   0.824E+02 0.267E+03 0.176E+03   -.600E+00 -.808E+00 0.251E+00   0.142E-02 -.303E-03 0.203E-02
   -.262E+02 -.261E+03 -.267E+03   0.261E+02 0.262E+03 0.267E+03   0.182E+00 -.132E+01 -.355E+00   0.118E-02 0.551E-03 0.278E-02
   -.384E+02 -.251E+02 -.209E+03   0.444E+02 0.330E+02 0.204E+03   -.593E+01 -.777E+01 0.479E+01   0.186E-02 -.175E-02 0.282E-02
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 -----------------------------------------------------------------------------------------------
   0.500E+02 0.473E+01 -.338E+02   0.955E-11 -.102E-11 -.205E-11   -.499E+02 -.464E+01 0.339E+02   -.807E-01 -.921E-01 -.703E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.24709      3.16103      1.34971         0.061412      0.098031      0.054924
     12.99866      3.60453      2.64827         0.051579     -0.091857     -0.229200
     12.91736      4.96629      2.93804         0.027159     -0.030702      0.065241
     13.34083      4.06146      0.29805        -0.031970      0.071458     -0.009948
     13.24232      5.42737      0.58307        -0.022412     -0.010933      0.061603
     13.08247      5.92378      1.89959        -0.022118      0.019642      0.126086
     13.35553      1.68447      1.34140        -0.028886     -0.031326      0.006635
     12.83330      2.39102      3.51031        -0.108962     -0.056170      0.126454
     13.13738      7.39869      2.19261         0.053862     -0.047697      0.079622
     13.11806      7.88782      3.52503         0.021324     -0.030338      0.045856
     13.32121      9.24243      3.76894         0.082111      0.104184     -0.195141
     13.30534      8.35551      1.15863         0.007516      0.088763      0.074189
     13.50710      9.71919      1.40649        -0.020869     -0.031722      0.111969
     13.52610     10.14403      2.72995         0.107117     -0.118424     -0.072187
     13.77437     11.49271      3.28777        -0.070185      0.126867     -0.124444
     13.40148      9.99834      5.04929        -0.114846     -0.095732      0.556963
     13.73263     12.46625      5.63732         0.025085     -0.211809      0.048018
     13.49168     12.30119      7.00255        -0.044055     -0.121754      0.144405
     13.57167     13.38712      7.86979         0.077066      0.002666      0.132367
     14.08869     13.74957      5.21590         0.012468     -0.107637      0.054052
     14.17158     14.83669      6.08890        -0.005035      0.185093      0.225918
     13.88352     14.70767      7.49201         0.025227     -0.080066     -0.200112
     13.94592     15.82165      8.50821         0.051440      0.148233      0.032841
     13.19083     15.92724      9.72558        -0.005038      0.084562      0.024968
     13.23583     17.10237     10.49501        -0.029460      0.071778     -0.043160
     14.81384     16.91056      8.26766         0.105220      0.029384      0.071000
     14.82523     18.08992      9.01434         0.067010     -0.111400      0.019611
     14.00151     18.20526     10.12738         0.066285     -0.157052     -0.057915
     12.34995     14.83166     10.34490         0.070534      0.096549     -0.066539
     14.72302     16.06694      5.38662         0.074010      0.046675      0.088926
      9.92871      3.83239      4.62525        -0.000545      0.126962     -0.128819
      9.70050      4.75154      3.59710         0.048506     -0.121307      0.089036
      9.70069      6.13518      3.84914         0.016321     -0.053217     -0.071624
     10.28634      4.28197      5.89644         0.024836     -0.072357     -0.007487
     10.37972      5.65792      6.11941        -0.034613      0.071347     -0.144809
     10.04231      6.62849      5.13802        -0.012182      0.096333     -0.034446
      9.76028      2.44446      4.09478         0.078148     -0.318031      0.299844
      9.55220      3.96240      2.31462         0.032982      0.039997      0.122033
     10.07231      8.10400      5.49736         0.041723     -0.030004      0.048440
     10.06473      9.15449      4.53911         0.013363      0.011365     -0.018293
     10.14456     10.48840      4.95638         0.007299      0.091897      0.137149
     10.13310      8.50179      6.86130         0.025255     -0.003160     -0.105255
     10.21516      9.83777      7.27852         0.002299     -0.073759     -0.120667
     10.22100     10.83399      6.30671        -0.071716     -0.166910     -0.002276
     10.28553     12.31356      6.44394         0.110264     -0.077583     -0.171341
     10.20990     11.76191      4.16768         0.171479      0.071065     -0.267922
     10.69206     14.21230      4.79038         0.048532     -0.130585     -0.123861
     11.23809     14.55540      3.55079        -0.027162     -0.085605     -0.157044
     11.61707     15.86613      3.27375         0.094819      0.135909     -0.015144
     10.55716     15.26790      5.70652        -0.006450      0.017907     -0.102373
     10.98313     16.58650      5.43267         0.046129      0.125396      0.228477
     11.56415     16.96684      4.15727        -0.000751     -0.107189      0.034579
     12.08129     18.33784      3.70187         0.019327      0.028581     -0.076450
     12.70822     18.72500      2.44458         0.157835     -0.190290     -0.057090
     12.98769     20.06949      2.15280         0.107212      0.042904      0.107153
     11.92768     19.44793      4.55869        -0.063198     -0.082551     -0.072188
     12.22665     20.77618      4.28185        -0.000836      0.171424      0.029458
     12.73807     21.13231      3.03496         0.021421      0.096919     -0.013717
     13.25678     17.81830      1.32354        -0.182030      0.035010      0.005001
     10.77494     17.50558      6.64162        -0.067949     -0.148414      0.041045
     10.71895      7.05740     14.93000         0.028914     -0.010191      0.211911
     10.67759      7.48838     16.25847        -0.073447     -0.067548     -0.123996
     10.69275      8.85547     16.56393        -0.038363      0.096267      0.018880
     10.73183      7.96753     13.88624         0.032340      0.181409     -0.045622
     10.72111      9.33143     14.18822        -0.003880     -0.153503      0.043935
     10.72639      9.82131     15.51143        -0.003771     -0.025582      0.309048
     10.65726      5.57654     14.87893         0.004358      0.095514     -0.010687
     10.51893      6.25446     17.11701        -0.078345     -0.234799      0.383634
     10.75181     11.31184     15.74972         0.013513     -0.051396      0.078425
     10.82310     11.89361     17.04568        -0.025478      0.002102      0.008156
     10.86566     13.28293     17.17621         0.067176      0.015537     -0.182634
     10.72187     12.20317     14.64592         0.012564      0.061020      0.010101
     10.80616     13.59294     14.77790        -0.015029     -0.018386     -0.082671
     10.88054     14.11924     16.05917         0.042824     -0.135001     -0.049655
     10.95330     15.53116     16.49314        -0.054501      0.250474     -0.087257
     10.89234     14.15635     18.38803        -0.008964     -0.063185      0.485671
     10.84000     16.68950     18.72961        -0.128799      0.005548      0.154070
     10.05778     16.70787     19.87602        -0.066801     -0.214731     -0.064162
      9.84513     17.88757     20.57989         0.030904      0.048606     -0.005316
     11.46520     17.89525     18.40342         0.055846     -0.015315     -0.019121
     11.30775     19.07125     19.16301         0.175056      0.173278      0.014174
     10.42629     19.14286     20.31818         0.031660      0.043370     -0.039848
     10.08498     20.33867     -0.01164        -0.028153     -0.004189      0.220971
      9.34867     20.30630      1.24677         0.078189     -0.085701     -0.101602
      9.16733      0.18634      2.05906         0.045084     -0.057452     -0.091912
     10.49721      0.39938     20.95219        -0.011463     -0.034742     -0.061999
     10.33911      1.52326      0.51621         0.055629      0.038441     -0.079850
      9.69669      1.44374      1.75099        -0.018875      0.236038      0.081005
      8.69611     19.08794      1.87777         0.038774     -0.070227      0.052100
     12.23397     20.17509     18.65993        -0.065978      0.013392      0.104400
      7.34999      7.68521     17.23620         0.022829      0.069084     -0.033533
      7.10162      8.59713     16.20914         0.105756     -0.073187      0.029787
      7.05702      9.97526     16.47601         0.049736     -0.002098     -0.071824
      7.69131      8.11827     18.51236         0.041964      0.027905     -0.049778
      7.72044      9.49283     18.75391        -0.039851      0.095245     -0.078864
      7.34465     10.46162     17.78539        -0.008476      0.069363     -0.144787
      7.27070      6.30272     16.70834         0.076239     -0.178013      0.022669
      7.03606      7.79633     14.92220         0.164245      0.049153     -0.051108
      7.29295     11.93083     18.17419        -0.026060      0.034979     -0.017377
      7.06687     13.00596     17.26357         0.025432      0.058301     -0.091568
      7.07819     14.33409     17.71608         0.037109      0.061456      0.120243
      7.48302     12.29698     19.53309        -0.042634      0.082304     -0.074444
      7.43926     13.61854     19.99513        -0.063019     -0.012641     -0.060294
      7.23149     14.64105     19.07175        -0.037229     -0.071628     -0.088267
      7.16804     16.12348     19.25467         0.060642     -0.225367     -0.304249
      7.01405     15.64699     16.96851         0.053587     -0.033481     -0.195911
      7.51617     18.08259     17.66027         0.154786     -0.127869     -0.078387
      8.42016     18.41396     16.65022         0.038936     -0.008122     -0.021062
      8.87819     19.72058     16.49163         0.106562      0.152822      0.011495
      7.04657     19.15742     18.42190        -0.001287      0.103081     -0.073655
      7.46213     20.49893     18.21539        -0.018955      0.063972      0.172020
      8.47173     20.85259     17.23467         0.081282     -0.026570     -0.028048
      9.10457      0.97748     16.92749        -0.158892      0.142182      0.063731
      9.93291      1.38947     15.81584         0.068053     -0.058670     -0.211141
     10.39496      2.71195     15.65935         0.068916     -0.175055     -0.141478
      8.86671      2.07339     17.78287         0.112500     -0.166150      0.257614
      9.30488      3.38886     17.61922        -0.098269     -0.030280      0.080600
     10.06481      3.76151     16.51843         0.169451     -0.023870      0.009164
     10.46623      0.53667     14.67660         0.204750     -0.379271     -0.088165
      6.72002      0.21281     19.13399        -0.012191     -0.046192      0.024504
      6.85106     10.80098      6.37842         0.007993      0.090189      0.136204
      6.90039     11.26328      7.69269         0.034035      0.005367     -0.091394
      6.95692     12.63607      7.98773         0.061334      0.021383      0.004062
      6.86407     11.71266      5.32479        -0.017014      0.070496      0.020673
      6.90976     13.08395      5.61886        -0.032956     -0.107636      0.078266
      6.95183     13.60475      6.93828         0.056352     -0.007557      0.143143
      6.85420      9.30929      6.37667        -0.071673     -0.229227     -0.121223
      6.91795     10.05366      8.58877         0.005508     -0.064316      0.151600
      7.01810     15.11274      7.16817         0.097863     -0.126163      0.179131
      7.19100     15.71001      8.45206         0.067699     -0.039498     -0.042036
      7.28806     17.10396      8.57313        -0.001079      0.108200     -0.072438
      6.97604     16.01007      6.06760         0.038222      0.015573      0.056237
      7.06766     17.40205      6.19211         0.016100     -0.113071     -0.009605
      7.20059     17.94413      7.46466        -0.034472     -0.110672     -0.015154
      7.34203     19.36550      7.88661         0.012513      0.350778     -0.179593
      7.56683     17.97850      9.76334         0.117966     -0.096040      0.345622
      7.80217     20.49803     10.13580        -0.070874     -0.060952     -0.093339
      7.25836     20.49191     11.41419        -0.050332     -0.061530      0.096671
      7.23094      0.38272     12.19170        -0.111123      0.158655      0.161914
      8.47664      0.41465      9.77893        -0.000803     -0.049749     -0.095630
      8.58945      1.52752     10.64343         0.087152      0.147997     -0.027120
      7.85556      1.61076     11.88479        -0.167533     -0.194966     -0.045812
      7.63127      2.81458     12.79747        -0.165756      0.106663      0.322380
      7.00018      2.81911     14.10942        -0.023680     -0.063676     -0.113363
      6.79832      4.01440     14.82102         0.088255      0.003343     -0.050980
      7.96796      4.12506     12.37639        -0.010543     -0.169268      0.027880
      7.84503      5.29704     13.13647         0.023263     -0.039797     -0.090370
      7.26357      5.26368     14.40254         0.004617      0.187042      0.082443
      6.36330      1.65966     14.88770         0.049856     -0.122431     -0.283773
      9.63286      2.53497     10.17212         0.059062     -0.131737     -0.175234
      4.29607     11.59161     10.22607        -0.013261     -0.008906      0.031578
      4.09715     12.45760      9.15405         0.003304     -0.210776      0.044496
      4.30718     13.83248      9.30298        -0.069397     -0.030296     -0.017940
      4.77893     12.05903     11.44691        -0.039131      0.015785     -0.095580
      4.88527     13.44082     11.62093        -0.005901     -0.110989     -0.101751
      4.59882     14.36568     10.58771        -0.092786      0.048843     -0.156674
      3.87268     10.22034      9.85626        -0.027561     -0.022557     -0.057851
      3.62323     11.62160      7.98881        -0.034562     -0.012802     -0.288163
      4.53943     15.84217     10.87619         0.006359     -0.039580     -0.061879
      4.08281     16.78341      9.90956         0.023531      0.112751      0.002182
      4.04023     18.14568     10.23454         0.018362     -0.030397     -0.009449
      4.91133     16.33660     12.15219        -0.025778      0.033168     -0.029315
      4.77283     17.67889     12.50611        -0.035822     -0.096965     -0.096531
      4.33177     18.56324     11.53230         0.027785     -0.122923     -0.021393
      4.22178     20.02644     11.62178         0.034464     -0.013486     -0.029340
      3.83057     19.39406      9.39952         0.257430     -0.233167      0.784806
      4.40996      0.60542      9.93873        -0.023201     -0.081655      0.098802
      4.99636      0.96118      8.72387         0.067286     -0.061062     -0.031923
      5.54742      2.23203      8.57038         0.193124     -0.065966     -0.045979
      4.28302      1.64831     10.85984        -0.002788     -0.017942     -0.118040
      4.72538      2.97500     10.63621         0.011963      0.137282      0.052141
      5.49806      3.33080      9.46825         0.002213     -0.002366      0.037031
      6.11523      4.69372      9.06336        -0.014898      0.206123     -0.147318
      6.56172      5.07122      7.73391        -0.098893     -0.242975      0.044429
      6.79381      6.40499      7.35609        -0.017613      0.037099     -0.074555
      6.16941      5.81538      9.94073        -0.103689     -0.226832     -0.007230
      6.37328      7.15285      9.55975         0.136213      0.157054      0.041312
      6.64667      7.50148      8.22285         0.041404      0.105635      0.009535
      6.81582      4.10653      6.57867        -0.086543      0.097135     -0.205658
      4.04515      3.79872     11.72792         0.063949     -0.000637      0.180274
      0.74589     14.03401      1.11060        -0.156656      0.267272      0.009078
      1.49762     14.47775      2.19871        -0.076276     -0.071969     -0.067472
      1.54030     15.87229      2.49006        -0.007355     -0.076879     -0.064614
      0.11759     14.91278      0.23796         0.090608     -0.019112      0.112890
      0.25377     16.27671      0.46922         0.051034     -0.114293     -0.058126
      0.91752     16.81728      1.59659         0.095509     -0.051115      0.298371
      0.69794     12.56570      1.05018        -0.082356     -0.306763     -0.204237
      2.12263     13.19038      2.79021         0.258978      0.098636      0.300863
      0.89449     18.34650      1.74205         0.018210     -0.063570      0.026849
      1.35872     19.09689      2.86312         0.084256     -0.041654      0.114240
      1.25756     20.50449      2.86720        -0.101892      0.110318     -0.246755
      0.35860     19.11252      0.66709         0.107613     -0.018981      0.143484
      0.22567     20.49898      0.68447         0.015219      0.019576     -0.020660
      0.67365     -0.06700      1.79817         0.040209     -0.080263      0.219943
      0.63156      1.39547      2.06863        -0.171179      0.226803     -0.141757
      1.72147      0.29826      3.84027         0.193162     -0.031834      0.209301
      1.34235      2.85914      4.04621        -0.056742      0.109338     -0.041085
      2.07491      2.96967      5.23466         0.189978     -0.009622      0.043276
      2.22950      4.18823      5.89832         0.044892     -0.024526     -0.039218
      0.68382      4.04891      3.64804         0.142342     -0.089072      0.176769
      0.75513      5.23944      4.40766         0.160392      0.214991      0.140986
      1.60844      5.41309      5.55707         0.072381     -0.157340     -0.116356
      1.95785      6.69555      6.34360         0.038950      0.240876     -0.118470
      2.38748      6.73409      7.71194        -0.031376     -0.186638     -0.139361
      2.84108      7.89095      8.34737         0.067653      0.130964      0.065987
      2.01736      8.00202      5.75928        -0.041511     -0.280707      0.097015
      2.48203      9.16734      6.39820         0.002263      0.078736     -0.097222
      2.92509      9.14121      7.73329         0.139215      0.156271     -0.088184
      2.56332      5.54468      8.61987         0.058547      0.070293      0.156685
     -0.08863      6.36663      3.86495         0.249634     -0.027108     -0.363545
      4.46910     14.20610      0.56582        -0.006420     -0.000630     -0.198293
      3.89750     15.12984     -0.30905        -0.013353      0.026141      0.008564
      3.96239     16.51290     -0.06319        -0.076367      0.136062      0.019448
      5.08980     14.65482      1.72552         0.010288      0.221953      0.065354
      5.10001     16.03036      2.00157        -0.099371      0.068251     -0.197384
      4.54976     17.02068      1.14071        -0.177609      0.194657     -0.187012
      4.27290     12.82524      0.02703        -0.078393      0.010975     -0.029059
      3.22285     14.34114     19.85013        -0.282285     -0.016806     -0.117923
      4.58461     18.51107      1.55697        -0.067314      0.116901     -0.093909
      4.14873     19.63979      0.77592        -0.021926     -0.131267      0.060153
      4.27892     20.95724      1.27823         0.032775     -0.270782      0.038881
      5.08090     18.83826      2.84758        -0.058772      0.044920     -0.057445
      5.24956     20.14486      3.32772         0.064482     -0.334147      0.016756
      4.87855     21.20150      2.51432        -0.009667     -0.139655     -0.143906
      5.02718      1.40106      2.73454         0.207221      0.364923      0.305754
      3.84522      1.04243      0.74556        -0.010727      0.060106     -0.081412
      4.06085      3.47454      1.60826        -0.050552      0.270629     -0.090299
      3.26114      4.04525      0.60596        -0.230154      0.114268     -0.100697
      2.97524      5.41878      0.58155         0.072035     -0.240462     -0.115800
      4.56985      4.40257      2.53619         0.032312     -0.106095      0.189833
      4.19877      5.76447      2.56359         0.026648      0.180196     -0.052786
      3.36582      6.36026      1.56310         0.086428      0.208621     -0.069550
      2.92968      7.83585      1.53335        -0.042534     -0.010995     -0.044571
      1.66580      8.35579      1.10210        -0.333046      0.131659      0.183061
      1.27424      9.68682      1.36806        -0.144486     -0.192925     -0.242043
      3.76848      8.86192      2.03039        -0.011620      0.124671     -0.122807
      3.40267     10.20280      2.24996         0.172717     -0.026666      0.067182
      2.10821     10.65839      1.94769         0.042877      0.166674     -0.218644
      0.62557      7.57990      0.29065        -0.057286      0.078525     -0.263954
      4.85747      6.47166      3.74120         0.084169     -0.014360     -0.126418
     18.02069     17.32028     13.98836        -0.084642      0.011409      0.030326
     18.96500     17.78859     14.90156        -0.135546     -0.152532     -0.107426
     19.16775     19.15720     15.10578        -0.034512      0.082112      0.062237
     17.33026     18.21593     13.17634         0.055527     -0.016726      0.041958
     17.59889     19.58149     13.31921         0.019021      0.014797      0.128079
     18.46353     20.10800     14.31454         0.052908      0.147135      0.026122
     17.99340     15.82618     14.01346         0.164850      0.193043      0.053563
     19.68050     16.59016     15.45052         0.455590     -0.111457      0.203841
     18.60397      0.35470     14.49032        -0.020249     -0.064717      0.135273
     19.44358      0.95004     15.47353        -0.059870      0.006724     -0.012728
     19.48582      2.34042     15.62046        -0.053651      0.096556     -0.102839
     17.84321      1.25428     13.69512         0.032050     -0.055906      0.060143
     17.88475      2.64765     13.84568         0.010813     -0.065880      0.018717
     18.71530      3.18862     14.82542        -0.053275     -0.093674      0.006169
     18.95071      4.60615     15.23548        -0.055304      0.015151      0.046330
     20.29063      3.19676     16.55245         0.073106      0.050150      0.205441
     20.49282      5.73942     16.92585         0.007671      0.009409     -0.076526
      0.57878      5.75127     17.29110         0.017925      0.065593      0.051838
      1.21118      6.92766     17.69363        -0.060826      0.089276      0.050807
     19.80071      6.93603     17.16140         0.225970     -0.028365     -0.032519
     20.41053      8.08669     17.72145        -0.159769      0.010504      0.051521
      0.57307      8.15768     17.97276         0.009504     -0.058343     -0.210284
      1.39781      9.34069     18.50284         0.411563      0.038440      0.183909
      2.76286      9.35181     19.02707        -0.125146     -0.018887     -0.105048
      3.35273     10.55166     19.47612         0.322870     -0.090242      0.025663
      0.83895     10.63738     18.52366        -0.173842     -0.040437     -0.272116
      1.42750     11.80531     19.01572        -0.233079      0.537457      0.126945
      2.71673     11.79360     19.54216         0.267331      0.015885      0.020130
      3.87152      8.27421     19.05070        -0.175787      0.130874     -0.109124
     19.37745      9.17209     18.03423         0.147096      0.102831      0.241770
      1.64416     18.36491     14.16040         0.133531     -0.009273     -0.065174
      0.97577     19.26490     13.32687         0.033376     -0.163201      0.112222
      1.04001     20.63666     13.54023        -0.025110      0.019519      0.041357
      2.39832     18.81718     15.24327        -0.204358     -0.130321     -0.077716
      2.44113     20.19323     15.47140        -0.135716     -0.069067     -0.099497
      1.77998     21.13132     14.64175        -0.022715      0.052416      0.029929
      1.40001     16.98283     13.67500        -0.041296      0.132013      0.090127
      0.22274     18.47649     12.30732        -0.451887      0.030962     -0.445034
      1.91842      1.33373     14.91479        -0.045110     -0.099133      0.092790
      1.40456      2.31355     14.03792         0.104022      0.167247      0.049867
      1.68483      3.65343     14.28296        -0.125540      0.104651      0.111024
      2.58397      1.78648     16.08082        -0.064268     -0.051411     -0.100886
      2.92803      3.12063     16.27847         0.051171     -0.022578      0.029126
      2.51326      4.04793     15.33218        -0.052790     -0.187741     -0.056103
      2.71350      5.50876     15.26978         0.398129      0.237216      0.195424
      1.16215      4.88520     13.62044         0.609571     -0.047035      0.649473
      1.39270      7.35261     14.20865        -0.026971     -0.210768      0.030911
      0.06431      7.64807     13.93592        -0.124763     -0.099517     -0.085778
     20.86282      8.94542     14.08388        -0.005641      0.077721      0.058487
      2.23058      8.42413     14.53262        -0.130187      0.093908     -0.079690
      1.76216      9.74715     14.63856         0.001106      0.282125      0.112930
      0.35479     10.07712     14.46526        -0.048271     -0.054024      0.006678
     20.86834     11.41091     14.62490        -0.104851     -0.067901     -0.013949
     19.46400     11.68499     14.32874        -0.134049     -0.291752      0.017153
     18.92846     12.97733     14.43553         0.017690      0.002087      0.145752
      0.27694     12.56277     15.10296         0.009291     -0.050113     -0.092977
     -0.25815     13.84937     15.18776         0.051160      0.113472      0.158243
     19.67115     14.09133     14.83771         0.157268      0.310136      0.006402
     18.34177     10.68257     13.97311         0.011633      0.020980     -0.002331
      2.88070     10.71707     15.01756         0.056675     -0.083817      0.113476
     16.47080      0.43829      5.28186        -0.018734      0.074656      0.110542
     16.95772      0.76878      6.54675        -0.066492     -0.027881     -0.146166
     16.81303      2.07413      7.05481         0.003950     -0.013634     -0.003347
     15.87462      1.38439      4.47201         0.025868     -0.060915      0.010351
     15.77376      2.68319      4.95555        -0.000650     -0.015739      0.092633
     16.21636      3.08657      6.24032         0.084887      0.120685      0.111607
     16.79221     20.30033      4.93780         0.046346     -0.084529     -0.015513
     17.70567     20.81260      7.03951         0.037140     -0.109122      0.177455
     16.16220      4.57976      6.56420         0.044248     -0.019990      0.092764
     16.58508      5.21227      7.77412        -0.057933      0.020376     -0.045839
     16.63493      6.62014      7.84742        -0.134862      0.113450     -0.129190
     15.73701      5.45356      5.52775        -0.015282      0.070910      0.101833
     15.81054      6.84368      5.59233        -0.027921      0.033485      0.099979
     16.27253      7.42583      6.76664        -0.090011     -0.081602      0.027176
     16.49964      8.86205      7.08353        -0.114211      0.149454     -0.075296
     17.13537      7.54857      8.92241         0.120499     -0.101526      0.474628
     17.59695     10.08740      9.02844        -0.033174     -0.104839      0.019731
     18.60613      9.99747      9.98504        -0.011948     -0.049540      0.117550
     19.22280     11.13621     10.50489         0.016023      0.138746      0.097128
     17.20542     11.39637      8.70295        -0.029850      0.018117      0.029216
     17.84045     12.53976      9.23331         0.142875      0.180307      0.076378
     18.93876     12.46962     10.16932        -0.059356     -0.062572     -0.128473
     19.74277     13.61952     10.80855        -0.017186     -0.080739      0.057226
     21.08499     13.58502     11.34842        -0.106861     -0.006960     -0.060372
      0.42995     14.72790     11.90084         0.005176      0.061213     -0.050830
     19.15070     14.89347     10.96776        -0.041934      0.107491      0.028617
     19.77699     16.03634     11.47978        -0.268167      0.054611     -0.092947
     21.07818     15.97304     11.97060        -0.145136      0.216445     -0.009816
      0.87742     12.48714     11.28629         0.103438     -0.079390      0.031957
     17.19144     13.82406      8.77228        -0.085700     -0.064693      0.044941
     20.22130      1.57645      6.29346        -0.047348      0.019741     -0.078383
     19.61357      2.58885      5.54062         0.011612     -0.090874     -0.012797
     19.45483      3.86820      6.02810        -0.028576      0.003611     -0.008536
     20.67219      1.83220      7.58221        -0.030199      0.040503     -0.091529
     20.52332      3.13307      8.07670        -0.137292     -0.068863     -0.132172
     19.93390      4.17974      7.32023        -0.044450      0.070920      0.101829
     20.26630      0.34319      5.46513         0.007722     -0.026049     -0.166798
     19.23449      2.04308      4.20437        -0.181951      0.025091     -0.286012
     19.93150      5.59811      7.77688         0.033983      0.049398      0.130989
     19.47330      6.61610      6.91631         0.011256      0.047008      0.020615
     19.79938      7.93864      7.18511         0.031478      0.133896     -0.075570
     -0.78175      6.00577      9.02077        -0.072584     -0.002921     -0.081507
     -0.48678      7.34011      9.30372        -0.014149     -0.021356     -0.077446
     20.52096      8.29122      8.31533         0.012865      0.006296      0.050981
     -0.33019      9.71318      8.19736        -0.836902     -0.594834     -0.782528
     19.57646      9.16235      6.35228         0.528943     -0.037633      0.791748
     20.25982     11.61201      6.62556        -0.142420     -0.253069      0.008556
     19.26616     12.05121      5.73941        -0.197002     -0.053375     -0.031256
     19.10281     13.40239      5.46709        -0.089470      0.086050      0.054278
     21.14472     12.58789      7.12237        -0.104423      0.038823     -0.094197
     20.98852     13.94909      6.81145        -0.016861      0.193980      0.010102
     19.89848     14.42935      6.01918        -0.009909     -0.083552      0.033166
     19.45950     15.86143      5.87547        -0.012932      0.083609     -0.150190
     18.80966     16.43699      4.73586         0.005827     -0.121669      0.007448
     18.23410     17.71216      4.79693         0.014232      0.063481     -0.016765
     19.54553     16.73323      6.98720        -0.026130     -0.026265     -0.053409
     19.02719     18.02498      7.02943        -0.075007      0.078311      0.064707
     18.30074     18.53137      5.94321        -0.076156     -0.032216     -0.080072
     18.59883     15.72888      3.39715         0.050000      0.110824      0.028861
      0.80892     14.87473      7.34762        -0.106711     -0.118186     -0.071225
     12.70414      5.27527      3.96040         0.053438      0.009324      0.068139
     13.45509      3.70205     20.53465         0.090382      0.043481     -0.061913
     13.28078      6.12104     21.00454         0.081577      0.028123     -0.036842
     12.95638      7.22921      4.37601         0.041446     -0.083730      0.031200
     13.29072      8.03816      0.12107         0.030994     -0.090864     -0.147910
     13.66206     10.44534      0.60576        -0.031917     -0.119946     -0.075321
     13.44686     13.15243      8.92153        -0.033063      0.032675     -0.088358
     13.24988     11.31562      7.39279         0.046838      0.042995      0.073022
     14.31344     13.90551      4.17541         0.072566      0.038088     -0.252476
     12.62911     17.16494     11.39741         0.031299     -0.044656     -0.023926
     15.54478     16.83790      7.47041        -0.110332     -0.006874      0.102950
     15.48464     18.91694      8.72187        -0.030672     -0.200457      0.039354
      9.42193      6.82338      3.05424         0.014179      0.056585     -0.150450
     10.49335      3.58538      6.71100         0.038157     -0.034567     -0.097405
     10.72811      5.98710      7.09649        -0.019469     -0.023011      0.073555
     10.01663      8.94302      3.47358        -0.005555     -0.056529     -0.141826
     10.10154      7.74015      7.63888         0.010786     -0.023722      0.023325
     10.28975     10.08623      8.33886        -0.063247     -0.006262     -0.004231
     12.00304     16.02229      2.28086         0.047502     -0.064897     -0.058259
     11.38941     13.79665      2.78569        -0.025221      0.066596     -0.045925
     10.13379     15.04464      6.67795         0.054356      0.059678      0.071663
     13.45631     20.30104      1.20701         0.002944      0.001120     -0.092000
     11.52527     19.30847      5.54153        -0.071262      0.039616      0.001130
     12.01542      0.26990      5.03448         0.017022     -0.024997      0.054243
     10.61507      9.17961     17.60392         0.091821     -0.067176     -0.009906
     10.72023      7.63695     12.85122         0.033512     -0.097972     -0.131522
     10.67949     10.03144     13.35847         0.089401     -0.043498     -0.088558
     10.83499     11.28469     17.95002         0.014938     -0.067414      0.001191
     10.62886     11.81508     13.63275         0.052182      0.011862      0.021809
     10.81034     14.25100     13.90319        -0.016591     -0.110456      0.048694
      9.13945     17.77255      0.11660        -0.048296     -0.008374      0.029172
      9.56623     15.79506     20.21104         0.064665      0.099385      0.074770
     12.10798     17.92493     17.52896         0.004382      0.052181      0.026273
      8.60605      0.05722      2.97288        -0.006640      0.104427      0.185747
     10.97443      0.61216     20.00737         0.117331     -0.076063     -0.043701
     10.75345      2.46973      0.18120        -0.062430      0.103062     -0.138728
      6.81245     10.66808     15.67135        -0.017222      0.017209     -0.064746
      7.97886      7.40682     19.28850        -0.063698      0.005055     -0.007765
      8.06278      9.81807     19.73437        -0.078494     -0.033616      0.059406
      6.89575     12.83159     16.20143         0.064296     -0.102152     -0.079087
      7.66202     11.52553     20.27895        -0.045223      0.021945      0.035344
      7.58346     13.82793     -0.20132        -0.012600      0.020103     -0.062749
      9.62385     19.83525     15.71838         0.057502     -0.056766      0.116906
      8.83009     17.65872     15.98865         0.068661     -0.150027     -0.059517
      6.33197     18.95209     19.20970        -0.045956      0.046797      0.082564
     10.99738      2.91535     14.78186        -0.019598      0.092956      0.102858
      8.31102      1.92285     18.69209        -0.064267      0.012699     -0.008007
      8.96291      4.12163     18.32918         0.053534      0.202965      0.366779
      6.99704     12.94324      9.03260         0.077563      0.015298      0.025226
      6.85343     11.37684      4.28588        -0.035448     -0.025481      0.025513
      6.93020     13.76942      4.77261        -0.018747     -0.033782     -0.018563
      7.28289     15.10207      9.35155         0.025849     -0.062423      0.023986
      6.91695     15.61056      5.05881        -0.056723     -0.022973     -0.090701
      7.12540     18.04574      5.31050        -0.146551     -0.067085      0.031686
      6.64190      0.27574     13.09120         0.077868      0.060405     -0.158837
      6.81902     19.58378     11.80817        -0.109413     -0.062928      0.077302
      8.93803      0.48397      8.79962         0.180053     -0.059753     -0.064189
      6.26546      3.95687     15.75744         0.037312      0.075245      0.121544
      8.35383      4.26851     11.37618         0.111474     -0.007713     -0.031338
      8.23083      6.22742     12.73092        -0.067646      0.107817     -0.135577
      4.25659     14.48549      8.43603        -0.254356      0.036639     -0.060137
      5.02265     11.36924     12.25627        -0.089866      0.006932     -0.010726
      5.16474     13.80521     12.60509         0.023640      0.007306      0.111267
      3.77814     16.45043      8.91833         0.011387      0.043492     -0.085012
      5.34020     15.67781     12.90389        -0.037262     -0.092181      0.014243
      5.05603     18.03974     13.49529        -0.004658     -0.063710      0.038273
      6.10117      2.30524      7.65543        -0.031250      0.016947      0.039886
      5.10292      0.25179      7.90282         0.036172      0.019705      0.078765
      3.80107      1.41896     11.80201        -0.093983      0.092240      0.056255
      7.05790      6.58227      6.32122         0.054936      0.101100     -0.016164
      6.00743      5.66040     11.00632        -0.052492      0.010570     -0.211894
      6.30377      7.93583     10.31573         0.041818     -0.153771      0.067884
      2.03921     16.23554      3.39518         0.046138     -0.118052     -0.113588
     -0.44807     14.53898     20.64349        -0.027135     -0.001174     -0.009546
     -0.17371     16.93258     20.97688        -0.172528     -0.022505      0.058142
      1.79824     18.59110      3.72667        -0.032572      0.051966      0.009025
      0.03620     18.62198     21.01638        -0.075356     -0.047426     -0.100468
     -0.20494     -0.22657     21.09804        -0.029823      0.030473     -0.095027
      2.92374      4.13646      6.72333        -0.019741      0.067289     -0.130031
      2.56895      2.09404      5.64941         0.098880      0.056053     -0.040609
      0.08293      4.06248      2.74621        -0.149078     -0.078541     -0.069516
      3.15407      7.81557      9.37605         0.036449     -0.002624      0.153391
      1.72751      8.14041      4.71925         0.052506     -0.097392      0.052959
      2.52279     10.10033      5.83697        -0.052280     -0.046611     -0.078119
      3.53252     17.18372     20.44949        -0.065018      0.086244      0.051665
      5.51896     13.95733      2.44362         0.040383     -0.067808      0.002414
      5.55163     16.33420      2.94130         0.091738     -0.009790      0.045378
      3.71218     19.50673     -0.21788         0.019904     -0.044429      0.057750
      5.37869     18.03587      3.51807        -0.001490      0.015391      0.061661
      5.67227     20.32073      4.31780         0.007718      0.002149      0.024946
      2.44985      5.74854     -0.30505        -0.158788      0.027950      0.172117
      2.82622      3.40997     -0.16213         0.056148      0.088630     -0.090221
      5.26366      4.05876      3.29558        -0.072537     -0.098341      0.101962
      0.28481      9.98187      1.03741         0.032641     -0.002622      0.045197
      4.80554      8.60826      2.22479         0.102611      0.076116      0.069431
      4.17201     10.88171      2.61369        -0.078390      0.014153      0.044462
     19.87009     19.47101     15.87563         0.115812      0.057909      0.036344
     16.63661     17.85718     12.41318        -0.038007      0.033377      0.019539
     17.12149     20.25712     12.61454        -0.128506      0.042567     -0.001633
     20.05574      0.34898     16.13862         0.120095     -0.165641      0.088564
     17.16828      0.85864     12.93634         0.013243      0.032636     -0.001834
     17.26619      3.28564     13.21114         0.031408      0.020213      0.029990
      2.28354      6.84335     17.80083        -0.070207      0.059023      0.055909
      1.13341      4.82084     17.26408         0.195674      0.007959     -0.085184
     18.75461      6.99793     16.90735        -0.283463     -0.037818     -0.020157
      4.39020     10.48080     19.78573        -0.127303      0.205254      0.120025
     -0.14032     10.77887     18.08061         0.124908      0.054656      0.111203
      0.84605     12.73204     19.00411         0.046576     -0.144439     -0.114771
      0.51357      0.04740     12.86358        -0.066611      0.046672     -0.056906
      2.91077     18.11236     15.90570        -0.033003      0.075520     -0.091670
      3.00896     20.55196     16.32355         0.150797     -0.010184      0.053974
      0.81483      2.05564     13.16549        -0.122167     -0.083012     -0.158927
      2.82348      1.08302     16.87519         0.154812     -0.017565     -0.026752
      3.45987      3.42141     17.17980         0.118167      0.045194      0.008473
     19.81121      9.02668     13.91254        -0.102572      0.050289      0.028566
     20.62495      6.86188     13.64688        -0.015484      0.140253      0.065232
      3.27087      8.20776     14.73065         0.149449      0.103416      0.003385
     17.88512     13.12266     14.20411        -0.164156      0.011065     -0.068762
      1.30376     12.49293     15.43143         0.024844     -0.039039     -0.061874
      0.38241     14.66941     15.50708         0.019931     -0.144449      0.094502
     17.22905      2.30756      8.03762        -0.024865      0.047496     -0.008285
     15.56786      1.11703      3.46084        -0.048984      0.053230      0.016803
     15.36537      3.41311      4.26738        -0.036332     -0.007858     -0.017908
     16.89216      4.63593      8.64955         0.048410     -0.063344     -0.057094
     15.31829      5.03435      4.61914         0.125651      0.108551     -0.111094
     15.52486      7.45061      4.73337        -0.007605      0.028605      0.031708
     19.97074     10.95397     11.25432         0.065804     -0.047840      0.021480
     18.91465      9.02417     10.34681         0.023185     -0.024876      0.133600
     16.38120     11.54507      8.01609        -0.012356      0.007369     -0.115370
      1.43046     14.63278     12.28768         0.128594      0.074854      0.054607
     18.10955     15.03346     10.70794        -0.053465     -0.074713      0.033126
     19.22777     16.97688     11.52369        -0.036261     -0.101268     -0.103782
     18.97300      4.60600      5.38794         0.062120      0.004454      0.005316
     -0.10419      1.04271      8.16308        -0.051547      0.087466      0.056179
     -0.32945      3.33466      9.05966        -0.032996      0.098211      0.227055
     18.93999      6.38872      5.99884        -0.033286      0.012338      0.006241
     -0.53224      5.25713      9.76769        -0.020058     -0.009257      0.124976
     -0.07897      7.62595     10.27012         0.227297     -0.021394      0.066654
     18.25674     13.66218      4.84018        -0.049394      0.027508      0.076128
     18.56832     11.32934      5.31449         0.065203      0.158206     -0.014412
      0.69286     12.29872      7.77779         0.163764     -0.078050      0.026701
     17.66687     18.04586      3.93686         0.048539      0.117981     -0.069853
     19.98494     16.36961      7.91085         0.062876      0.003776     -0.060780
     19.16484     18.63610      7.91799        -0.017866     -0.087695      0.086212
     13.98246     19.11454     10.72566        -0.061840      0.071945      0.050788
     19.55617      0.06306      3.46523        -0.061069     -0.127763     -0.148397
     12.97942      1.24176      2.65863         0.042919     -0.079213     -0.026245
     13.63167     11.37804      4.71193         0.064300     -0.119674     -0.089422
      9.62988      2.56540      2.67105        -0.053320     -0.090373     -0.108506
     10.37630     12.84287      5.11356        -0.068092     -0.017627     -0.078147
     10.42992      5.12121     16.21108         0.064223      0.239940      0.168379
     10.92647     15.51398     17.91592         0.177759     -0.024313      0.025285
      7.18168      6.40596     15.28639        -0.202669      0.043626     -0.021789
      7.20548     16.69317     17.94479        -0.188586      0.043267     -0.134807
      6.78024      8.87693      7.75168         0.010992      0.053852      0.111542
      7.64143     19.34355      9.28099        -0.009662     -0.139227      0.106369
      3.44999     10.26499      8.47249         0.092913      0.061325      0.094773
      4.07236     20.51203     10.29486         0.012708      0.235810     -0.212968
      1.67772     12.06393      1.96391        -0.080856     -0.071124      0.065746
      1.24780      1.59600      3.34216         0.079342     -0.020007      0.169035
      3.37516     12.93380     20.16972         0.039446      0.144054      0.079991
      4.31416      2.05774      1.68638        -0.063596     -0.186646     -0.255943
     19.11468     15.42147     14.82222        -0.119635      0.072789     -0.048036
     19.91030      4.56890     16.29739         0.006874     -0.036177      0.157014
      0.46650     17.09365     12.58968         0.112247     -0.114636      0.090151
      1.81795      5.99410     14.27268         0.028519      0.038492     -0.038857
     17.64109     19.80934      5.97868        -0.077353      0.025181      0.102376
     17.03855      8.90581      8.40596         0.066200     -0.053054      0.128516
     19.62685      0.69490      4.25444         0.010967      0.205858      0.225976
     20.29079     10.22968      7.01346         0.045582      0.164223     -0.069067
     12.61034      2.36579      4.71314         0.177713      0.015345     -0.140057
     13.73064      0.98707      0.41341        -0.013210      0.032658      0.134357
     13.27769      9.53644      6.18073         0.054629      0.183058     -0.453376
     14.04109     12.50412      2.65219        -0.070984     -0.142530      0.153184
      9.44843      4.38896      1.17825        -0.065718      0.005429     -0.068292
      9.75384      1.39260      4.72306        -0.064085      0.422800     -0.306026
     10.15647     11.88297      2.94924        -0.050508      0.016723      0.278445
     10.26045     12.96903      7.47105        -0.077552     -0.015939      0.032983
     10.46104      6.18572     18.34028         0.069516     -0.004160     -0.550504
     10.76824      4.88005     13.88350         0.055212     -0.033827     -0.129104
     10.87173     13.81300     19.56409         0.032463      0.140693     -0.336763
     10.99363     16.53382     15.78975         0.024015     -0.141175      0.123533
      6.96709      8.20732     13.77584        -0.114853     -0.005610      0.062223
      7.29880      5.26073     17.35148        -0.183130      0.329383     -0.120085
      6.84183     15.82246     15.77081         0.094206      0.043716      0.209522
      7.08682     16.74389     20.29867        -0.110761      0.126858      0.155746
      7.05575     10.03805      9.80231         0.009120     -0.045071     -0.075778
      6.95003      8.58523      5.39465        -0.133579      0.150023      0.307985
      7.71716     17.63392     10.92860         0.031327      0.105319     -0.411346
      7.18718     20.37003      7.19813         0.195680     -0.328704      0.279425
      3.42701     11.97549      6.83525         0.084755     -0.168752      0.317453
      3.87227      9.24529     10.59429        -0.023625      0.068529     -0.090805
      3.54899     19.48222      8.22897        -0.054866      0.140592     -0.659607
      4.26280     20.70050     12.63811        -0.044104      0.057727      0.102653
      2.86741     13.07885      3.75095        -0.192345      0.043155     -0.396086
     -0.06605     11.91812      0.34384         0.194994      0.092796      0.109373
      2.41550      0.13584      4.83031        -0.212843      0.030263     -0.195557
      0.14468      2.26166      1.35170         0.218000     -0.187505      0.254393
      2.63855     14.77319     18.87017         0.007303     -0.084212      0.075245
      4.79294     11.79241      0.42882        -0.006925      0.195032     -0.038193
      3.18389      1.27075     -0.25316         0.096493     -0.086314     -0.002627
      5.67615      1.95497      3.61659        -0.239637     -0.250671     -0.249829
     -0.63937     16.58330     16.23932        -0.366997      0.017266     -0.153439
     17.18751     15.09185     13.46725         0.049490     -0.004376      0.016749
     -0.14072      2.82351     17.37157        -0.210813      0.163837     -0.056870
     18.43912      5.61432     14.77271         0.068486     -0.013500      0.056109
     20.76874     18.88936     11.39677         0.270855     -0.099451      0.352326
      1.87976     15.94592     14.10505         0.017756     -0.027383     -0.029658
      0.32096      4.96864     12.75378        -0.491186      0.121489     -0.556528
      3.49524      6.18752     15.93444        -0.270569     -0.288979     -0.419224
     18.28283     20.67148      8.10815        -0.192826      0.001982     -0.227873
     16.40226     19.69410      3.94768         0.143062      0.074819      0.102412
     17.56732      7.24105     10.02648        -0.264328      0.155526     -0.421329
     16.29826      9.82664      6.35761        -0.022292     -0.145118      0.240594
     18.70325      2.59851      3.24533         0.183097     -0.205184      0.448832
     20.74780     20.50168      5.70054        -0.040214      0.093409      0.042662
     18.92357      9.24992      5.33716        -0.256835      0.055165     -0.589132
      0.42039     10.32594      8.91083         0.692731      0.527431      0.573734
     14.11191     17.24787      5.68724        -0.038442     -0.036362      0.053286
     16.06500     16.23729      5.67943        -0.022035     -0.107061      0.079956
     14.68575     15.96591      4.03923        -0.082724     -0.056936     -0.149221
     11.64280     15.26034     11.43985        -0.041164     -0.101456     -0.084545
     11.44199     14.29068      9.49283        -0.108746     -0.010063      0.087417
     13.13785     13.79417     10.81704        -0.121302      0.039102      0.095404
     11.91882     18.09705      7.09961        -0.014275     -0.069855      0.016313
      9.87619     18.51898      6.38109         0.018767     -0.006547     -0.009378
     10.25997     16.85931      7.73542         0.058604     -0.032801     -0.146696
     13.82521     18.51730      0.29783        -0.003669      0.049637      0.026600
     14.22539     16.97094      1.75372        -0.039056     -0.146700      0.156038
     12.29122     17.04706      0.70906         0.046887      0.063349     -0.013154
     11.55466      0.03214     18.22556         0.065451      0.049444      0.004897
     13.11083     -0.68685     19.62246        -0.111971      0.125377      0.032224
     13.00118     19.81193     17.59016         0.019773     -0.109601      0.017590
      8.08387     19.34955      3.07005         0.139830      0.063750      0.294095
      7.69587     18.54182      1.11623        -0.108078      0.065471     -0.124788
      9.58879     18.08458      2.15612        -0.084012     -0.023004     -0.027306
      7.54069      0.84698     20.04216        -0.144648     -0.163510      0.121520
      6.04339      1.18335     18.45759         0.144308     -0.028218      0.132559
      5.76860     20.86221     19.91444         0.103047     -0.099446     -0.154797
     10.99040      1.26599     13.64601         0.031479     -0.059127     -0.015003
     11.50235     -0.27792     15.09941        -0.217068     -0.028150     -0.020622
      9.53943     20.98513     14.07647         0.084044      0.047650     -0.014931
      9.11451      3.65829      9.55362        -0.029011     -0.044404      0.046151
     10.42571      2.97129     11.18448        -0.037887      0.050458      0.094736
     10.48575      1.99642      9.23494        -0.096683      0.041369      0.124937
      6.05845      2.01954     16.15521        -0.015834      0.028622      0.314069
      5.17917      1.23269     14.36056        -0.107303      0.029722     -0.261463
      7.13090      0.52899     15.01044         0.035095      0.197442     -0.080857
      4.24750      5.13244     11.85281         0.161684     -0.056478     -0.174157
      2.67750      3.64578     11.56802         0.103807      0.130325     -0.019606
      4.33376      3.29203     12.97733        -0.067096      0.092908     -0.252547
      7.38717      4.70210      5.48997        -0.171069      0.121906      0.110072
      7.68985      3.09955      6.90958         0.061323      0.021768      0.043286
      5.67431      3.52352      6.09276         0.052767     -0.019616      0.118194
     -0.56240      7.23331      4.78336         0.035230     -0.005166      0.246676
      0.66840      7.15550      3.03797        -0.005746     -0.018495      0.168101
     -1.18016      5.94990      3.15962         0.107051     -0.133080      0.010796
      2.75160      5.88757      9.92622        -0.317605      0.061721     -0.111153
      1.56447      4.62595      8.62567        -0.186665     -0.130060     -0.141387
      3.69614      4.86136      8.26842         0.109055     -0.055953     -0.000164
      6.17499      6.74750      3.44658        -0.054703      0.014712     -0.098543
      4.30437      7.63394      4.18455        -0.058364     -0.187702     -0.104332
      4.86548      5.66182      4.83278         0.029540     -0.070648      0.229690
     -0.43775      8.36478     21.18616         0.122821     -0.217153      0.240576
      1.18966      7.16491     -0.89014        -0.005353      0.096745     -0.009714
      0.09334      6.44666      0.80898        -0.012352     -0.117165      0.162657
     19.49134      9.69401     19.29363         0.063219     -0.112980     -0.144954
     19.44341     10.24038     17.16515        -0.010903     -0.028799      0.074199
     18.09430      8.71831     17.95138        -0.090293     -0.035148     -0.045111
      4.82898      8.55607     19.98942         0.151028     -0.043420      0.155141
      3.55705      6.98062     19.30749        -0.244383     -0.148983      0.010139
      4.52113      8.27105     17.84642        -0.031232      0.028739     -0.277192
      3.00962     11.79083     14.18722        -0.117166     -0.001280     -0.003873
      2.71466     11.21627     16.28726         0.083293      0.052613     -0.057867
      4.12830     10.14167     15.02601        -0.159782     -0.090015     -0.041422
     17.12666     11.27509     13.77977         0.028003      0.139421      0.028413
     18.55469      9.97613     12.81458        -0.082540      0.018140      0.013445
     18.12416      9.75054     14.94539         0.008557     -0.051720      0.151782
     16.31737     14.29965      9.73154         0.053670     -0.002099     -0.006034
     18.04910     14.84420      8.48996         0.096906     -0.061028     -0.025175
     16.45450     13.65520      7.64265         0.148275     -0.018642     -0.103213
      1.93541     12.75538     12.10413         0.154800      0.010765      0.088796
      0.52785     11.22160     11.65087        -0.112004     -0.053306     -0.109124
      1.40965     12.42708     10.03403        -0.132837      0.016722     -0.271376
      1.09205     15.89371      6.48330        -0.024205      0.067437      0.038982
      0.48185     15.44909      8.56063         0.087484     -0.007978     -0.051579
      1.98770     14.23031      7.57088        -0.106880      0.016722     -0.094596
     18.36389     16.60474      2.37201         0.123293      0.089236      0.081779
     19.66808     14.97326      3.00851         0.114457     -0.001753      0.153899
     17.51576     14.88535      3.39178        -0.140542      0.034388      0.026791
 -----------------------------------------------------------------------------------
    total drift:                                0.023000     -0.002143      0.006137


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4580.6387072106 eV

  energy  without entropy=    -4580.7913203665  energy(sigma->0) =    -4580.68957826
 
 d Force = 0.4162453E+00[ 0.123E+00, 0.710E+00]  d Energy = 0.4155606E+00 0.685E-03
 d Force = 0.6353495E+03[ 0.635E+03, 0.636E+03]  d Ewald  = 0.6353497E+03-0.218E-03


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------


 Conjugate gradient step on ions:
 trial-energy change:   -0.415561  1 .order   -0.416245   -0.709581   -0.122910
  (g-gl).g = 0.230E+01      g.g   = 0.229E+01  gl.gl    = 0.262E+01
 g(Force)  = 0.229E+01   g(Stress)= 0.000E+00 ortho     =-0.125E-02
 gamma     =   0.87846
 trial     =   0.31068
 opt step  =   0.37576  (harmonic =   0.37576) maximal distance =0.06044020
 next E    = -4580.652267   (d E  =  -0.42912)


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   93(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3152
 total energy-change (2. order) : 0.4353065E-01  (-0.2737030E+01)
 number of electron    2498.0000031 magnetization 
 augmentation part      162.7129355 magnetization 

  free energy =  -0.458059517961E+04  energy without entropy=  -0.458074743817E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   93(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3528
 total energy-change (2. order) :-0.5651332E-01  (-0.6804461E-01)
 number of electron    2498.0000031 magnetization 
 augmentation part      162.7112102 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8700
  0.8700

  free energy =  -0.458065169293E+04  energy without entropy=  -0.458080406716E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   93(   3)  ---------------------------------------



 eigenvalue-minimisations  :  3680
 total energy-change (2. order) : 0.1415620E-02  (-0.1269902E-02)
 number of electron    2498.0000031 magnetization 
 augmentation part      162.7084789 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4298
  1.0470  1.8126

  free energy =  -0.458065027731E+04  energy without entropy=  -0.458080256172E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   93(   4)  ---------------------------------------



 eigenvalue-minimisations  :  3488
 total energy-change (2. order) :-0.7006086E-03  (-0.1007842E-02)
 number of electron    2498.0000031 magnetization 
 augmentation part      162.7092417 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3044
  2.2102  0.8515  0.8515

  free energy =  -0.458065097792E+04  energy without entropy=  -0.458080315916E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   93(   5)  ---------------------------------------



 eigenvalue-minimisations  :  3784
 total energy-change (2. order) :-0.7273798E-04  (-0.1934248E-03)
 number of electron    2498.0000031 magnetization 
 augmentation part      162.7093057 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3591
  2.4364  1.0515  1.0515  0.8971

  free energy =  -0.458065105066E+04  energy without entropy=  -0.458080313877E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   93(   6)  ---------------------------------------



 eigenvalue-minimisations  :  3560
 total energy-change (2. order) : 0.4661645E-04  (-0.1015958E-03)
 number of electron    2498.0000031 magnetization 
 augmentation part      162.7086644 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2930
  2.3861  1.0331  1.0331  1.0064  1.0064

  free energy =  -0.458065100404E+04  energy without entropy=  -0.458080309689E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   93(   7)  ---------------------------------------



 eigenvalue-minimisations  :  3520
 total energy-change (2. order) : 0.2412358E-05  (-0.1239032E-04)
 number of electron    2498.0000031 magnetization 
 augmentation part      162.7088707 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2717
  2.4078  1.0470  1.0470  1.1949  1.1949  0.7386

  free energy =  -0.458065100163E+04  energy without entropy=  -0.458080300679E+04


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   93(   8)  ---------------------------------------



 eigenvalue-minimisations  :  2696
 total energy-change (2. order) : 0.1070555E-05  (-0.3306253E-05)
 number of electron    2498.0000031 magnetization 
 augmentation part      162.7088707 magnetization 

  free energy =  -0.458065100056E+04  energy without entropy=  -0.458080302351E+04


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     0.6991  0.5201  0.7089  0.7215  0.7167
  (the norm of the test charge is              1.0000)
       1 -55.9981       2 -56.1081       3 -55.9786       4 -55.8074       5 -55.8239
       6 -56.2588       7 -58.0903       8 -58.2293       9 -56.2418      10 -55.9114
      11 -56.0168      12 -55.8105      13 -55.7799      14 -55.9263      15 -58.0517
      16 -58.1486      17 -56.3328      18 -54.9966      19 -54.9129      20 -55.0416
      21 -55.6419      22 -55.5718      23 -55.5645      24 -55.5748      25 -54.9847
      26 -54.8120      27 -54.9290      28 -54.9133      29 -60.4030      30 -60.3548
      31 -55.7417      32 -55.8399      33 -55.7143      34 -55.5025      35 -55.5558
      36 -56.0326      37 -57.8442      38 -57.9935      39 -56.1480      40 -55.8753
      41 -56.0129      42 -55.7293      43 -55.7623      44 -55.9385      45 -58.0750
      46 -58.2134      47 -56.4668      48 -55.1217      49 -54.9634      50 -55.3087
      51 -55.9120      52 -55.8341      53 -55.7511      54 -55.7297      55 -55.0535
      56 -54.8537      57 -54.9417      58 -56.3500      59 -60.3188      60 -60.6200
      61 -55.9275      62 -56.0678      63 -55.9287      64 -55.7500      65 -55.7351
      66 -56.1796      67 -57.9715      68 -58.1655      69 -56.1853      70 -55.8852
      71 -55.9849      72 -55.7234      73 -55.6980      74 -55.8857      75 -58.0011
      76 -58.0922      77 -56.2733      78 -55.0448      79 -54.8743      80 -55.2004
      81 -55.7656      82 -55.7749      83 -55.8745      84 -55.8664      85 -55.2843
      86 -55.0372      87 -55.1909      88 -56.3764      89 -60.6198      90 -60.3411
      91 -55.7881      92 -55.9063      93 -55.7847      94 -55.5733      95 -55.6291
      96 -56.1143      97 -57.9142      98 -58.0510      99 -56.2070     100 -55.9175
     101 -56.0569     102 -55.7196     103 -55.7781     104 -55.9808     105 -58.1016
     106 -58.1838     107 -56.3880     108 -55.1239     109 -54.9624     110 -55.3801
     111 -55.8910     112 -55.8341     113 -55.6920     114 -55.6451     115 -55.0199
     116 -54.7806     117 -54.8946     118 -56.2161     119 -60.3145     120 -60.5908
     121 -55.9673     122 -56.0068     123 -55.8900     124 -55.7760     125 -55.7915
     126 -56.1963     127 -58.1021     128 -58.1815     129 -56.1819     130 -55.8218
     131 -55.9316     132 -55.7508     133 -55.7084     134 -55.8568     135 -57.9456
     136 -58.0421     137 -56.3337     138 -55.0581     139 -54.9304     140 -55.3260
     141 -55.8208     142 -55.7611     143 -55.8140     144 -55.7784     145 -55.1560
     146 -55.0705     147 -55.2000     148 -56.3381     149 -60.4297     150 -60.4973
     151 -55.6446     152 -55.7858     153 -55.6108     154 -55.4429     155 -55.4711
     156 -55.9255     157 -57.8840     158 -57.9682     159 -55.9938     160 -55.7464
     161 -55.9073     162 -55.5340     163 -55.5531     164 -55.7740     165 -57.9289
     166 -58.1078     167 -56.3801     168 -55.0708     169 -54.9032     170 -55.2135
     171 -55.8557     172 -55.8766     173 -55.8926     174 -55.8104     175 -55.2370
     176 -55.0867     177 -55.1545     178 -56.5109     179 -60.4669     180 -60.5717
     181 -55.7702     182 -56.0296     183 -55.8933     184 -55.5462     185 -55.5687
     186 -56.1350     187 -57.8614     188 -58.1510     189 -56.1991     190 -55.8559
     191 -56.0196     192 -55.6910     193 -55.6745     194 -55.8938     195 -57.9732
     196 -58.1612     197 -56.5229     198 -55.0615     199 -55.0092     200 -55.3331
     201 -55.8441     202 -55.8486     203 -55.8744     204 -55.7942     205 -55.0781
     206 -55.1957     207 -55.1501     208 -56.4364     209 -60.6064     210 -60.5025
     211 -55.9960     212 -56.0465     213 -55.9222     214 -55.8179     215 -55.7830
     216 -56.2582     217 -58.1279     218 -58.1459     219 -56.1678     220 -55.8504
     221 -55.9460     222 -55.6222     223 -55.5521     224 -55.8094     225 -57.9320
     226 -58.1327     227 -56.3942     228 -54.9637     229 -54.8971     230 -55.1388
     231 -55.7044     232 -55.6983     233 -55.6811     234 -55.6872     235 -55.0343
     236 -55.0550     237 -55.1361     238 -56.3861     239 -60.2813     240 -60.3718
     241 -55.9824     242 -56.0560     243 -55.9348     244 -55.7718     245 -55.7810
     246 -56.2349     247 -58.0935     248 -58.1700     249 -56.2262     250 -55.8806
     251 -55.9960     252 -55.7744     253 -55.7729     254 -55.9431     255 -58.0072
     256 -58.0917     257 -56.3365     258 -55.0735     259 -54.9336     260 -55.2542
     261 -55.7717     262 -55.7323     263 -55.7614     264 -55.7947     265 -55.1557
     266 -54.9245     267 -55.1354     268 -56.3407     269 -60.5175     270 -60.3786
     271 -55.8546     272 -55.9330     273 -55.7651     274 -55.6769     275 -55.6112
     276 -56.0058     277 -58.0408     278 -58.0919     279 -55.9125     280 -55.6502
     281 -55.7642     282 -55.4898     283 -55.4948     284 -55.7392     285 -57.9217
     286 -58.0417     287 -56.3018     288 -55.0249     289 -54.9102     290 -55.2318
     291 -55.8503     292 -55.8105     293 -55.8648     294 -55.8626     295 -55.1985
     296 -55.0133     297 -55.0499     298 -56.3929     299 -60.5215     300 -60.5331
     301 -55.8786     302 -56.0469     303 -55.9499     304 -55.6557     305 -55.6881
     306 -56.2125     307 -58.0297     308 -58.2447     309 -56.2617     310 -55.9579
     311 -56.0579     312 -55.7274     313 -55.7312     314 -55.9186     315 -57.9971
     316 -58.1698     317 -56.4556     318 -55.0927     319 -54.9496     320 -55.3175
     321 -55.8277     322 -55.7939     323 -55.8879     324 -55.8760     325 -55.2075
     326 -55.1220     327 -55.2256     328 -56.4043     329 -60.5303     330 -60.4871
     331 -55.7174     332 -55.7379     333 -55.6163     334 -55.5652     335 -55.5288
     336 -55.9549     337 -57.9114     338 -57.8828     339 -55.8526     340 -55.5883
     341 -55.7066     342 -55.4397     343 -55.4544     344 -55.6965     345 -57.9249
     346 -57.9531     347 -56.4042     348 -54.9969     349 -55.0101     350 -55.2796
     351 -55.7591     352 -55.6986     353 -55.6902     354 -55.7083     355 -55.1519
     356 -55.0038     357 -55.0324     358 -56.4162     359 -60.4584     360 -60.5075
     361 -39.0657     362 -38.7903     363 -38.9422     364 -39.0365     365 -38.9838
     366 -38.7305     367 -38.0905     368 -38.1190     369 -38.1184     370 -38.1070
     371 -38.0663     372 -38.1411     373 -38.7299     374 -38.3772     375 -38.7480
     376 -38.8878     377 -38.8620     378 -38.7940     379 -38.1550     380 -38.1234
     381 -38.2987     382 -38.0398     383 -38.2452     384 -37.9198     385 -38.9296
     386 -38.8134     387 -38.9659     388 -38.9496     389 -38.9055     390 -38.5821
     391 -38.2343     392 -38.2624     393 -38.2516     394 -38.3197     395 -38.1691
     396 -38.3425     397 -38.7782     398 -38.5021     399 -38.8446     400 -38.9032
     401 -38.8436     402 -38.7616     403 -38.1284     404 -38.1898     405 -38.4769
     406 -38.0385     407 -38.0663     408 -37.9315     409 -38.8177     410 -38.7857
     411 -39.0014     412 -38.8042     413 -39.0136     414 -38.7232     415 -38.1462
     416 -38.2984     417 -38.3553     418 -38.2383     419 -38.2446     420 -38.3484
     421 -38.6876     422 -38.3782     423 -38.6675     424 -38.7532     425 -38.5988
     426 -38.5687     427 -38.1923     428 -38.0415     429 -38.3097     430 -38.2216
     431 -38.1011     432 -38.0066     433 -38.7255     434 -38.5860     435 -38.8412
     436 -38.6955     437 -38.9685     438 -38.6761     439 -38.2087     440 -38.0242
     441 -38.2279     442 -38.1223     443 -38.1835     444 -38.0730     445 -38.8745
     446 -38.8905     447 -39.0228     448 -38.7587     449 -38.8580     450 -38.4497
     451 -37.9825     452 -37.9159     453 -38.0781     454 -37.9443     455 -38.1553
     456 -38.1348     457 -38.9787     458 -38.7476     459 -38.9490     460 -38.9561
     461 -38.9302     462 -38.7390     463 -38.0988     464 -38.3480     465 -38.3419
     466 -38.2408     467 -38.0861     468 -38.1300     469 -38.9036     470 -38.6442
     471 -38.8032     472 -38.8594     473 -38.6515     474 -38.5332     475 -38.3278
     476 -38.0935     477 -38.2747     478 -38.2414     479 -38.1922     480 -37.9706
     481 -38.8956     482 -38.7321     483 -38.9885     484 -38.9079     485 -39.0215
     486 -38.7637     487 -38.1562     488 -38.2192     489 -38.3210     490 -38.3363
     491 -38.2317     492 -38.3618     493 -38.8061     494 -38.5215     495 -38.6824
     496 -38.7572     497 -38.5110     498 -38.4935     499 -38.1414     500 -37.9417
     501 -38.3207     502 -38.1362     503 -38.1120     504 -38.0103     505 -38.2378
     506 -41.1320     507 -71.6662     508 -71.6317     509 -71.3748     510 -71.6174
     511 -71.5255     512 -71.5275     513 -71.4272     514 -71.5308     515 -71.6073
     516 -71.4552     517 -71.4407     518 -71.4615     519 -71.4484     520 -71.5749
     521 -71.5322     522 -71.5361     523 -71.5803     524 -71.4844     525 -71.5593
     526 -71.4165     527 -71.6236     528 -71.5663     529 -71.1429     530 -71.3708
     531 -76.8778     532 -76.7534     533 -76.7866     534 -76.7205     535 -76.6459
     536 -76.4715     537 -76.8639     538 -76.7466     539 -76.7506     540 -76.6454
     541 -76.7239     542 -76.6600     543 -76.6855     544 -76.5948     545 -76.8203
     546 -76.7729     547 -76.8325     548 -76.7517     549 -76.6912     550 -76.5760
     551 -76.5845     552 -76.5801     553 -76.8155     554 -76.6182     555 -76.7122
     556 -76.5546     557 -76.7891     558 -76.6066     559 -76.7605     560 -76.8244
     561 -76.7887     562 -76.5566     563 -76.7864     564 -76.7714     565 -76.7546
     566 -76.6401     567 -76.7049     568 -76.7393     569 -76.8310     570 -76.5681
     571 -76.8778     572 -76.7218     573 -76.8017     574 -76.6525     575 -76.4946
     576 -76.5579     577 -76.7247     578 -76.6974     579 -82.2819     580 -82.2014
     581 -82.2838     582 -82.3868     583 -82.3294     584 -82.2742     585 -82.4969
     586 -82.5123     587 -82.5196     588 -82.1770     589 -82.1735     590 -82.1869
     591 -82.2657     592 -82.1646     593 -82.2806     594 -82.6217     595 -82.5294
     596 -82.4825     597 -82.4785     598 -82.4413     599 -82.5370     600 -82.2639
     601 -82.0688     602 -82.2629     603 -82.3966     604 -82.4071     605 -82.3380
     606 -82.4075     607 -82.2054     608 -82.3177     609 -82.6480     610 -82.3011
     611 -82.3076     612 -82.3730     613 -82.3886     614 -82.2447     615 -82.6564
     616 -82.3534     617 -82.4236     618 -82.4834     619 -82.7219     620 -82.5654
     621 -82.1212     622 -82.3745     623 -82.2693     624 -82.1112     625 -82.2019
     626 -82.1704     627 -82.1290     628 -82.2430     629 -82.3418     630 -82.3570
     631 -82.5244     632 -82.2779     633 -82.4711     634 -82.3857     635 -82.4354
     636 -82.3766     637 -82.4128     638 -82.3297     639 -82.2873     640 -82.4969
     641 -82.4495     642 -82.3393     643 -82.4953     644 -82.3929     645 -82.4434
     646 -82.3612     647 -82.4610     648 -82.3297     649 -82.4036     650 -82.2919
 
 
 
 E-fermi :  -1.4713     XC(G=0):  -6.5428     alpha+bet : -5.2497


 k-point     1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1     -29.0210      2.00000
      2     -28.9359      2.00000
      3     -28.9029      2.00000
      4     -28.8525      2.00000
      5     -28.8184      2.00000
      6     -28.8102      2.00000
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     10     -28.7493      2.00000
     11     -28.7472      2.00000
     12     -28.7399      2.00000
     13     -28.7064      2.00000
     14     -28.6870      2.00000
     15     -28.6520      2.00000
     16     -28.6406      2.00000
     17     -28.6354      2.00000
     18     -28.6140      2.00000
     19     -28.5845      2.00000
     20     -28.5585      2.00000
     21     -28.5565      2.00000
     22     -28.5399      2.00000
     23     -28.5284      2.00000
     24     -28.4978      2.00000
     25     -26.7478      2.00000
     26     -26.6246      2.00000
     27     -26.6060      2.00000
     28     -26.5818      2.00000
     29     -26.5666      2.00000
     30     -26.5666      2.00000
     31     -26.5486      2.00000
     32     -26.5417      2.00000
     33     -26.5380      2.00000
     34     -26.5288      2.00000
     35     -26.5058      2.00000
     36     -26.5038      2.00000
     37     -26.5004      2.00000
     38     -26.4965      2.00000
     39     -26.4928      2.00000
     40     -26.4841      2.00000
     41     -26.4490      2.00000
     42     -26.4372      2.00000
     43     -26.4281      2.00000
     44     -26.4279      2.00000
     45     -26.4108      2.00000
     46     -26.4065      2.00000
     47     -26.4050      2.00000
     48     -26.3929      2.00000
     49     -26.3855      2.00000
     50     -26.3828      2.00000
     51     -26.3787      2.00000
     52     -26.3683      2.00000
     53     -26.3660      2.00000
     54     -26.3641      2.00000
     55     -26.3391      2.00000
     56     -26.3354      2.00000
     57     -26.3128      2.00000
     58     -26.3109      2.00000
     59     -26.3063      2.00000
     60     -26.2875      2.00000
     61     -26.2810      2.00000
     62     -26.2767      2.00000
     63     -26.2644      2.00000
     64     -26.2586      2.00000
     65     -26.2570      2.00000
     66     -26.2253      2.00000
     67     -26.2203      2.00000
     68     -26.2203      2.00000
     69     -26.1924      2.00000
     70     -26.1761      2.00000
     71     -26.1632      2.00000
     72     -26.1187      2.00000
     73     -23.2391      2.00000
     74     -23.1991      2.00000
     75     -23.1702      2.00000
     76     -23.1678      2.00000
     77     -23.1487      2.00000
     78     -23.1402      2.00000
     79     -23.1172      2.00000
     80     -23.1129      2.00000
     81     -23.1095      2.00000
     82     -23.0991      2.00000
     83     -23.0813      2.00000
     84     -23.0711      2.00000
     85     -23.0625      2.00000
     86     -23.0484      2.00000
     87     -23.0397      2.00000
     88     -23.0237      2.00000
     89     -23.0235      2.00000
     90     -23.0222      2.00000
     91     -22.9695      2.00000
     92     -22.9488      2.00000
     93     -22.9262      2.00000
     94     -22.9196      2.00000
     95     -22.8981      2.00000
     96     -22.8725      2.00000
     97     -22.8621      2.00000
     98     -22.7441      2.00000
     99     -22.7160      2.00000
    100     -22.7124      2.00000
    101     -22.7067      2.00000
    102     -22.6956      2.00000
    103     -22.6829      2.00000
    104     -22.6810      2.00000
    105     -22.6692      2.00000
    106     -22.6329      2.00000
    107     -22.5964      2.00000
    108     -22.5931      2.00000
    109     -22.5910      2.00000
    110     -22.5881      2.00000
    111     -22.5665      2.00000
    112     -22.5619      2.00000
    113     -22.5601      2.00000
    114     -22.5474      2.00000
    115     -22.5297      2.00000
    116     -22.5292      2.00000
    117     -22.4873      2.00000
    118     -22.4840      2.00000
    119     -22.4361      2.00000
    120     -22.3917      2.00000
    121     -20.4500      2.00000
    122     -20.4305      2.00000
    123     -20.3915      2.00000
    124     -20.3860      2.00000
    125     -20.3827      2.00000
    126     -20.3603      2.00000
    127     -20.3510      2.00000
    128     -20.3481      2.00000
    129     -20.3416      2.00000
    130     -20.3414      2.00000
    131     -20.3157      2.00000
    132     -20.2874      2.00000
    133     -20.2775      2.00000
    134     -20.2663      2.00000
    135     -20.2558      2.00000
    136     -20.2536      2.00000
    137     -20.2417      2.00000
    138     -20.2293      2.00000
    139     -20.2288      2.00000
    140     -20.2131      2.00000
    141     -20.1279      2.00000
    142     -20.1253      2.00000
    143     -20.0839      2.00000
    144     -20.0330      2.00000
    145     -18.6804      2.00000
    146     -18.5874      2.00000
    147     -18.5769      2.00000
    148     -18.5679      2.00000
    149     -18.5203      2.00000
    150     -18.5159      2.00000
    151     -18.4882      2.00000
    152     -18.4816      2.00000
    153     -18.4795      2.00000
    154     -18.4299      2.00000
    155     -18.4158      2.00000
    156     -18.4023      2.00000
    157     -18.3615      2.00000
    158     -18.2997      2.00000
    159     -18.2816      2.00000
    160     -18.2748      2.00000
    161     -18.2479      2.00000
    162     -18.2437      2.00000
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    165     -18.1835      2.00000
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    167     -18.1449      2.00000
    168     -18.0885      2.00000
    169     -17.9800      2.00000
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    171     -17.9374      2.00000
    172     -17.9062      2.00000
    173     -17.8902      2.00000
    174     -17.8777      2.00000
    175     -17.8530      2.00000
    176     -17.8475      2.00000
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    178     -17.8014      2.00000
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    180     -17.7642      2.00000
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    182     -17.5946      2.00000
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    184     -17.5527      2.00000
    185     -17.5482      2.00000
    186     -17.5345      2.00000
    187     -17.5203      2.00000
    188     -17.5086      2.00000
    189     -17.4978      2.00000
    190     -17.4945      2.00000
    191     -17.4486      2.00000
    192     -17.4396      2.00000
    193     -16.7714      2.00000
    194     -16.7509      2.00000
    195     -16.7301      2.00000
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    197     -16.6864      2.00000
    198     -16.6587      2.00000
    199     -16.6156      2.00000
    200     -16.6003      2.00000
    201     -16.5731      2.00000
    202     -16.5457      2.00000
    203     -16.5038      2.00000
    204     -16.4857      2.00000
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    206     -16.1841      2.00000
    207     -16.1600      2.00000
    208     -16.1311      2.00000
    209     -16.1018      2.00000
    210     -16.0690      2.00000
    211     -16.0234      2.00000
    212     -15.9967      2.00000
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    214     -15.9341      2.00000
    215     -15.9085      2.00000
    216     -15.7809      2.00000
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    220     -15.6546      2.00000
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    225     -15.5808      2.00000
    226     -15.5692      2.00000
    227     -15.5220      2.00000
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    229     -15.4747      2.00000
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   1550       6.0215      0.00000
   1551       6.0261      0.00000
   1552       6.0317      0.00000
   1553       6.0478      0.00000
   1554       6.0532      0.00000
   1555       6.0687      0.00000
   1556       6.0775      0.00000
   1557       6.0812      0.00000
   1558       6.0899      0.00000
   1559       6.1001      0.00000
   1560       6.1029      0.00000
   1561       6.1118      0.00000
   1562       6.1286      0.00000
   1563       6.1389      0.00000
   1564       6.1434      0.00000
   1565       6.1559      0.00000
   1566       6.1581      0.00000
   1567       6.1727      0.00000
   1568       6.1779      0.00000
   1569       6.1851      0.00000
   1570       6.1940      0.00000
   1571       6.2044      0.00000
   1572       6.2124      0.00000
   1573       6.2194      0.00000
   1574       6.2292      0.00000
   1575       6.2334      0.00000
   1576       6.2484      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component           1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:           1
 10.086  13.409  -0.001   0.001  -0.000   0.002  -0.004   0.000
 13.409  17.827  -0.001   0.001  -0.000   0.003  -0.005   0.000
 -0.001  -0.001  -4.231   0.003   0.000   8.274  -0.004  -0.000
  0.001   0.001   0.003  -4.231   0.001  -0.004   8.273  -0.001
 -0.000  -0.000   0.000   0.001  -4.223  -0.000  -0.001   8.265
  0.002   0.003   8.274  -0.004  -0.000 -18.312   0.007   0.000
 -0.004  -0.005  -0.004   8.273  -0.001   0.007 -18.309   0.001
  0.000   0.000  -0.000  -0.001   8.265   0.000   0.001 -18.302
 total augmentation occupancy for first ion, spin component:           1
  8.514  -3.842   0.152   0.118  -0.042   0.018   0.023  -0.007
 -3.842   1.806  -0.076  -0.082   0.024  -0.007  -0.014   0.004
  0.152  -0.076   1.791  -0.061  -0.029   0.170  -0.011  -0.005
  0.118  -0.082  -0.061   1.898  -0.106  -0.011   0.178  -0.015
 -0.042   0.024  -0.029  -0.106   1.232  -0.005  -0.015   0.082
  0.018  -0.007   0.170  -0.011  -0.005   0.018  -0.002  -0.001
  0.023  -0.014  -0.011   0.178  -0.015  -0.002   0.018  -0.002
 -0.007   0.004  -0.005  -0.015   0.082  -0.001  -0.002   0.006


------------------------ aborting loop because EDIFF is reached ----------------------------------------



  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z  2907.85872  2907.85872  2907.85872
  Ewald  -48175.82316 80482.47083 17052.60034 -8816.55632  6169.45247 16885.87658
  Hartree  7581.71264107433.18646 54882.76028 -9238.07919  4103.53133 11129.60068
  E(xc)  -10737.06547-10589.47157-10631.88562     2.59112     8.46061    33.79714
  Local    7172.83537************************ 18051.38580-10283.20207-27391.11817
  n-local -5844.26019 -5986.80517 -6039.90694     6.84615    15.51415   -67.81040
  augment  1492.60411  1534.79129  1486.96330     4.54429    11.92883    -4.68980
  Kinetic 45469.03855 43292.06819 43673.67115   -33.54208   -70.33192  -594.36705
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total     -133.0994370   -362.9415926   -153.1351574    -22.8102227    -44.6465977     -8.7110215
  in kB      -22.1953965    -60.5234157    -25.5365133     -3.8037872     -7.4451775     -1.4526326
  external PRESSURE =     -36.0851085 kB  Pullay stress =       0.0000000 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      400.00
  volume of cell :     9607.80
      direct lattice vectors                 reciprocal lattice vectors
    21.258924900  0.000000000  0.000000000     0.047039067  0.000000000  0.000000000
     0.000000000 21.258924900  0.000000000     0.000000000  0.047039067  0.000000000
     0.000000000  0.000000000 21.258924900     0.000000000  0.000000000  0.047039067

  length of vectors
    21.258924900 21.258924900 21.258924900     0.047039067  0.047039067  0.047039067


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.207E+03 -.104E+03 0.229E+03   0.207E+03 0.104E+03 -.230E+03   -.546E-01 -.571E+00 0.139E+01   0.121E-02 -.195E-03 0.123E-02
   -.164E+03 -.126E+03 0.503E+02   0.164E+03 0.128E+03 -.501E+02   0.340E+00 -.129E+01 -.537E+00   0.978E-03 0.194E-05 0.948E-03
   -.131E+03 -.118E+03 0.526E+01   0.131E+03 0.120E+03 -.365E+01   0.387E+00 -.135E+01 -.154E+01   0.126E-02 -.114E-04 0.100E-02
   -.198E+03 -.884E+02 0.320E+03   0.198E+03 0.884E+02 -.323E+03   -.378E+00 0.888E-01 0.251E+01   0.200E-02 -.262E-03 0.148E-02
   -.153E+03 -.140E+03 0.288E+03   0.153E+03 0.141E+03 -.289E+03   -.685E-01 -.785E+00 0.122E+01   0.244E-02 -.968E-04 0.176E-02
   -.123E+03 -.106E+03 0.167E+03   0.123E+03 0.106E+03 -.167E+03   0.887E-01 -.112E+00 0.341E+00   0.187E-02 0.121E-03 0.147E-02
   -.212E+03 -.122E+03 0.156E+03   0.212E+03 0.126E+03 -.157E+03   0.334E+00 -.446E+01 0.885E+00   0.694E-03 0.273E-03 0.759E-03
   -.163E+03 -.985E+02 0.284E+02   0.164E+03 0.103E+03 -.303E+02   -.492E+00 -.406E+01 0.202E+01   0.651E-03 0.418E-03 0.246E-03
   -.849E+02 0.179E+01 0.195E+03   0.848E+02 -.181E+01 -.196E+03   0.176E+00 -.244E-01 0.285E+00   0.204E-02 0.323E-03 0.109E-02
   -.696E+02 0.885E+02 0.599E+02   0.693E+02 -.902E+02 -.588E+02   0.289E+00 0.173E+01 -.102E+01   0.211E-02 0.256E-04 0.549E-03
   -.697E+02 0.100E+03 0.124E+03   0.694E+02 -.101E+03 -.124E+03   0.391E+00 0.132E+01 0.124E-01   0.251E-02 0.264E-03 0.245E-03
   -.861E+02 -.915E+01 0.324E+03   0.862E+02 0.893E+01 -.325E+03   -.122E+00 0.308E+00 0.128E+01   0.215E-02 0.771E-03 0.118E-02
   -.942E+02 -.522E+02 0.350E+03   0.944E+02 0.533E+02 -.353E+03   -.300E+00 -.109E+01 0.237E+01   0.221E-02 0.578E-03 0.763E-03
   -.905E+02 0.139E+02 0.288E+03   0.905E+02 -.140E+02 -.289E+03   0.754E-01 0.528E-02 0.150E+01   0.261E-02 0.260E-03 0.445E-03
   -.873E+02 0.888E+02 0.251E+03   0.867E+02 -.924E+02 -.253E+03   0.553E+00 0.385E+01 0.246E+01   0.296E-02 0.597E-04 -.464E-03
   -.630E+02 0.107E+03 0.906E+02   0.628E+02 -.110E+03 -.937E+02   0.736E-01 0.298E+01 0.366E+01   0.279E-02 0.717E-04 -.972E-03
   -.480E+02 0.904E+02 0.407E+02   0.485E+02 -.859E+02 -.364E+02   -.498E+00 -.475E+01 -.433E+01   0.282E-02 -.730E-03 -.425E-03
   0.155E+02 0.195E+03 -.158E+03   -.161E+02 -.197E+03 0.160E+03   0.471E+00 0.185E+01 -.203E+01   0.267E-02 -.890E-03 0.431E-03
   0.400E+02 0.152E+03 -.203E+03   -.403E+02 -.152E+03 0.205E+03   0.415E+00 0.209E+00 -.181E+01   0.264E-02 -.704E-03 0.441E-03
   -.558E+02 0.883E+02 0.173E+03   0.569E+02 -.873E+02 -.176E+03   -.107E+01 -.107E+01 0.330E+01   0.290E-02 -.552E-03 -.426E-03
   0.129E+02 0.499E+02 0.293E+01   -.140E+02 -.512E+02 -.139E+01   0.111E+01 0.149E+01 -.132E+01   0.263E-02 -.687E-03 -.114E-03
   0.309E+02 0.103E+02 -.119E+03   -.309E+02 -.105E+02 0.119E+03   0.170E-01 0.204E+00 -.978E+00   0.265E-02 -.660E-03 0.709E-04
   -.183E+01 -.443E+02 -.162E+03   0.244E+01 0.445E+02 0.162E+03   -.561E+00 -.864E-01 0.415E+00   0.249E-02 -.879E-03 0.139E-03
   -.192E+02 -.810E+02 -.215E+03   0.202E+02 0.827E+02 0.214E+03   -.104E+01 -.168E+01 0.110E+01   0.165E-02 -.595E-03 0.163E-03
   0.234E+01 -.165E+03 -.315E+03   -.295E+01 0.166E+03 0.317E+03   0.574E+00 -.705E+00 -.175E+01   0.119E-02 -.217E-04 0.410E-03
   -.825E+02 -.160E+03 -.143E+03   0.838E+02 0.161E+03 0.142E+03   -.116E+01 -.814E-01 0.149E+01   0.263E-02 -.119E-02 0.356E-03
   -.817E+02 -.266E+03 -.176E+03   0.824E+02 0.266E+03 0.176E+03   -.606E+00 -.795E+00 0.237E+00   0.199E-02 -.109E-02 0.473E-03
   -.260E+02 -.261E+03 -.267E+03   0.259E+02 0.262E+03 0.267E+03   0.194E+00 -.133E+01 -.360E+00   0.145E-02 -.166E-03 0.638E-03
   -.383E+02 -.251E+02 -.209E+03   0.443E+02 0.330E+02 0.204E+03   -.593E+01 -.777E+01 0.479E+01   0.149E-02 -.637E-03 0.441E-03
   0.102E+01 0.466E+02 0.138E+02   -.532E+01 -.550E+02 -.842E+01   0.436E+01 0.845E+01 -.529E+01   0.251E-02 -.458E-03 -.480E-03
   -.154E+03 -.139E+02 -.568E+02   0.154E+03 0.141E+02 0.583E+02   -.170E+00 -.701E-01 -.161E+01   0.538E-03 -.654E-03 -.132E-03
   -.953E+02 -.133E+03 0.132E+03   0.951E+02 0.134E+03 -.131E+03   0.207E+00 -.130E+01 -.139E+00   0.159E-03 -.579E-03 0.288E-03
   -.103E+03 -.151E+03 0.189E+03   0.103E+03 0.152E+03 -.190E+03   0.509E+00 -.166E+01 0.104E+01   0.181E-03 -.273E-03 -.378E-04
   -.253E+03 0.218E+02 -.184E+03   0.253E+03 -.232E+02 0.186E+03   -.347E+00 0.135E+01 -.234E+01   0.141E-02 -.552E-03 -.535E-03
   -.255E+03 -.496E+02 -.188E+03   0.255E+03 0.498E+02 0.189E+03   -.291E+00 -.871E-01 -.122E+01   0.173E-02 -.636E-03 -.575E-03
   -.167E+03 -.706E+02 0.756E+01   0.167E+03 0.705E+02 -.749E+01   0.312E+00 0.217E+00 -.731E-01   0.856E-03 -.451E-03 -.467E-03
   -.711E+02 -.514E+02 -.326E+02   0.719E+02 0.550E+02 0.354E+02   -.650E+00 -.396E+01 -.249E+01   -.680E-05 -.424E-03 0.200E-03
   -.513E+02 -.130E+03 0.964E+02   0.512E+02 0.133E+03 -.926E+02   0.921E-01 -.305E+01 -.357E+01   -.235E-03 -.956E-03 0.150E-02
   -.138E+03 0.494E+02 0.190E+02   0.138E+03 -.498E+02 -.190E+02   0.133E+00 0.296E+00 0.679E-01   0.644E-03 -.462E-03 -.419E-03
   -.640E+02 0.491E+02 0.220E+03   0.638E+02 -.503E+02 -.222E+03   0.219E+00 0.120E+01 0.174E+01   0.352E-03 -.394E-03 -.455E-03
   -.383E+02 0.686E+02 0.145E+03   0.381E+02 -.700E+02 -.146E+03   0.186E+00 0.145E+01 0.485E+00   0.398E-03 -.159E-03 -.873E-04
   -.179E+03 0.999E+02 -.205E+03   0.179E+03 -.101E+03 0.206E+03   -.901E-01 0.921E+00 -.875E+00   0.124E-02 -.124E-03 -.181E-03
   -.152E+03 0.555E+02 -.274E+03   0.153E+03 -.557E+02 0.277E+03   -.167E+00 0.138E+00 -.230E+01   0.112E-02 -.816E-04 -.650E-04
   -.816E+02 0.568E+02 -.114E+03   0.819E+02 -.577E+02 0.115E+03   -.341E+00 0.724E+00 -.122E+01   0.548E-03 -.915E-04 -.383E-04
   -.358E+02 0.925E+02 -.527E+02   0.358E+02 -.971E+02 0.531E+02   0.128E+00 0.464E+01 -.500E+00   0.294E-03 -.157E-03 0.706E-03
   -.140E+01 0.725E+02 0.147E+03   0.105E+01 -.768E+02 -.146E+03   0.516E+00 0.437E+01 -.195E+01   0.377E-03 -.770E-03 0.130E-02
   0.326E+02 0.381E+02 0.110E+03   -.310E+02 -.324E+02 -.112E+03   -.159E+01 -.579E+01 0.163E+01   0.486E-03 0.676E-04 -.633E-04
   -.147E+02 0.126E+03 0.263E+03   0.157E+02 -.127E+03 -.266E+03   -.101E+01 0.107E+01 0.231E+01   0.930E-03 0.293E-03 -.345E-03
   -.281E+02 0.112E+03 0.220E+03   0.290E+02 -.112E+03 -.222E+03   -.793E+00 -.381E+00 0.202E+01   0.109E-02 -.236E-05 -.418E-03
   0.597E+02 0.579E+02 -.294E+02   -.609E+02 -.581E+02 0.323E+02   0.128E+01 0.165E+00 -.302E+01   0.295E-03 0.126E-03 -.104E-03
   0.115E+02 0.175E+02 0.375E+02   -.110E+02 -.184E+02 -.395E+02   -.469E+00 0.109E+01 0.215E+01   0.536E-03 0.193E-03 -.118E-03
   -.151E+02 0.204E+01 0.774E+02   0.156E+02 -.185E+01 -.783E+02   -.488E+00 -.322E+00 0.903E+00   0.892E-03 0.308E-03 -.267E-03
   -.695E+02 -.172E+01 0.228E+02   0.694E+02 0.172E+01 -.222E+02   0.124E+00 0.316E-01 -.661E+00   0.687E-03 0.293E-03 -.107E-03
   -.126E+03 -.104E+02 0.650E+02   0.125E+03 0.111E+02 -.634E+02   0.102E+01 -.926E+00 -.155E+01   0.890E-03 -.961E-04 -.226E-04
   -.206E+03 -.632E+02 0.132E+03   0.208E+03 0.633E+02 -.136E+03   -.150E+01 -.593E-01 0.326E+01   0.457E-03 -.182E-03 0.187E-03
   -.636E+02 -.967E+02 -.119E+03   0.629E+02 0.962E+02 0.120E+03   0.676E+00 0.406E+00 -.178E+01   0.145E-03 0.632E-03 -.111E-03
   -.931E+02 -.994E+02 -.164E+03   0.922E+02 0.101E+03 0.167E+03   0.892E+00 -.124E+01 -.289E+01   0.149E-04 0.434E-03 0.183E-03
   -.154E+03 -.372E+02 0.961E+01   0.153E+03 0.312E+02 -.762E+01   0.139E+01 0.607E+01 -.202E+01   0.224E-03 0.374E-03 0.423E-03
   -.155E+03 0.143E+02 0.112E+03   0.150E+03 -.813E+01 -.104E+03   0.400E+01 -.608E+01 -.784E+01   0.109E-02 -.492E-03 -.373E-04
   -.436E+02 -.608E+01 -.213E+02   0.452E+02 -.604E+00 0.126E+02   -.175E+01 0.651E+01 0.882E+01   0.181E-03 0.534E-03 -.164E-03
   -.320E+03 -.734E+02 0.798E+02   0.320E+03 0.740E+02 -.808E+02   -.149E+00 -.567E+00 0.127E+01   0.182E-02 0.841E-03 -.953E-03
   -.317E+03 -.987E+02 -.867E+02   0.317E+03 0.100E+03 0.870E+02   -.695E-01 -.135E+01 -.581E+00   0.135E-02 0.964E-03 -.127E-02
   -.284E+03 -.877E+02 -.135E+03   0.284E+03 0.889E+02 0.137E+03   -.161E-01 -.115E+01 -.162E+01   0.158E-02 0.157E-02 -.916E-03
   -.266E+03 -.554E+02 0.174E+03   0.267E+03 0.554E+02 -.177E+03   -.234E-01 0.137E+00 0.227E+01   0.235E-02 0.932E-03 -.467E-03
   -.224E+03 -.987E+02 0.135E+03   0.224E+03 0.994E+02 -.136E+03   -.467E-01 -.854E+00 0.110E+01   0.244E-02 0.806E-03 -.469E-03
   -.240E+03 -.676E+02 -.197E+01   0.240E+03 0.676E+02 0.212E+01   0.241E-01 -.330E-01 0.156E+00   0.195E-02 0.954E-03 -.568E-03
   -.341E+03 -.107E+03 0.180E+02   0.341E+03 0.111E+03 -.187E+02   -.174E+00 -.442E+01 0.537E+00   0.175E-02 0.122E-02 -.129E-02
   -.318E+03 -.974E+02 -.506E+02   0.319E+03 0.101E+03 0.495E+02   -.646E+00 -.420E+01 0.201E+01   0.774E-03 0.140E-02 -.249E-02
   -.205E+03 0.401E+02 0.177E+02   0.205E+03 -.402E+02 -.178E+02   0.184E-01 0.132E-01 0.972E-01   0.175E-02 0.444E-03 -.340E-03
   -.233E+03 0.116E+03 -.873E+02   0.233E+03 -.118E+03 0.884E+02   -.970E-01 0.163E+01 -.114E+01   0.172E-02 0.251E-03 -.312E-03
   -.225E+03 0.125E+03 -.111E+02   0.225E+03 -.126E+03 0.110E+02   0.169E+00 0.140E+01 -.897E-01   0.166E-02 0.475E-04 -.249E-03
   -.147E+03 0.388E+02 0.133E+03   0.147E+03 -.391E+02 -.135E+03   0.323E-01 0.391E+00 0.121E+01   0.165E-02 -.195E-03 0.319E-04
   -.143E+03 -.160E+02 0.145E+03   0.143E+03 0.170E+02 -.147E+03   -.481E-01 -.101E+01 0.249E+01   0.155E-02 -.721E-03 0.590E-03
   -.194E+03 0.355E+02 0.117E+03   0.195E+03 -.360E+02 -.119E+03   -.275E-01 0.272E+00 0.146E+01   0.168E-02 -.393E-03 0.144E-03
   -.215E+03 0.946E+02 0.114E+03   0.215E+03 -.984E+02 -.117E+03   0.184E+00 0.410E+01 0.226E+01   0.168E-02 -.414E-03 -.281E-03
   -.241E+03 0.143E+03 0.514E+02   0.241E+03 -.146E+03 -.542E+02   -.132E+00 0.337E+01 0.327E+01   0.146E-02 -.105E-03 -.158E-02
   -.228E+03 0.107E+03 0.788E+02   0.228E+03 -.102E+03 -.749E+02   0.464E+00 -.492E+01 -.368E+01   0.112E-02 -.641E-03 -.199E-03
   -.108E+03 0.197E+03 0.168E+01   0.106E+03 -.198E+03 -.395E+00   0.124E+01 0.991E+00 -.133E+01   0.289E-03 0.955E-04 -.708E-04
   -.593E+02 0.115E+03 0.299E+02   0.580E+02 -.115E+03 -.281E+02   0.136E+01 -.823E-01 -.180E+01   -.329E-03 0.185E-03 -.318E-03
   -.287E+03 0.999E+02 0.182E+03   0.289E+03 -.995E+02 -.184E+03   -.183E+01 -.377E+00 0.202E+01   0.137E-02 -.597E-03 -.254E-03
   -.181E+03 0.544E+02 0.106E+03   0.180E+03 -.554E+02 -.105E+03   0.142E+01 0.124E+01 -.898E+00   0.515E-03 -.733E-03 0.684E-04
   -.117E+03 -.236E+01 0.767E+02   0.117E+03 0.223E+01 -.762E+02   0.414E+00 0.172E+00 -.497E+00   -.311E-03 -.273E-03 0.632E-04
   -.107E+03 -.609E+01 0.102E+03   0.107E+03 0.623E+01 -.103E+03   -.492E+00 -.142E+00 0.100E+01   -.573E-03 -.268E-03 -.594E-04
   -.571E+02 -.408E+02 0.602E+02   0.584E+02 0.425E+02 -.616E+02   -.118E+01 -.180E+01 0.134E+01   -.677E-03 0.263E-03 -.217E-03
   0.160E+02 -.568E+02 -.369E+02   -.178E+02 0.565E+02 0.392E+02   0.180E+01 0.260E+00 -.235E+01   -.575E-03 0.374E-03 0.601E-04
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   0.382E+03 -.113E+03 -.593E+03   -.415E+03 0.129E+03 0.628E+03   0.331E+02 -.169E+02 -.352E+02   0.505E-02 -.224E-02 -.110E-02
   -.243E+02 -.370E+03 -.860E+02   0.576E+02 0.410E+03 0.741E+02   -.332E+02 -.401E+02 0.119E+02   0.326E-02 -.264E-02 -.133E-02
   0.239E+03 0.135E+03 0.183E+03   -.268E+03 -.140E+03 -.228E+03   0.293E+02 0.562E+01 0.451E+02   0.559E-02 -.245E-02 -.583E-03
   -.277E+03 -.195E+03 -.369E+03   0.319E+03 0.204E+03 0.401E+03   -.417E+02 -.831E+01 -.322E+02   -.227E-02 0.244E-02 -.564E-02
   0.188E+03 0.332E+03 -.238E+03   -.200E+03 -.382E+03 0.253E+03   0.112E+02 0.498E+02 -.144E+02   -.151E-02 0.403E-02 -.733E-02
   -.624E+02 -.105E+03 0.156E+03   0.824E+02 0.103E+03 -.205E+03   -.202E+02 0.255E+01 0.485E+02   -.440E-02 0.216E-02 -.181E-02
   -.161E+03 -.454E+03 0.324E+03   0.172E+03 0.494E+03 -.358E+03   -.110E+02 -.398E+02 0.335E+02   -.433E-02 -.275E-03 0.286E-04
   0.796E+02 -.401E+03 -.276E+03   -.909E+02 0.421E+03 0.321E+03   0.114E+02 -.204E+02 -.450E+02   -.212E-02 -.309E-02 -.773E-03
   -.319E+03 -.858E+02 0.110E+03   0.366E+03 0.602E+02 -.103E+03   -.467E+02 0.257E+02 -.744E+01   -.356E-02 0.572E-03 -.502E-03
   0.165E+03 -.282E+03 0.725E+03   -.175E+03 0.315E+03 -.765E+03   0.935E+01 -.329E+02 0.403E+02   0.172E-03 -.815E-03 0.107E-02
   -.668E+02 0.182E+03 0.420E+03   0.108E+03 -.211E+03 -.436E+03   -.412E+02 0.293E+02 0.155E+02   -.153E-02 -.148E-02 0.338E-02
   0.332E+03 0.319E+03 0.469E+03   -.375E+03 -.350E+03 -.470E+03   0.419E+02 0.309E+02 0.161E+01   0.209E-02 -.629E-03 0.212E-03
 -----------------------------------------------------------------------------------------------
   0.504E+02 0.394E+01 -.355E+02   -.273E-10 -.296E-11 -.887E-11   -.504E+02 -.391E+01 0.355E+02   -.387E-02 -.398E-01 -.183E-01
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
     13.24859      3.16098      1.34970         0.053165      0.151898      0.070782
     12.99944      3.60467      2.64884         0.062960     -0.108642     -0.260940
     12.91804      4.96644      2.93784         0.029530     -0.046543      0.062990
     13.34312      4.06200      0.29774        -0.032491      0.040210      0.016933
     13.24541      5.42747      0.58286        -0.027252     -0.002775      0.071673
     13.08421      5.92331      1.89979        -0.020663      0.032870      0.101154
     13.35650      1.68601      1.34136        -0.004281     -0.125482     -0.061135
     12.83562      2.39067      3.51080        -0.116577     -0.047603      0.124638
     13.13864      7.39802      2.19285         0.057897     -0.039271      0.067272
     13.11930      7.88654      3.52534         0.014551     -0.030779      0.037210
     13.32160      9.24080      3.77005         0.093893      0.137246     -0.200507
     13.30635      8.35528      1.15881         0.009744      0.093780      0.087961
     13.50806      9.71889      1.40707        -0.022457     -0.021360      0.144335
     13.52694     10.14330      2.73145         0.099839     -0.148903     -0.089307
     13.77433     11.49113      3.28962        -0.059783      0.186744     -0.133040
     13.40194      9.99670      5.05056        -0.125491     -0.120722      0.624281
     13.73199     12.46455      5.63909         0.034634     -0.207322      0.048559
     13.49233     12.29854      7.00370        -0.051221     -0.097175      0.180156
     13.57207     13.38444      7.87129         0.078809     -0.001981      0.155694
     14.08844     13.74762      5.21778         0.008901     -0.111413      0.064830
     14.17154     14.83476      6.09046        -0.004734      0.179820      0.222902
     13.88420     14.70495      7.49310         0.019073     -0.071217     -0.163948
     13.94730     15.81923      8.51020         0.046763      0.125822      0.002558
     13.19064     15.92583      9.72574        -0.020239      0.079076      0.035527
     13.23470     17.10128     10.49449        -0.038928      0.078330     -0.024240
     14.81635     16.90682      8.27016         0.126091      0.044215      0.068249
     14.82819     18.08615      9.01728         0.067927     -0.098568      0.010818
     14.00198     18.20341     10.12855         0.080391     -0.169271     -0.074643
     12.34871     14.83092     10.34506         0.057359      0.091889     -0.063694
     14.72301     16.06454      5.38776         0.058963      0.065234      0.101737
      9.93046      3.83225      4.62362        -0.004032      0.133431     -0.135106
      9.70041      4.75119      3.59547         0.049426     -0.126443      0.085078
      9.70039      6.13489      3.84751         0.014435     -0.066103     -0.073718
     10.29002      4.28244      5.89433         0.025063     -0.081427     -0.008495
     10.38345      5.65843      6.11682        -0.041261      0.075115     -0.154152
     10.04338      6.62871      5.13529         0.000658      0.090436     -0.004980
      9.76224      2.44424      4.09352         0.079647     -0.338181      0.289965
      9.55143      3.96202      2.31188         0.046578      0.011231      0.245185
     10.07327      8.10417      5.49459         0.039742     -0.024532      0.066565
     10.06526      9.15485      4.53638         0.009150     -0.005074     -0.021035
     10.14422     10.48865      4.95322         0.011737      0.107872      0.148581
     10.13447      8.50172      6.85909         0.021463      0.009635     -0.129875
     10.21579      9.83785      7.27595         0.011579     -0.074692     -0.133216
     10.22110     10.83382      6.30387        -0.076364     -0.169431     -0.016602
     10.28547     12.31254      6.44080         0.114911      0.015329     -0.063263
     10.20941     11.76300      4.16499         0.169979      0.061525     -0.306302
     10.69234     14.21272      4.78946         0.051537     -0.111144     -0.131176
     11.23772     14.55639      3.54976        -0.015241     -0.102970     -0.178535
     11.61827     15.86663      3.27323         0.087169      0.156574     -0.016535
     10.55783     15.26833      5.70615        -0.007973     -0.002189     -0.117789
     10.98434     16.58643      5.43277         0.050049      0.143797      0.222564
     11.56519     16.96771      4.15717        -0.001216     -0.136563      0.027641
     12.08150     18.33829      3.70176         0.032275      0.035817     -0.087642
     12.70949     18.72559      2.44387         0.143082     -0.205782     -0.028287
     12.98826     20.06954      2.15167         0.091305      0.064437      0.152585
     11.92722     19.44818      4.55843        -0.056424     -0.056974     -0.096757
     12.22631     20.77671      4.28119         0.002458      0.174287      0.041975
     12.73819     21.13273      3.03439         0.025685      0.077438     -0.025409
     13.25873     17.81808      1.32446        -0.184360      0.055582     -0.006289
     10.77545     17.50576      6.64174        -0.086827     -0.177984      0.036585
     10.72091      7.05663     14.93246         0.026341      0.054526      0.238830
     10.67989      7.48739     16.26235        -0.067209     -0.038645     -0.215340
     10.69528      8.85537     16.56598        -0.035679      0.065620      0.038972
     10.73407      7.96739     13.88854         0.039449      0.142355     -0.037170
     10.72502      9.33094     14.18974        -0.010598     -0.167270      0.064863
     10.72954      9.81997     15.51312        -0.005345      0.012261      0.305913
     10.65834      5.57803     14.88180         0.017194     -0.076583     -0.170715
     10.52215      6.25410     17.11650        -0.109938     -0.307265      0.837958
     10.75429     11.31129     15.75100         0.016512     -0.079809      0.075432
     10.82593     11.89247     17.04676        -0.028840      0.022116      0.013691
     10.86786     13.28176     17.17842         0.070825      0.041928     -0.212475
     10.72347     12.20203     14.64720         0.016116      0.081858      0.013900
     10.80742     13.59184     14.77922        -0.018306      0.015987     -0.071946
     10.88215     14.11884     16.06093         0.037926     -0.190881     -0.051629
     10.95369     15.52974     16.49480        -0.049036      0.321077     -0.123661
     10.89456     14.15592     18.38992        -0.014526     -0.092430      0.535251
     10.84151     16.68893     18.73021        -0.133438      0.010645      0.157426
     10.05775     16.70768     19.87507        -0.069587     -0.221978     -0.051331
      9.84426     17.88750     20.57803         0.016041      0.060424      0.014568
     11.46724     17.89453     18.40393         0.047997     -0.043690     -0.013359
     11.30973     19.07001     19.16262         0.159226      0.196115      0.051326
     10.42614     19.14257     20.31729         0.045193      0.039820     -0.055655
     10.08460     20.33860     -0.01285        -0.021172     -0.006504      0.220742
      9.34818     20.30632      1.24570         0.093257     -0.079505     -0.128155
      9.16750      0.18640      2.05758         0.031486     -0.068556     -0.078478
     10.49775      0.39913     20.95102        -0.010579     -0.039948     -0.090550
     10.33872      1.52295      0.51425         0.058124      0.039492     -0.063442
      9.69699      1.44315      1.74945        -0.016458      0.256736      0.078283
      8.69532     19.08853      1.87558         0.069947     -0.070966      0.095434
     12.23791     20.17279     18.66164        -0.075704      0.038534      0.131640
      7.35152      7.68589     17.23438         0.014914      0.103074     -0.049796
      7.10185      8.59807     16.20710         0.110883     -0.110087      0.024516
      7.05709      9.97571     16.47367         0.053220      0.000872     -0.051648
      7.69376      8.11952     18.51025         0.042785      0.016781     -0.060173
      7.72308      9.49386     18.75168        -0.050282      0.108408     -0.092353
      7.34524     10.46207     17.78299        -0.002366      0.079931     -0.140538
      7.27297      6.30473     16.70585         0.081483     -0.319788      0.084243
      7.03641      7.79682     14.91947         0.165278      0.050666     -0.042528
      7.29313     11.93182     18.17103        -0.018691      0.016549      0.004186
      7.06600     13.00636     17.26050         0.023302      0.055431     -0.096780
      7.07686     14.33460     17.71221         0.043209      0.073518      0.155837
      7.48460     12.29774     19.53024        -0.052570      0.074944     -0.091221
      7.43955     13.61870     19.99202        -0.061192      0.033759     -0.074482
      7.23065     14.64172     19.06834        -0.034370     -0.110436     -0.100383
      7.16728     16.12322     19.25057         0.056470     -0.171045     -0.228718
      7.01253     15.64781     16.96573         0.035012     -0.027882     -0.324285
      7.51628     18.08301     17.65755         0.161702     -0.114275     -0.081935
      8.42209     18.41384     16.64859         0.026464     -0.025498     -0.008521
      8.88189     19.71948     16.49156         0.124179      0.182103     -0.015355
      7.04675     19.15784     18.41992         0.009892      0.086562     -0.098681
      7.46309     20.49907     18.21347        -0.005010      0.065393      0.161121
      8.47408     20.85228     17.23318         0.076805     -0.038313     -0.013537
      9.10716      0.97685     16.92727        -0.146263      0.181356      0.068159
      9.93678      1.39010     15.81637         0.051807     -0.093583     -0.198440
     10.39954      2.71181     15.66083         0.073202     -0.150400     -0.144917
      8.86956      2.07319     17.78365         0.085457     -0.221169      0.254428
      9.30678      3.38811     17.62013        -0.086697     -0.010992      0.075525
     10.06743      3.76069     16.51958         0.162860     -0.015081      0.043291
     10.47015      0.53665     14.67769         0.211890     -0.381481     -0.037018
      6.72104      0.21330     19.13125        -0.061550     -0.053936      0.029074
      6.84974     10.80056      6.38150         0.009740      0.122581      0.137986
      6.90124     11.26315      7.69587         0.033694     -0.005991     -0.100730
      6.95842     12.63582      7.99030         0.062512      0.024414      0.002617
      6.86087     11.71243      5.32723        -0.015531      0.044384      0.042477
      6.90670     13.08343      5.62089        -0.033592     -0.113924      0.095160
      6.95096     13.60379      6.94060         0.059396      0.004282      0.128584
      6.85286      9.30972      6.38005        -0.071429     -0.261106     -0.141480
      6.91924     10.05350      8.59230         0.005330     -0.064586      0.134152
      7.01708     15.11177      7.16988         0.100537     -0.132218      0.181537
      7.19256     15.70879      8.45364         0.064495     -0.038064     -0.061085
      7.28911     17.10253      8.57443        -0.002476      0.133403     -0.076968
      6.97209     16.00850      6.06882         0.038653      0.024652      0.081626
      7.06286     17.40034      6.19313         0.024769     -0.082574      0.021790
      7.19882     17.94305      7.46608        -0.035567     -0.137839     -0.025491
      7.34096     19.36414      7.88865         0.012364      0.358403     -0.199384
      7.56870     17.97764      9.76453         0.123119     -0.120615      0.356215
      7.80415     20.49693     10.13798        -0.064954     -0.066324     -0.124876
      7.25887     20.49081     11.41538        -0.056745     -0.071751      0.098630
      7.23070      0.38162     12.19217        -0.116017      0.184229      0.187495
      8.47953      0.41326      9.78094        -0.008308     -0.070127     -0.098540
      8.59220      1.52616     10.64467         0.054342      0.134532      0.022955
      7.85694      1.60956     11.88557        -0.182068     -0.209464     -0.034206
      7.63195      2.81341     12.79856        -0.130797      0.154640      0.265873
      7.00149      2.81904     14.10879        -0.040064     -0.050733     -0.071543
      6.79965      4.01476     14.82098         0.094967     -0.020810     -0.069037
      7.96917      4.12523     12.37600        -0.023125     -0.239174      0.004639
      7.84487      5.29669     13.13416         0.020187     -0.032127     -0.053658
      7.26500      5.26267     14.40151         0.003472      0.220949      0.078352
      6.36431      1.66048     14.88755         0.046001     -0.102283     -0.310436
      9.63520      2.53255     10.17643         0.101744     -0.117671     -0.208902
      4.29604     11.59210     10.22196        -0.004016      0.009717      0.055321
      4.09770     12.45816      9.14993        -0.000123     -0.229670      0.036146
      4.30837     13.83264      9.29875        -0.068653     -0.022182     -0.002301
      4.77974     12.05930     11.44328        -0.049319      0.020614     -0.130049
      4.88751     13.44110     11.61703        -0.012002     -0.122422     -0.127599
      4.60015     14.36586     10.58336        -0.088002      0.043967     -0.138281
      3.87290     10.22133      9.85245        -0.030921     -0.043895     -0.048115
      3.62459     11.62156      7.98452        -0.047835      0.005139     -0.356321
      4.54014     15.84227     10.87233         0.014905     -0.051158     -0.042749
      4.08308     16.78365      9.90675         0.023367      0.109913     -0.010554
      4.04008     18.14554     10.23287         0.004254     -0.033500     -0.037149
      4.91201     16.33590     12.14904        -0.028345      0.023350     -0.030880
      4.77230     17.67739     12.50416        -0.042367     -0.079423     -0.112935
      4.33027     18.56229     11.53076         0.036595     -0.130998     -0.021000
      4.22050     20.02486     11.61962         0.043665      0.073546      0.076074
      3.82955     19.39421      9.39691         0.297609     -0.255738      0.936494
      4.41174      0.60558      9.93794        -0.038800     -0.085435      0.120335
      4.99859      0.96133      8.72331         0.067703     -0.107477     -0.034014
      5.55074      2.23130      8.57083         0.208838     -0.040695     -0.075796
      4.28405      1.64848     10.85977        -0.003718     -0.059342     -0.143327
      4.72507      2.97450     10.63581         0.034217      0.161315      0.030434
      5.49904      3.33073      9.46828        -0.005707     -0.020999      0.035092
      6.11489      4.69342      9.06417        -0.001677      0.211074     -0.172948
      6.56081      5.07214      7.73395        -0.106716     -0.279670      0.089306
      6.79259      6.40506      7.35839        -0.012630      0.083124     -0.086113
      6.17027      5.81430      9.94190        -0.112323     -0.244388      0.037539
      6.37477      7.15171      9.56369         0.143005      0.183889      0.011378
      6.64661      7.50067      8.22626         0.042402      0.137470      0.020126
      6.81701      4.10871      6.57900        -0.108890      0.119246     -0.238358
      4.04352      3.79837     11.72565         0.078003      0.033389      0.192096
      0.74409     14.03179      1.11211        -0.155740      0.308975      0.004004
      1.49745     14.47632      2.19907        -0.083009     -0.083275     -0.061545
      1.54020     15.87069      2.49065        -0.004768     -0.063971     -0.075851
      0.11505     14.91178      0.24058         0.094583     -0.038571      0.125160
      0.25130     16.27563      0.47188         0.033645     -0.112540     -0.083999
      0.91671     16.81610      1.59708         0.115973     -0.049247      0.347636
      0.69570     12.56380      1.05136        -0.014088     -0.273057     -0.153710
      2.12209     13.18898      2.79087         0.286028      0.075532      0.331096
      0.89416     18.34547      1.74372         0.004239     -0.076055     -0.002556
      1.35921     19.09570      2.86400         0.094712     -0.043830      0.134569
      1.25791     20.50330      2.86849        -0.116836      0.132790     -0.273045
      0.35699     19.11090      0.66849         0.123939     -0.028812      0.157493
      0.22547     20.49705      0.68554         0.011728      0.050650     -0.012974
      0.67367     -0.06765      1.79906         0.049266     -0.137125      0.225111
      0.63245      1.39400      2.06876        -0.163441      0.238223     -0.130464
      1.72188      0.29772      3.84094         0.199407     -0.046085      0.211686
      1.34328      2.85778      4.04630        -0.080525      0.151692     -0.050438
      2.07678      2.96919      5.23356         0.219919     -0.023718      0.065253
      2.23240      4.18773      5.89755         0.040737     -0.037478     -0.048869
      0.68258      4.04803      3.64881         0.175912     -0.126597      0.207589
      0.75455      5.23773      4.40931         0.143646      0.231099      0.118793
      1.60952      5.41172      5.55692         0.081561     -0.142769     -0.091923
      1.95862      6.69518      6.34299         0.034292      0.254538     -0.129080
      2.38747      6.73486      7.71183        -0.059457     -0.195887     -0.191946
      2.84090      7.89180      8.34569         0.084143      0.130985      0.094344
      2.01756      8.00181      5.75695        -0.032883     -0.316158      0.116005
      2.48290      9.16662      6.39515         0.002193      0.084973     -0.073893
      2.92607      9.14103      7.73075         0.125117      0.161092     -0.125992
      2.55956      5.54574      8.61951         0.114380      0.085414      0.167567
     -0.09036      6.36590      3.86805         0.292912     -0.046929     -0.374371
      4.46693     14.20872      0.56383        -0.012752      0.027085     -0.211871
      3.89458     15.13312     -0.31158         0.011568     -0.007474      0.052001
      3.95922     16.51552     -0.06421        -0.066970      0.153697      0.028957
      5.08722     14.65690      1.72401         0.002724      0.228838      0.053481
      5.09759     16.03229      2.00103        -0.099204      0.056945     -0.209019
      4.54762     17.02229      1.14067        -0.194118      0.196135     -0.225430
      4.27143     12.82851      0.02456        -0.082644     -0.011334     -0.025383
      3.22008     14.34384     19.84913        -0.356340      0.023607     -0.223730
      4.58307     18.51205      1.55597        -0.074344      0.136512     -0.098535
      4.14797     19.64101      0.77336        -0.011501     -0.148598      0.073670
      4.27850     20.95834      1.27527         0.040336     -0.286946      0.053402
      5.07800     18.83921      2.84705        -0.059407      0.059465     -0.054182
      5.24654     20.14628      3.32675         0.062861     -0.339492      0.005271
      4.87748     21.20260      2.51217        -0.028506     -0.154610     -0.169637
      5.02540      1.40140      2.73122         0.235083      0.405241      0.349828
      3.84512      1.04284      0.74192         0.015270      0.052188     -0.046910
      4.06073      3.47478      1.60394        -0.032752      0.251659     -0.066265
      3.26307      4.04536      0.60149        -0.265547      0.140342     -0.137350
      2.97502      5.41915      0.57867         0.087237     -0.269678     -0.122509
      4.56891      4.40076      2.53391         0.022129     -0.077179      0.188517
      4.19788      5.76256      2.56194         0.022953      0.196105     -0.071502
      3.36602      6.35949      1.56068         0.072713      0.211238     -0.064796
      2.92906      7.83540      1.53079        -0.013669     -0.008520     -0.019638
      1.66445      8.35416      1.10091        -0.332197      0.156330      0.214174
      1.27201      9.68464      1.36976        -0.175249     -0.204679     -0.254751
      3.76828      8.86215      2.02798        -0.040057      0.104065     -0.156115
      3.40109     10.20312      2.24530         0.286046     -0.047957      0.108896
      2.10697     10.65576      1.94770        -0.019148      0.230075     -0.227150
      0.62384      7.57820      0.29205        -0.098747      0.077170     -0.261298
      4.85680      6.47080      3.73842         0.078152     -0.032420     -0.120062
     18.02053     17.32021     13.99135        -0.078638      0.036768      0.034569
     18.96502     17.78863     14.90531        -0.161289     -0.182519     -0.129289
     19.16700     19.15681     15.10983        -0.045383      0.087069      0.053741
     17.32993     18.21593     13.17902         0.070883     -0.026320      0.057817
     17.59782     19.58137     13.32259         0.040854      0.015781      0.157363
     18.46264     20.10742     14.31920         0.032323      0.163757     -0.003127
     17.99340     15.82684     14.01515         0.142925      0.144188      0.033148
     19.68008     16.58986     15.45354         0.514893     -0.115124      0.250893
     18.60319      0.35471     14.49499        -0.039908     -0.069036      0.109771
     19.44199      0.95043     15.47855        -0.076290      0.007320     -0.033599
     19.48467      2.34073     15.62449        -0.068941      0.103027     -0.118170
     17.84322      1.25379     13.69701         0.053156     -0.061828      0.086245
     17.88514      2.64697     13.84680         0.031026     -0.046032      0.041794
     18.71476      3.18873     14.82790        -0.049604     -0.128996     -0.001291
     18.95130      4.60528     15.23686        -0.092509      0.130477      0.028861
     20.28946      3.19720     16.55579         0.071156      0.063475      0.204529
     20.49235      5.73993     16.92877        -0.036845      0.036748     -0.088155
      0.57870      5.75122     17.29215         0.004262      0.157973      0.070314
      1.21102      6.92918     17.69310        -0.067580      0.068952      0.048600
     19.79828      6.93685     17.16347         0.323047     -0.027193     -0.008093
     20.41048      8.08851     17.72376        -0.241012     -0.064087      0.011348
      0.57168      8.15895     17.97332         0.053103     -0.064415     -0.207802
      1.39568      9.34233     18.50275         0.460810      0.012805      0.206060
      2.76238      9.35284     19.02758        -0.191966      0.015150     -0.102109
      3.35071     10.55303     19.47688         0.305971     -0.069773      0.022302
      0.83710     10.63829     18.52442        -0.178568     -0.063779     -0.302265
      1.42668     11.80574     19.01397        -0.331221      0.658181      0.132981
      2.71346     11.79577     19.54176         0.351496     -0.020528      0.024782
      3.86965      8.27543     19.05226        -0.187356      0.158012     -0.111073
     19.37675      9.17228     18.03598         0.151081      0.149123      0.274218
      1.64135     18.36628     14.16029         0.138785     -0.009619     -0.045455
      0.97232     19.26626     13.32701         0.048038     -0.213504      0.102295
      1.03786     20.63712     13.53940        -0.025363      0.039865      0.064308
      2.39462     18.81857     15.24444        -0.216370     -0.138719     -0.097073
      2.43740     20.19483     15.47168        -0.148253     -0.077049     -0.117468
      1.77674     21.13281     14.64076        -0.000891      0.036381      0.046904
      1.39810     16.98410     13.67492        -0.044643      0.130609      0.094000
      0.22010     18.47714     12.30761        -0.545268      0.083827     -0.551647
      1.91543      1.33521     14.91278        -0.018361     -0.117270      0.149935
      1.40132      2.31414     14.03647         0.116885      0.198630      0.060279
      1.68155      3.65430     14.28142        -0.138754      0.095400      0.098977
      2.58190      1.78740     16.08035        -0.102536     -0.065090     -0.164200
      2.92506      3.12080     16.27764         0.053188     -0.000150      0.013317
      2.51010      4.04779     15.33077        -0.071436     -0.190371     -0.069729
      2.70863      5.50715     15.26872         0.550774      0.424197      0.312678
      1.15701      4.88675     13.61692         0.911725     -0.119024      0.957467
      1.39123      7.35356     14.20839        -0.009770     -0.221459      0.045332
      0.06286      7.64853     13.93759        -0.162822     -0.116113     -0.105922
     20.86073      8.94555     14.08486         0.007028      0.103587      0.064258
      2.22992      8.42447     14.53187        -0.163046      0.092343     -0.093346
      1.76101      9.74700     14.63776         0.008792      0.311927      0.113266
      0.35393     10.07785     14.46522        -0.072217     -0.091858     -0.000779
     20.86780     11.41111     14.62527        -0.122191     -0.057551     -0.013671
     19.46249     11.68552     14.32981        -0.099478     -0.310795      0.025528
     18.92804     12.97757     14.43682         0.029035      0.021578      0.151335
      0.27661     12.56250     15.10374         0.010510     -0.039555     -0.096799
     -0.25806     13.84955     15.18911         0.053493      0.106108      0.164566
     19.67114     14.09120     14.83911         0.168161      0.325168      0.010667
     18.34011     10.68302     13.97631        -0.002418      0.038989      0.001338
      2.87986     10.71749     15.01570         0.077163     -0.101775      0.112730
     16.47260      0.43875      5.28266        -0.015457      0.102836      0.122064
     16.95792      0.76836      6.54884        -0.073682     -0.034075     -0.166094
     16.81195      2.07355      7.05720         0.012692     -0.021307      0.010434
     15.87802      1.38623      4.47217         0.039251     -0.103635      0.026253
     15.77592      2.68388      4.95687        -0.002388     -0.008952      0.094297
     16.21633      3.08618      6.24272         0.082771      0.122372      0.106784
     16.79517     20.30183      4.93832         0.032072     -0.133818     -0.070438
     17.70590     20.81178      7.04093         0.072509     -0.122265      0.242992
     16.16170      4.57900      6.56669         0.041652     -0.015228      0.084680
     16.58143      5.21123      7.77769        -0.062206      0.028896     -0.047895
     16.63166      6.61913      7.85144        -0.135273      0.142492     -0.146755
     15.73986      5.45267      5.52838        -0.010036      0.072906      0.122520
     15.81306      6.84239      5.59321        -0.016598      0.066921      0.127187
     16.27205      7.42512      6.76945        -0.094097     -0.105054      0.019160
     16.49869      8.86143      7.08671        -0.111824      0.118380     -0.048845
     17.13124      7.54853      8.92657         0.144762     -0.125674      0.528520
     17.59536     10.08730      9.03197        -0.037285     -0.108256      0.018271
     18.60321      9.99717      9.98961         0.016042     -0.025851      0.128202
     19.22167     11.13653     10.50794        -0.011719      0.115518      0.075639
     17.20536     11.39635      8.70395        -0.028295      0.015926      0.032860
     17.84060     12.53983      9.23346         0.158767      0.167861      0.089115
     18.93847     12.46945     10.17089        -0.057938     -0.047203     -0.135163
     19.74308     13.61994     10.80979        -0.055586     -0.097103      0.045455
     21.08483     13.58636     11.34848        -0.083519     -0.022917     -0.060550
      0.42975     14.72911     11.90031         0.022725      0.061599     -0.044139
     19.14909     14.89271     10.97002        -0.040222      0.135179      0.025167
     19.77543     16.03628     11.48068        -0.270361      0.059470     -0.096351
     21.07754     15.97340     11.97017        -0.187858      0.246091     -0.012192
      0.87819     12.48929     11.28406         0.099719     -0.071828      0.061784
     17.19336     13.82399      8.77077        -0.081925     -0.051655      0.033444
     20.22120      1.57838      6.29505        -0.057689      0.021654     -0.091318
     19.61331      2.59023      5.54187        -0.000531     -0.072998     -0.017967
     19.45201      3.86956      6.02933        -0.014987     -0.022667     -0.004980
     20.66996      1.83414      7.58437        -0.040491      0.079845     -0.095769
     20.52051      3.13583      8.07852        -0.143349     -0.113710     -0.166902
     19.93107      4.18149      7.32142        -0.054649      0.077371      0.095936
     20.26674      0.34568      5.46635        -0.002753     -0.023352     -0.193831
     19.23484      2.04465      4.20544        -0.197208      0.021316     -0.332972
     19.92757      5.59958      7.77773         0.052006      0.064127      0.160829
     19.46993      6.61778      6.91755        -0.007150      0.021605     -0.000782
     19.79588      7.94003      7.18623         0.012564      0.153742     -0.120964
     -0.78467      6.00761      9.02188        -0.080027     -0.006202     -0.106342
     -0.48879      7.34162      9.30435        -0.028240     -0.017131     -0.098580
     20.51758      8.29198      8.31526         0.055676      0.081658      0.089333
     -0.32979      9.71679      8.19836        -1.207108     -0.950013     -1.113505
     19.57239      9.16343      6.34906         0.758096     -0.079928      1.162236
     20.25841     11.61256      6.62434        -0.134910     -0.254752      0.014516
     19.26398     12.05190      5.73981        -0.242858     -0.054613     -0.062957
     19.10068     13.40349      5.46679        -0.098237      0.055599      0.045547
     21.14499     12.58826      7.11991        -0.120402      0.027709     -0.101957
     20.98897     13.94932      6.80908        -0.026907      0.182194     -0.000833
     19.89820     14.42931      6.01759        -0.013253     -0.067180      0.032825
     19.45977     15.86169      5.87468         0.000791      0.069841     -0.134720
     18.81205     16.43811      4.73502         0.006000     -0.116163      0.003455
     18.23641     17.71280      4.79661         0.010821      0.079236     -0.004050
     19.54497     16.73175      6.98788        -0.028496     -0.020629     -0.062255
     19.02701     18.02355      7.03059        -0.070216      0.081286      0.074150
     18.30220     18.53103      5.94383        -0.083277     -0.036239     -0.085308
     18.60469     15.73209      3.39515         0.054651      0.121878      0.025886
      0.81017     14.87479      7.34275        -0.117390     -0.115643     -0.079751
     12.70412      5.27570      3.95930         0.049797      0.014985      0.088449
     13.45752      3.70149     20.53506         0.092177      0.044910     -0.073020
     13.28494      6.12121     21.00447         0.081199      0.030223     -0.035363
     12.95646      7.22743      4.37515         0.042995     -0.090678      0.044864
     13.29185      8.03899      0.12120         0.029394     -0.097786     -0.155301
     13.66247     10.44634      0.60736        -0.031295     -0.124866     -0.077242
     13.44667     13.14916      8.92394        -0.026021      0.043391     -0.122750
     13.25102     11.31363      7.39477         0.042996      0.027857      0.070835
     14.31411     13.90275      4.17805         0.073843      0.043357     -0.276094
     12.62544     17.16473     11.39545         0.038168     -0.045205     -0.030518
     15.54898     16.83337      7.47379        -0.123234     -0.006637      0.111385
     15.48873     18.91285      8.72496        -0.036016     -0.210053      0.044761
      9.41991      6.82286      3.05362         0.010239      0.064883     -0.164095
     10.49918      3.58563      6.70855         0.035474     -0.027093     -0.103448
     10.73371      5.98749      7.09328        -0.020213     -0.019169      0.071627
     10.01733      8.94211      3.47118        -0.005673     -0.052681     -0.145594
     10.10367      7.74068      7.63668         0.010507     -0.036075      0.030807
     10.29289     10.08736      8.33554        -0.067781     -0.007570      0.006895
     12.00372     16.02283      2.27976         0.043391     -0.065020     -0.047175
     11.38812     13.79804      2.78302        -0.028966      0.079897     -0.024756
     10.13256     15.04446      6.67630         0.056232      0.060915      0.083267
     13.45711     20.30190      1.20717         0.016311      0.003765     -0.120892
     11.52299     19.31045      5.54029        -0.075519      0.029020      0.017531
     12.01601      0.27038      5.03496         0.018317     -0.036671      0.036392
     10.61822      9.17987     17.60589         0.090157     -0.063919     -0.011192
     10.72275      7.63535     12.85409         0.032150     -0.095193     -0.136894
     10.68407     10.03038     13.36030         0.089657     -0.028468     -0.102185
     10.83760     11.28333     17.95031         0.016988     -0.077313      0.015902
     10.63029     11.81479     13.63415         0.049861      0.003142      0.011037
     10.80979     14.25150     13.90478        -0.014032     -0.130058      0.063633
      9.13607     17.77264      0.11311        -0.035449     -0.005225      0.021374
      9.56629     15.79497     20.21111         0.065527      0.102882      0.066947
     12.11157     17.92288     17.53132         0.015795      0.054068      0.007418
      8.60498      0.05738      2.97078        -0.001561      0.107543      0.184414
     10.97546      0.61242     20.00588         0.108371     -0.084916     -0.029074
     10.75267      2.46923      0.17914        -0.058350      0.111641     -0.140875
      6.81276     10.66852     15.66962        -0.023309      0.026896     -0.077701
      7.98312      7.40817     19.28541        -0.061637     -0.000753      0.000268
      8.06684      9.81962     19.73142        -0.078852     -0.033741      0.060429
      6.89432     12.83084     16.19885         0.062999     -0.100367     -0.086259
      7.66449     11.52669     20.27613        -0.043624      0.017294      0.034989
      7.58530     13.82996     -0.20511        -0.014614      0.014063     -0.057416
      9.63032     19.83298     15.71957         0.036292     -0.054629      0.137032
      8.83222     17.65836     15.98725         0.067000     -0.149352     -0.055683
      6.33105     18.95187     19.20625        -0.048958      0.049935      0.089714
     11.00426      2.91673     14.78504        -0.026136      0.084768      0.103624
      8.31194      1.92232     18.69223        -0.050677      0.014823     -0.019756
      8.96434      4.12054     18.33034         0.056450      0.205871      0.361004
      7.00136     12.94421      9.03459         0.074997      0.012319      0.029637
      6.84856     11.37550      4.28895        -0.035834     -0.024740      0.016950
      6.92520     13.76847      4.77470        -0.018439     -0.025312     -0.025027
      7.28682     15.10081      9.35243         0.026377     -0.068120      0.033202
      6.91127     15.60922      5.06065        -0.059162     -0.031527     -0.105956
      7.11800     18.04480      5.31182        -0.145898     -0.070872      0.031865
      6.63894      0.27456     13.09093         0.096523      0.069068     -0.182670
      6.81787     19.58342     11.80963        -0.105299     -0.061597      0.069673
      8.94193      0.48221      8.80224         0.181231     -0.063097     -0.069316
      6.26685      3.95694     15.75726         0.038182      0.080023      0.124078
      8.35455      4.26817     11.37507         0.105573     -0.013217     -0.018504
      8.22873      6.22700     12.72756        -0.063160      0.119385     -0.135586
      4.25908     14.48615      8.43265        -0.258837      0.042523     -0.075207
      5.02310     11.36881     12.25161        -0.084869      0.001400      0.001735
      5.16997     13.80482     12.60011         0.022600      0.015489      0.123242
      3.77933     16.45060      8.91502         0.011385      0.049454     -0.079300
      5.34128     15.67706     12.90066        -0.038307     -0.091408      0.008543
      5.05588     18.03848     13.49278        -0.003365     -0.063654      0.050198
      6.10680      2.30271      7.65599        -0.045579      0.025856      0.068089
      5.10734      0.25011      7.90293         0.030888      0.043638      0.098019
      3.80198      1.41863     11.80141        -0.099508      0.088500      0.066001
      7.05627      6.58436      6.32391         0.055965      0.100517     -0.021809
      6.00871      5.65924     11.00798        -0.050505      0.003434     -0.224905
      6.30724      7.93369     10.32136         0.041198     -0.158907      0.056021
      2.04027     16.23461      3.39516         0.042226     -0.123771     -0.119659
     -0.45289     14.53881     20.64769        -0.031242     -0.006420     -0.019365
     -0.17970     16.93161     20.98125        -0.165617     -0.030698      0.061994
      1.80034     18.58950      3.72707        -0.040275      0.060030     -0.001158
      0.03461     18.61976     21.01800        -0.074977     -0.043655     -0.097038
     -0.20479     -0.22857     21.09893        -0.031089      0.031521     -0.096345
      2.92856      4.13496      6.72114        -0.022150      0.077745     -0.129233
      2.57371      2.09380      5.64715         0.084543      0.072104     -0.048887
      0.08098      4.06122      2.74820        -0.161321     -0.076698     -0.086712
      3.15425      7.81686      9.37439         0.033509     -0.001551      0.152877
      1.72780      8.13970      4.71699         0.050828     -0.099851      0.049258
      2.52267     10.09939      5.83397        -0.047684     -0.038777     -0.081614
      3.52947     17.18787     20.44932        -0.061387      0.077647      0.059348
      5.51581     13.95983      2.44210         0.047058     -0.081964      0.009750
      5.54996     16.33623      2.94002         0.094564     -0.010298      0.055005
      3.71263     19.50718     -0.22101         0.020483     -0.042781      0.063017
      5.37413     18.03717      3.51893        -0.003320      0.017509      0.056575
      5.66739     20.32307      4.31713         0.012662      0.000783      0.033807
      2.44905      5.74859     -0.30771        -0.156555      0.031490      0.172841
      2.83044      3.41032     -0.16887         0.059000      0.099500     -0.074019
      5.26184      4.05593      3.29327        -0.068005     -0.099773      0.109387
      0.28011      9.97843      1.04301         0.057867     -0.006675      0.050524
      4.80578      8.60926      2.22090         0.101744      0.076068      0.069837
      4.17301     10.88255      2.60583        -0.112709     -0.000663      0.036597
     19.86815     19.47089     15.87949         0.135542      0.064524      0.055874
     16.63776     17.85636     12.41527        -0.046014      0.033678      0.014274
     17.12006     20.25685     12.61863        -0.131288      0.052173     -0.008983
     20.05297      0.34915     16.14343         0.133717     -0.175229      0.105343
     17.16958      0.85844     12.93726         0.011105      0.025662     -0.004661
     17.26888      3.28579     13.21108         0.025696      0.018940      0.025940
      2.28424      6.84597     17.79687        -0.083075      0.061762      0.059169
      1.13303      4.82222     17.26502         0.218359     -0.031242     -0.088646
     18.75267      6.99886     16.90922        -0.294544     -0.039101     -0.022575
      4.38796     10.48197     19.78625        -0.118819      0.212092      0.125964
     -0.14162     10.78037     18.08082         0.116151      0.053303      0.109593
      0.84300     12.73415     19.00139         0.094219     -0.211186     -0.114044
      0.51174      0.04741     12.86400        -0.086057      0.070526     -0.086678
      2.90519     18.11288     15.90788        -0.033177      0.085937     -0.097811
      3.00467     20.55279     16.32372         0.159813      0.002190      0.070548
      0.81233      2.05620     13.16457        -0.138685     -0.091498     -0.181873
      2.82038      1.08423     16.87417         0.161142     -0.035985     -0.010000
      3.45676      3.42297     17.17794         0.125899      0.047964      0.024732
     19.80862      9.02624     13.91482        -0.093599      0.052244      0.028016
     20.62302      6.86137     13.64879         0.002000      0.163285      0.076781
      3.26988      8.20860     14.72758         0.175557      0.095483      0.011967
     17.88536     13.12462     14.20614        -0.185361      0.007258     -0.073829
      1.30400     12.49308     15.43086         0.020566     -0.042995     -0.058421
      0.38320     14.66871     15.51055         0.007807     -0.149353      0.085636
     17.22665      2.30638      8.04087        -0.026394      0.048169     -0.012388
     15.57419      1.11911      3.46025        -0.053949      0.055124      0.010052
     15.36836      3.41391      4.26862        -0.038137     -0.003828     -0.019720
     16.88480      4.63463      8.65386         0.054479     -0.068682     -0.049298
     15.32403      5.03412      4.61869         0.121616      0.100966     -0.121234
     15.53010      7.44987      4.73361        -0.008115      0.025161      0.033097
     19.96937     10.95410     11.25687         0.080227     -0.048442      0.038473
     18.91186      9.02457     10.35342         0.016363     -0.026518      0.126861
     16.38197     11.54470      8.01594        -0.010836      0.006953     -0.113697
      1.43098     14.63539     12.28586         0.125432      0.069658      0.054225
     18.10743     15.03290     10.71131        -0.046527     -0.083806      0.031773
     19.22614     16.97759     11.52336        -0.025103     -0.120688     -0.099222
     18.96888      4.60600      5.38917         0.058963      0.014475      0.000171
     -0.10822      1.04499      8.16559        -0.036899      0.069745      0.072376
     -0.33320      3.33715      9.06094        -0.022469      0.106258      0.254832
     18.93682      6.38999      5.99937        -0.025157      0.017256      0.022014
     -0.53472      5.25957      9.76847        -0.016523     -0.025323      0.135827
     -0.08011      7.62797     10.27014         0.228901     -0.021151      0.068131
     18.25335     13.66243      4.84014        -0.032610      0.032866      0.088374
     18.56330     11.32973      5.31626         0.099018      0.191991      0.003770
      0.69338     12.29818      7.77429         0.172127     -0.075258      0.029390
     17.66992     18.04763      3.93671         0.046461      0.120166     -0.076010
     19.98342     16.36747      7.91172         0.064989     -0.000587     -0.060854
     19.16421     18.63324      7.92043        -0.021676     -0.086139      0.078324
     13.98339     19.11258     10.72657        -0.064477      0.078711      0.053918
     19.55761      0.06516      3.46601        -0.064608     -0.162677     -0.192553
     12.98030      1.24167      2.65792         0.042547     -0.057927     -0.009102
     13.63101     11.37693      4.71472         0.067341     -0.159512     -0.152736
      9.62998      2.56503      2.66927        -0.051980     -0.094352     -0.097743
     10.37657     12.84368      5.11111        -0.079693     -0.051773     -0.064569
     10.43235      5.12055     16.21434         0.080765      0.286193      0.098753
     10.92816     15.51322     17.91806         0.184413     -0.035791     -0.015685
      7.18333      6.40576     15.28456        -0.206228      0.089069     -0.037281
      7.20525     16.69367     17.94089        -0.195560      0.032546     -0.119559
      6.78079      8.87685      7.75509         0.008938      0.042330      0.116412
      7.64321     19.34222      9.28233        -0.010895     -0.130345      0.117179
      3.45034     10.26500      8.46843         0.105827      0.087252      0.114581
      4.07287     20.51170     10.29356         0.014863      0.250012     -0.222732
      1.67529     12.06165      1.96690        -0.096396     -0.059444      0.038466
      1.24922      1.59499      3.34300         0.059745     -0.025633      0.137144
      3.37260     12.93689     20.16706         0.055080      0.139419      0.104996
      4.31364      2.05854      1.68223        -0.050600     -0.213710     -0.244611
     19.11455     15.42159     14.82417        -0.119030      0.072962     -0.044329
     19.91008      4.56942     16.29991        -0.008834     -0.054498      0.142072
      0.46359     17.09477     12.58937         0.142934     -0.112785      0.102061
      1.81467      5.99466     14.27220         0.032715      0.031939     -0.041064
     17.64225     19.80862      5.97962        -0.083031      0.059401      0.112513
     17.03655      8.90585      8.41032         0.051324     -0.074607      0.106370
     19.62704      0.69609      4.25437         0.023067      0.275373      0.315304
     20.28816     10.23057      7.01229         0.066517      0.200274     -0.063306
     12.61460      2.36546      4.71405         0.178605      0.011062     -0.148257
     13.73137      0.98791      0.41215        -0.036317      0.082411      0.196975
     13.27863      9.53318      6.18249         0.060718      0.209924     -0.513526
     14.04093     12.50325      2.65368        -0.081353     -0.186070      0.183523
      9.44752      4.38850      1.17706        -0.076248      0.036570     -0.163357
      9.75790      1.39176      4.72154        -0.067920      0.450586     -0.318924
     10.15533     11.88385      2.94607        -0.048213      0.017512      0.317082
     10.26091     12.96874      7.46951        -0.077374     -0.083942     -0.068595
     10.46472      6.18402     18.34561         0.087372      0.029839     -0.917761
     10.76794      4.88014     13.88384         0.037815      0.077818      0.030815
     10.87352     13.81195     19.56656         0.035152      0.159335     -0.383369
     10.99226     16.53269     15.78990         0.023024     -0.195517      0.174476
      6.96677      8.20848     13.77327        -0.112763     -0.020718      0.078861
      7.30249      5.26085     17.34933        -0.185702      0.430695     -0.170575
      6.83848     15.82264     15.76652         0.112799      0.034987      0.319095
      7.08538     16.74402     20.29554        -0.104603      0.092191      0.091246
      7.05738     10.03791      9.80562         0.011039     -0.046156     -0.065816
      6.94710      8.58572      5.39736        -0.133769      0.158292      0.323341
      7.71952     17.63212     10.92971         0.029419      0.117564     -0.424888
      7.18493     20.36863      7.20010         0.197719     -0.331271      0.287051
      3.42955     11.97531      6.82963         0.096244     -0.191293      0.391994
      3.87248      9.24655     10.59123        -0.023979      0.077728     -0.099062
      3.54714     19.48237      8.22852        -0.086766      0.153483     -0.792728
      4.26137     20.69937     12.63774        -0.048717     -0.003937      0.008337
      2.86877     13.07749      3.75094        -0.217802      0.053262     -0.426351
     -0.06552     11.91712      0.34333         0.141947      0.043869      0.069827
      2.41603      0.13477      4.83076        -0.206770      0.031277     -0.184708
      0.14663      2.25994      1.35101         0.214861     -0.177341      0.256592
      2.63279     14.77707     18.86947         0.060308     -0.123597      0.157326
      4.79159     11.79551      0.42650        -0.014459      0.210950     -0.048591
      3.18453      1.26989     -0.25668         0.064626     -0.070785     -0.048717
      5.67368      1.95505      3.61498        -0.261845     -0.264957     -0.284043
     -0.63895     16.58277     16.24318        -0.431181      0.014853     -0.207818
     17.18826     15.09185     13.46684         0.085651      0.034980      0.045277
     -0.14209      2.82441     17.37501        -0.199240      0.154962     -0.045244
     18.44010      5.61489     14.77288         0.108697     -0.098110      0.088873
     20.76416     18.89113     11.39610         0.358634     -0.152482      0.459990
      1.87820     15.94725     14.10495         0.011203     -0.016031     -0.038692
      0.32045      4.96908     12.75283        -0.755876      0.159574     -0.832296
      3.49175      6.18848     15.93617        -0.417542     -0.430334     -0.547322
     18.28317     20.67026      8.11067        -0.229100      0.010645     -0.296144
     16.40688     19.69647      3.94603         0.157518      0.099583      0.142550
     17.56235      7.24016     10.03159        -0.282346      0.174453     -0.468336
     16.29725      9.82545      6.36104        -0.022870     -0.113036      0.215174
     18.70388      2.60025      3.24558         0.198095     -0.215194      0.482941
     20.74897     20.50487      5.70120        -0.027573      0.063841      0.054811
     18.92332      9.25051      5.33716        -0.448032      0.078309     -0.890386
      0.41809     10.32538      8.90757         1.004368      0.795153      0.866652
     14.11346     17.24663      5.68999        -0.037588     -0.050008      0.048706
     16.06485     16.23387      5.67841        -0.001140     -0.105057      0.084491
     14.68314     15.96379      4.04074        -0.083838     -0.055724     -0.160187
     11.63997     15.26155     11.43895        -0.029371     -0.115997     -0.099480
     11.44137     14.28793      9.49303        -0.097294      0.002177      0.096869
     13.13647     13.79396     10.81911        -0.127100      0.046151      0.098363
     11.91727     18.09835      7.10013         0.015154     -0.061525      0.024607
      9.87589     18.51747      6.38056         0.001058      0.008470     -0.011888
     10.26014     16.85817      7.73524         0.063256     -0.025635     -0.149701
     13.83101     18.51671      0.30024        -0.002604      0.046665      0.029116
     14.22389     16.96863      1.75631        -0.025421     -0.156312      0.159601
     12.29292     17.04992      0.70748         0.033398      0.052003     -0.018763
     11.55997      0.02974     18.22387         0.062786      0.044710      0.000023
     13.11044     -0.68672     19.62752        -0.114924      0.115403      0.024912
     13.00929     19.80829     17.59642         0.027663     -0.110698     -0.001266
      8.08206     19.35105      3.06753         0.141046      0.058939      0.296329
      7.69707     18.54226      1.11476        -0.144341      0.045045     -0.152540
      9.58889     18.08540      2.15590        -0.095832     -0.011589     -0.033358
      7.53901      0.84547     20.04219        -0.136366     -0.162014      0.126159
      6.04670      1.18536     18.45414         0.151635     -0.037438      0.141156
      5.76521     20.86245     19.90856         0.130182     -0.083253     -0.168380
     10.99940      1.26430     13.65068         0.038741     -0.029303     -0.061700
     11.50309     -0.28067     15.10260        -0.198767     -0.042750     -0.008481
      9.54322     20.98750     14.07688         0.054435      0.033740     -0.035213
      9.11836      3.65448      9.55428        -0.033586     -0.038559      0.042224
     10.42542      2.97136     11.18981        -0.042479      0.043082      0.087250
     10.49128      1.99231      9.24170        -0.106825      0.053632      0.141143
      6.05790      2.02123     16.15410        -0.014184      0.020994      0.322916
      5.18087      1.23427     14.35870        -0.126304      0.021559     -0.261713
      7.13160      0.53074     15.00959         0.050584      0.172650     -0.062589
      4.24406      5.13294     11.84849         0.165559     -0.060773     -0.176791
      2.67662      3.64452     11.56540         0.085884      0.121015     -0.016246
      4.33307      3.29490     12.97603        -0.070700      0.083387     -0.248520
      7.38707      4.70682      5.48997        -0.171481      0.109965      0.125372
      7.69136      3.10395      6.90888         0.099631     -0.008056      0.054886
      5.67709      3.52363      6.09235         0.036165     -0.020403      0.114243
     -0.56153      7.23201      4.78754         0.028197      0.003099      0.244449
      0.66735      7.15474      3.04007        -0.027709     -0.028613      0.176988
     -1.18250      5.94931      3.16396         0.107706     -0.123840      0.008891
      2.74346      5.88955      9.92703        -0.320619      0.046902     -0.133455
      1.56283      4.62690      8.62070        -0.212650     -0.148814     -0.132807
      3.69516      4.86345      8.27099         0.093903     -0.048130      0.015610
      6.17414      6.74443      3.44360        -0.034409      0.027823     -0.102852
      4.30461      7.63323      4.18087        -0.065859     -0.163256     -0.107024
      4.86410      5.66286      4.83105         0.030545     -0.094776      0.243685
     -0.44289      8.36198     21.19033         0.146926     -0.239191      0.257822
      1.18493      7.16616     -0.88953         0.012566      0.083643     -0.051302
      0.09559      6.44258      0.81043        -0.016891     -0.099769      0.163560
     19.49212      9.69745     19.29482         0.062398     -0.127152     -0.156382
     19.44041     10.23983     17.16581        -0.005702     -0.027452      0.067967
     18.09381      8.71835     17.95655        -0.093363     -0.045423     -0.048156
      4.82910      8.55794     19.98774         0.173399     -0.026749      0.183206
      3.55435      6.98423     19.31215        -0.266265     -0.205695      0.020269
      4.51599      8.26992     17.84777         0.001361      0.024419     -0.333601
      3.00612     11.79320     14.18786        -0.118857      0.000116     -0.008663
      2.71827     11.21277     16.28702         0.070633      0.061954     -0.047812
      4.12850     10.14266     15.01918        -0.169736     -0.088635     -0.046454
     17.12410     11.27606     13.78634         0.037279      0.132682      0.033497
     18.54994      9.97797     12.81727        -0.074207      0.005607     -0.007636
     18.12517      9.75021     14.94801         0.001199     -0.053407      0.157657
     16.31972     14.30173      9.72874         0.041082     -0.003912     -0.001302
     18.05271     14.84330      8.48895         0.087401     -0.075024     -0.027435
     16.45696     13.65459      7.64029         0.160266     -0.011344     -0.086909
      1.93766     12.75807     12.10032         0.147830      0.009007      0.091612
      0.52981     11.22355     11.64897        -0.116558     -0.060150     -0.109926
      1.40847     12.43055     10.03204        -0.126171      0.007582     -0.307314
      1.08839     15.89568      6.47914        -0.018320      0.069836      0.042353
      0.48660     15.44607      8.55789         0.086701     -0.001246     -0.042958
      1.99011     14.23113      7.55956        -0.093743      0.013531     -0.088882
     18.37436     16.60998      2.36999         0.121942      0.079759      0.090814
     19.67383     14.97570      3.00925         0.124740     -0.006963      0.150782
     17.52147     14.89015      3.38573        -0.167187      0.021417      0.023776
 -----------------------------------------------------------------------------------
    total drift:                                0.010291     -0.004853      0.000992


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =     -4580.6510005570 eV

  energy  without entropy=    -4580.8030235096  energy(sigma->0) =    -4580.70167487
 
 d Force = 0.1248626E-01[-0.778E-03, 0.258E-01]  d Energy = 0.1229335E-01 0.193E-03
 d Force = 0.1330524E+03[ 0.133E+03, 0.133E+03]  d Ewald  = 0.1330524E+03-0.169E-04


--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration   94(   1)  ---------------------------------------



 eigenvalue-minimisations  :  3152
 total energy-change (2. order) : 0.1035303E+01  (-0.6774347E+02)
 number of electron    2498.0000021 magnetization 
 augmentation part      162.7645720 magnetization 

  free energy =  -0.457961569828E+04  energy without entropy=  -0.457976675608E+04


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----------------------------------------- Iteration   94(   2)  ---------------------------------------



 eigenvalue-minimisations  :  3512
 total energy-change (2. order) :-0.1489971E+01  (-0.1750529E+01)
 number of electron    2498.0000021 magnetization 
 augmentation part      162.8337196 magnetization 

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.8513
  0.8513

  free energy =  -0.458110566928E+04  energy without entropy=  -0.458125826285E+04


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----------------------------------------- Iteration   94(   3)  ---------------------------------------